----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:50:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.953429690365065 0.000000000000000 0.000000000000000 b 0.000000000000000 27.150945830000001 0.000000000000000 c -2.944386088426227 0.000000000000000 5.178503693335536 Atomic positions (fractional): *1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 *3 O 0.56312105075172 0.71040528434809 0.50717288876219 15.999 4 O 0.43687894924828 0.21040528434809 0.99282711123781 15.999 5 O 0.43687894924828 0.28959471565192 0.49282711123781 15.999 6 O 0.56312105075172 0.78959471565191 0.00717288876219 15.999 *7 O 0.96511795463479 0.55705841073273 0.78519538511581 15.999 8 O 0.03488204536521 0.05705841073274 0.71480461488419 15.999 9 O 0.03488204536521 0.44294158926727 0.21480461488419 15.999 10 O 0.96511795463479 0.94294158926727 0.28519538511581 15.999 *11 O 0.04447844863956 0.67074899798520 0.21122785272968 15.999 12 O 0.95552155136044 0.17074899798520 0.28877214727032 15.999 13 O 0.95552155136044 0.32925100201480 0.78877214727032 15.999 14 O 0.04447844863956 0.82925100201480 0.71122785272968 15.999 *15 O 0.31942895852794 0.67020470522194 0.78198716378596 15.999 16 O 0.68057104147207 0.17020470522194 0.71801283621404 15.999 17 O 0.68057104147207 0.32979529477806 0.21801283621404 15.999 18 O 0.31942895852794 0.82979529477806 0.28198716378596 15.999 *19 O 0.68193526190879 0.55684158739107 0.21406604190842 15.999 20 O 0.31806473809121 0.05684158739107 0.28593395809158 15.999 21 O 0.31806473809121 0.44315841260893 0.78593395809158 15.999 22 O 0.68193526190879 0.94315841260893 0.71406604190842 15.999 *23 O 0.47109547209760 0.60485766176805 0.49978730864513 15.999 24 O 0.52890452790240 0.10485766176805 0.00021269135487 15.999 25 O 0.52890452790240 0.39514233823195 0.50021269135487 15.999 26 O 0.47109547209760 0.89514233823195 0.99978730864513 15.999 *27 Na 0.15050286825789 0.55405186893595 0.50181503233961 22.990 *28 Na 0.75186325085338 0.61097580755513 0.96507237227178 22.990 *29 Na 0.73312240793140 0.00034520737218 0.46526822937719 22.990 30 Na 0.26687759206860 0.50034520737218 0.03473177062281 22.990 31 Na 0.26687759206860 0.99965479262782 0.53473177062281 22.990 32 Na 0.73312240793140 0.49965479262782 0.96526822937719 22.990 *33 Na 0.28234151144691 0.88783406475737 0.53523322193515 22.990 34 Na 0.71765848855309 0.38783406475737 0.96476677806485 22.990 35 Na 0.71765848855309 0.11216593524263 0.46476677806485 22.990 36 Na 0.28234151144691 0.61216593524263 0.03523322193515 22.990 37 Na 0.24813674914662 0.38902419244487 0.03492762772822 22.990 38 Na 0.75186325085338 0.88902419244487 0.46507237227178 22.990 *39 Na 0.28558645512283 0.72416686634380 0.05960851219252 22.990 40 Na 0.71441354487717 0.22416686634380 0.44039148780748 22.990 41 Na 0.71441354487717 0.27583313365620 0.94039148780748 22.990 42 Na 0.28558645512283 0.77583313365620 0.55960851219252 22.990 *43 Na 0.86874311861691 0.66086564592449 0.50605420045304 22.990 44 Na 0.13125688138309 0.16086564592449 0.99394579954696 22.990 *45 Na 0.71006914266093 0.78176386583383 0.44955999875325 22.990 46 Na 0.86874311861691 0.83913435407551 0.00605420045304 22.990 47 Na 0.13125688138309 0.33913435407551 0.49394579954696 22.990 48 Na 0.84949713174211 0.05405186893595 0.99818496766039 22.990 49 Na 0.84949713174211 0.44594813106405 0.49818496766039 22.990 50 Na 0.15050286825789 0.94594813106405 0.00181503233961 22.990 51 Na 0.71006914266093 0.71823613416617 0.94955999875325 22.990 52 Na 0.28993085733907 0.21823613416617 0.55044000124675 22.990 53 Na 0.28993085733907 0.28176386583383 0.05044000124675 22.990 54 Na 0.24813674914662 0.11097580755513 0.53492762772822 22.990 *55 Al 0.34424975196085 0.66522082373087 0.49916461075027 26.982 56 Al 0.65575024803915 0.16522082373087 0.00083538924974 26.982 57 Al 0.65575024803915 0.33477917626913 0.50083538924974 26.982 58 Al 0.34424975196085 0.83477917626913 0.99916461075026 26.982 *59 Al 0.66503695540565 0.55496938313944 0.49959610751755 26.982 60 Al 0.33496304459435 0.05496938313944 0.00040389248245 26.982 61 Al 0.33496304459435 0.44503061686056 0.50040389248245 26.982 62 Al 0.66503695540565 0.94503061686056 0.99959610751755 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.953429690365065 0.000000000000000 0.000000000000000 b 0.000000000000000 27.150945830000001 0.000000000000000 c -2.944386088426227 0.000000000000000 5.178503693335536 Atomic positions (fractional): *1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 1 2 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 2 *3 O 0.56312105075172 0.71040528434809 0.50717288876219 15.999 > 3 4 O 0.43687894924828 0.21040528434809 0.99282711123781 15.999 > 4 5 O 0.43687894924828 0.28959471565192 0.49282711123781 15.999 > 5 6 O 0.56312105075172 0.78959471565191 0.00717288876219 15.999 > 6 *7 O 0.96511795463479 0.55705841073273 0.78519538511581 15.999 > 7 8 O 0.03488204536521 0.05705841073274 0.71480461488419 15.999 > 8 9 O 0.03488204536521 0.44294158926727 0.21480461488419 15.999 > 9 10 O 0.96511795463479 0.94294158926727 0.28519538511581 15.999 > 10 *11 O 0.04447844863956 0.67074899798520 0.21122785272968 15.999 > 11 12 O 0.95552155136044 0.17074899798520 0.28877214727032 15.999 > 12 13 O 0.95552155136044 0.32925100201480 0.78877214727032 15.999 > 13 14 O 0.04447844863956 0.82925100201480 0.71122785272968 15.999 > 14 *15 O 0.31942895852794 0.67020470522194 0.78198716378596 15.999 > 15 16 O 0.68057104147207 0.17020470522194 0.71801283621404 15.999 > 16 17 O 0.68057104147207 0.32979529477806 0.21801283621404 15.999 > 17 18 O 0.31942895852794 0.82979529477806 0.28198716378596 15.999 > 18 *19 O 0.68193526190879 0.55684158739107 0.21406604190842 15.999 > 19 20 O 0.31806473809121 0.05684158739107 0.28593395809158 15.999 > 20 21 O 0.31806473809121 0.44315841260893 0.78593395809158 15.999 > 21 22 O 0.68193526190879 0.94315841260893 0.71406604190842 15.999 > 22 *23 O 0.47109547209760 0.60485766176805 0.49978730864513 15.999 > 23 24 O 0.52890452790240 0.10485766176805 0.00021269135487 15.999 > 24 25 O 0.52890452790240 0.39514233823195 0.50021269135487 15.999 > 25 26 O 0.47109547209760 0.89514233823195 0.99978730864513 15.999 > 26 *27 Na 0.15050286825789 0.55405186893595 0.50181503233961 22.990 > 27 *28 Na 0.75186325085338 0.61097580755513 0.96507237227178 22.990 > 28 *29 Na 0.73312240793140 0.00034520737218 0.46526822937719 22.990 > 29 30 Na 0.26687759206860 0.50034520737218 0.03473177062281 22.990 > 30 31 Na 0.26687759206860 0.99965479262782 0.53473177062281 22.990 > 31 32 Na 0.73312240793140 0.49965479262782 0.96526822937719 22.990 > 32 *33 Na 0.28234151144691 0.88783406475737 0.53523322193515 22.990 > 33 34 Na 0.71765848855309 0.38783406475737 0.96476677806485 22.990 > 34 35 Na 0.71765848855309 0.11216593524263 0.46476677806485 22.990 > 35 36 Na 0.28234151144691 0.61216593524263 0.03523322193515 22.990 > 36 37 Na 0.24813674914662 0.38902419244487 0.03492762772822 22.990 > 37 38 Na 0.75186325085338 0.88902419244487 0.46507237227178 22.990 > 38 *39 Na 0.28558645512283 0.72416686634380 0.05960851219252 22.990 > 39 40 Na 0.71441354487717 0.22416686634380 0.44039148780748 22.990 > 40 41 Na 0.71441354487717 0.27583313365620 0.94039148780748 22.990 > 41 42 Na 0.28558645512283 0.77583313365620 0.55960851219252 22.990 > 42 *43 Na 0.86874311861691 0.66086564592449 0.50605420045304 22.990 > 43 44 Na 0.13125688138309 0.16086564592449 0.99394579954696 22.990 > 44 *45 Na 0.71006914266093 0.78176386583383 0.44955999875325 22.990 > 45 46 Na 0.86874311861691 0.83913435407551 0.00605420045304 22.990 > 46 47 Na 0.13125688138309 0.33913435407551 0.49394579954696 22.990 > 47 48 Na 0.84949713174211 0.05405186893595 0.99818496766039 22.990 > 48 49 Na 0.84949713174211 0.44594813106405 0.49818496766039 22.990 > 49 50 Na 0.15050286825789 0.94594813106405 0.00181503233961 22.990 > 50 51 Na 0.71006914266093 0.71823613416617 0.94955999875325 22.990 > 51 52 Na 0.28993085733907 0.21823613416617 0.55044000124675 22.990 > 52 53 Na 0.28993085733907 0.28176386583383 0.05044000124675 22.990 > 53 54 Na 0.24813674914662 0.11097580755513 0.53492762772822 22.990 > 54 *55 Al 0.34424975196085 0.66522082373087 0.49916461075027 26.982 > 55 56 Al 0.65575024803915 0.16522082373087 0.00083538924974 26.982 > 56 57 Al 0.65575024803915 0.33477917626913 0.50083538924974 26.982 > 57 58 Al 0.34424975196085 0.83477917626913 0.99916461075026 26.982 > 58 *59 Al 0.66503695540565 0.55496938313944 0.49959610751755 26.982 > 59 60 Al 0.33496304459435 0.05496938313944 0.00040389248245 26.982 > 60 61 Al 0.33496304459435 0.44503061686056 0.50040389248245 26.982 > 61 62 Al 0.66503695540565 0.94503061686056 0.99959610751755 26.982 > 62 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.906859380730131 0.000000000000000 0.000000000000000 b 0.000000000000000 27.150945830000001 0.000000000000000 c -2.944386088426227 0.000000000000000 5.178503693335536 Atomic positions (fractional): *1 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 1 2 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 1 3 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 2 4 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 2 *5 O 0.28156052537586 0.71040528434809 0.50717288876219 15.999 > 3 6 O 0.78156052537586 0.71040528434809 0.50717288876219 15.999 > 3 7 O 0.21843947462414 0.21040528434809 0.99282711123781 15.999 > 4 8 O 0.71843947462414 0.21040528434809 0.99282711123781 15.999 > 4 9 O 0.21843947462414 0.28959471565192 0.49282711123781 15.999 > 5 10 O 0.71843947462414 0.28959471565192 0.49282711123781 15.999 > 5 11 O 0.28156052537586 0.78959471565191 0.00717288876219 15.999 > 6 12 O 0.78156052537586 0.78959471565191 0.00717288876219 15.999 > 6 *13 O 0.48255897731740 0.55705841073273 0.78519538511581 15.999 > 7 14 O 0.98255897731740 0.55705841073273 0.78519538511581 15.999 > 7 15 O 0.01744102268260 0.05705841073274 0.71480461488419 15.999 > 8 16 O 0.51744102268260 0.05705841073274 0.71480461488419 15.999 > 8 17 O 0.01744102268260 0.44294158926727 0.21480461488419 15.999 > 9 18 O 0.51744102268260 0.44294158926727 0.21480461488419 15.999 > 9 19 O 0.48255897731740 0.94294158926727 0.28519538511581 15.999 > 10 20 O 0.98255897731740 0.94294158926727 0.28519538511581 15.999 > 10 *21 O 0.02223922431978 0.67074899798520 0.21122785272968 15.999 > 11 22 O 0.52223922431978 0.67074899798520 0.21122785272968 15.999 > 11 23 O 0.47776077568022 0.17074899798520 0.28877214727032 15.999 > 12 24 O 0.97776077568022 0.17074899798520 0.28877214727032 15.999 > 12 25 O 0.47776077568022 0.32925100201480 0.78877214727032 15.999 > 13 26 O 0.97776077568022 0.32925100201480 0.78877214727032 15.999 > 13 27 O 0.02223922431978 0.82925100201480 0.71122785272968 15.999 > 14 28 O 0.52223922431978 0.82925100201480 0.71122785272968 15.999 > 14 *29 O 0.15971447926397 0.67020470522194 0.78198716378596 15.999 > 15 30 O 0.65971447926397 0.67020470522194 0.78198716378596 15.999 > 15 31 O 0.34028552073603 0.17020470522194 0.71801283621404 15.999 > 16 32 O 0.84028552073603 0.17020470522194 0.71801283621404 15.999 > 16 33 O 0.34028552073603 0.32979529477806 0.21801283621404 15.999 > 17 34 O 0.84028552073603 0.32979529477806 0.21801283621404 15.999 > 17 35 O 0.15971447926397 0.82979529477806 0.28198716378596 15.999 > 18 36 O 0.65971447926397 0.82979529477806 0.28198716378596 15.999 > 18 *37 O 0.34096763095439 0.55684158739107 0.21406604190842 15.999 > 19 38 O 0.84096763095439 0.55684158739107 0.21406604190842 15.999 > 19 39 O 0.15903236904561 0.05684158739107 0.28593395809158 15.999 > 20 40 O 0.65903236904561 0.05684158739107 0.28593395809158 15.999 > 20 41 O 0.15903236904561 0.44315841260893 0.78593395809158 15.999 > 21 42 O 0.65903236904561 0.44315841260893 0.78593395809158 15.999 > 21 43 O 0.34096763095439 0.94315841260893 0.71406604190842 15.999 > 22 44 O 0.84096763095439 0.94315841260893 0.71406604190842 15.999 > 22 *45 O 0.23554773604880 0.60485766176805 0.49978730864513 15.999 > 23 46 O 0.73554773604880 0.60485766176805 0.49978730864513 15.999 > 23 47 O 0.26445226395120 0.10485766176805 0.00021269135487 15.999 > 24 48 O 0.76445226395120 0.10485766176805 0.00021269135487 15.999 > 24 49 O 0.26445226395120 0.39514233823195 0.50021269135487 15.999 > 25 50 O 0.76445226395120 0.39514233823195 0.50021269135487 15.999 > 25 51 O 0.23554773604880 0.89514233823195 0.99978730864513 15.999 > 26 52 O 0.73554773604880 0.89514233823195 0.99978730864513 15.999 > 26 *53 Na 0.07525143412894 0.55405186893595 0.50181503233961 22.990 > 27 54 Na 0.57525143412894 0.55405186893595 0.50181503233961 22.990 > 27 *55 Na 0.37593162542669 0.61097580755513 0.96507237227178 22.990 > 28 56 Na 0.87593162542669 0.61097580755513 0.96507237227178 22.990 > 28 *57 Na 0.36656120396570 0.00034520737218 0.46526822937719 22.990 > 29 58 Na 0.86656120396570 0.00034520737218 0.46526822937719 22.990 > 29 59 Na 0.13343879603430 0.50034520737218 0.03473177062281 22.990 > 30 60 Na 0.63343879603430 0.50034520737218 0.03473177062281 22.990 > 30 61 Na 0.13343879603430 0.99965479262782 0.53473177062281 22.990 > 31 62 Na 0.63343879603430 0.99965479262782 0.53473177062281 22.990 > 31 63 Na 0.36656120396570 0.49965479262782 0.96526822937719 22.990 > 32 64 Na 0.86656120396570 0.49965479262782 0.96526822937719 22.990 > 32 *65 Na 0.14117075572345 0.88783406475737 0.53523322193515 22.990 > 33 66 Na 0.64117075572345 0.88783406475737 0.53523322193515 22.990 > 33 67 Na 0.35882924427655 0.38783406475737 0.96476677806485 22.990 > 34 68 Na 0.85882924427655 0.38783406475737 0.96476677806485 22.990 > 34 69 Na 0.35882924427655 0.11216593524263 0.46476677806485 22.990 > 35 70 Na 0.85882924427655 0.11216593524263 0.46476677806485 22.990 > 35 71 Na 0.14117075572345 0.61216593524263 0.03523322193515 22.990 > 36 72 Na 0.64117075572345 0.61216593524263 0.03523322193515 22.990 > 36 73 Na 0.12406837457331 0.38902419244487 0.03492762772822 22.990 > 37 74 Na 0.62406837457331 0.38902419244487 0.03492762772822 22.990 > 37 75 Na 0.37593162542669 0.88902419244487 0.46507237227178 22.990 > 38 76 Na 0.87593162542669 0.88902419244487 0.46507237227178 22.990 > 38 *77 Na 0.14279322756141 0.72416686634380 0.05960851219252 22.990 > 39 78 Na 0.64279322756141 0.72416686634380 0.05960851219252 22.990 > 39 79 Na 0.35720677243859 0.22416686634380 0.44039148780748 22.990 > 40 80 Na 0.85720677243859 0.22416686634380 0.44039148780748 22.990 > 40 81 Na 0.35720677243859 0.27583313365620 0.94039148780748 22.990 > 41 82 Na 0.85720677243859 0.27583313365620 0.94039148780748 22.990 > 41 83 Na 0.14279322756141 0.77583313365620 0.55960851219252 22.990 > 42 84 Na 0.64279322756141 0.77583313365620 0.55960851219252 22.990 > 42 *85 Na 0.43437155930846 0.66086564592449 0.50605420045304 22.990 > 43 86 Na 0.93437155930846 0.66086564592449 0.50605420045304 22.990 > 43 87 Na 0.06562844069154 0.16086564592449 0.99394579954696 22.990 > 44 88 Na 0.56562844069154 0.16086564592449 0.99394579954696 22.990 > 44 *89 Na 0.35503457133046 0.78176386583383 0.44955999875325 22.990 > 45 90 Na 0.85503457133046 0.78176386583383 0.44955999875325 22.990 > 45 91 Na 0.43437155930846 0.83913435407551 0.00605420045304 22.990 > 46 92 Na 0.93437155930846 0.83913435407551 0.00605420045304 22.990 > 46 93 Na 0.06562844069154 0.33913435407551 0.49394579954696 22.990 > 47 94 Na 0.56562844069154 0.33913435407551 0.49394579954696 22.990 > 47 95 Na 0.42474856587106 0.05405186893595 0.99818496766039 22.990 > 48 96 Na 0.92474856587106 0.05405186893595 0.99818496766039 22.990 > 48 97 Na 0.42474856587106 0.44594813106405 0.49818496766039 22.990 > 49 98 Na 0.92474856587106 0.44594813106405 0.49818496766039 22.990 > 49 99 Na 0.07525143412894 0.94594813106405 0.00181503233961 22.990 > 50 100 Na 0.57525143412894 0.94594813106405 0.00181503233961 22.990 > 50 101 Na 0.35503457133046 0.71823613416617 0.94955999875325 22.990 > 51 102 Na 0.85503457133046 0.71823613416617 0.94955999875325 22.990 > 51 103 Na 0.14496542866954 0.21823613416617 0.55044000124675 22.990 > 52 104 Na 0.64496542866954 0.21823613416617 0.55044000124675 22.990 > 52 105 Na 0.14496542866954 0.28176386583383 0.05044000124675 22.990 > 53 106 Na 0.64496542866954 0.28176386583383 0.05044000124675 22.990 > 53 107 Na 0.12406837457331 0.11097580755513 0.53492762772822 22.990 > 54 108 Na 0.62406837457331 0.11097580755513 0.53492762772822 22.990 > 54 *109 Al 0.17212487598043 0.66522082373087 0.49916461075027 26.982 > 55 110 Al 0.67212487598043 0.66522082373087 0.49916461075027 26.982 > 55 111 Al 0.32787512401958 0.16522082373087 0.00083538924974 26.982 > 56 112 Al 0.82787512401957 0.16522082373087 0.00083538924974 26.982 > 56 113 Al 0.32787512401958 0.33477917626913 0.50083538924974 26.982 > 57 114 Al 0.82787512401957 0.33477917626913 0.50083538924974 26.982 > 57 115 Al 0.17212487598043 0.83477917626913 0.99916461075026 26.982 > 58 116 Al 0.67212487598043 0.83477917626913 0.99916461075026 26.982 > 58 *117 Al 0.33251847770283 0.55496938313944 0.49959610751755 26.982 > 59 118 Al 0.83251847770283 0.55496938313944 0.49959610751755 26.982 > 59 119 Al 0.16748152229717 0.05496938313944 0.00040389248245 26.982 > 60 120 Al 0.66748152229717 0.05496938313944 0.00040389248245 26.982 > 60 121 Al 0.16748152229717 0.44503061686056 0.50040389248245 26.982 > 61 122 Al 0.66748152229717 0.44503061686056 0.50040389248245 26.982 > 61 123 Al 0.33251847770283 0.94503061686056 0.99959610751755 26.982 > 62 124 Al 0.83251847770283 0.94503061686056 0.99959610751755 26.982 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7129225 0.0000000 0.0045296 0.0000000 2.7735487 0.0000000 0.0045280 0.0000000 2.7327501 -------------------------- Born effective charges -------------------------- 1 O -1.7450298 -0.6272189 0.0014018 -0.7499347 -2.3172434 0.0025246 0.0014568 -0.0006076 -1.3256770 2 O -1.7450298 0.6272189 0.0014018 0.7499347 -2.3172434 -0.0025246 0.0014568 0.0006076 -1.3256770 3 O -1.7652666 -0.3068832 0.0294322 -0.3020663 -1.8291797 0.0275097 0.0214019 -0.0001266 -1.5096479 4 O -1.7652666 0.3068832 0.0294322 0.3020663 -1.8291797 -0.0275097 0.0214019 0.0001266 -1.5096479 5 O -1.7652666 -0.3068832 0.0294322 -0.3020663 -1.8291797 0.0275097 0.0214019 -0.0001266 -1.5096479 6 O -1.7652666 0.3068832 0.0294322 0.3020663 -1.8291797 -0.0275097 0.0214019 0.0001266 -1.5096479 7 O -1.6899375 -0.0164022 -0.2547546 0.0025665 -1.5446955 -0.0119037 -0.2285971 -0.0088882 -1.9218613 8 O -1.6899375 0.0164022 -0.2547546 -0.0025665 -1.5446955 0.0119037 -0.2285971 0.0088882 -1.9218613 9 O -1.6899375 -0.0164022 -0.2547546 0.0025665 -1.5446955 -0.0119037 -0.2285971 -0.0088882 -1.9218613 10 O -1.6899375 0.0164022 -0.2547546 -0.0025665 -1.5446955 0.0119037 -0.2285971 0.0088882 -1.9218613 11 O -1.7350144 -0.0108668 -0.2899123 -0.0041649 -1.4905066 0.0712636 -0.2772575 0.0110828 -1.9569493 12 O -1.7350144 0.0108668 -0.2899123 0.0041649 -1.4905066 -0.0712636 -0.2772575 -0.0110828 -1.9569493 13 O -1.7350144 -0.0108668 -0.2899123 -0.0041649 -1.4905066 0.0712636 -0.2772575 0.0110828 -1.9569493 14 O -1.7350144 0.0108668 -0.2899123 0.0041649 -1.4905066 -0.0712636 -0.2772575 -0.0110828 -1.9569493 15 O -1.7011811 -0.0166503 0.3009428 -0.0113834 -1.5211568 -0.0706798 0.2812963 -0.0307220 -1.9283066 16 O -1.7011811 0.0166503 0.3009428 0.0113834 -1.5211568 0.0706798 0.2812963 0.0307220 -1.9283066 17 O -1.7011811 -0.0166503 0.3009428 -0.0113834 -1.5211568 -0.0706798 0.2812963 -0.0307220 -1.9283066 18 O -1.7011811 0.0166503 0.3009428 0.0113834 -1.5211568 0.0706798 0.2812963 0.0307220 -1.9283066 19 O -1.6929601 -0.0154190 0.2496756 0.0008360 -1.5447173 0.0129764 0.2246458 0.0064930 -1.9224175 20 O -1.6929601 0.0154190 0.2496756 -0.0008360 -1.5447173 -0.0129764 0.2246458 -0.0064930 -1.9224175 21 O -1.6929601 -0.0154190 0.2496756 0.0008360 -1.5447173 0.0129764 0.2246458 0.0064930 -1.9224175 22 O -1.6929601 0.0154190 0.2496756 -0.0008360 -1.5447173 -0.0129764 0.2246458 -0.0064930 -1.9224175 23 O -1.7160967 0.6164783 -0.0027377 0.7068346 -2.3169146 -0.0010816 -0.0029983 0.0011159 -1.3223393 24 O -1.7160967 -0.6164783 -0.0027377 -0.7068346 -2.3169146 0.0010816 -0.0029983 -0.0011159 -1.3223393 25 O -1.7160967 0.6164783 -0.0027377 0.7068346 -2.3169146 -0.0010816 -0.0029983 0.0011159 -1.3223393 26 O -1.7160967 -0.6164783 -0.0027377 -0.7068346 -2.3169146 0.0010816 -0.0029983 -0.0011159 -1.3223393 27 Na 1.1175240 -0.0110938 0.0013346 -0.0060064 1.1032088 -0.0006365 0.0015451 0.0009684 0.9626877 28 Na 0.9533757 -0.0359419 0.0134875 -0.0423113 0.9504596 -0.0028778 0.0060925 -0.0131677 1.0371949 29 Na 0.9541214 -0.0356894 0.0008448 -0.0497954 0.9601504 -0.0008423 0.0015999 0.0008114 1.0264921 30 Na 0.9541214 0.0356894 0.0008448 0.0497954 0.9601504 0.0008423 0.0015999 -0.0008114 1.0264921 31 Na 0.9541214 -0.0356894 0.0008448 -0.0497954 0.9601504 -0.0008423 0.0015999 0.0008114 1.0264921 32 Na 0.9541214 0.0356894 0.0008448 0.0497954 0.9601504 0.0008423 0.0015999 -0.0008114 1.0264921 33 Na 0.9499590 0.0376148 -0.0070917 0.0487174 0.9463138 -0.0115528 -0.0012518 -0.0119190 1.0374583 34 Na 0.9499590 -0.0376148 -0.0070917 -0.0487174 0.9463138 0.0115528 -0.0012518 0.0119190 1.0374583 35 Na 0.9499590 0.0376148 -0.0070917 0.0487174 0.9463138 -0.0115528 -0.0012518 -0.0119190 1.0374583 36 Na 0.9499590 -0.0376148 -0.0070917 -0.0487174 0.9463138 0.0115528 -0.0012518 0.0119190 1.0374583 37 Na 0.9533757 -0.0359419 0.0134875 -0.0423113 0.9504596 -0.0028778 0.0060925 -0.0131677 1.0371949 38 Na 0.9533757 0.0359419 0.0134875 0.0423113 0.9504596 0.0028778 0.0060925 0.0131677 1.0371949 39 Na 0.9270155 0.0804331 -0.0633519 0.0735604 1.1275590 -0.0249238 -0.0751068 -0.0156575 0.9947766 40 Na 0.9270155 -0.0804331 -0.0633519 -0.0735604 1.1275590 0.0249238 -0.0751068 0.0156575 0.9947766 41 Na 0.9270155 0.0804331 -0.0633519 0.0735604 1.1275590 -0.0249238 -0.0751068 -0.0156575 0.9947766 42 Na 0.9270155 -0.0804331 -0.0633519 -0.0735604 1.1275590 0.0249238 -0.0751068 0.0156575 0.9947766 43 Na 1.1201901 0.0577623 -0.0016624 0.0449307 0.9672215 -0.0149447 -0.0049256 -0.0104318 0.9510329 44 Na 1.1201901 -0.0577623 -0.0016624 -0.0449307 0.9672215 0.0149447 -0.0049256 0.0104318 0.9510329 45 Na 0.9249164 0.0254496 0.0284471 0.0121422 0.9750217 -0.0383304 0.0492651 -0.0157285 0.9612817 46 Na 1.1201901 -0.0577623 -0.0016624 -0.0449307 0.9672215 0.0149447 -0.0049256 0.0104318 0.9510329 47 Na 1.1201901 0.0577623 -0.0016624 0.0449307 0.9672215 -0.0149447 -0.0049256 -0.0104318 0.9510329 48 Na 1.1175240 0.0110938 0.0013346 0.0060064 1.1032088 0.0006365 0.0015451 -0.0009684 0.9626877 49 Na 1.1175240 -0.0110938 0.0013346 -0.0060064 1.1032088 -0.0006365 0.0015451 0.0009684 0.9626877 50 Na 1.1175240 0.0110938 0.0013346 0.0060064 1.1032088 0.0006365 0.0015451 -0.0009684 0.9626877 51 Na 0.9249164 -0.0254496 0.0284471 -0.0121422 0.9750217 0.0383304 0.0492651 0.0157285 0.9612817 52 Na 0.9249164 0.0254496 0.0284471 0.0121422 0.9750217 -0.0383304 0.0492651 -0.0157285 0.9612817 53 Na 0.9249164 -0.0254496 0.0284471 -0.0121422 0.9750217 0.0383304 0.0492651 0.0157285 0.9612817 54 Na 0.9533757 0.0359419 0.0134875 0.0423113 0.9504596 0.0028778 0.0060925 0.0131677 1.0371949 55 Al 2.0637869 0.0019786 -0.0047345 -0.0349840 2.1011657 -0.0107662 0.0036523 0.0280412 2.1015726 56 Al 2.0637869 -0.0019786 -0.0047345 0.0349840 2.1011657 0.0107662 0.0036523 -0.0280412 2.1015726 57 Al 2.0637869 0.0019786 -0.0047345 -0.0349840 2.1011657 -0.0107662 0.0036523 0.0280412 2.1015726 58 Al 2.0637869 -0.0019786 -0.0047345 0.0349840 2.1011657 0.0107662 0.0036523 -0.0280412 2.1015726 59 Al 2.1620825 0.0185861 -0.0006203 -0.0279405 2.2746916 -0.0022712 -0.0000902 0.0025375 2.1518634 60 Al 2.1620825 -0.0185861 -0.0006203 0.0279405 2.2746916 0.0022712 -0.0000902 -0.0025375 2.1518634 61 Al 2.1620825 0.0185861 -0.0006203 -0.0279405 2.2746916 -0.0022712 -0.0000902 0.0025375 2.1518634 62 Al 2.1620825 -0.0185861 -0.0006203 0.0279405 2.2746916 0.0022712 -0.0000902 -0.0025375 2.1518634 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 372/372 Permutation basis: 34782/34782 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8844 Number of blocks in projector: 8844 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1924 Use submatrix version of eigh solver. (1) Block: 500 / 1924 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1924 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 1924 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1924 / 1924 (1) 400 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1924 Use submatrix version of eigh solver. (1) Block: 500 / 1924 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1924 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 1924 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1924 / 1924 (1) 400 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1924 Use submatrix version of eigh solver. (1) Block: 500 / 1924 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 1924 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 1924 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1924 / 1924 (1) 409 eigenvectors found. (1) Complementary block size: 94 (1) Compute compressed projector. (1) Use standard solver. (1) 63 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8844, 8701), data: False |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 259), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 259), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 259), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1924, 1893), data: False |-- (1924, 63), data: (1924, 94) @ (94, 63) |-- (424, 409), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (1924, 1892), data: False |-- (1924, 76), data: (1924, 108) @ (108, 76) |-- (424, 400), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (1924, 1892), data: False |-- (1924, 76), data: (1924, 108) @ (108, 76) |-- (424, 400), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True ----- Solver_atoms: 1 -- 124 / 124 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1920 - Time: 2.626 Solver_block: 200 / 1920 - Time: 2.275 Solver_block: 300 / 1920 - Time: 2.280 Solver_block: 400 / 1920 - Time: 2.278 Solver_block: 500 / 1920 - Time: 2.278 Solver_block: 600 / 1920 - Time: 2.282 Solver_block: 700 / 1920 - Time: 2.278 Solver_block: 800 / 1920 - Time: 2.274 Solver_block: 900 / 1920 - Time: 2.291 Solver_block: 1000 / 1920 - Time: 2.284 Solver_block: 1100 / 1920 - Time: 2.281 Solver_block: 1200 / 1920 - Time: 2.285 Solver_block: 1300 / 1920 - Time: 2.286 Solver_block: 1400 / 1920 - Time: 2.285 Solver_block: 1500 / 1920 - Time: 2.279 Solver_block: 1600 / 1920 - Time: 2.284 Solver_block: 1700 / 1920 - Time: 2.273 Solver_block: 1800 / 1920 - Time: 2.282 Solver_block: 1900 / 1920 - Time: 2.277 Solver_block: 1920 / 1920 - Time: 0.709 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 45.598 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 372/372 Permutation basis: 34782/34782 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8844 Number of blocks in projector: 8844 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1924 Use submatrix version of eigh solver. (1) Block: 500 / 1924 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1924 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 1924 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1924 / 1924 (1) 400 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1924 Use submatrix version of eigh solver. (1) Block: 500 / 1924 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1924 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 1924 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1924 / 1924 (1) 400 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1924 Use submatrix version of eigh solver. (1) Block: 500 / 1924 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 1924 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 1924 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1924 / 1924 (1) 409 eigenvectors found. (1) Complementary block size: 94 (1) Compute compressed projector. (1) Use standard solver. (1) 63 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8844, 8701), data: False |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 259), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 259), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 259), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1924, 1893), data: False |-- (1924, 63), data: (1924, 94) @ (94, 63) |-- (424, 409), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (1924, 1892), data: False |-- (1924, 76), data: (1924, 108) @ (108, 76) |-- (424, 400), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (1924, 1892), data: False |-- (1924, 76), data: (1924, 108) @ (108, 76) |-- (424, 400), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:52:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:52:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.953429690365065 0.000000000000000 0.000000000000000 b 0.000000000000000 27.150945830000001 0.000000000000000 c -2.944386088426227 0.000000000000000 5.178503693335536 Atomic positions (fractional): 1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 3 O 0.56312105075172 0.71040528434809 0.50717288876219 15.999 4 O 0.43687894924828 0.21040528434809 0.99282711123781 15.999 5 O 0.43687894924828 0.28959471565192 0.49282711123781 15.999 6 O 0.56312105075172 0.78959471565191 0.00717288876219 15.999 7 O 0.96511795463479 0.55705841073273 0.78519538511581 15.999 8 O 0.03488204536521 0.05705841073274 0.71480461488419 15.999 9 O 0.03488204536521 0.44294158926727 0.21480461488419 15.999 10 O 0.96511795463479 0.94294158926727 0.28519538511581 15.999 11 O 0.04447844863956 0.67074899798520 0.21122785272968 15.999 12 O 0.95552155136044 0.17074899798520 0.28877214727032 15.999 13 O 0.95552155136044 0.32925100201480 0.78877214727032 15.999 14 O 0.04447844863956 0.82925100201480 0.71122785272968 15.999 15 O 0.31942895852794 0.67020470522194 0.78198716378596 15.999 16 O 0.68057104147207 0.17020470522194 0.71801283621404 15.999 17 O 0.68057104147207 0.32979529477806 0.21801283621404 15.999 18 O 0.31942895852794 0.82979529477806 0.28198716378596 15.999 19 O 0.68193526190879 0.55684158739107 0.21406604190842 15.999 20 O 0.31806473809121 0.05684158739107 0.28593395809158 15.999 21 O 0.31806473809121 0.44315841260893 0.78593395809158 15.999 22 O 0.68193526190879 0.94315841260893 0.71406604190842 15.999 23 O 0.47109547209760 0.60485766176805 0.49978730864513 15.999 24 O 0.52890452790240 0.10485766176805 0.00021269135487 15.999 25 O 0.52890452790240 0.39514233823195 0.50021269135487 15.999 26 O 0.47109547209760 0.89514233823195 0.99978730864513 15.999 27 Na 0.15050286825789 0.55405186893595 0.50181503233961 22.990 28 Na 0.75186325085338 0.61097580755513 0.96507237227178 22.990 29 Na 0.73312240793140 0.00034520737218 0.46526822937719 22.990 30 Na 0.26687759206860 0.50034520737218 0.03473177062281 22.990 31 Na 0.26687759206860 0.99965479262782 0.53473177062281 22.990 32 Na 0.73312240793140 0.49965479262782 0.96526822937719 22.990 33 Na 0.28234151144691 0.88783406475737 0.53523322193515 22.990 34 Na 0.71765848855309 0.38783406475737 0.96476677806485 22.990 35 Na 0.71765848855309 0.11216593524263 0.46476677806485 22.990 36 Na 0.28234151144691 0.61216593524263 0.03523322193515 22.990 37 Na 0.24813674914662 0.38902419244487 0.03492762772822 22.990 38 Na 0.75186325085338 0.88902419244487 0.46507237227178 22.990 39 Na 0.28558645512283 0.72416686634380 0.05960851219252 22.990 40 Na 0.71441354487717 0.22416686634380 0.44039148780748 22.990 41 Na 0.71441354487717 0.27583313365620 0.94039148780748 22.990 42 Na 0.28558645512283 0.77583313365620 0.55960851219252 22.990 43 Na 0.86874311861691 0.66086564592449 0.50605420045304 22.990 44 Na 0.13125688138309 0.16086564592449 0.99394579954696 22.990 45 Na 0.71006914266093 0.78176386583383 0.44955999875325 22.990 46 Na 0.86874311861691 0.83913435407551 0.00605420045304 22.990 47 Na 0.13125688138309 0.33913435407551 0.49394579954696 22.990 48 Na 0.84949713174211 0.05405186893595 0.99818496766039 22.990 49 Na 0.84949713174211 0.44594813106405 0.49818496766039 22.990 50 Na 0.15050286825789 0.94594813106405 0.00181503233961 22.990 51 Na 0.71006914266093 0.71823613416617 0.94955999875325 22.990 52 Na 0.28993085733907 0.21823613416617 0.55044000124675 22.990 53 Na 0.28993085733907 0.28176386583383 0.05044000124675 22.990 54 Na 0.24813674914662 0.11097580755513 0.53492762772822 22.990 55 Al 0.34424975196085 0.66522082373087 0.49916461075027 26.982 56 Al 0.65575024803915 0.16522082373087 0.00083538924974 26.982 57 Al 0.65575024803915 0.33477917626913 0.50083538924974 26.982 58 Al 0.34424975196085 0.83477917626913 0.99916461075026 26.982 59 Al 0.66503695540565 0.55496938313944 0.49959610751755 26.982 60 Al 0.33496304459435 0.05496938313944 0.00040389248245 26.982 61 Al 0.33496304459435 0.44503061686056 0.50040389248245 26.982 62 Al 0.66503695540565 0.94503061686056 0.99959610751755 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.906859380730131 0.000000000000000 0.000000000000000 b 0.000000000000000 27.150945830000001 0.000000000000000 c -2.944386088426227 0.000000000000000 5.178503693335536 Atomic positions (fractional): 1 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 1 2 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 1 3 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 3 4 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 3 5 O 0.28156052537586 0.71040528434809 0.50717288876219 15.999 > 5 6 O 0.78156052537586 0.71040528434809 0.50717288876219 15.999 > 5 7 O 0.21843947462414 0.21040528434809 0.99282711123781 15.999 > 7 8 O 0.71843947462414 0.21040528434809 0.99282711123781 15.999 > 7 9 O 0.21843947462414 0.28959471565192 0.49282711123781 15.999 > 9 10 O 0.71843947462414 0.28959471565192 0.49282711123781 15.999 > 9 11 O 0.28156052537586 0.78959471565191 0.00717288876219 15.999 > 11 12 O 0.78156052537586 0.78959471565191 0.00717288876219 15.999 > 11 13 O 0.48255897731740 0.55705841073273 0.78519538511581 15.999 > 13 14 O 0.98255897731740 0.55705841073273 0.78519538511581 15.999 > 13 15 O 0.01744102268260 0.05705841073274 0.71480461488419 15.999 > 15 16 O 0.51744102268260 0.05705841073274 0.71480461488419 15.999 > 15 17 O 0.01744102268260 0.44294158926727 0.21480461488419 15.999 > 17 18 O 0.51744102268260 0.44294158926727 0.21480461488419 15.999 > 17 19 O 0.48255897731740 0.94294158926727 0.28519538511581 15.999 > 19 20 O 0.98255897731740 0.94294158926727 0.28519538511581 15.999 > 19 21 O 0.02223922431978 0.67074899798520 0.21122785272968 15.999 > 21 22 O 0.52223922431978 0.67074899798520 0.21122785272968 15.999 > 21 23 O 0.47776077568022 0.17074899798520 0.28877214727032 15.999 > 23 24 O 0.97776077568022 0.17074899798520 0.28877214727032 15.999 > 23 25 O 0.47776077568022 0.32925100201480 0.78877214727032 15.999 > 25 26 O 0.97776077568022 0.32925100201480 0.78877214727032 15.999 > 25 27 O 0.02223922431978 0.82925100201480 0.71122785272968 15.999 > 27 28 O 0.52223922431978 0.82925100201480 0.71122785272968 15.999 > 27 29 O 0.15971447926397 0.67020470522194 0.78198716378596 15.999 > 29 30 O 0.65971447926397 0.67020470522194 0.78198716378596 15.999 > 29 31 O 0.34028552073603 0.17020470522194 0.71801283621404 15.999 > 31 32 O 0.84028552073603 0.17020470522194 0.71801283621404 15.999 > 31 33 O 0.34028552073603 0.32979529477806 0.21801283621404 15.999 > 33 34 O 0.84028552073603 0.32979529477806 0.21801283621404 15.999 > 33 35 O 0.15971447926397 0.82979529477806 0.28198716378596 15.999 > 35 36 O 0.65971447926397 0.82979529477806 0.28198716378596 15.999 > 35 37 O 0.34096763095439 0.55684158739107 0.21406604190842 15.999 > 37 38 O 0.84096763095439 0.55684158739107 0.21406604190842 15.999 > 37 39 O 0.15903236904561 0.05684158739107 0.28593395809158 15.999 > 39 40 O 0.65903236904561 0.05684158739107 0.28593395809158 15.999 > 39 41 O 0.15903236904561 0.44315841260893 0.78593395809158 15.999 > 41 42 O 0.65903236904561 0.44315841260893 0.78593395809158 15.999 > 41 43 O 0.34096763095439 0.94315841260893 0.71406604190842 15.999 > 43 44 O 0.84096763095439 0.94315841260893 0.71406604190842 15.999 > 43 45 O 0.23554773604880 0.60485766176805 0.49978730864513 15.999 > 45 46 O 0.73554773604880 0.60485766176805 0.49978730864513 15.999 > 45 47 O 0.26445226395120 0.10485766176805 0.00021269135487 15.999 > 47 48 O 0.76445226395120 0.10485766176805 0.00021269135487 15.999 > 47 49 O 0.26445226395120 0.39514233823195 0.50021269135487 15.999 > 49 50 O 0.76445226395120 0.39514233823195 0.50021269135487 15.999 > 49 51 O 0.23554773604880 0.89514233823195 0.99978730864513 15.999 > 51 52 O 0.73554773604880 0.89514233823195 0.99978730864513 15.999 > 51 53 Na 0.07525143412894 0.55405186893595 0.50181503233961 22.990 > 53 54 Na 0.57525143412894 0.55405186893595 0.50181503233961 22.990 > 53 55 Na 0.37593162542669 0.61097580755513 0.96507237227178 22.990 > 55 56 Na 0.87593162542669 0.61097580755513 0.96507237227178 22.990 > 55 57 Na 0.36656120396570 0.00034520737218 0.46526822937719 22.990 > 57 58 Na 0.86656120396570 0.00034520737218 0.46526822937719 22.990 > 57 59 Na 0.13343879603430 0.50034520737218 0.03473177062281 22.990 > 59 60 Na 0.63343879603430 0.50034520737218 0.03473177062281 22.990 > 59 61 Na 0.13343879603430 0.99965479262782 0.53473177062281 22.990 > 61 62 Na 0.63343879603430 0.99965479262782 0.53473177062281 22.990 > 61 63 Na 0.36656120396570 0.49965479262782 0.96526822937719 22.990 > 63 64 Na 0.86656120396570 0.49965479262782 0.96526822937719 22.990 > 63 65 Na 0.14117075572345 0.88783406475737 0.53523322193515 22.990 > 65 66 Na 0.64117075572345 0.88783406475737 0.53523322193515 22.990 > 65 67 Na 0.35882924427655 0.38783406475737 0.96476677806485 22.990 > 67 68 Na 0.85882924427655 0.38783406475737 0.96476677806485 22.990 > 67 69 Na 0.35882924427655 0.11216593524263 0.46476677806485 22.990 > 69 70 Na 0.85882924427655 0.11216593524263 0.46476677806485 22.990 > 69 71 Na 0.14117075572345 0.61216593524263 0.03523322193515 22.990 > 71 72 Na 0.64117075572345 0.61216593524263 0.03523322193515 22.990 > 71 73 Na 0.12406837457331 0.38902419244487 0.03492762772822 22.990 > 73 74 Na 0.62406837457331 0.38902419244487 0.03492762772822 22.990 > 73 75 Na 0.37593162542669 0.88902419244487 0.46507237227178 22.990 > 75 76 Na 0.87593162542669 0.88902419244487 0.46507237227178 22.990 > 75 77 Na 0.14279322756141 0.72416686634380 0.05960851219252 22.990 > 77 78 Na 0.64279322756141 0.72416686634380 0.05960851219252 22.990 > 77 79 Na 0.35720677243859 0.22416686634380 0.44039148780748 22.990 > 79 80 Na 0.85720677243859 0.22416686634380 0.44039148780748 22.990 > 79 81 Na 0.35720677243859 0.27583313365620 0.94039148780748 22.990 > 81 82 Na 0.85720677243859 0.27583313365620 0.94039148780748 22.990 > 81 83 Na 0.14279322756141 0.77583313365620 0.55960851219252 22.990 > 83 84 Na 0.64279322756141 0.77583313365620 0.55960851219252 22.990 > 83 85 Na 0.43437155930846 0.66086564592449 0.50605420045304 22.990 > 85 86 Na 0.93437155930846 0.66086564592449 0.50605420045304 22.990 > 85 87 Na 0.06562844069154 0.16086564592449 0.99394579954696 22.990 > 87 88 Na 0.56562844069154 0.16086564592449 0.99394579954696 22.990 > 87 89 Na 0.35503457133046 0.78176386583383 0.44955999875325 22.990 > 89 90 Na 0.85503457133046 0.78176386583383 0.44955999875325 22.990 > 89 91 Na 0.43437155930846 0.83913435407551 0.00605420045304 22.990 > 91 92 Na 0.93437155930846 0.83913435407551 0.00605420045304 22.990 > 91 93 Na 0.06562844069154 0.33913435407551 0.49394579954696 22.990 > 93 94 Na 0.56562844069154 0.33913435407551 0.49394579954696 22.990 > 93 95 Na 0.42474856587106 0.05405186893595 0.99818496766039 22.990 > 95 96 Na 0.92474856587106 0.05405186893595 0.99818496766039 22.990 > 95 97 Na 0.42474856587106 0.44594813106405 0.49818496766039 22.990 > 97 98 Na 0.92474856587106 0.44594813106405 0.49818496766039 22.990 > 97 99 Na 0.07525143412894 0.94594813106405 0.00181503233961 22.990 > 99 100 Na 0.57525143412894 0.94594813106405 0.00181503233961 22.990 > 99 101 Na 0.35503457133046 0.71823613416617 0.94955999875325 22.990 > 101 102 Na 0.85503457133046 0.71823613416617 0.94955999875325 22.990 > 101 103 Na 0.14496542866954 0.21823613416617 0.55044000124675 22.990 > 103 104 Na 0.64496542866954 0.21823613416617 0.55044000124675 22.990 > 103 105 Na 0.14496542866954 0.28176386583383 0.05044000124675 22.990 > 105 106 Na 0.64496542866954 0.28176386583383 0.05044000124675 22.990 > 105 107 Na 0.12406837457331 0.11097580755513 0.53492762772822 22.990 > 107 108 Na 0.62406837457331 0.11097580755513 0.53492762772822 22.990 > 107 109 Al 0.17212487598043 0.66522082373087 0.49916461075027 26.982 > 109 110 Al 0.67212487598043 0.66522082373087 0.49916461075027 26.982 > 109 111 Al 0.32787512401958 0.16522082373087 0.00083538924974 26.982 > 111 112 Al 0.82787512401957 0.16522082373087 0.00083538924974 26.982 > 111 113 Al 0.32787512401958 0.33477917626913 0.50083538924974 26.982 > 113 114 Al 0.82787512401957 0.33477917626913 0.50083538924974 26.982 > 113 115 Al 0.17212487598043 0.83477917626913 0.99916461075026 26.982 > 115 116 Al 0.67212487598043 0.83477917626913 0.99916461075026 26.982 > 115 117 Al 0.33251847770283 0.55496938313944 0.49959610751755 26.982 > 117 118 Al 0.83251847770283 0.55496938313944 0.49959610751755 26.982 > 117 119 Al 0.16748152229717 0.05496938313944 0.00040389248245 26.982 > 119 120 Al 0.66748152229717 0.05496938313944 0.00040389248245 26.982 > 119 121 Al 0.16748152229717 0.44503061686056 0.50040389248245 26.982 > 121 122 Al 0.66748152229717 0.44503061686056 0.50040389248245 26.982 > 121 123 Al 0.33251847770283 0.94503061686056 0.99959610751755 26.982 > 123 124 Al 0.83251847770283 0.94503061686056 0.99959610751755 26.982 > 123 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7129225 0.0000000 0.0045296 0.0000000 2.7735487 0.0000000 0.0045280 0.0000000 2.7327501 -------------------------- Born effective charges -------------------------- 1 O -1.7450298 -0.6272189 0.0014018 -0.7499347 -2.3172434 0.0025246 0.0014568 -0.0006076 -1.3256770 2 O -1.7450298 0.6272189 0.0014018 0.7499347 -2.3172434 -0.0025246 0.0014568 0.0006076 -1.3256770 3 O -1.7652666 -0.3068832 0.0294322 -0.3020663 -1.8291797 0.0275097 0.0214019 -0.0001266 -1.5096479 4 O -1.7652666 0.3068832 0.0294322 0.3020663 -1.8291797 -0.0275097 0.0214019 0.0001266 -1.5096479 5 O -1.7652666 -0.3068832 0.0294322 -0.3020663 -1.8291797 0.0275097 0.0214019 -0.0001266 -1.5096479 6 O -1.7652666 0.3068832 0.0294322 0.3020663 -1.8291797 -0.0275097 0.0214019 0.0001266 -1.5096479 7 O -1.6899375 -0.0164022 -0.2547546 0.0025665 -1.5446955 -0.0119037 -0.2285971 -0.0088882 -1.9218613 8 O -1.6899375 0.0164022 -0.2547546 -0.0025665 -1.5446955 0.0119037 -0.2285971 0.0088882 -1.9218613 9 O -1.6899375 -0.0164022 -0.2547546 0.0025665 -1.5446955 -0.0119037 -0.2285971 -0.0088882 -1.9218613 10 O -1.6899375 0.0164022 -0.2547546 -0.0025665 -1.5446955 0.0119037 -0.2285971 0.0088882 -1.9218613 11 O -1.7350144 -0.0108668 -0.2899123 -0.0041649 -1.4905066 0.0712636 -0.2772575 0.0110828 -1.9569493 12 O -1.7350144 0.0108668 -0.2899123 0.0041649 -1.4905066 -0.0712636 -0.2772575 -0.0110828 -1.9569493 13 O -1.7350144 -0.0108668 -0.2899123 -0.0041649 -1.4905066 0.0712636 -0.2772575 0.0110828 -1.9569493 14 O -1.7350144 0.0108668 -0.2899123 0.0041649 -1.4905066 -0.0712636 -0.2772575 -0.0110828 -1.9569493 15 O -1.7011811 -0.0166503 0.3009428 -0.0113834 -1.5211568 -0.0706798 0.2812963 -0.0307220 -1.9283066 16 O -1.7011811 0.0166503 0.3009428 0.0113834 -1.5211568 0.0706798 0.2812963 0.0307220 -1.9283066 17 O -1.7011811 -0.0166503 0.3009428 -0.0113834 -1.5211568 -0.0706798 0.2812963 -0.0307220 -1.9283066 18 O -1.7011811 0.0166503 0.3009428 0.0113834 -1.5211568 0.0706798 0.2812963 0.0307220 -1.9283066 19 O -1.6929601 -0.0154190 0.2496756 0.0008360 -1.5447173 0.0129764 0.2246458 0.0064930 -1.9224175 20 O -1.6929601 0.0154190 0.2496756 -0.0008360 -1.5447173 -0.0129764 0.2246458 -0.0064930 -1.9224175 21 O -1.6929601 -0.0154190 0.2496756 0.0008360 -1.5447173 0.0129764 0.2246458 0.0064930 -1.9224175 22 O -1.6929601 0.0154190 0.2496756 -0.0008360 -1.5447173 -0.0129764 0.2246458 -0.0064930 -1.9224175 23 O -1.7160967 0.6164783 -0.0027377 0.7068346 -2.3169146 -0.0010816 -0.0029983 0.0011159 -1.3223393 24 O -1.7160967 -0.6164783 -0.0027377 -0.7068346 -2.3169146 0.0010816 -0.0029983 -0.0011159 -1.3223393 25 O -1.7160967 0.6164783 -0.0027377 0.7068346 -2.3169146 -0.0010816 -0.0029983 0.0011159 -1.3223393 26 O -1.7160967 -0.6164783 -0.0027377 -0.7068346 -2.3169146 0.0010816 -0.0029983 -0.0011159 -1.3223393 27 Na 1.1175240 -0.0110938 0.0013346 -0.0060064 1.1032088 -0.0006365 0.0015451 0.0009684 0.9626877 28 Na 0.9533757 -0.0359419 0.0134875 -0.0423113 0.9504596 -0.0028778 0.0060925 -0.0131677 1.0371949 29 Na 0.9541214 -0.0356894 0.0008448 -0.0497954 0.9601504 -0.0008423 0.0015999 0.0008114 1.0264921 30 Na 0.9541214 0.0356894 0.0008448 0.0497954 0.9601504 0.0008423 0.0015999 -0.0008114 1.0264921 31 Na 0.9541214 -0.0356894 0.0008448 -0.0497954 0.9601504 -0.0008423 0.0015999 0.0008114 1.0264921 32 Na 0.9541214 0.0356894 0.0008448 0.0497954 0.9601504 0.0008423 0.0015999 -0.0008114 1.0264921 33 Na 0.9499590 0.0376148 -0.0070917 0.0487174 0.9463138 -0.0115528 -0.0012518 -0.0119190 1.0374583 34 Na 0.9499590 -0.0376148 -0.0070917 -0.0487174 0.9463138 0.0115528 -0.0012518 0.0119190 1.0374583 35 Na 0.9499590 0.0376148 -0.0070917 0.0487174 0.9463138 -0.0115528 -0.0012518 -0.0119190 1.0374583 36 Na 0.9499590 -0.0376148 -0.0070917 -0.0487174 0.9463138 0.0115528 -0.0012518 0.0119190 1.0374583 37 Na 0.9533757 -0.0359419 0.0134875 -0.0423113 0.9504596 -0.0028778 0.0060925 -0.0131677 1.0371949 38 Na 0.9533757 0.0359419 0.0134875 0.0423113 0.9504596 0.0028778 0.0060925 0.0131677 1.0371949 39 Na 0.9270155 0.0804331 -0.0633519 0.0735604 1.1275590 -0.0249238 -0.0751068 -0.0156575 0.9947766 40 Na 0.9270155 -0.0804331 -0.0633519 -0.0735604 1.1275590 0.0249238 -0.0751068 0.0156575 0.9947766 41 Na 0.9270155 0.0804331 -0.0633519 0.0735604 1.1275590 -0.0249238 -0.0751068 -0.0156575 0.9947766 42 Na 0.9270155 -0.0804331 -0.0633519 -0.0735604 1.1275590 0.0249238 -0.0751068 0.0156575 0.9947766 43 Na 1.1201901 0.0577623 -0.0016624 0.0449307 0.9672215 -0.0149447 -0.0049256 -0.0104318 0.9510329 44 Na 1.1201901 -0.0577623 -0.0016624 -0.0449307 0.9672215 0.0149447 -0.0049256 0.0104318 0.9510329 45 Na 0.9249164 0.0254496 0.0284471 0.0121422 0.9750217 -0.0383304 0.0492651 -0.0157285 0.9612817 46 Na 1.1201901 -0.0577623 -0.0016624 -0.0449307 0.9672215 0.0149447 -0.0049256 0.0104318 0.9510329 47 Na 1.1201901 0.0577623 -0.0016624 0.0449307 0.9672215 -0.0149447 -0.0049256 -0.0104318 0.9510329 48 Na 1.1175240 0.0110938 0.0013346 0.0060064 1.1032088 0.0006365 0.0015451 -0.0009684 0.9626877 49 Na 1.1175240 -0.0110938 0.0013346 -0.0060064 1.1032088 -0.0006365 0.0015451 0.0009684 0.9626877 50 Na 1.1175240 0.0110938 0.0013346 0.0060064 1.1032088 0.0006365 0.0015451 -0.0009684 0.9626877 51 Na 0.9249164 -0.0254496 0.0284471 -0.0121422 0.9750217 0.0383304 0.0492651 0.0157285 0.9612817 52 Na 0.9249164 0.0254496 0.0284471 0.0121422 0.9750217 -0.0383304 0.0492651 -0.0157285 0.9612817 53 Na 0.9249164 -0.0254496 0.0284471 -0.0121422 0.9750217 0.0383304 0.0492651 0.0157285 0.9612817 54 Na 0.9533757 0.0359419 0.0134875 0.0423113 0.9504596 0.0028778 0.0060925 0.0131677 1.0371949 55 Al 2.0637869 0.0019786 -0.0047345 -0.0349840 2.1011657 -0.0107662 0.0036523 0.0280412 2.1015726 56 Al 2.0637869 -0.0019786 -0.0047345 0.0349840 2.1011657 0.0107662 0.0036523 -0.0280412 2.1015726 57 Al 2.0637869 0.0019786 -0.0047345 -0.0349840 2.1011657 -0.0107662 0.0036523 0.0280412 2.1015726 58 Al 2.0637869 -0.0019786 -0.0047345 0.0349840 2.1011657 0.0107662 0.0036523 -0.0280412 2.1015726 59 Al 2.1620825 0.0185861 -0.0006203 -0.0279405 2.2746916 -0.0022712 -0.0000902 0.0025375 2.1518634 60 Al 2.1620825 -0.0185861 -0.0006203 0.0279405 2.2746916 0.0022712 -0.0000902 -0.0025375 2.1518634 61 Al 2.1620825 0.0185861 -0.0006203 -0.0279405 2.2746916 -0.0022712 -0.0000902 0.0025375 2.1518634 62 Al 2.1620825 -0.0185861 -0.0006203 0.0279405 2.2746916 0.0022712 -0.0000902 -0.0025375 2.1518634 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 117, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:54:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:54:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.953429690365065 0.000000000000000 0.000000000000000 b 0.000000000000000 27.150945830000001 0.000000000000000 c -2.944386088426227 0.000000000000000 5.178503693335536 Atomic positions (fractional): 1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 3 O 0.56312105075172 0.71040528434809 0.50717288876219 15.999 4 O 0.43687894924828 0.21040528434809 0.99282711123781 15.999 5 O 0.43687894924828 0.28959471565192 0.49282711123781 15.999 6 O 0.56312105075172 0.78959471565191 0.00717288876219 15.999 7 O 0.96511795463479 0.55705841073273 0.78519538511581 15.999 8 O 0.03488204536521 0.05705841073274 0.71480461488419 15.999 9 O 0.03488204536521 0.44294158926727 0.21480461488419 15.999 10 O 0.96511795463479 0.94294158926727 0.28519538511581 15.999 11 O 0.04447844863956 0.67074899798520 0.21122785272968 15.999 12 O 0.95552155136044 0.17074899798520 0.28877214727032 15.999 13 O 0.95552155136044 0.32925100201480 0.78877214727032 15.999 14 O 0.04447844863956 0.82925100201480 0.71122785272968 15.999 15 O 0.31942895852794 0.67020470522194 0.78198716378596 15.999 16 O 0.68057104147207 0.17020470522194 0.71801283621404 15.999 17 O 0.68057104147207 0.32979529477806 0.21801283621404 15.999 18 O 0.31942895852794 0.82979529477806 0.28198716378596 15.999 19 O 0.68193526190879 0.55684158739107 0.21406604190842 15.999 20 O 0.31806473809121 0.05684158739107 0.28593395809158 15.999 21 O 0.31806473809121 0.44315841260893 0.78593395809158 15.999 22 O 0.68193526190879 0.94315841260893 0.71406604190842 15.999 23 O 0.47109547209760 0.60485766176805 0.49978730864513 15.999 24 O 0.52890452790240 0.10485766176805 0.00021269135487 15.999 25 O 0.52890452790240 0.39514233823195 0.50021269135487 15.999 26 O 0.47109547209760 0.89514233823195 0.99978730864513 15.999 27 Na 0.15050286825789 0.55405186893595 0.50181503233961 22.990 28 Na 0.75186325085338 0.61097580755513 0.96507237227178 22.990 29 Na 0.73312240793140 0.00034520737218 0.46526822937719 22.990 30 Na 0.26687759206860 0.50034520737218 0.03473177062281 22.990 31 Na 0.26687759206860 0.99965479262782 0.53473177062281 22.990 32 Na 0.73312240793140 0.49965479262782 0.96526822937719 22.990 33 Na 0.28234151144691 0.88783406475737 0.53523322193515 22.990 34 Na 0.71765848855309 0.38783406475737 0.96476677806485 22.990 35 Na 0.71765848855309 0.11216593524263 0.46476677806485 22.990 36 Na 0.28234151144691 0.61216593524263 0.03523322193515 22.990 37 Na 0.24813674914662 0.38902419244487 0.03492762772822 22.990 38 Na 0.75186325085338 0.88902419244487 0.46507237227178 22.990 39 Na 0.28558645512283 0.72416686634380 0.05960851219252 22.990 40 Na 0.71441354487717 0.22416686634380 0.44039148780748 22.990 41 Na 0.71441354487717 0.27583313365620 0.94039148780748 22.990 42 Na 0.28558645512283 0.77583313365620 0.55960851219252 22.990 43 Na 0.86874311861691 0.66086564592449 0.50605420045304 22.990 44 Na 0.13125688138309 0.16086564592449 0.99394579954696 22.990 45 Na 0.71006914266093 0.78176386583383 0.44955999875325 22.990 46 Na 0.86874311861691 0.83913435407551 0.00605420045304 22.990 47 Na 0.13125688138309 0.33913435407551 0.49394579954696 22.990 48 Na 0.84949713174211 0.05405186893595 0.99818496766039 22.990 49 Na 0.84949713174211 0.44594813106405 0.49818496766039 22.990 50 Na 0.15050286825789 0.94594813106405 0.00181503233961 22.990 51 Na 0.71006914266093 0.71823613416617 0.94955999875325 22.990 52 Na 0.28993085733907 0.21823613416617 0.55044000124675 22.990 53 Na 0.28993085733907 0.28176386583383 0.05044000124675 22.990 54 Na 0.24813674914662 0.11097580755513 0.53492762772822 22.990 55 Al 0.34424975196085 0.66522082373087 0.49916461075027 26.982 56 Al 0.65575024803915 0.16522082373087 0.00083538924974 26.982 57 Al 0.65575024803915 0.33477917626913 0.50083538924974 26.982 58 Al 0.34424975196085 0.83477917626913 0.99916461075026 26.982 59 Al 0.66503695540565 0.55496938313944 0.49959610751755 26.982 60 Al 0.33496304459435 0.05496938313944 0.00040389248245 26.982 61 Al 0.33496304459435 0.44503061686056 0.50040389248245 26.982 62 Al 0.66503695540565 0.94503061686056 0.99959610751755 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.906859380730131 0.000000000000000 0.000000000000000 b 0.000000000000000 27.150945830000001 0.000000000000000 c -2.944386088426227 0.000000000000000 5.178503693335536 Atomic positions (fractional): 1 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 1 2 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 1 3 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 3 4 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 3 5 O 0.28156052537586 0.71040528434809 0.50717288876219 15.999 > 5 6 O 0.78156052537586 0.71040528434809 0.50717288876219 15.999 > 5 7 O 0.21843947462414 0.21040528434809 0.99282711123781 15.999 > 7 8 O 0.71843947462414 0.21040528434809 0.99282711123781 15.999 > 7 9 O 0.21843947462414 0.28959471565192 0.49282711123781 15.999 > 9 10 O 0.71843947462414 0.28959471565192 0.49282711123781 15.999 > 9 11 O 0.28156052537586 0.78959471565191 0.00717288876219 15.999 > 11 12 O 0.78156052537586 0.78959471565191 0.00717288876219 15.999 > 11 13 O 0.48255897731740 0.55705841073273 0.78519538511581 15.999 > 13 14 O 0.98255897731740 0.55705841073273 0.78519538511581 15.999 > 13 15 O 0.01744102268260 0.05705841073274 0.71480461488419 15.999 > 15 16 O 0.51744102268260 0.05705841073274 0.71480461488419 15.999 > 15 17 O 0.01744102268260 0.44294158926727 0.21480461488419 15.999 > 17 18 O 0.51744102268260 0.44294158926727 0.21480461488419 15.999 > 17 19 O 0.48255897731740 0.94294158926727 0.28519538511581 15.999 > 19 20 O 0.98255897731740 0.94294158926727 0.28519538511581 15.999 > 19 21 O 0.02223922431978 0.67074899798520 0.21122785272968 15.999 > 21 22 O 0.52223922431978 0.67074899798520 0.21122785272968 15.999 > 21 23 O 0.47776077568022 0.17074899798520 0.28877214727032 15.999 > 23 24 O 0.97776077568022 0.17074899798520 0.28877214727032 15.999 > 23 25 O 0.47776077568022 0.32925100201480 0.78877214727032 15.999 > 25 26 O 0.97776077568022 0.32925100201480 0.78877214727032 15.999 > 25 27 O 0.02223922431978 0.82925100201480 0.71122785272968 15.999 > 27 28 O 0.52223922431978 0.82925100201480 0.71122785272968 15.999 > 27 29 O 0.15971447926397 0.67020470522194 0.78198716378596 15.999 > 29 30 O 0.65971447926397 0.67020470522194 0.78198716378596 15.999 > 29 31 O 0.34028552073603 0.17020470522194 0.71801283621404 15.999 > 31 32 O 0.84028552073603 0.17020470522194 0.71801283621404 15.999 > 31 33 O 0.34028552073603 0.32979529477806 0.21801283621404 15.999 > 33 34 O 0.84028552073603 0.32979529477806 0.21801283621404 15.999 > 33 35 O 0.15971447926397 0.82979529477806 0.28198716378596 15.999 > 35 36 O 0.65971447926397 0.82979529477806 0.28198716378596 15.999 > 35 37 O 0.34096763095439 0.55684158739107 0.21406604190842 15.999 > 37 38 O 0.84096763095439 0.55684158739107 0.21406604190842 15.999 > 37 39 O 0.15903236904561 0.05684158739107 0.28593395809158 15.999 > 39 40 O 0.65903236904561 0.05684158739107 0.28593395809158 15.999 > 39 41 O 0.15903236904561 0.44315841260893 0.78593395809158 15.999 > 41 42 O 0.65903236904561 0.44315841260893 0.78593395809158 15.999 > 41 43 O 0.34096763095439 0.94315841260893 0.71406604190842 15.999 > 43 44 O 0.84096763095439 0.94315841260893 0.71406604190842 15.999 > 43 45 O 0.23554773604880 0.60485766176805 0.49978730864513 15.999 > 45 46 O 0.73554773604880 0.60485766176805 0.49978730864513 15.999 > 45 47 O 0.26445226395120 0.10485766176805 0.00021269135487 15.999 > 47 48 O 0.76445226395120 0.10485766176805 0.00021269135487 15.999 > 47 49 O 0.26445226395120 0.39514233823195 0.50021269135487 15.999 > 49 50 O 0.76445226395120 0.39514233823195 0.50021269135487 15.999 > 49 51 O 0.23554773604880 0.89514233823195 0.99978730864513 15.999 > 51 52 O 0.73554773604880 0.89514233823195 0.99978730864513 15.999 > 51 53 Na 0.07525143412894 0.55405186893595 0.50181503233961 22.990 > 53 54 Na 0.57525143412894 0.55405186893595 0.50181503233961 22.990 > 53 55 Na 0.37593162542669 0.61097580755513 0.96507237227178 22.990 > 55 56 Na 0.87593162542669 0.61097580755513 0.96507237227178 22.990 > 55 57 Na 0.36656120396570 0.00034520737218 0.46526822937719 22.990 > 57 58 Na 0.86656120396570 0.00034520737218 0.46526822937719 22.990 > 57 59 Na 0.13343879603430 0.50034520737218 0.03473177062281 22.990 > 59 60 Na 0.63343879603430 0.50034520737218 0.03473177062281 22.990 > 59 61 Na 0.13343879603430 0.99965479262782 0.53473177062281 22.990 > 61 62 Na 0.63343879603430 0.99965479262782 0.53473177062281 22.990 > 61 63 Na 0.36656120396570 0.49965479262782 0.96526822937719 22.990 > 63 64 Na 0.86656120396570 0.49965479262782 0.96526822937719 22.990 > 63 65 Na 0.14117075572345 0.88783406475737 0.53523322193515 22.990 > 65 66 Na 0.64117075572345 0.88783406475737 0.53523322193515 22.990 > 65 67 Na 0.35882924427655 0.38783406475737 0.96476677806485 22.990 > 67 68 Na 0.85882924427655 0.38783406475737 0.96476677806485 22.990 > 67 69 Na 0.35882924427655 0.11216593524263 0.46476677806485 22.990 > 69 70 Na 0.85882924427655 0.11216593524263 0.46476677806485 22.990 > 69 71 Na 0.14117075572345 0.61216593524263 0.03523322193515 22.990 > 71 72 Na 0.64117075572345 0.61216593524263 0.03523322193515 22.990 > 71 73 Na 0.12406837457331 0.38902419244487 0.03492762772822 22.990 > 73 74 Na 0.62406837457331 0.38902419244487 0.03492762772822 22.990 > 73 75 Na 0.37593162542669 0.88902419244487 0.46507237227178 22.990 > 75 76 Na 0.87593162542669 0.88902419244487 0.46507237227178 22.990 > 75 77 Na 0.14279322756141 0.72416686634380 0.05960851219252 22.990 > 77 78 Na 0.64279322756141 0.72416686634380 0.05960851219252 22.990 > 77 79 Na 0.35720677243859 0.22416686634380 0.44039148780748 22.990 > 79 80 Na 0.85720677243859 0.22416686634380 0.44039148780748 22.990 > 79 81 Na 0.35720677243859 0.27583313365620 0.94039148780748 22.990 > 81 82 Na 0.85720677243859 0.27583313365620 0.94039148780748 22.990 > 81 83 Na 0.14279322756141 0.77583313365620 0.55960851219252 22.990 > 83 84 Na 0.64279322756141 0.77583313365620 0.55960851219252 22.990 > 83 85 Na 0.43437155930846 0.66086564592449 0.50605420045304 22.990 > 85 86 Na 0.93437155930846 0.66086564592449 0.50605420045304 22.990 > 85 87 Na 0.06562844069154 0.16086564592449 0.99394579954696 22.990 > 87 88 Na 0.56562844069154 0.16086564592449 0.99394579954696 22.990 > 87 89 Na 0.35503457133046 0.78176386583383 0.44955999875325 22.990 > 89 90 Na 0.85503457133046 0.78176386583383 0.44955999875325 22.990 > 89 91 Na 0.43437155930846 0.83913435407551 0.00605420045304 22.990 > 91 92 Na 0.93437155930846 0.83913435407551 0.00605420045304 22.990 > 91 93 Na 0.06562844069154 0.33913435407551 0.49394579954696 22.990 > 93 94 Na 0.56562844069154 0.33913435407551 0.49394579954696 22.990 > 93 95 Na 0.42474856587106 0.05405186893595 0.99818496766039 22.990 > 95 96 Na 0.92474856587106 0.05405186893595 0.99818496766039 22.990 > 95 97 Na 0.42474856587106 0.44594813106405 0.49818496766039 22.990 > 97 98 Na 0.92474856587106 0.44594813106405 0.49818496766039 22.990 > 97 99 Na 0.07525143412894 0.94594813106405 0.00181503233961 22.990 > 99 100 Na 0.57525143412894 0.94594813106405 0.00181503233961 22.990 > 99 101 Na 0.35503457133046 0.71823613416617 0.94955999875325 22.990 > 101 102 Na 0.85503457133046 0.71823613416617 0.94955999875325 22.990 > 101 103 Na 0.14496542866954 0.21823613416617 0.55044000124675 22.990 > 103 104 Na 0.64496542866954 0.21823613416617 0.55044000124675 22.990 > 103 105 Na 0.14496542866954 0.28176386583383 0.05044000124675 22.990 > 105 106 Na 0.64496542866954 0.28176386583383 0.05044000124675 22.990 > 105 107 Na 0.12406837457331 0.11097580755513 0.53492762772822 22.990 > 107 108 Na 0.62406837457331 0.11097580755513 0.53492762772822 22.990 > 107 109 Al 0.17212487598043 0.66522082373087 0.49916461075027 26.982 > 109 110 Al 0.67212487598043 0.66522082373087 0.49916461075027 26.982 > 109 111 Al 0.32787512401958 0.16522082373087 0.00083538924974 26.982 > 111 112 Al 0.82787512401957 0.16522082373087 0.00083538924974 26.982 > 111 113 Al 0.32787512401958 0.33477917626913 0.50083538924974 26.982 > 113 114 Al 0.82787512401957 0.33477917626913 0.50083538924974 26.982 > 113 115 Al 0.17212487598043 0.83477917626913 0.99916461075026 26.982 > 115 116 Al 0.67212487598043 0.83477917626913 0.99916461075026 26.982 > 115 117 Al 0.33251847770283 0.55496938313944 0.49959610751755 26.982 > 117 118 Al 0.83251847770283 0.55496938313944 0.49959610751755 26.982 > 117 119 Al 0.16748152229717 0.05496938313944 0.00040389248245 26.982 > 119 120 Al 0.66748152229717 0.05496938313944 0.00040389248245 26.982 > 119 121 Al 0.16748152229717 0.44503061686056 0.50040389248245 26.982 > 121 122 Al 0.66748152229717 0.44503061686056 0.50040389248245 26.982 > 121 123 Al 0.33251847770283 0.94503061686056 0.99959610751755 26.982 > 123 124 Al 0.83251847770283 0.94503061686056 0.99959610751755 26.982 > 123 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7129225 0.0000000 0.0045296 0.0000000 2.7735487 0.0000000 0.0045280 0.0000000 2.7327501 -------------------------- Born effective charges -------------------------- 1 O -1.7450298 -0.6272189 0.0014018 -0.7499347 -2.3172434 0.0025246 0.0014568 -0.0006076 -1.3256770 2 O -1.7450298 0.6272189 0.0014018 0.7499347 -2.3172434 -0.0025246 0.0014568 0.0006076 -1.3256770 3 O -1.7652666 -0.3068832 0.0294322 -0.3020663 -1.8291797 0.0275097 0.0214019 -0.0001266 -1.5096479 4 O -1.7652666 0.3068832 0.0294322 0.3020663 -1.8291797 -0.0275097 0.0214019 0.0001266 -1.5096479 5 O -1.7652666 -0.3068832 0.0294322 -0.3020663 -1.8291797 0.0275097 0.0214019 -0.0001266 -1.5096479 6 O -1.7652666 0.3068832 0.0294322 0.3020663 -1.8291797 -0.0275097 0.0214019 0.0001266 -1.5096479 7 O -1.6899375 -0.0164022 -0.2547546 0.0025665 -1.5446955 -0.0119037 -0.2285971 -0.0088882 -1.9218613 8 O -1.6899375 0.0164022 -0.2547546 -0.0025665 -1.5446955 0.0119037 -0.2285971 0.0088882 -1.9218613 9 O -1.6899375 -0.0164022 -0.2547546 0.0025665 -1.5446955 -0.0119037 -0.2285971 -0.0088882 -1.9218613 10 O -1.6899375 0.0164022 -0.2547546 -0.0025665 -1.5446955 0.0119037 -0.2285971 0.0088882 -1.9218613 11 O -1.7350144 -0.0108668 -0.2899123 -0.0041649 -1.4905066 0.0712636 -0.2772575 0.0110828 -1.9569493 12 O -1.7350144 0.0108668 -0.2899123 0.0041649 -1.4905066 -0.0712636 -0.2772575 -0.0110828 -1.9569493 13 O -1.7350144 -0.0108668 -0.2899123 -0.0041649 -1.4905066 0.0712636 -0.2772575 0.0110828 -1.9569493 14 O -1.7350144 0.0108668 -0.2899123 0.0041649 -1.4905066 -0.0712636 -0.2772575 -0.0110828 -1.9569493 15 O -1.7011811 -0.0166503 0.3009428 -0.0113834 -1.5211568 -0.0706798 0.2812963 -0.0307220 -1.9283066 16 O -1.7011811 0.0166503 0.3009428 0.0113834 -1.5211568 0.0706798 0.2812963 0.0307220 -1.9283066 17 O -1.7011811 -0.0166503 0.3009428 -0.0113834 -1.5211568 -0.0706798 0.2812963 -0.0307220 -1.9283066 18 O -1.7011811 0.0166503 0.3009428 0.0113834 -1.5211568 0.0706798 0.2812963 0.0307220 -1.9283066 19 O -1.6929601 -0.0154190 0.2496756 0.0008360 -1.5447173 0.0129764 0.2246458 0.0064930 -1.9224175 20 O -1.6929601 0.0154190 0.2496756 -0.0008360 -1.5447173 -0.0129764 0.2246458 -0.0064930 -1.9224175 21 O -1.6929601 -0.0154190 0.2496756 0.0008360 -1.5447173 0.0129764 0.2246458 0.0064930 -1.9224175 22 O -1.6929601 0.0154190 0.2496756 -0.0008360 -1.5447173 -0.0129764 0.2246458 -0.0064930 -1.9224175 23 O -1.7160967 0.6164783 -0.0027377 0.7068346 -2.3169146 -0.0010816 -0.0029983 0.0011159 -1.3223393 24 O -1.7160967 -0.6164783 -0.0027377 -0.7068346 -2.3169146 0.0010816 -0.0029983 -0.0011159 -1.3223393 25 O -1.7160967 0.6164783 -0.0027377 0.7068346 -2.3169146 -0.0010816 -0.0029983 0.0011159 -1.3223393 26 O -1.7160967 -0.6164783 -0.0027377 -0.7068346 -2.3169146 0.0010816 -0.0029983 -0.0011159 -1.3223393 27 Na 1.1175240 -0.0110938 0.0013346 -0.0060064 1.1032088 -0.0006365 0.0015451 0.0009684 0.9626877 28 Na 0.9533757 -0.0359419 0.0134875 -0.0423113 0.9504596 -0.0028778 0.0060925 -0.0131677 1.0371949 29 Na 0.9541214 -0.0356894 0.0008448 -0.0497954 0.9601504 -0.0008423 0.0015999 0.0008114 1.0264921 30 Na 0.9541214 0.0356894 0.0008448 0.0497954 0.9601504 0.0008423 0.0015999 -0.0008114 1.0264921 31 Na 0.9541214 -0.0356894 0.0008448 -0.0497954 0.9601504 -0.0008423 0.0015999 0.0008114 1.0264921 32 Na 0.9541214 0.0356894 0.0008448 0.0497954 0.9601504 0.0008423 0.0015999 -0.0008114 1.0264921 33 Na 0.9499590 0.0376148 -0.0070917 0.0487174 0.9463138 -0.0115528 -0.0012518 -0.0119190 1.0374583 34 Na 0.9499590 -0.0376148 -0.0070917 -0.0487174 0.9463138 0.0115528 -0.0012518 0.0119190 1.0374583 35 Na 0.9499590 0.0376148 -0.0070917 0.0487174 0.9463138 -0.0115528 -0.0012518 -0.0119190 1.0374583 36 Na 0.9499590 -0.0376148 -0.0070917 -0.0487174 0.9463138 0.0115528 -0.0012518 0.0119190 1.0374583 37 Na 0.9533757 -0.0359419 0.0134875 -0.0423113 0.9504596 -0.0028778 0.0060925 -0.0131677 1.0371949 38 Na 0.9533757 0.0359419 0.0134875 0.0423113 0.9504596 0.0028778 0.0060925 0.0131677 1.0371949 39 Na 0.9270155 0.0804331 -0.0633519 0.0735604 1.1275590 -0.0249238 -0.0751068 -0.0156575 0.9947766 40 Na 0.9270155 -0.0804331 -0.0633519 -0.0735604 1.1275590 0.0249238 -0.0751068 0.0156575 0.9947766 41 Na 0.9270155 0.0804331 -0.0633519 0.0735604 1.1275590 -0.0249238 -0.0751068 -0.0156575 0.9947766 42 Na 0.9270155 -0.0804331 -0.0633519 -0.0735604 1.1275590 0.0249238 -0.0751068 0.0156575 0.9947766 43 Na 1.1201901 0.0577623 -0.0016624 0.0449307 0.9672215 -0.0149447 -0.0049256 -0.0104318 0.9510329 44 Na 1.1201901 -0.0577623 -0.0016624 -0.0449307 0.9672215 0.0149447 -0.0049256 0.0104318 0.9510329 45 Na 0.9249164 0.0254496 0.0284471 0.0121422 0.9750217 -0.0383304 0.0492651 -0.0157285 0.9612817 46 Na 1.1201901 -0.0577623 -0.0016624 -0.0449307 0.9672215 0.0149447 -0.0049256 0.0104318 0.9510329 47 Na 1.1201901 0.0577623 -0.0016624 0.0449307 0.9672215 -0.0149447 -0.0049256 -0.0104318 0.9510329 48 Na 1.1175240 0.0110938 0.0013346 0.0060064 1.1032088 0.0006365 0.0015451 -0.0009684 0.9626877 49 Na 1.1175240 -0.0110938 0.0013346 -0.0060064 1.1032088 -0.0006365 0.0015451 0.0009684 0.9626877 50 Na 1.1175240 0.0110938 0.0013346 0.0060064 1.1032088 0.0006365 0.0015451 -0.0009684 0.9626877 51 Na 0.9249164 -0.0254496 0.0284471 -0.0121422 0.9750217 0.0383304 0.0492651 0.0157285 0.9612817 52 Na 0.9249164 0.0254496 0.0284471 0.0121422 0.9750217 -0.0383304 0.0492651 -0.0157285 0.9612817 53 Na 0.9249164 -0.0254496 0.0284471 -0.0121422 0.9750217 0.0383304 0.0492651 0.0157285 0.9612817 54 Na 0.9533757 0.0359419 0.0134875 0.0423113 0.9504596 0.0028778 0.0060925 0.0131677 1.0371949 55 Al 2.0637869 0.0019786 -0.0047345 -0.0349840 2.1011657 -0.0107662 0.0036523 0.0280412 2.1015726 56 Al 2.0637869 -0.0019786 -0.0047345 0.0349840 2.1011657 0.0107662 0.0036523 -0.0280412 2.1015726 57 Al 2.0637869 0.0019786 -0.0047345 -0.0349840 2.1011657 -0.0107662 0.0036523 0.0280412 2.1015726 58 Al 2.0637869 -0.0019786 -0.0047345 0.0349840 2.1011657 0.0107662 0.0036523 -0.0280412 2.1015726 59 Al 2.1620825 0.0185861 -0.0006203 -0.0279405 2.2746916 -0.0022712 -0.0000902 0.0025375 2.1518634 60 Al 2.1620825 -0.0185861 -0.0006203 0.0279405 2.2746916 0.0022712 -0.0000902 -0.0025375 2.1518634 61 Al 2.1620825 0.0185861 -0.0006203 -0.0279405 2.2746916 -0.0022712 -0.0000902 0.0025375 2.1518634 62 Al 2.1620825 -0.0185861 -0.0006203 0.0279405 2.2746916 0.0022712 -0.0000902 -0.0025375 2.1518634 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 2 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 305, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.076 ( 0.000 0.000 0.000) 0.000 1.286 ( 0.000 0.000 0.000) 0.000 1.395 ( 0.000 0.000 0.000) 0.000 1.446 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.657 ( 0.000 0.000 0.000) 0.000 2.657 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 3.523 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.215 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.354 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 0.000) 0.000 5.004 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 0.000 0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.254 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 5.577 ( 0.000 0.000 0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 5.866 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 5.891 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.170 ( 0.000 0.000 0.000) 0.000 6.296 ( 0.000 0.000 0.000) 0.000 6.354 ( 0.000 0.000 0.000) 0.000 6.443 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 0.000) 0.000 6.586 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.787 ( 0.000 0.000 0.000) 0.000 6.823 ( 0.000 0.000 0.000) 0.000 6.857 ( 0.000 0.000 0.000) 0.000 7.026 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 0.000) 0.000 7.202 ( 0.000 0.000 0.000) 0.000 7.203 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.349 ( 0.000 0.000 0.000) 0.000 7.467 ( 0.000 0.000 0.000) 0.000 7.486 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.536 ( 0.000 0.000 0.000) 0.000 7.550 ( 0.000 0.000 0.000) 0.000 7.628 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 0.000) 0.000 7.645 ( 0.000 0.000 0.000) 0.000 7.799 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 7.984 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 8.100 ( 0.000 0.000 0.000) 0.000 8.122 ( 0.000 0.000 0.000) 0.000 8.169 ( 0.000 0.000 0.000) 0.000 8.285 ( 0.000 0.000 0.000) 0.000 8.329 ( 0.000 0.000 0.000) 0.000 8.391 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.481 ( 0.000 0.000 0.000) 0.000 8.526 ( 0.000 0.000 0.000) 0.000 8.622 ( 0.000 0.000 0.000) 0.000 8.651 ( 0.000 0.000 0.000) 0.000 8.713 ( 0.000 0.000 0.000) 0.000 8.750 ( 0.000 0.000 0.000) 0.000 8.813 ( 0.000 0.000 0.000) 0.000 8.923 ( 0.000 0.000 0.000) 0.000 8.960 ( 0.000 0.000 0.000) 0.000 8.990 ( 0.000 0.000 0.000) 0.000 9.004 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 9.301 ( 0.000 0.000 0.000) 0.000 9.348 ( 0.000 0.000 0.000) 0.000 9.476 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 0.000 0.000) 0.000 9.564 ( 0.000 0.000 0.000) 0.000 9.585 ( 0.000 0.000 0.000) 0.000 9.674 ( 0.000 0.000 0.000) 0.000 9.892 ( 0.000 0.000 0.000) 0.000 10.004 ( 0.000 0.000 0.000) 0.000 10.044 ( 0.000 0.000 0.000) 0.000 10.128 ( 0.000 0.000 0.000) 0.000 10.209 ( 0.000 0.000 0.000) 0.000 10.484 ( 0.000 0.000 0.000) 0.000 10.815 ( 0.000 0.000 0.000) 0.000 11.026 ( 0.000 0.000 0.000) 0.000 11.653 ( 0.000 0.000 0.000) 0.000 11.757 ( 0.000 0.000 0.000) 0.000 11.812 ( 0.000 0.000 0.000) 0.000 12.177 ( 0.000 0.000 0.000) 0.000 12.273 ( 0.000 0.000 0.000) 0.000 12.294 ( 0.000 0.000 0.000) 0.000 12.508 ( 0.000 0.000 0.000) 0.000 12.539 ( 0.000 0.000 0.000) 0.000 12.564 ( 0.000 0.000 0.000) 0.000 12.576 ( 0.000 0.000 0.000) 0.000 12.807 ( 0.000 0.000 0.000) 0.000 12.828 ( 0.000 0.000 0.000) 0.000 12.952 ( 0.000 0.000 0.000) 0.000 13.161 ( 0.000 0.000 0.000) 0.000 13.168 ( 0.000 0.000 0.000) 0.000 13.247 ( 0.000 0.000 0.000) 0.000 13.343 ( 0.000 0.000 0.000) 0.000 13.653 ( 0.000 0.000 0.000) 0.000 14.831 ( 0.000 0.000 0.000) 0.000 14.860 ( 0.000 0.000 0.000) 0.000 15.502 ( 0.000 0.000 0.000) 0.000 15.508 ( 0.000 0.000 0.000) 0.000 16.081 ( 0.000 0.000 0.000) 0.000 16.157 ( 0.000 0.000 0.000) 0.000 20.551 ( 0.000 0.000 0.000) 0.000 20.686 ( 0.000 0.000 0.000) 0.000 20.802 ( 0.000 0.000 0.000) 0.000 20.858 ( 0.000 0.000 0.000) 0.000 21.432 ( 0.000 0.000 0.000) 0.000 21.546 ( 0.000 0.000 0.000) 0.000 21.728 ( 0.000 0.000 0.000) 0.000 21.744 ( 0.000 0.000 0.000) 0.000 21.760 ( 0.000 0.000 0.000) 0.000 21.966 ( 0.000 0.000 0.000) 0.000 22.012 ( 0.000 0.000 0.000) 0.000 22.020 ( 0.000 0.000 0.000) 0.000 22.034 ( 0.000 0.000 0.000) 0.000 22.039 ( 0.000 0.000 0.000) 0.000 22.083 ( 0.000 0.000 0.000) 0.000 22.088 ( 0.000 0.000 0.000) 0.000 22.832 ( 0.000 0.000 0.000) 0.000 22.835 ( 0.000 0.000 0.000) 0.000 22.844 ( 0.000 0.000 0.000) 0.000 22.847 ( 0.000 0.000 0.000) 0.000 24.246 ( 0.000 0.000 0.000) 0.000 25.108 ( 0.000 0.000 0.000) 0.000 25.203 ( 0.000 0.000 0.000) 0.000 25.312 ( 0.000 0.000 0.000) 0.000 25.530 ( 0.000 0.000 0.000) 0.000 25.559 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 31.698 0.000 12.710) 34.152 0.663 ( -25.806 0.000 -15.110) 29.904 0.744 ( 20.362 0.000 35.183) 40.650 1.260 ( 56.229 0.000 29.796) 63.636 1.478 ( 13.620 0.000 16.852) 21.668 1.515 ( 30.936 0.000 14.565) 34.193 1.594 ( 7.301 0.000 13.783) 15.598 1.746 ( 3.242 0.000 -1.486) 3.566 2.207 ( 25.397 0.000 3.246) 25.604 2.287 ( 13.879 0.000 7.506) 15.779 2.399 ( 8.295 0.000 3.087) 8.850 2.454 ( 13.024 0.000 3.088) 13.385 2.531 ( 4.761 0.000 -5.602) 7.352 2.591 ( 10.017 0.000 0.177) 10.019 2.667 ( 8.823 0.000 -4.511) 9.909 2.798 ( 5.686 0.000 -1.033) 5.779 2.827 ( 9.393 0.000 0.979) 9.444 2.857 ( -0.148 0.000 -6.155) 6.157 2.965 ( 3.910 0.000 2.578) 4.683 3.014 ( 5.204 0.000 -3.463) 6.250 3.094 ( -4.223 0.000 1.982) 4.665 3.146 ( 1.008 0.000 -0.907) 1.356 3.236 ( -3.253 0.000 3.933) 5.104 3.280 ( -2.076 0.000 -0.158) 2.082 3.461 ( -4.015 0.000 -4.862) 6.306 3.495 ( -3.733 0.000 1.751) 4.123 3.533 ( -6.004 0.000 -1.859) 6.285 3.623 ( 5.701 0.000 -3.574) 6.729 3.705 ( 1.192 0.000 -3.233) 3.446 3.751 ( -1.578 0.000 -4.906) 5.153 3.777 ( -0.114 0.000 -1.032) 1.038 3.965 ( 1.282 0.000 1.750) 2.169 3.978 ( -1.447 0.000 -4.411) 4.642 4.025 ( 5.430 0.000 0.337) 5.440 4.050 ( 10.635 0.000 -0.148) 10.636 4.087 ( -3.040 0.000 -1.283) 3.300 4.110 ( 9.063 0.000 -2.630) 9.437 4.170 ( 2.347 0.000 13.104) 13.313 4.179 ( -2.907 0.000 -1.066) 3.096 4.249 ( -0.436 0.000 3.019) 3.050 4.331 ( -2.813 0.000 1.297) 3.098 4.397 ( -2.256 0.000 7.738) 8.060 4.444 ( 3.001 0.000 -1.771) 3.484 4.467 ( 7.552 0.000 -0.371) 7.561 4.569 ( 9.626 0.000 1.009) 9.678 4.586 ( 10.786 0.000 1.274) 10.861 4.687 ( 6.551 0.000 -1.178) 6.656 4.726 ( -6.280 0.000 -0.226) 6.284 4.792 ( 11.124 0.000 -7.426) 13.375 4.835 ( 3.255 0.000 -4.778) 5.782 4.866 ( 4.514 0.000 7.442) 8.704 4.945 ( 3.587 0.000 -4.728) 5.935 4.972 ( 9.116 0.000 4.423) 10.132 5.075 ( -0.920 0.000 -0.438) 1.019 5.127 ( 5.887 0.000 0.540) 5.911 5.157 ( 1.754 0.000 -4.832) 5.141 5.291 ( 2.947 0.000 1.886) 3.499 5.310 ( -1.422 0.000 4.444) 4.666 5.356 ( 2.477 0.000 -9.315) 9.639 5.492 ( -1.470 0.000 0.047) 1.471 5.548 ( -2.747 0.000 -0.704) 2.835 5.562 ( 3.411 0.000 0.775) 3.498 5.682 ( 0.040 0.000 0.377) 0.379 5.745 ( -4.591 0.000 -7.424) 8.729 5.851 ( -1.063 0.000 -0.836) 1.352 5.902 ( 2.695 0.000 2.213) 3.487 6.028 ( 4.452 0.000 0.525) 4.482 6.099 ( 0.210 0.000 -3.693) 3.699 6.121 ( -0.301 0.000 -6.611) 6.618 6.143 ( -3.821 0.000 1.440) 4.084 6.262 ( -1.225 0.000 1.577) 1.997 6.347 ( 2.375 0.000 11.249) 11.497 6.353 ( -3.430 0.000 0.128) 3.432 6.430 ( -0.267 0.000 -2.467) 2.481 6.486 ( 0.332 0.000 1.427) 1.465 6.512 ( -1.520 0.000 2.231) 2.700 6.538 ( 2.178 0.000 1.920) 2.904 6.578 ( -2.371 0.000 3.084) 3.890 6.670 ( 1.045 0.000 -1.715) 2.008 6.758 ( -3.701 0.000 0.077) 3.701 6.801 ( -0.728 0.000 -3.990) 4.056 6.890 ( 2.476 0.000 0.288) 2.493 6.928 ( -5.502 0.000 -5.556) 7.819 7.022 ( -7.611 0.000 -0.772) 7.650 7.084 ( -6.211 0.000 -3.120) 6.951 7.089 ( -5.505 0.000 -0.730) 5.553 7.109 ( -2.845 0.000 -6.121) 6.750 7.238 ( 1.865 0.000 0.122) 1.869 7.284 ( -12.114 0.000 -6.424) 13.712 7.354 ( -6.349 0.000 -6.479) 9.071 7.426 ( -3.250 0.000 -3.720) 4.940 7.441 ( -5.029 0.000 -2.643) 5.681 7.474 ( -5.379 0.000 -7.764) 9.445 7.496 ( -8.819 0.000 -7.496) 11.574 7.565 ( 0.379 0.000 1.037) 1.104 7.590 ( -2.430 0.000 -0.160) 2.435 7.607 ( 3.913 0.000 -0.497) 3.944 7.789 ( -0.704 0.000 -0.111) 0.713 7.794 ( 8.048 0.000 -18.997) 20.631 7.819 ( -2.352 0.000 -1.975) 3.071 7.944 ( 1.162 0.000 -3.321) 3.518 7.948 ( -2.580 0.000 -1.360) 2.917 8.085 ( -1.349 0.000 -0.933) 1.640 8.114 ( 0.589 0.000 0.535) 0.795 8.193 ( 1.718 0.000 -2.968) 3.429 8.318 ( -1.489 0.000 -1.384) 2.033 8.351 ( 0.568 0.000 1.262) 1.383 8.381 ( -1.161 0.000 -5.938) 6.051 8.464 ( 3.069 0.000 3.066) 4.338 8.518 ( 1.096 0.000 3.937) 4.086 8.620 ( -4.817 0.000 2.883) 5.614 8.624 ( -1.183 0.000 2.708) 2.955 8.659 ( -6.901 0.000 9.479) 11.725 8.706 ( -1.687 0.000 5.972) 6.205 8.786 ( 1.844 0.000 0.722) 1.980 8.836 ( -4.554 0.000 -8.696) 9.816 8.933 ( 0.989 0.000 0.917) 1.348 9.014 ( -4.202 0.000 3.254) 5.314 9.045 ( 7.042 0.000 3.231) 7.747 9.070 ( 1.600 0.000 7.082) 7.260 9.250 ( -1.555 0.000 -5.683) 5.892 9.326 ( 3.417 0.000 5.045) 6.093 9.469 ( 1.353 0.000 2.814) 3.123 9.494 ( -4.012 0.000 -1.298) 4.217 9.556 ( 5.697 0.000 -1.906) 6.007 9.604 ( 7.966 0.000 0.510) 7.982 9.801 ( 4.862 0.000 7.178) 8.670 9.937 ( 0.824 0.000 4.348) 4.425 9.985 ( -1.764 0.000 -0.712) 1.902 9.996 ( 4.575 0.000 -0.903) 4.663 10.100 ( 0.117 0.000 2.128) 2.131 10.211 ( -0.953 0.000 2.012) 2.226 10.389 ( -12.664 0.000 5.258) 13.712 10.445 ( -4.392 0.000 -0.360) 4.407 10.803 ( -2.278 0.000 0.010) 2.278 10.903 ( -13.247 0.000 -1.109) 13.293 11.650 ( -1.248 0.000 1.504) 1.954 11.729 ( -1.536 0.000 -2.676) 3.086 11.789 ( -3.281 0.000 0.674) 3.349 12.009 ( -13.532 0.000 -3.121) 13.887 12.185 ( -9.899 0.000 0.510) 9.912 12.343 ( 3.433 0.000 1.210) 3.640 12.407 ( -18.954 0.000 -5.055) 19.617 12.480 ( -0.798 0.000 -3.786) 3.870 12.512 ( 1.326 0.000 -3.931) 4.148 12.732 ( 3.307 0.000 0.604) 3.362 12.786 ( -2.806 0.000 -7.557) 8.061 12.920 ( 8.068 0.000 -12.057) 14.508 13.005 ( 6.061 0.000 -9.188) 11.007 13.134 ( 0.055 0.000 -3.874) 3.874 13.262 ( 5.246 0.000 -0.215) 5.250 13.348 ( -9.452 0.000 -1.064) 9.511 13.421 ( 6.652 0.000 2.581) 7.135 13.500 ( -8.417 0.000 1.543) 8.558 14.742 ( -3.626 0.000 -6.950) 7.839 14.830 ( -1.247 0.000 -3.582) 3.792 15.511 ( 2.291 0.000 -2.566) 3.440 15.513 ( 1.729 0.000 -3.645) 4.035 16.073 ( -0.437 0.000 -1.013) 1.103 16.167 ( 1.365 0.000 -2.113) 2.516 20.553 ( 0.748 0.000 -1.035) 1.277 20.712 ( -2.138 0.000 -5.997) 6.367 20.769 ( -4.721 0.000 -3.916) 6.134 20.836 ( 0.889 0.000 -6.971) 7.028 21.515 ( 7.044 0.000 -0.330) 7.052 21.564 ( 2.724 0.000 -0.806) 2.840 21.741 ( 0.505 0.000 -3.087) 3.128 21.800 ( 7.314 0.000 -7.999) 10.839 21.882 ( 2.349 0.000 -11.364) 11.605 21.899 ( 8.950 0.000 -12.927) 15.723 22.086 ( 3.094 0.000 5.647) 6.439 22.116 ( 1.833 0.000 3.170) 3.662 22.139 ( 5.975 0.000 2.392) 6.436 22.201 ( 6.783 0.000 5.600) 8.796 22.228 ( 11.555 0.000 16.039) 19.768 22.601 ( 13.184 0.000 -12.397) 18.097 22.852 ( 0.955 0.000 3.771) 3.890 22.862 ( 1.708 0.000 2.690) 3.187 22.982 ( 2.045 0.000 19.233) 19.341 23.445 ( -32.079 0.000 57.935) 66.223 24.222 ( -2.073 0.000 -1.118) 2.355 25.048 ( -18.710 0.000 -7.682) 20.226 25.075 ( -9.062 0.000 -2.378) 9.368 25.331 ( -3.857 0.000 -6.278) 7.368 25.626 ( 7.623 0.000 -2.852) 8.140 25.785 ( 5.462 0.000 -16.038) 16.942 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 38.788 0.000 13.872) 41.194 1.213 ( 19.104 0.000 5.832) 19.974 1.450 ( 20.692 0.000 34.926) 40.595 1.908 ( 15.828 0.000 7.969) 17.720 1.916 ( 11.343 0.000 18.488) 21.690 1.934 ( 11.726 0.000 28.519) 30.835 2.166 ( 29.018 0.000 4.184) 29.318 2.323 ( 24.457 0.000 11.591) 27.065 2.501 ( 17.329 0.000 3.802) 17.741 2.526 ( 5.640 0.000 10.448) 11.873 2.537 ( 16.193 0.000 3.370) 16.539 2.631 ( 11.994 0.000 -3.292) 12.437 2.722 ( -1.160 0.000 -10.192) 10.258 2.770 ( 19.410 0.000 -6.087) 20.342 2.833 ( 8.430 0.000 4.532) 9.571 2.882 ( 1.088 0.000 -2.844) 3.045 2.893 ( 12.858 0.000 -4.666) 13.678 2.964 ( 14.757 0.000 3.493) 15.165 2.992 ( -1.230 0.000 2.390) 2.688 3.011 ( 2.657 0.000 0.669) 2.740 3.174 ( 1.254 0.000 3.247) 3.481 3.216 ( 7.008 0.000 6.722) 9.710 3.269 ( -3.838 0.000 -3.466) 5.171 3.353 ( 11.458 0.000 -4.404) 12.275 3.399 ( 13.377 0.000 -4.691) 14.176 3.480 ( 2.812 0.000 3.785) 4.715 3.501 ( 2.910 0.000 -1.562) 3.303 3.556 ( -4.959 0.000 -6.727) 8.357 3.690 ( 4.107 0.000 -2.076) 4.601 3.719 ( -0.198 0.000 0.015) 0.199 3.759 ( -0.130 0.000 -0.757) 0.768 3.921 ( 4.287 0.000 -4.384) 6.132 4.017 ( 1.536 0.000 2.952) 3.328 4.029 ( -1.493 0.000 0.618) 1.616 4.092 ( 4.203 0.000 -5.520) 6.938 4.191 ( 7.834 0.000 0.155) 7.836 4.210 ( -1.719 0.000 0.238) 1.735 4.272 ( 0.458 0.000 -0.308) 0.551 4.276 ( -1.434 0.000 7.163) 7.305 4.325 ( 7.511 0.000 2.766) 8.004 4.339 ( 13.750 0.000 0.322) 13.753 4.442 ( -0.645 0.000 8.353) 8.378 4.499 ( 4.743 0.000 4.163) 6.311 4.576 ( -3.322 0.000 -3.140) 4.571 4.691 ( 9.364 0.000 4.743) 10.497 4.711 ( 5.466 0.000 -3.762) 6.635 4.803 ( 6.609 0.000 -7.244) 9.806 4.839 ( 9.096 0.000 -2.850) 9.532 4.862 ( 3.687 0.000 6.097) 7.125 4.959 ( 15.756 0.000 6.042) 16.875 4.998 ( -1.856 0.000 -4.268) 4.654 5.007 ( 5.441 0.000 1.869) 5.753 5.068 ( 12.262 0.000 -4.272) 12.985 5.122 ( 2.922 0.000 -1.898) 3.485 5.165 ( -3.239 0.000 -2.242) 3.939 5.185 ( 8.913 0.000 2.543) 9.269 5.333 ( 1.079 0.000 -0.202) 1.098 5.369 ( 12.255 0.000 -4.103) 12.924 5.375 ( 2.997 0.000 2.093) 3.656 5.528 ( 1.440 0.000 0.823) 1.659 5.536 ( 3.150 0.000 0.150) 3.153 5.569 ( -0.609 0.000 0.092) 0.616 5.668 ( 2.026 0.000 -3.462) 4.011 5.761 ( 6.277 0.000 0.326) 6.285 5.834 ( -0.119 0.000 -0.361) 0.380 5.914 ( -7.252 0.000 -7.281) 10.277 5.984 ( 4.803 0.000 -1.341) 4.986 6.063 ( -0.313 0.000 -2.131) 2.154 6.111 ( -0.821 0.000 -1.751) 1.934 6.187 ( 3.347 0.000 -0.962) 3.482 6.258 ( -1.701 0.000 -1.720) 2.419 6.267 ( -0.816 0.000 3.587) 3.679 6.330 ( -11.819 0.000 -1.083) 11.868 6.442 ( -1.003 0.000 2.050) 2.282 6.464 ( 0.349 0.000 -1.201) 1.251 6.469 ( -3.294 0.000 -1.221) 3.513 6.585 ( -2.500 0.000 4.876) 5.480 6.616 ( 2.115 0.000 4.254) 4.751 6.669 ( 0.465 0.000 1.531) 1.600 6.735 ( -9.708 0.000 -2.347) 9.988 6.747 ( -3.672 0.000 1.386) 3.925 6.790 ( 2.444 0.000 2.497) 3.494 6.818 ( -10.205 0.000 -6.946) 12.344 6.899 ( -3.376 0.000 -2.447) 4.170 6.920 ( -7.753 0.000 -6.662) 10.222 6.937 ( -9.239 0.000 -11.088) 14.433 7.003 ( -1.564 0.000 -2.179) 2.682 7.010 ( -3.875 0.000 -8.296) 9.157 7.098 ( -10.382 0.000 -6.867) 12.448 7.227 ( -8.702 0.000 -1.142) 8.776 7.289 ( -2.047 0.000 0.885) 2.230 7.290 ( -4.534 0.000 -3.327) 5.624 7.386 ( -1.291 0.000 -1.559) 2.024 7.407 ( 1.165 0.000 -5.439) 5.563 7.566 ( -0.709 0.000 -1.517) 1.675 7.592 ( -1.606 0.000 2.085) 2.632 7.648 ( 4.485 0.000 0.582) 4.522 7.693 ( -3.487 0.000 -2.551) 4.321 7.752 ( -2.993 0.000 -0.416) 3.022 7.787 ( -4.821 0.000 1.043) 4.933 7.913 ( -0.053 0.000 -0.985) 0.986 8.008 ( 4.662 0.000 2.153) 5.136 8.051 ( -1.559 0.000 -2.703) 3.120 8.147 ( 2.194 0.000 0.653) 2.289 8.159 ( -1.379 0.000 -2.646) 2.984 8.258 ( -3.133 0.000 -1.410) 3.435 8.281 ( -2.737 0.000 -6.453) 7.009 8.350 ( -1.018 0.000 -0.447) 1.112 8.484 ( -1.074 0.000 -2.347) 2.581 8.499 ( -4.839 0.000 -0.999) 4.941 8.547 ( -5.765 0.000 -0.089) 5.766 8.595 ( -7.731 0.000 3.804) 8.616 8.625 ( -3.527 0.000 4.046) 5.367 8.674 ( -5.944 0.000 -5.974) 8.427 8.738 ( -1.261 0.000 4.634) 4.803 8.857 ( 3.824 0.000 2.570) 4.607 8.947 ( -5.429 0.000 0.883) 5.500 8.967 ( 0.889 0.000 1.651) 1.875 9.110 ( 0.155 0.000 -2.351) 2.356 9.139 ( 0.710 0.000 -6.856) 6.893 9.222 ( 3.720 0.000 2.681) 4.585 9.370 ( 1.614 0.000 1.823) 2.435 9.410 ( -3.472 0.000 -2.294) 4.161 9.580 ( 3.320 0.000 3.094) 4.538 9.620 ( 3.590 0.000 -3.185) 4.799 9.737 ( 2.570 0.000 6.151) 6.666 9.862 ( -3.888 0.000 1.500) 4.167 9.945 ( -2.649 0.000 -0.442) 2.686 9.949 ( -0.890 0.000 -1.015) 1.349 10.060 ( 1.953 0.000 -1.167) 2.275 10.146 ( 1.545 0.000 3.971) 4.261 10.206 ( -2.798 0.000 1.984) 3.430 10.214 ( -8.985 0.000 1.679) 9.141 10.339 ( -6.948 0.000 -0.743) 6.988 10.610 ( -18.072 0.000 -1.538) 18.137 10.706 ( -8.297 0.000 -2.351) 8.624 11.635 ( -2.644 0.000 0.586) 2.708 11.659 ( -3.337 0.000 -3.145) 4.585 11.735 ( -3.648 0.000 1.376) 3.898 11.748 ( -12.526 0.000 -1.331) 12.597 11.953 ( -16.152 0.000 -0.353) 16.156 12.189 ( -2.901 0.000 -1.597) 3.312 12.389 ( 1.690 0.000 -1.792) 2.463 12.441 ( 0.915 0.000 -2.991) 3.128 12.514 ( 3.061 0.000 -3.534) 4.675 12.603 ( -10.066 0.000 -4.994) 11.237 12.767 ( 1.056 0.000 -2.041) 2.298 12.946 ( 4.388 0.000 -7.299) 8.517 13.015 ( 5.646 0.000 -8.318) 10.053 13.071 ( -6.847 0.000 -8.151) 10.645 13.116 ( -2.844 0.000 -1.077) 3.041 13.314 ( 2.080 0.000 -0.958) 2.290 13.495 ( 0.645 0.000 1.504) 1.637 13.536 ( 5.380 0.000 -1.068) 5.485 14.645 ( -0.035 0.000 -6.380) 6.380 14.765 ( -0.993 0.000 -5.271) 5.364 15.489 ( 0.756 0.000 -5.112) 5.167 15.530 ( 3.039 0.000 -3.327) 4.506 16.051 ( -0.609 0.000 -1.489) 1.608 16.145 ( -0.860 0.000 -3.398) 3.505 20.554 ( 1.065 0.000 -1.968) 2.238 20.638 ( -1.061 0.000 -3.944) 4.085 20.680 ( -1.777 0.000 -3.419) 3.853 20.758 ( -2.104 0.000 -4.964) 5.391 21.617 ( 5.869 0.000 -1.141) 5.979 21.632 ( 5.670 0.000 -1.704) 5.921 21.738 ( 2.402 0.000 -2.435) 3.421 21.841 ( 5.602 0.000 -5.417) 7.793 21.842 ( 3.128 0.000 -7.430) 8.062 21.921 ( 4.979 0.000 -6.959) 8.557 22.192 ( 2.806 0.000 4.849) 5.603 22.208 ( 3.661 0.000 6.145) 7.153 22.275 ( 7.005 0.000 1.690) 7.206 22.343 ( 5.954 0.000 1.683) 6.187 22.582 ( 12.079 0.000 12.478) 17.366 22.742 ( 9.486 0.000 1.033) 9.542 22.927 ( 2.505 0.000 5.353) 5.910 22.939 ( 2.730 0.000 4.992) 5.689 23.200 ( 1.176 0.000 18.801) 18.838 23.468 ( -13.079 0.000 26.339) 29.407 24.164 ( -3.072 0.000 -1.639) 3.482 24.663 ( -16.798 0.000 -6.792) 18.119 24.917 ( -6.544 0.000 -2.775) 7.108 25.152 ( -8.696 0.000 -6.800) 11.039 25.660 ( 1.319 0.000 -5.528) 5.683 25.711 ( 0.252 0.000 -9.391) 9.395 ======================= Grid point 3 (4/104) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -7.394 0.000 -8.779) 11.478 1.633 ( 33.959 0.000 12.848) 36.308 2.088 ( 18.557 0.000 28.503) 34.012 2.273 ( 14.424 0.000 6.937) 16.005 2.281 ( 10.973 0.000 16.125) 19.504 2.437 ( 11.023 0.000 31.915) 33.765 2.449 ( 1.569 0.000 -0.536) 1.658 2.594 ( 11.550 0.000 5.258) 12.691 2.610 ( 5.374 0.000 -7.948) 9.594 2.642 ( 4.034 0.000 1.656) 4.361 2.656 ( 1.080 0.000 -0.857) 1.379 2.698 ( 3.766 0.000 6.048) 7.125 2.731 ( -6.243 0.000 -0.292) 6.250 2.802 ( 1.738 0.000 -2.680) 3.194 2.906 ( -2.665 0.000 -1.626) 3.122 2.990 ( 1.901 0.000 4.125) 4.542 3.056 ( 11.817 0.000 -2.661) 12.113 3.134 ( 0.479 0.000 0.956) 1.069 3.192 ( 19.008 0.000 -1.768) 19.090 3.292 ( 8.489 0.000 1.311) 8.590 3.312 ( 14.708 0.000 5.632) 15.750 3.391 ( 0.172 0.000 -7.622) 7.624 3.395 ( 9.843 0.000 -4.732) 10.921 3.513 ( 14.485 0.000 1.856) 14.603 3.522 ( 19.908 0.000 -2.082) 20.016 3.542 ( 10.765 0.000 0.808) 10.795 3.608 ( 15.526 0.000 1.969) 15.650 3.664 ( 11.724 0.000 1.198) 11.785 3.691 ( -3.116 0.000 0.816) 3.221 3.794 ( 8.486 0.000 -2.064) 8.733 3.809 ( 9.066 0.000 0.299) 9.071 3.972 ( 1.335 0.000 -1.996) 2.401 4.005 ( 0.175 0.000 -4.208) 4.211 4.138 ( 4.611 0.000 -1.254) 4.779 4.138 ( 7.679 0.000 3.703) 8.525 4.211 ( -3.062 0.000 4.600) 5.526 4.240 ( -2.449 0.000 2.006) 3.165 4.293 ( 4.736 0.000 -4.568) 6.580 4.332 ( 12.430 0.000 -0.410) 12.437 4.398 ( -0.236 0.000 2.014) 2.028 4.545 ( 3.452 0.000 7.598) 8.346 4.567 ( 7.161 0.000 -2.416) 7.558 4.664 ( -0.640 0.000 1.698) 1.815 4.669 ( 13.953 0.000 4.598) 14.691 4.696 ( 8.855 0.000 1.846) 9.046 4.771 ( 1.190 0.000 -1.603) 1.997 4.849 ( 1.955 0.000 -0.334) 1.984 4.894 ( -1.369 0.000 -0.370) 1.418 4.921 ( 1.260 0.000 1.847) 2.236 5.002 ( -2.155 0.000 -2.090) 3.002 5.032 ( 8.487 0.000 -4.229) 9.482 5.143 ( 5.696 0.000 0.982) 5.780 5.210 ( 4.520 0.000 1.480) 4.756 5.220 ( 1.940 0.000 -0.128) 1.944 5.240 ( 5.816 0.000 1.008) 5.903 5.321 ( 5.525 0.000 0.889) 5.596 5.356 ( 3.545 0.000 2.243) 4.195 5.467 ( 1.858 0.000 1.316) 2.277 5.477 ( -0.649 0.000 -3.096) 3.164 5.535 ( 5.182 0.000 2.207) 5.632 5.551 ( 0.355 0.000 -0.848) 0.920 5.642 ( -4.280 0.000 -6.040) 7.403 5.724 ( 9.052 0.000 2.948) 9.520 5.760 ( -9.219 0.000 -0.614) 9.239 5.800 ( 4.831 0.000 -4.560) 6.643 5.836 ( 2.464 0.000 -5.608) 6.125 5.906 ( -10.048 0.000 -3.409) 10.610 6.038 ( -3.024 0.000 -3.538) 4.654 6.066 ( 3.149 0.000 -1.922) 3.689 6.179 ( 3.103 0.000 0.569) 3.154 6.191 ( -7.910 0.000 -6.389) 10.168 6.201 ( -0.933 0.000 -4.915) 5.003 6.368 ( 9.395 0.000 1.194) 9.471 6.370 ( -10.272 0.000 -7.827) 12.914 6.407 ( -8.327 0.000 -1.792) 8.518 6.427 ( 1.727 0.000 -3.520) 3.921 6.469 ( -1.143 0.000 -6.411) 6.512 6.588 ( 2.612 0.000 2.374) 3.530 6.621 ( -1.387 0.000 1.807) 2.278 6.684 ( -5.857 0.000 -8.284) 10.145 6.703 ( -4.051 0.000 2.396) 4.706 6.704 ( 3.955 0.000 1.750) 4.325 6.792 ( 1.290 0.000 1.084) 1.685 6.793 ( 0.516 0.000 4.059) 4.091 6.852 ( 1.379 0.000 -0.814) 1.602 6.870 ( 2.434 0.000 2.623) 3.579 6.965 ( 2.446 0.000 1.007) 2.645 6.974 ( -1.264 0.000 5.758) 5.895 6.998 ( -0.011 0.000 2.679) 2.679 7.205 ( 3.706 0.000 5.559) 6.681 7.244 ( -2.429 0.000 2.271) 3.325 7.268 ( -0.691 0.000 -1.782) 1.911 7.372 ( -0.137 0.000 2.272) 2.277 7.392 ( 2.730 0.000 -3.662) 4.568 7.500 ( -7.264 0.000 -0.992) 7.331 7.549 ( 0.366 0.000 -1.723) 1.761 7.617 ( -4.894 0.000 0.083) 4.894 7.682 ( -4.784 0.000 -0.985) 4.884 7.712 ( -3.640 0.000 0.372) 3.659 7.790 ( 6.606 0.000 2.387) 7.024 7.929 ( -0.382 0.000 -2.920) 2.945 7.971 ( -0.635 0.000 -1.114) 1.283 8.055 ( -0.906 0.000 0.176) 0.922 8.097 ( -7.388 0.000 -1.767) 7.596 8.117 ( -1.468 0.000 -3.218) 3.538 8.202 ( -1.260 0.000 0.367) 1.312 8.230 ( -6.265 0.000 -2.398) 6.708 8.327 ( -0.289 0.000 -2.029) 2.049 8.343 ( -6.855 0.000 -1.182) 6.956 8.355 ( -7.904 0.000 -5.840) 9.827 8.462 ( -5.239 0.000 1.913) 5.577 8.495 ( -5.532 0.000 -2.601) 6.113 8.564 ( -8.331 0.000 4.313) 9.382 8.568 ( -1.093 0.000 -0.542) 1.220 8.759 ( -0.749 0.000 2.148) 2.275 8.865 ( -3.449 0.000 -1.734) 3.860 8.908 ( -0.418 0.000 0.850) 0.947 8.967 ( -3.044 0.000 1.693) 3.483 9.037 ( -2.457 0.000 -7.840) 8.216 9.075 ( 1.570 0.000 -8.495) 8.639 9.218 ( -2.447 0.000 -6.232) 6.695 9.390 ( -0.232 0.000 2.947) 2.956 9.448 ( 3.688 0.000 2.917) 4.702 9.557 ( -4.526 0.000 -3.679) 5.833 9.592 ( -1.354 0.000 -6.643) 6.780 9.760 ( -6.369 0.000 -1.225) 6.486 9.802 ( -4.015 0.000 6.168) 7.359 9.845 ( -2.177 0.000 -7.304) 7.621 9.913 ( -2.134 0.000 -0.732) 2.256 9.998 ( -5.872 0.000 0.673) 5.911 10.095 ( -10.943 0.000 -2.274) 11.177 10.179 ( -2.172 0.000 4.907) 5.366 10.211 ( -7.401 0.000 -2.458) 7.799 10.213 ( 2.370 0.000 2.159) 3.206 10.360 ( -9.476 0.000 2.791) 9.879 10.524 ( -8.612 0.000 -1.680) 8.774 11.504 ( -8.272 0.000 -2.558) 8.659 11.569 ( -4.527 0.000 -0.938) 4.623 11.655 ( -2.141 0.000 1.233) 2.471 11.666 ( -6.044 0.000 -0.319) 6.053 11.778 ( -3.692 0.000 0.744) 3.767 12.165 ( 0.081 0.000 -0.754) 0.758 12.333 ( -4.319 0.000 -7.684) 8.815 12.426 ( -1.974 0.000 -1.469) 2.461 12.465 ( -0.830 0.000 2.406) 2.546 12.546 ( 3.606 0.000 -1.850) 4.053 12.742 ( -1.016 0.000 -2.248) 2.467 12.843 ( -3.284 0.000 -8.457) 9.073 13.009 ( 0.894 0.000 0.062) 0.896 13.043 ( 5.323 0.000 -4.946) 7.266 13.092 ( 0.304 0.000 -2.245) 2.265 13.316 ( -0.116 0.000 -2.030) 2.034 13.509 ( 0.595 0.000 -0.934) 1.107 13.585 ( 2.837 0.000 -2.591) 3.842 14.610 ( 1.609 0.000 -4.455) 4.737 14.705 ( -0.272 0.000 -4.796) 4.804 15.452 ( 0.371 0.000 -4.263) 4.279 15.545 ( 2.328 0.000 -3.099) 3.876 16.028 ( -0.475 0.000 -1.315) 1.398 16.082 ( -2.354 0.000 -3.304) 4.056 20.549 ( 0.728 0.000 -2.236) 2.352 20.599 ( -0.086 0.000 -2.362) 2.363 20.636 ( -0.292 0.000 -2.483) 2.500 20.689 ( -1.410 0.000 -3.045) 3.355 21.691 ( 4.255 0.000 -1.275) 4.442 21.702 ( 4.487 0.000 -1.802) 4.835 21.769 ( 3.217 0.000 -1.512) 3.554 21.833 ( 2.187 0.000 -4.119) 4.664 21.884 ( 4.134 0.000 -3.148) 5.196 21.935 ( 3.286 0.000 -4.396) 5.488 22.284 ( 2.907 0.000 3.864) 4.835 22.322 ( 2.974 0.000 5.478) 6.233 22.386 ( 5.054 0.000 -0.028) 5.055 22.435 ( 3.802 0.000 0.593) 3.848 22.849 ( 8.414 0.000 7.451) 11.239 22.915 ( 7.499 0.000 3.952) 8.476 23.025 ( 2.701 0.000 5.135) 5.802 23.036 ( 2.317 0.000 5.588) 6.050 23.370 ( 1.226 0.000 12.516) 12.576 23.507 ( -5.581 0.000 14.377) 15.423 24.096 ( -2.969 0.000 -1.552) 3.350 24.381 ( -10.470 0.000 -4.331) 11.330 24.804 ( -4.042 0.000 -2.284) 4.643 24.944 ( -8.253 0.000 -5.643) 9.998 25.591 ( -2.265 0.000 -5.567) 6.010 25.622 ( -1.601 0.000 -6.347) 6.546 ======================= Grid point 4 (5/104) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -14.133 0.000 -11.424) 18.173 2.092 ( 10.546 0.000 5.009) 11.675 2.444 ( 2.398 0.000 1.531) 2.845 2.448 ( -2.671 0.000 -0.031) 2.671 2.486 ( 2.481 0.000 0.201) 2.489 2.534 ( 3.570 0.000 5.450) 6.516 2.549 ( 3.365 0.000 -6.989) 7.757 2.593 ( 7.644 0.000 1.492) 7.788 2.672 ( -5.851 0.000 2.439) 6.339 2.728 ( 0.692 0.000 16.797) 16.812 2.733 ( 0.789 0.000 -0.795) 1.120 2.775 ( -2.605 0.000 5.380) 5.977 2.875 ( 5.697 0.000 25.575) 26.202 2.914 ( 7.391 0.000 -1.105) 7.473 2.968 ( 5.869 0.000 6.526) 8.777 3.084 ( 1.086 0.000 -2.678) 2.890 3.156 ( 7.391 0.000 7.174) 10.300 3.251 ( 4.073 0.000 4.799) 6.294 3.304 ( 1.219 0.000 -4.643) 4.801 3.352 ( 3.511 0.000 -0.353) 3.529 3.455 ( 16.851 0.000 -3.430) 17.196 3.564 ( 8.345 0.000 -2.431) 8.692 3.614 ( 12.635 0.000 -5.973) 13.976 3.631 ( -0.922 0.000 -0.537) 1.067 3.631 ( 14.147 0.000 -5.019) 15.011 3.736 ( 9.831 0.000 -1.291) 9.915 3.751 ( 2.179 0.000 -1.655) 2.736 3.761 ( 2.376 0.000 -1.174) 2.650 3.870 ( 3.691 0.000 -5.765) 6.845 3.877 ( 8.280 0.000 3.866) 9.138 4.000 ( 12.628 0.000 1.778) 12.753 4.059 ( 6.572 0.000 0.616) 6.600 4.065 ( 7.369 0.000 3.614) 8.208 4.152 ( -1.472 0.000 2.014) 2.494 4.185 ( -0.895 0.000 2.443) 2.602 4.241 ( 2.091 0.000 2.864) 3.546 4.321 ( 8.969 0.000 0.731) 8.998 4.369 ( 9.626 0.000 -6.679) 11.716 4.438 ( 2.431 0.000 2.060) 3.186 4.534 ( 1.632 0.000 -0.254) 1.652 4.546 ( -3.746 0.000 -0.350) 3.763 4.661 ( 1.881 0.000 5.744) 6.044 4.688 ( 2.296 0.000 2.101) 3.112 4.801 ( 2.136 0.000 -1.976) 2.910 4.821 ( 5.662 0.000 -1.168) 5.781 4.865 ( 4.163 0.000 1.552) 4.443 4.908 ( 1.789 0.000 -1.310) 2.217 4.912 ( 6.248 0.000 0.053) 6.248 4.968 ( -1.293 0.000 7.057) 7.174 4.974 ( 0.304 0.000 0.526) 0.608 5.064 ( -1.020 0.000 -3.545) 3.689 5.138 ( -5.031 0.000 -2.867) 5.791 5.189 ( -5.690 0.000 -5.647) 8.017 5.259 ( -4.837 0.000 0.443) 4.857 5.274 ( 5.022 0.000 0.309) 5.032 5.319 ( -8.069 0.000 -3.232) 8.692 5.374 ( -0.412 0.000 -1.147) 1.218 5.417 ( -4.732 0.000 -5.220) 7.046 5.497 ( 2.422 0.000 1.703) 2.960 5.507 ( 7.031 0.000 1.949) 7.297 5.577 ( 1.027 0.000 2.448) 2.655 5.587 ( -6.256 0.000 1.424) 6.416 5.662 ( -4.399 0.000 -2.683) 5.152 5.727 ( -13.420 0.000 -7.642) 15.443 5.750 ( -0.420 0.000 1.625) 1.679 5.787 ( 2.268 0.000 -4.402) 4.952 5.835 ( 6.558 0.000 -6.952) 9.557 5.927 ( -1.258 0.000 -2.142) 2.484 5.954 ( -4.569 0.000 0.292) 4.578 6.102 ( -5.690 0.000 -4.583) 7.307 6.126 ( -4.295 0.000 0.231) 4.302 6.188 ( -1.523 0.000 -1.924) 2.454 6.225 ( 1.242 0.000 -3.245) 3.475 6.300 ( 1.840 0.000 2.135) 2.818 6.509 ( -4.563 0.000 7.927) 9.147 6.562 ( 1.611 0.000 -5.201) 5.444 6.563 ( 10.449 0.000 -1.740) 10.593 6.599 ( 16.892 0.000 3.434) 17.237 6.631 ( 4.754 0.000 0.291) 4.763 6.688 ( 5.653 0.000 -4.817) 7.427 6.707 ( 4.226 0.000 1.329) 4.430 6.802 ( -0.847 0.000 -0.383) 0.929 6.884 ( 9.195 0.000 6.790) 11.430 6.905 ( 5.966 0.000 1.398) 6.127 6.922 ( 2.539 0.000 2.727) 3.726 6.978 ( 2.733 0.000 5.786) 6.399 7.056 ( 2.779 0.000 5.899) 6.520 7.069 ( 9.266 0.000 1.274) 9.353 7.120 ( 4.884 0.000 13.987) 14.816 7.237 ( 1.383 0.000 -3.883) 4.122 7.268 ( 0.892 0.000 6.178) 6.242 7.341 ( -0.607 0.000 3.294) 3.350 7.377 ( -1.381 0.000 -1.410) 1.974 7.417 ( 2.800 0.000 2.398) 3.687 7.445 ( 7.243 0.000 -0.720) 7.278 7.459 ( -8.457 0.000 -1.126) 8.532 7.599 ( 0.070 0.000 1.080) 1.082 7.605 ( -2.844 0.000 1.421) 3.179 7.646 ( -4.501 0.000 -3.811) 5.898 7.738 ( -4.920 0.000 -9.805) 10.971 7.857 ( -15.906 0.000 -6.746) 17.278 7.920 ( 1.818 0.000 0.650) 1.931 7.983 ( -7.364 0.000 -4.873) 8.831 8.006 ( -2.233 0.000 0.890) 2.404 8.029 ( -4.387 0.000 -2.512) 5.055 8.033 ( -4.267 0.000 1.973) 4.701 8.156 ( -6.670 0.000 -7.845) 10.297 8.248 ( -2.621 0.000 -1.199) 2.882 8.278 ( 4.504 0.000 7.423) 8.683 8.318 ( -4.617 0.000 -0.228) 4.623 8.354 ( -5.844 0.000 -1.284) 5.983 8.456 ( 1.586 0.000 2.223) 2.731 8.458 ( -6.269 0.000 2.242) 6.657 8.611 ( 4.392 0.000 -0.520) 4.422 8.746 ( -1.993 0.000 1.522) 2.508 8.808 ( -1.001 0.000 -2.243) 2.456 8.851 ( -4.889 0.000 -1.161) 5.025 8.895 ( -5.118 0.000 -6.335) 8.144 8.895 ( -5.816 0.000 -3.305) 6.690 9.014 ( -0.821 0.000 -5.986) 6.042 9.138 ( 1.710 0.000 -5.812) 6.058 9.377 ( -2.673 0.000 -0.722) 2.769 9.433 ( -6.444 0.000 2.371) 6.866 9.479 ( -4.081 0.000 -4.451) 6.039 9.499 ( 1.107 0.000 -6.500) 6.593 9.648 ( -5.427 0.000 -4.473) 7.033 9.677 ( -2.784 0.000 0.950) 2.942 9.848 ( -0.543 0.000 2.363) 2.425 9.861 ( -4.320 0.000 -4.701) 6.384 9.902 ( -5.582 0.000 1.780) 5.859 9.934 ( -3.330 0.000 2.790) 4.344 10.060 ( -6.023 0.000 -2.674) 6.590 10.181 ( -2.000 0.000 3.209) 3.781 10.255 ( 1.505 0.000 -0.362) 1.548 10.305 ( -2.613 0.000 2.782) 3.816 10.424 ( -3.312 0.000 0.801) 3.408 11.378 ( -4.114 0.000 -1.475) 4.370 11.505 ( -2.512 0.000 0.258) 2.525 11.577 ( -3.006 0.000 -1.295) 3.273 11.629 ( -1.334 0.000 -0.585) 1.456 11.765 ( -0.560 0.000 1.236) 1.356 12.163 ( 0.329 0.000 -0.668) 0.745 12.189 ( -4.656 0.000 -3.078) 5.581 12.417 ( 0.704 0.000 -0.401) 0.810 12.479 ( 0.217 0.000 0.703) 0.736 12.593 ( 3.031 0.000 -0.294) 3.045 12.701 ( -1.593 0.000 -1.519) 2.201 12.746 ( -1.474 0.000 -3.723) 4.004 13.022 ( 0.437 0.000 0.025) 0.438 13.081 ( 0.388 0.000 -1.347) 1.402 13.095 ( 4.172 0.000 -1.518) 4.440 13.279 ( -1.572 0.000 -2.058) 2.589 13.503 ( 0.102 0.000 -1.109) 1.114 13.594 ( 1.130 0.000 -1.953) 2.256 14.602 ( 1.168 0.000 -2.343) 2.618 14.667 ( 0.043 0.000 -2.794) 2.794 15.424 ( 0.198 0.000 -2.356) 2.364 15.550 ( 1.209 0.000 -1.873) 2.229 16.012 ( -0.234 0.000 -0.734) 0.771 16.017 ( -1.982 0.000 -2.062) 2.860 20.539 ( 0.289 0.000 -1.439) 1.468 20.585 ( 0.249 0.000 -1.075) 1.104 20.617 ( 0.090 0.000 -1.326) 1.329 20.651 ( -0.629 0.000 -1.433) 1.565 21.734 ( 2.145 0.000 -0.965) 2.352 21.746 ( 2.360 0.000 -1.111) 2.608 21.807 ( 2.487 0.000 -0.950) 2.663 21.833 ( 0.918 0.000 -1.415) 1.687 21.914 ( 2.012 0.000 -1.506) 2.513 21.949 ( 1.960 0.000 -2.080) 2.858 22.353 ( 1.808 0.000 1.960) 2.667 22.403 ( 1.647 0.000 3.142) 3.547 22.445 ( 2.471 0.000 -0.477) 2.517 22.486 ( 1.781 0.000 0.372) 1.820 23.011 ( 4.769 0.000 3.510) 5.922 23.045 ( 3.876 0.000 2.340) 4.528 23.103 ( 1.654 0.000 3.025) 3.448 23.111 ( 1.087 0.000 3.934) 4.081 23.479 ( 1.004 0.000 6.183) 6.264 23.548 ( -1.797 0.000 6.694) 6.931 24.042 ( -1.812 0.000 -0.944) 2.043 24.223 ( -4.806 0.000 -2.111) 5.249 24.738 ( -1.898 0.000 -1.238) 2.266 24.787 ( -4.898 0.000 -3.209) 5.855 25.505 ( -2.197 0.000 -3.425) 4.069 25.548 ( -1.382 0.000 -3.351) 3.624 ======================= Grid point 5 (6/104) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.000 0.000 0.000) 0.000 2.181 ( 0.000 0.000 0.000) 0.000 2.403 ( 0.000 0.000 -0.000) 0.000 2.455 ( 0.000 0.000 -0.000) 0.000 2.502 ( -0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 -0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.602 ( -0.000 0.000 -0.000) 0.000 2.624 ( -0.000 0.000 0.000) 0.000 2.724 ( -0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 -0.000) 0.000 2.890 ( -0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 -0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 -0.000) 0.000 3.110 ( 0.000 0.000 -0.000) 0.000 3.256 ( 0.000 0.000 -0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 -0.000) 0.000 3.625 ( 0.000 0.000 0.000) 0.000 3.665 ( -0.000 0.000 -0.000) 0.000 3.668 ( 0.000 0.000 -0.000) 0.000 3.758 ( -0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.778 ( -0.000 0.000 -0.000) 0.000 3.991 ( -0.000 0.000 0.000) 0.000 4.024 ( 0.000 0.000 -0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.068 ( 0.000 0.000 -0.000) 0.000 4.155 ( -0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 -0.000) 0.000 4.306 ( 0.000 0.000 -0.000) 0.000 4.458 ( -0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.468 ( 0.000 0.000 -0.000) 0.000 4.489 ( -0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.885 ( 0.000 0.000 0.000) 0.000 4.909 ( -0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 4.949 ( -0.000 0.000 -0.000) 0.000 4.959 ( -0.000 0.000 0.000) 0.000 5.010 ( 0.000 0.000 -0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.030 ( -0.000 0.000 -0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.310 ( -0.000 0.000 -0.000) 0.000 5.311 ( 0.000 0.000 -0.000) 0.000 5.342 ( 0.000 0.000 -0.000) 0.000 5.354 ( -0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.519 ( 0.000 0.000 0.000) 0.000 5.534 ( -0.000 0.000 -0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.669 ( 0.000 0.000 -0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 5.778 ( -0.000 0.000 -0.000) 0.000 5.817 ( -0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 0.000) 0.000 6.064 ( -0.000 0.000 0.000) 0.000 6.148 ( 0.000 0.000 0.000) 0.000 6.297 ( -0.000 0.000 0.000) 0.000 6.339 ( 0.000 0.000 0.000) 0.000 6.428 ( 0.000 0.000 -0.000) 0.000 6.558 ( 0.000 0.000 0.000) 0.000 6.670 ( -0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 -0.000) 0.000 6.710 ( 0.000 0.000 0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 6.866 ( 0.000 0.000 0.000) 0.000 6.868 ( -0.000 0.000 -0.000) 0.000 6.914 ( -0.000 0.000 -0.000) 0.000 7.024 ( 0.000 0.000 0.000) 0.000 7.048 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 -0.000) 0.000 7.217 ( 0.000 0.000 -0.000) 0.000 7.282 ( 0.000 0.000 -0.000) 0.000 7.295 ( -0.000 0.000 0.000) 0.000 7.321 ( -0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 -0.000) 0.000 7.406 ( 0.000 0.000 -0.000) 0.000 7.440 ( -0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 7.537 ( -0.000 0.000 -0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 7.619 ( -0.000 0.000 -0.000) 0.000 7.641 ( -0.000 0.000 0.000) 0.000 7.682 ( -0.000 0.000 -0.000) 0.000 7.860 ( 0.000 0.000 0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 7.924 ( -0.000 0.000 -0.000) 0.000 8.008 ( 0.000 0.000 0.000) 0.000 8.022 ( 0.000 0.000 0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.228 ( -0.000 0.000 -0.000) 0.000 8.255 ( 0.000 0.000 0.000) 0.000 8.283 ( 0.000 0.000 0.000) 0.000 8.398 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 -0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 8.613 ( -0.000 0.000 -0.000) 0.000 8.760 ( -0.000 0.000 -0.000) 0.000 8.763 ( 0.000 0.000 0.000) 0.000 8.789 ( -0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 8.813 ( 0.000 0.000 -0.000) 0.000 8.963 ( 0.000 0.000 -0.000) 0.000 9.137 ( 0.000 0.000 0.000) 0.000 9.336 ( 0.000 0.000 -0.000) 0.000 9.403 ( 0.000 0.000 -0.000) 0.000 9.419 ( 0.000 0.000 0.000) 0.000 9.425 ( 0.000 0.000 0.000) 0.000 9.597 ( 0.000 0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 9.858 ( -0.000 0.000 0.000) 0.000 9.886 ( 0.000 0.000 0.000) 0.000 9.923 ( 0.000 0.000 -0.000) 0.000 9.991 ( 0.000 0.000 0.000) 0.000 10.179 ( 0.000 0.000 0.000) 0.000 10.264 ( 0.000 0.000 -0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.403 ( 0.000 0.000 0.000) 0.000 11.337 ( 0.000 0.000 0.000) 0.000 11.487 ( 0.000 0.000 0.000) 0.000 11.545 ( 0.000 0.000 0.000) 0.000 11.612 ( 0.000 0.000 0.000) 0.000 11.767 ( 0.000 0.000 0.000) 0.000 12.135 ( 0.000 0.000 0.000) 0.000 12.162 ( 0.000 0.000 0.000) 0.000 12.423 ( 0.000 0.000 0.000) 0.000 12.484 ( 0.000 0.000 0.000) 0.000 12.627 ( 0.000 0.000 0.000) 0.000 12.671 ( 0.000 0.000 0.000) 0.000 12.716 ( 0.000 0.000 0.000) 0.000 13.025 ( 0.000 0.000 0.000) 0.000 13.078 ( 0.000 0.000 0.000) 0.000 13.132 ( -0.000 0.000 -0.000) 0.000 13.247 ( 0.000 0.000 0.000) 0.000 13.498 ( 0.000 0.000 0.000) 0.000 13.593 ( 0.000 0.000 0.000) 0.000 14.601 ( 0.000 0.000 0.000) 0.000 14.654 ( 0.000 0.000 0.000) 0.000 15.415 ( 0.000 0.000 0.000) 0.000 15.551 ( 0.000 0.000 0.000) 0.000 15.988 ( 0.000 0.000 0.000) 0.000 16.006 ( 0.000 0.000 0.000) 0.000 20.534 ( 0.000 0.000 0.000) 0.000 20.583 ( 0.000 0.000 0.000) 0.000 20.612 ( 0.000 0.000 0.000) 0.000 20.639 ( 0.000 0.000 0.000) 0.000 21.747 ( 0.000 0.000 0.000) 0.000 21.761 ( 0.000 0.000 0.000) 0.000 21.827 ( 0.000 0.000 -0.000) 0.000 21.833 ( -0.000 0.000 0.000) 0.000 21.923 ( 0.000 0.000 0.000) 0.000 21.957 ( 0.000 0.000 0.000) 0.000 22.378 ( 0.000 0.000 0.000) 0.000 22.433 ( 0.000 0.000 0.000) 0.000 22.463 ( 0.000 0.000 0.000) 0.000 22.502 ( 0.000 0.000 0.000) 0.000 23.073 ( 0.000 0.000 -0.000) 0.000 23.084 ( 0.000 0.000 0.000) 0.000 23.132 ( 0.000 0.000 0.000) 0.000 23.141 ( 0.000 0.000 0.000) 0.000 23.518 ( 0.000 0.000 0.000) 0.000 23.566 ( 0.000 0.000 0.000) 0.000 24.022 ( 0.000 0.000 0.000) 0.000 24.174 ( 0.000 0.000 0.000) 0.000 24.716 ( 0.000 0.000 0.000) 0.000 24.729 ( 0.000 0.000 0.000) 0.000 25.468 ( 0.000 0.000 0.000) 0.000 25.519 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/104) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 0.000 -33.328 0.000) 33.328 0.663 ( 0.000 33.328 0.000) 33.328 0.703 ( 0.000 -36.943 0.000) 36.943 0.703 ( 0.000 36.943 0.000) 36.943 1.191 ( 0.000 -51.433 0.000) 51.433 1.191 ( 0.000 51.433 0.000) 51.433 1.839 ( 0.000 -16.876 0.000) 16.876 1.839 ( 0.000 16.876 0.000) 16.876 1.961 ( 0.000 -23.189 0.000) 23.189 1.961 ( 0.000 23.189 0.000) 23.189 2.106 ( 0.000 -4.777 0.000) 4.777 2.106 ( 0.000 4.777 0.000) 4.777 2.550 ( 0.000 -8.854 0.000) 8.854 2.550 ( 0.000 8.854 0.000) 8.854 2.710 ( 0.000 -11.566 0.000) 11.566 2.710 ( 0.000 11.566 0.000) 11.566 2.737 ( 0.000 -3.011 0.000) 3.011 2.737 ( 0.000 3.011 0.000) 3.011 2.946 ( 0.000 -10.613 0.000) 10.613 2.946 ( 0.000 10.613 0.000) 10.613 3.253 ( 0.000 -4.226 0.000) 4.226 3.253 ( 0.000 4.226 0.000) 4.226 3.351 ( 0.000 -6.199 0.000) 6.199 3.351 ( 0.000 6.199 0.000) 6.199 3.444 ( 0.000 -12.916 0.000) 12.916 3.444 ( 0.000 12.916 0.000) 12.916 3.709 ( 0.000 -3.195 0.000) 3.195 3.709 ( 0.000 3.195 0.000) 3.195 3.733 ( 0.000 -0.136 0.000) 0.136 3.733 ( 0.000 0.136 0.000) 0.136 3.898 ( 0.000 -8.798 0.000) 8.798 3.898 ( 0.000 8.798 0.000) 8.798 3.916 ( 0.000 -1.957 0.000) 1.957 3.916 ( 0.000 1.957 0.000) 1.957 4.014 ( 0.000 -4.125 0.000) 4.125 4.014 ( 0.000 4.125 0.000) 4.125 4.123 ( 0.000 -2.644 0.000) 2.644 4.123 ( 0.000 2.644 0.000) 2.644 4.229 ( 0.000 -1.400 0.000) 1.400 4.229 ( 0.000 1.400 0.000) 1.400 4.231 ( 0.000 -0.310 0.000) 0.310 4.231 ( 0.000 0.310 0.000) 0.310 4.382 ( 0.000 -6.783 0.000) 6.783 4.382 ( 0.000 6.783 0.000) 6.783 4.451 ( 0.000 -0.062 0.000) 0.062 4.451 ( 0.000 0.062 0.000) 0.062 4.725 ( 0.000 -1.922 0.000) 1.922 4.725 ( 0.000 1.922 0.000) 1.922 4.770 ( 0.000 -1.189 0.000) 1.189 4.770 ( 0.000 1.189 0.000) 1.189 4.860 ( 0.000 -1.185 0.000) 1.185 4.860 ( 0.000 1.185 0.000) 1.185 4.999 ( 0.000 -0.111 0.000) 0.111 4.999 ( 0.000 0.111 0.000) 0.111 5.105 ( 0.000 -6.032 0.000) 6.032 5.105 ( 0.000 6.032 0.000) 6.032 5.306 ( 0.000 -13.169 0.000) 13.169 5.306 ( 0.000 13.169 0.000) 13.169 5.409 ( 0.000 -0.280 0.000) 0.280 5.409 ( 0.000 0.280 0.000) 0.280 5.668 ( 0.000 -13.560 0.000) 13.560 5.668 ( 0.000 13.560 0.000) 13.560 5.709 ( 0.000 -14.636 0.000) 14.636 5.709 ( 0.000 14.636 0.000) 14.636 5.893 ( 0.000 -8.321 0.000) 8.321 5.893 ( 0.000 8.321 0.000) 8.321 6.056 ( 0.000 -10.560 0.000) 10.560 6.056 ( 0.000 10.560 0.000) 10.560 6.115 ( 0.000 -4.231 0.000) 4.231 6.115 ( 0.000 4.231 0.000) 4.231 6.329 ( 0.000 -1.054 0.000) 1.054 6.329 ( 0.000 1.054 0.000) 1.054 6.346 ( 0.000 -8.014 0.000) 8.014 6.346 ( 0.000 8.014 0.000) 8.014 6.475 ( 0.000 -0.176 0.000) 0.176 6.475 ( 0.000 0.176 0.000) 0.176 6.558 ( 0.000 -3.335 0.000) 3.335 6.558 ( 0.000 3.335 0.000) 3.335 6.803 ( 0.000 -9.486 0.000) 9.486 6.803 ( 0.000 9.486 0.000) 9.486 6.902 ( 0.000 -9.526 0.000) 9.526 6.902 ( 0.000 9.526 0.000) 9.526 6.991 ( 0.000 -11.422 0.000) 11.422 6.991 ( 0.000 11.422 0.000) 11.422 7.146 ( 0.000 -4.137 0.000) 4.137 7.146 ( 0.000 4.137 0.000) 4.137 7.263 ( 0.000 -6.606 0.000) 6.606 7.263 ( 0.000 6.606 0.000) 6.606 7.351 ( 0.000 -1.463 0.000) 1.463 7.351 ( 0.000 1.463 0.000) 1.463 7.474 ( 0.000 -9.785 0.000) 9.785 7.474 ( 0.000 9.785 0.000) 9.785 7.591 ( 0.000 -2.490 0.000) 2.490 7.591 ( 0.000 2.490 0.000) 2.490 7.642 ( 0.000 -4.595 0.000) 4.595 7.642 ( 0.000 4.595 0.000) 4.595 7.692 ( 0.000 -9.565 0.000) 9.565 7.692 ( 0.000 9.565 0.000) 9.565 7.807 ( 0.000 -9.968 0.000) 9.968 7.807 ( 0.000 9.968 0.000) 9.968 8.030 ( 0.000 -6.619 0.000) 6.619 8.030 ( 0.000 6.619 0.000) 6.619 8.126 ( 0.000 -0.769 0.000) 0.769 8.126 ( 0.000 0.769 0.000) 0.769 8.227 ( 0.000 -4.958 0.000) 4.958 8.227 ( 0.000 4.958 0.000) 4.958 8.392 ( 0.000 -3.234 0.000) 3.234 8.392 ( 0.000 3.234 0.000) 3.234 8.463 ( 0.000 -4.001 0.000) 4.001 8.463 ( 0.000 4.001 0.000) 4.001 8.603 ( 0.000 -6.238 0.000) 6.238 8.603 ( 0.000 6.238 0.000) 6.238 8.713 ( 0.000 -3.529 0.000) 3.529 8.713 ( 0.000 3.529 0.000) 3.529 8.832 ( 0.000 -6.514 0.000) 6.514 8.832 ( 0.000 6.514 0.000) 6.514 8.874 ( 0.000 -3.354 0.000) 3.354 8.874 ( 0.000 3.354 0.000) 3.354 9.005 ( 0.000 -0.680 0.000) 0.680 9.005 ( 0.000 0.680 0.000) 0.680 9.223 ( 0.000 -10.866 0.000) 10.866 9.223 ( 0.000 10.866 0.000) 10.866 9.393 ( 0.000 -6.545 0.000) 6.545 9.393 ( 0.000 6.545 0.000) 6.545 9.527 ( 0.000 -3.076 0.000) 3.076 9.527 ( 0.000 3.076 0.000) 3.076 9.675 ( 0.000 -1.196 0.000) 1.196 9.675 ( 0.000 1.196 0.000) 1.196 9.918 ( 0.000 -2.938 0.000) 2.938 9.918 ( 0.000 2.938 0.000) 2.938 10.173 ( 0.000 -4.059 0.000) 4.059 10.173 ( 0.000 4.059 0.000) 4.059 10.392 ( 0.000 -24.852 0.000) 24.852 10.392 ( 0.000 24.852 0.000) 24.852 10.989 ( 0.000 -4.946 0.000) 4.946 10.989 ( 0.000 4.946 0.000) 4.946 11.702 ( 0.000 -4.351 0.000) 4.351 11.702 ( 0.000 4.351 0.000) 4.351 12.223 ( 0.000 -3.303 0.000) 3.303 12.223 ( 0.000 3.303 0.000) 3.303 12.370 ( 0.000 -8.266 0.000) 8.266 12.370 ( 0.000 8.266 0.000) 8.266 12.520 ( 0.000 -1.918 0.000) 1.918 12.520 ( 0.000 1.918 0.000) 1.918 12.703 ( 0.000 -5.765 0.000) 5.765 12.703 ( 0.000 5.765 0.000) 5.765 12.840 ( 0.000 -1.144 0.000) 1.144 12.840 ( 0.000 1.144 0.000) 1.144 13.137 ( 0.000 -0.187 0.000) 0.187 13.137 ( 0.000 0.187 0.000) 0.187 13.283 ( 0.000 -1.712 0.000) 1.712 13.283 ( 0.000 1.712 0.000) 1.712 13.639 ( 0.000 -1.302 0.000) 1.302 13.639 ( 0.000 1.302 0.000) 1.302 14.846 ( 0.000 -1.216 0.000) 1.216 14.846 ( 0.000 1.216 0.000) 1.216 15.505 ( 0.000 -0.381 0.000) 0.381 15.505 ( 0.000 0.381 0.000) 0.381 16.120 ( 0.000 -3.236 0.000) 3.236 16.120 ( 0.000 3.236 0.000) 3.236 20.714 ( 0.000 -2.691 0.000) 2.691 20.714 ( 0.000 2.691 0.000) 2.691 20.838 ( 0.000 -2.029 0.000) 2.029 20.838 ( 0.000 2.029 0.000) 2.029 21.554 ( 0.000 -0.744 0.000) 0.744 21.554 ( 0.000 0.744 0.000) 0.744 21.736 ( 0.000 -0.696 0.000) 0.696 21.736 ( 0.000 0.696 0.000) 0.696 21.975 ( 0.000 -0.753 0.000) 0.753 21.975 ( 0.000 0.753 0.000) 0.753 22.016 ( 0.000 -0.288 0.000) 0.288 22.016 ( 0.000 0.288 0.000) 0.288 22.049 ( 0.000 -0.731 0.000) 0.731 22.049 ( 0.000 0.731 0.000) 0.731 22.086 ( 0.000 -0.178 0.000) 0.178 22.086 ( 0.000 0.178 0.000) 0.178 22.833 ( 0.000 -0.121 0.000) 0.121 22.833 ( 0.000 0.121 0.000) 0.121 22.846 ( 0.000 -0.092 0.000) 0.092 22.846 ( 0.000 0.092 0.000) 0.092 25.160 ( 0.000 -4.382 0.000) 4.382 25.160 ( 0.000 4.382 0.000) 4.382 25.257 ( 0.000 -4.644 0.000) 4.644 25.257 ( 0.000 4.644 0.000) 4.644 25.648 ( 0.000 -7.520 0.000) 7.520 25.648 ( 0.000 7.520 0.000) 7.520 ======================= Grid point 13 (8/104) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 14.297 -2.804 2.134) 14.725 0.900 ( 14.297 2.804 2.134) 14.725 1.026 ( 14.652 -22.557 26.779) 37.955 1.026 ( 14.652 22.557 26.779) 37.955 1.549 ( 32.042 -0.739 13.544) 34.795 1.549 ( 32.042 0.739 13.544) 34.795 1.725 ( 1.351 -32.815 3.755) 33.057 1.725 ( 1.351 32.815 3.755) 33.057 2.054 ( 5.062 -24.077 11.376) 27.106 2.054 ( 5.062 24.077 11.376) 27.106 2.329 ( 23.153 -8.351 -0.046) 24.613 2.329 ( 23.153 8.351 -0.046) 24.613 2.567 ( 8.558 -3.285 -3.915) 9.968 2.567 ( 8.558 3.285 -3.915) 9.968 2.759 ( 2.747 -7.103 -0.529) 7.634 2.759 ( 2.747 7.103 -0.529) 7.634 2.784 ( 9.178 -3.125 -6.836) 11.863 2.784 ( 9.178 3.125 -6.836) 11.863 2.968 ( 6.667 -8.059 4.215) 11.277 2.968 ( 6.667 8.059 4.215) 11.277 3.202 ( -6.044 -5.321 0.100) 8.053 3.202 ( -6.044 5.321 0.100) 8.053 3.292 ( -6.904 -6.049 1.225) 9.260 3.292 ( -6.904 6.049 1.225) 9.260 3.503 ( 0.971 -9.205 -3.955) 10.066 3.503 ( 0.971 9.205 -3.955) 10.066 3.618 ( 0.752 -1.824 -6.640) 6.926 3.618 ( 0.752 1.824 -6.640) 6.926 3.757 ( 1.972 -2.320 -2.806) 4.140 3.757 ( 1.972 2.320 -2.806) 4.140 3.891 ( -4.185 -10.510 3.312) 11.788 3.891 ( -4.185 10.510 3.312) 11.788 4.004 ( 2.275 -7.273 -2.177) 7.925 4.004 ( 2.275 7.273 -2.177) 7.925 4.052 ( 1.703 -4.373 2.125) 5.152 4.052 ( 1.703 4.373 2.125) 5.152 4.102 ( 8.354 -3.273 1.411) 9.082 4.102 ( 8.354 3.273 1.411) 9.082 4.211 ( -0.984 -4.804 -0.104) 4.904 4.211 ( -0.984 4.804 -0.104) 4.904 4.328 ( -1.181 -0.967 4.851) 5.086 4.328 ( -1.181 0.967 4.851) 5.086 4.467 ( 6.200 -3.117 2.916) 7.528 4.467 ( 6.200 3.117 2.916) 7.528 4.534 ( 11.267 -3.646 0.444) 11.851 4.534 ( 11.267 3.646 0.444) 11.851 4.748 ( 4.623 -5.390 -2.452) 7.512 4.748 ( 4.623 5.390 -2.452) 7.512 4.853 ( 6.536 -4.302 -5.954) 9.833 4.853 ( 6.536 4.302 -5.954) 9.833 4.912 ( 6.964 -6.887 4.050) 10.599 4.912 ( 6.964 6.887 4.050) 10.599 5.004 ( 1.446 -6.439 -1.408) 6.748 5.004 ( 1.446 6.439 -1.408) 6.748 5.118 ( 3.225 -6.406 1.359) 7.300 5.118 ( 3.225 6.406 1.359) 7.300 5.275 ( -2.945 -9.010 0.672) 9.503 5.275 ( -2.945 9.010 0.672) 9.503 5.444 ( 3.549 -1.977 1.052) 4.197 5.444 ( 3.549 1.977 1.052) 4.197 5.603 ( -2.638 -14.547 -5.312) 15.710 5.603 ( -2.638 14.547 -5.312) 15.710 5.669 ( -3.566 -10.212 0.960) 10.859 5.669 ( -3.566 10.212 0.960) 10.859 5.878 ( 0.412 -3.975 -1.721) 4.351 5.878 ( 0.412 3.975 -1.721) 4.351 6.048 ( 1.034 -3.972 -4.815) 6.327 6.048 ( 1.034 3.972 -4.815) 6.327 6.117 ( -0.222 -1.622 2.287) 2.812 6.117 ( -0.222 1.622 2.287) 2.812 6.307 ( -0.253 -4.354 -3.070) 5.333 6.307 ( -0.253 4.354 -3.070) 5.333 6.374 ( -0.973 -5.490 6.101) 8.265 6.374 ( -0.973 5.490 6.101) 8.265 6.505 ( 1.311 -1.425 1.904) 2.716 6.505 ( 1.311 1.425 1.904) 2.716 6.562 ( -1.343 -2.858 3.021) 4.370 6.562 ( -1.343 2.858 3.021) 4.370 6.766 ( -4.289 -2.252 -1.458) 5.059 6.766 ( -4.289 2.252 -1.458) 5.059 6.820 ( -0.256 -8.657 -5.009) 10.005 6.820 ( -0.256 8.657 -5.009) 10.005 6.973 ( -2.489 -5.070 -2.066) 6.014 6.973 ( -2.489 5.070 -2.066) 6.014 7.084 ( -6.124 -3.159 -1.167) 6.989 7.084 ( -6.124 3.159 -1.167) 6.989 7.195 ( -4.712 -5.667 -0.642) 7.398 7.195 ( -4.712 5.667 -0.642) 7.398 7.318 ( -5.755 -5.744 -6.056) 10.139 7.318 ( -5.755 5.744 -6.056) 10.139 7.418 ( -4.924 -0.698 -7.779) 9.233 7.418 ( -4.924 0.698 -7.779) 9.233 7.539 ( -5.197 -2.884 0.181) 5.946 7.539 ( -5.197 2.884 0.181) 5.946 7.597 ( -2.516 -4.089 -5.400) 7.225 7.597 ( -2.516 4.089 -5.400) 7.225 7.662 ( 1.997 -4.350 -2.690) 5.491 7.662 ( 1.997 4.350 -2.690) 5.491 7.799 ( -1.899 -6.312 0.779) 6.637 7.799 ( -1.899 6.312 0.779) 6.637 7.925 ( 0.797 -6.489 -6.079) 8.927 7.925 ( 0.797 6.489 -6.079) 8.927 8.121 ( -0.235 -1.992 -1.547) 2.533 8.121 ( -0.235 1.992 -1.547) 2.533 8.218 ( 1.903 -4.714 -2.701) 5.757 8.218 ( 1.903 4.714 -2.701) 5.757 8.380 ( -1.587 -0.918 -0.716) 1.968 8.380 ( -1.587 0.918 -0.716) 1.968 8.539 ( 1.346 -8.588 0.660) 8.718 8.539 ( 1.346 8.588 0.660) 8.718 8.614 ( -1.830 -4.541 3.283) 5.895 8.614 ( -1.830 4.541 3.283) 5.895 8.671 ( -5.397 -2.155 5.552) 8.037 8.671 ( -5.397 2.155 5.552) 8.037 8.783 ( 0.833 -9.553 -2.555) 9.924 8.783 ( 0.833 9.553 -2.555) 9.924 8.961 ( 0.431 -2.247 1.042) 2.514 8.961 ( 0.431 2.247 1.042) 2.514 9.076 ( 2.807 -2.665 4.905) 6.249 9.076 ( 2.807 2.665 4.905) 6.249 9.291 ( -1.052 -5.496 0.690) 5.638 9.291 ( -1.052 5.496 0.690) 5.638 9.442 ( 2.294 -4.058 3.779) 6.001 9.442 ( 2.294 4.058 3.779) 6.001 9.672 ( 12.460 -7.027 -0.188) 14.306 9.672 ( 12.460 7.027 -0.188) 14.306 9.701 ( 1.843 -1.886 4.888) 5.554 9.701 ( 1.843 1.886 4.888) 5.554 9.965 ( 0.798 -1.975 3.017) 3.693 9.965 ( 0.798 1.975 3.017) 3.693 10.190 ( -0.180 -2.416 3.243) 4.048 10.190 ( -0.180 2.416 3.243) 4.048 10.392 ( -2.008 -21.657 1.700) 21.817 10.392 ( -2.008 21.657 1.700) 21.817 10.882 ( -10.215 -6.126 -2.564) 12.184 10.882 ( -10.215 6.126 -2.564) 12.184 11.685 ( -1.596 -3.760 -0.650) 4.136 11.685 ( -1.596 3.760 -0.650) 4.136 12.006 ( -16.870 -5.153 -3.365) 17.957 12.006 ( -16.870 5.153 -3.365) 17.957 12.267 ( -15.152 -6.955 -1.395) 16.730 12.267 ( -15.152 6.955 -1.395) 16.730 12.437 ( -1.734 -3.150 -3.946) 5.338 12.437 ( -1.734 3.150 -3.946) 5.338 12.577 ( 3.654 -7.111 -2.399) 8.347 12.577 ( 3.654 7.111 -2.399) 8.347 12.942 ( 6.101 -3.409 -4.745) 8.447 12.942 ( 6.101 3.409 -4.745) 8.447 13.118 ( -2.455 -11.433 -12.798) 17.336 13.118 ( -2.455 11.433 -12.798) 17.336 13.231 ( -3.089 -0.879 -0.924) 3.342 13.231 ( -3.089 0.879 -0.924) 3.342 13.482 ( -2.002 -2.368 2.032) 3.707 13.482 ( -2.002 2.368 2.032) 3.707 14.780 ( -2.026 -3.556 -5.281) 6.681 14.780 ( -2.026 3.556 -5.281) 6.681 15.513 ( 1.911 -0.206 -3.118) 3.663 15.513 ( 1.911 0.206 -3.118) 3.663 16.126 ( 0.595 -3.845 -1.877) 4.320 16.126 ( 0.595 3.845 -1.877) 4.320 20.621 ( -2.390 -5.772 -2.601) 6.767 20.621 ( -2.390 5.772 -2.601) 6.767 20.820 ( -1.361 -1.959 -6.165) 6.611 20.820 ( -1.361 1.959 -6.165) 6.611 21.542 ( 4.202 -2.020 -0.669) 4.710 21.542 ( 4.202 2.020 -0.669) 4.710 21.767 ( 2.886 -2.427 -5.317) 6.518 21.767 ( 2.886 2.427 -5.317) 6.518 21.894 ( 6.448 -0.639 -12.414) 14.003 21.894 ( 6.448 0.639 -12.414) 14.003 22.099 ( 2.728 -1.277 5.472) 6.246 22.099 ( 2.728 1.277 5.472) 6.246 22.149 ( 6.116 -1.261 3.892) 7.358 22.149 ( 6.116 1.261 3.892) 7.358 22.418 ( 14.578 -14.951 6.819) 21.967 22.418 ( 14.578 14.951 6.819) 21.967 22.857 ( 1.232 -0.450 3.467) 3.707 22.857 ( 1.232 0.450 3.467) 3.707 23.059 ( -0.754 -11.525 32.397) 34.394 23.059 ( -0.754 11.525 32.397) 34.394 24.734 ( -22.585 -25.165 -3.827) 34.030 24.734 ( -22.585 25.165 -3.827) 34.030 25.246 ( -6.171 -7.849 -4.807) 11.082 25.246 ( -6.171 7.849 -4.807) 11.082 25.705 ( 6.693 -6.684 -8.349) 12.617 25.705 ( 6.693 6.684 -8.349) 12.617 ======================= Grid point 15 (9/104) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 25.918 -33.338 10.068) 43.411 1.309 ( 25.918 33.338 10.068) 43.411 1.594 ( 18.860 -18.267 25.471) 36.580 1.594 ( 18.860 18.267 25.471) 36.580 1.767 ( 8.192 -28.309 9.031) 30.823 1.767 ( 8.192 28.309 9.031) 30.823 2.274 ( 7.961 -16.848 15.520) 24.251 2.274 ( 7.961 16.848 15.520) 24.251 2.467 ( 31.190 -5.438 10.910) 33.488 2.467 ( 31.190 5.438 10.910) 33.488 2.616 ( 16.725 -5.592 -2.565) 17.821 2.616 ( 16.725 5.592 -2.565) 17.821 2.720 ( 10.318 -5.664 -1.219) 11.834 2.720 ( 10.318 5.664 -1.219) 11.834 2.799 ( 7.402 -2.930 -6.935) 10.558 2.799 ( 7.402 2.930 -6.935) 10.558 2.972 ( 12.206 -1.616 -0.275) 12.315 2.972 ( 12.206 1.616 -0.275) 12.315 3.078 ( -4.975 -9.020 0.305) 10.305 3.078 ( -4.975 9.020 0.305) 10.305 3.166 ( 1.335 -5.004 1.871) 5.506 3.166 ( 1.335 5.004 1.871) 5.506 3.261 ( 11.502 -6.110 7.588) 15.074 3.261 ( 11.502 6.110 7.588) 15.074 3.441 ( 4.104 -2.121 -6.175) 7.712 3.441 ( 4.104 2.121 -6.175) 7.712 3.588 ( 0.088 -4.454 -7.650) 8.853 3.588 ( 0.088 4.454 -7.650) 8.853 3.743 ( -2.610 -3.793 -0.359) 4.618 3.743 ( -2.610 3.793 -0.359) 4.618 3.821 ( 0.415 -10.371 -3.097) 10.832 3.821 ( 0.415 10.371 -3.097) 10.832 4.062 ( 1.383 -2.876 -3.404) 4.666 4.062 ( 1.383 2.876 -3.404) 4.666 4.111 ( 7.255 -4.990 5.052) 10.152 4.111 ( 7.255 4.990 5.052) 10.152 4.211 ( 0.699 -2.127 2.585) 3.420 4.211 ( 0.699 2.127 2.585) 3.420 4.300 ( 7.956 -2.675 -0.227) 8.397 4.300 ( 7.956 2.675 -0.227) 8.397 4.364 ( 0.562 -4.403 6.265) 7.678 4.364 ( 0.562 4.403 6.265) 7.678 4.563 ( 4.264 -2.534 2.866) 5.728 4.563 ( 4.264 2.534 2.866) 5.728 4.714 ( 9.879 -1.484 -4.240) 10.853 4.714 ( 9.879 1.484 -4.240) 10.853 4.840 ( 3.683 -2.250 -3.132) 5.332 4.840 ( 3.683 2.250 -3.132) 5.332 4.889 ( 4.703 -5.783 1.335) 7.572 4.889 ( 4.703 5.783 1.335) 7.572 5.019 ( 1.056 -1.837 -1.003) 2.345 5.019 ( 1.056 1.837 -1.003) 2.345 5.121 ( 7.718 -13.469 4.022) 16.036 5.121 ( 7.718 13.469 4.022) 16.036 5.202 ( 12.709 -7.178 -3.437) 14.995 5.202 ( 12.709 7.178 -3.437) 14.995 5.292 ( 2.939 -5.908 3.363) 7.406 5.292 ( 2.939 5.908 3.363) 7.406 5.503 ( -1.069 -13.253 -1.106) 13.342 5.503 ( -1.069 13.253 -1.106) 13.342 5.537 ( 4.267 -7.764 -2.399) 9.179 5.537 ( 4.267 7.764 -2.399) 9.179 5.667 ( 2.763 -3.281 -0.262) 4.298 5.667 ( 2.763 3.281 -0.262) 4.298 5.890 ( -0.692 -8.980 -1.080) 9.071 5.890 ( -0.692 8.980 -1.080) 9.071 5.960 ( -1.016 -8.015 -4.966) 9.484 5.960 ( -1.016 8.015 -4.966) 9.484 6.160 ( -1.481 -4.705 -1.067) 5.046 6.160 ( -1.481 4.705 -1.067) 5.046 6.250 ( -2.121 -2.661 -0.474) 3.436 6.250 ( -2.121 2.661 -0.474) 3.436 6.373 ( -1.124 -7.049 1.013) 7.209 6.373 ( -1.124 7.049 1.013) 7.209 6.518 ( -1.196 -1.053 1.975) 2.538 6.518 ( -1.196 1.053 1.975) 2.538 6.598 ( -0.241 -1.386 5.268) 5.452 6.598 ( -0.241 1.386 5.268) 5.452 6.731 ( -0.300 -1.068 -3.967) 4.119 6.731 ( -0.300 1.068 -3.967) 4.119 6.774 ( -4.883 -7.713 -0.157) 9.130 6.774 ( -4.883 7.713 -0.157) 9.130 6.830 ( -8.447 -3.970 -5.191) 10.679 6.830 ( -8.447 3.970 -5.191) 10.679 6.912 ( -5.703 -5.623 -7.387) 10.895 6.912 ( -5.703 5.623 -7.387) 10.895 7.081 ( -5.113 -6.631 -3.285) 8.995 7.081 ( -5.113 6.631 -3.285) 8.995 7.134 ( -7.951 -8.490 -4.171) 12.357 7.134 ( -7.951 8.490 -4.171) 12.357 7.265 ( -3.293 -2.404 -0.579) 4.118 7.265 ( -3.293 2.404 -0.579) 4.118 7.468 ( -3.536 -7.432 -2.462) 8.591 7.468 ( -3.536 7.432 -2.462) 8.591 7.552 ( 0.184 -3.586 -3.173) 4.792 7.552 ( 0.184 3.586 -3.173) 4.792 7.641 ( 0.991 -2.982 -0.281) 3.155 7.641 ( 0.991 2.982 -0.281) 3.155 7.763 ( -4.714 -2.275 0.686) 5.279 7.763 ( -4.714 2.275 0.686) 5.279 7.938 ( 2.126 -3.202 0.445) 3.869 7.938 ( 2.126 3.202 0.445) 3.869 8.097 ( -0.301 -3.031 -1.300) 3.312 8.097 ( -0.301 3.031 -1.300) 3.312 8.224 ( 0.342 -4.168 -2.581) 4.915 8.224 ( 0.342 4.168 -2.581) 4.915 8.328 ( -3.237 -2.834 -1.378) 4.517 8.328 ( -3.237 2.834 -1.378) 4.517 8.496 ( -4.297 -6.421 -2.719) 8.191 8.496 ( -4.297 6.421 -2.719) 8.191 8.587 ( -4.535 -3.016 1.550) 5.663 8.587 ( -4.535 3.016 1.550) 5.663 8.646 ( -2.494 -7.322 2.455) 8.116 8.646 ( -2.494 7.322 2.455) 8.116 8.760 ( -1.918 -8.788 0.460) 9.006 8.760 ( -1.918 8.788 0.460) 9.006 8.960 ( -1.874 -0.796 0.994) 2.265 8.960 ( -1.874 0.796 0.994) 2.265 9.139 ( 2.046 -2.640 -3.860) 5.104 9.139 ( 2.046 2.640 -3.860) 5.104 9.275 ( -0.051 -5.522 2.231) 5.956 9.275 ( -0.051 5.522 2.231) 5.956 9.486 ( 1.672 -4.888 -1.149) 5.292 9.486 ( 1.672 4.888 -1.149) 5.292 9.755 ( -0.813 -4.516 6.282) 7.779 9.755 ( -0.813 4.516 6.282) 7.779 9.821 ( 3.250 -9.476 -3.117) 10.491 9.821 ( 3.250 9.476 -3.117) 10.491 9.972 ( -0.677 -2.885 1.182) 3.190 9.972 ( -0.677 2.885 1.182) 3.190 10.198 ( -3.511 -0.659 3.311) 4.871 10.198 ( -3.511 0.659 3.311) 4.871 10.329 ( -5.733 -10.312 -0.106) 11.799 10.329 ( -5.733 10.312 -0.106) 11.799 10.644 ( -13.562 -5.067 -3.007) 14.786 10.644 ( -13.562 5.067 -3.007) 14.786 11.640 ( -3.141 -1.426 -1.284) 3.680 11.640 ( -3.141 1.426 -1.284) 3.680 11.774 ( -8.254 -0.640 0.215) 8.281 11.774 ( -8.254 0.640 0.215) 8.281 12.013 ( -11.883 -8.972 -1.635) 14.979 12.013 ( -11.883 8.972 -1.635) 14.979 12.434 ( 2.666 -4.329 -2.486) 5.660 12.434 ( 2.666 4.329 -2.486) 5.660 12.591 ( 0.877 -10.098 -2.569) 10.456 12.591 ( 0.877 10.098 -2.569) 10.456 12.881 ( -8.112 -15.652 -8.477) 19.561 12.881 ( -8.112 15.652 -8.477) 19.561 12.990 ( 5.238 -3.244 -5.577) 8.310 12.990 ( 5.238 3.244 -5.577) 8.310 13.224 ( 0.617 -8.064 -0.958) 8.144 13.224 ( 0.617 8.064 -0.958) 8.144 13.522 ( 2.816 -2.041 -0.394) 3.500 13.522 ( 2.816 2.041 -0.394) 3.500 14.705 ( -0.362 -5.100 -5.826) 7.752 14.705 ( -0.362 5.100 -5.826) 7.752 15.509 ( 1.837 -1.727 -4.161) 4.866 15.509 ( 1.837 1.727 -4.161) 4.866 16.101 ( -0.811 -3.969 -2.580) 4.803 16.101 ( -0.811 3.969 -2.580) 4.803 20.584 ( 0.132 -2.990 -2.548) 3.931 20.584 ( 0.132 2.990 -2.548) 3.931 20.731 ( -2.138 -2.748 -4.608) 5.775 20.731 ( -2.138 2.748 -4.608) 5.775 21.624 ( 5.649 -0.638 -1.335) 5.839 21.624 ( 5.649 0.638 -1.335) 5.839 21.771 ( 3.344 -3.260 -4.129) 6.233 21.771 ( 3.344 3.260 -4.129) 6.233 21.900 ( 4.826 -2.243 -7.069) 8.848 21.900 ( 4.826 2.243 -7.069) 8.848 22.199 ( 3.247 -0.640 5.257) 6.212 22.199 ( 3.247 0.640 5.257) 6.212 22.303 ( 6.760 -2.684 2.668) 7.748 22.303 ( 6.760 2.684 2.668) 7.748 22.673 ( 10.468 -6.686 5.680) 13.658 22.673 ( 10.468 6.686 5.680) 13.658 22.933 ( 2.588 -0.500 5.292) 5.912 22.933 ( 2.588 0.500 5.292) 5.912 23.292 ( -2.710 -10.318 22.661) 25.046 23.292 ( -2.710 10.318 22.661) 25.046 24.423 ( -11.986 -19.137 -3.251) 22.814 24.423 ( -11.986 19.137 -3.251) 22.814 25.061 ( -8.455 -8.888 -5.431) 13.416 25.061 ( -8.455 8.888 -5.431) 13.416 25.686 ( 0.712 -2.177 -7.554) 7.894 25.686 ( 0.712 2.177 -7.554) 7.894 ======================= Grid point 17 (10/104) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 4.446 -16.923 -0.853) 17.518 1.668 ( 4.446 16.923 -0.853) 17.518 2.013 ( 20.071 -8.554 8.598) 23.451 2.013 ( 20.071 8.554 8.598) 23.451 2.207 ( 14.304 -5.447 25.934) 30.114 2.207 ( 14.304 5.447 25.934) 30.114 2.521 ( 4.016 -4.592 13.532) 14.844 2.521 ( 4.016 4.592 13.532) 14.844 2.634 ( 0.429 -2.966 1.464) 3.335 2.634 ( 0.429 2.966 1.464) 3.335 2.718 ( 0.315 -3.597 -4.270) 5.592 2.718 ( 0.315 3.597 -4.270) 5.592 2.861 ( 6.711 -8.435 -2.746) 11.123 2.861 ( 6.711 8.435 -2.746) 11.123 2.997 ( 3.935 -6.471 1.948) 7.820 2.997 ( 3.935 6.471 1.948) 7.820 3.080 ( 9.668 -6.114 0.741) 11.462 3.080 ( 9.668 6.114 0.741) 11.462 3.173 ( 11.453 -6.489 2.234) 13.352 3.173 ( 11.453 6.489 2.234) 13.352 3.345 ( 4.523 -3.603 0.359) 5.794 3.345 ( 4.523 3.603 0.359) 5.794 3.469 ( 17.633 -3.452 -6.320) 19.046 3.469 ( 17.633 3.452 -6.320) 19.046 3.554 ( 9.779 -5.618 0.073) 11.278 3.554 ( 9.779 5.618 0.073) 11.278 3.643 ( 7.302 -3.478 0.550) 8.107 3.643 ( 7.302 3.478 0.550) 8.107 3.744 ( 8.294 -5.327 0.522) 9.871 3.744 ( 8.294 5.327 0.522) 9.871 3.889 ( 7.785 -9.935 1.674) 12.732 3.889 ( 7.785 9.935 1.674) 12.732 4.027 ( 0.600 -3.134 -4.653) 5.642 4.027 ( 0.600 3.134 -4.653) 5.642 4.204 ( -1.249 -2.943 0.471) 3.232 4.204 ( -1.249 2.943 0.471) 3.232 4.300 ( 1.833 -3.713 4.071) 5.807 4.300 ( 1.833 3.713 4.071) 5.807 4.404 ( 9.776 -2.270 5.295) 11.347 4.404 ( 9.776 2.270 5.295) 11.347 4.493 ( 9.112 -4.304 0.151) 10.079 4.493 ( 9.112 4.304 0.151) 10.079 4.665 ( 5.317 -6.041 2.446) 8.411 4.665 ( 5.317 6.041 2.446) 8.411 4.740 ( -1.054 -5.684 -4.031) 7.047 4.740 ( -1.054 5.684 -4.031) 7.047 4.885 ( 3.125 -4.330 -0.154) 5.342 4.885 ( 3.125 4.330 -0.154) 5.342 4.975 ( 2.474 -3.196 -1.503) 4.312 4.975 ( 2.474 3.196 -1.503) 4.312 5.042 ( 5.288 -2.247 4.365) 7.216 5.042 ( 5.288 2.247 4.365) 7.216 5.196 ( 2.203 -11.663 -3.878) 12.487 5.196 ( 2.203 11.663 -3.878) 12.487 5.298 ( 1.848 -2.717 -2.324) 4.025 5.298 ( 1.848 2.717 -2.324) 4.025 5.454 ( 2.667 -11.729 3.437) 12.510 5.454 ( 2.667 11.729 3.437) 12.510 5.518 ( 1.928 -4.859 0.640) 5.266 5.518 ( 1.928 4.859 0.640) 5.266 5.598 ( -1.624 -2.207 1.329) 3.045 5.598 ( -1.624 2.207 1.329) 3.045 5.701 ( 2.026 -6.379 -2.496) 7.143 5.701 ( 2.026 6.379 -2.496) 7.143 5.825 ( -2.489 -4.928 -6.494) 8.523 5.825 ( -2.489 4.928 -6.494) 8.523 5.898 ( 2.357 -4.073 0.509) 4.733 5.898 ( 2.357 4.073 0.509) 4.733 6.128 ( 3.430 -3.489 -3.779) 6.182 6.128 ( 3.430 3.489 -3.779) 6.182 6.257 ( -2.699 -5.248 -3.637) 6.932 6.257 ( -2.699 5.248 -3.637) 6.932 6.362 ( 0.037 -5.402 -1.456) 5.595 6.362 ( 0.037 5.402 -1.456) 5.595 6.397 ( -9.292 -2.598 -5.908) 11.313 6.397 ( -9.292 2.598 -5.908) 11.313 6.567 ( -1.262 -3.997 -4.741) 6.329 6.567 ( -1.262 3.997 -4.741) 6.329 6.613 ( 0.506 -2.828 0.313) 2.890 6.613 ( 0.506 2.828 0.313) 2.890 6.708 ( 0.547 -1.160 0.963) 1.604 6.708 ( 0.547 1.160 0.963) 1.604 6.800 ( 2.178 -2.273 3.766) 4.908 6.800 ( 2.178 2.273 3.766) 4.908 6.890 ( 0.344 -5.549 2.807) 6.228 6.890 ( 0.344 5.549 2.807) 6.228 6.979 ( -0.763 -3.268 0.899) 3.474 6.979 ( -0.763 3.268 0.899) 3.474 7.107 ( 2.843 -10.992 2.396) 11.603 7.107 ( 2.843 10.992 2.396) 11.603 7.259 ( -1.213 -3.681 5.213) 6.496 7.259 ( -1.213 3.681 5.213) 6.496 7.380 ( -2.906 -7.361 -3.436) 8.628 7.380 ( -2.906 7.361 -3.436) 8.628 7.507 ( -0.914 -5.359 -1.738) 5.707 7.507 ( -0.914 5.359 -1.738) 5.707 7.658 ( -5.779 -3.422 -0.087) 6.716 7.658 ( -5.779 3.422 -0.087) 6.716 7.717 ( 3.125 -4.246 0.855) 5.341 7.717 ( 3.125 4.246 0.855) 5.341 7.954 ( -0.343 -1.889 -0.874) 2.110 7.954 ( -0.343 1.889 -0.874) 2.110 8.088 ( -1.657 -1.498 -1.750) 2.838 8.088 ( -1.657 1.498 -1.750) 2.838 8.145 ( -4.409 -6.333 -3.881) 8.638 8.145 ( -4.409 6.333 -3.881) 8.638 8.247 ( -4.968 -5.096 -1.055) 7.194 8.247 ( -4.968 5.096 -1.055) 7.194 8.374 ( -7.101 -2.428 -0.831) 7.550 8.374 ( -7.101 2.428 -0.831) 7.550 8.495 ( -5.838 -3.381 -1.393) 6.888 8.495 ( -5.838 3.381 -1.393) 6.888 8.624 ( -2.547 -10.581 1.359) 10.967 8.624 ( -2.547 10.581 1.359) 10.967 8.750 ( -0.526 -11.537 1.694) 11.672 8.750 ( -0.526 11.537 1.694) 11.672 8.921 ( -2.452 -2.964 -1.178) 4.023 8.921 ( -2.452 2.964 -1.178) 4.023 9.080 ( -1.356 -2.939 -7.319) 8.003 9.080 ( -1.356 2.939 -7.319) 8.003 9.299 ( 0.494 -7.669 -1.361) 7.804 9.299 ( 0.494 7.669 -1.361) 7.804 9.472 ( -1.667 -2.734 -1.985) 3.767 9.472 ( -1.667 2.734 -1.985) 3.767 9.719 ( -5.404 -7.127 -2.741) 9.354 9.719 ( -5.404 7.127 -2.741) 9.354 9.810 ( -0.841 -3.321 1.356) 3.685 9.810 ( -0.841 3.321 1.356) 3.685 9.955 ( -3.209 -3.854 -1.619) 5.270 9.955 ( -3.209 3.854 -1.619) 5.270 10.121 ( -7.839 -3.090 2.253) 8.722 10.121 ( -7.839 3.090 2.253) 8.722 10.236 ( -4.524 -1.397 -0.661) 4.781 10.236 ( -4.524 1.397 -0.661) 4.781 10.437 ( -7.646 -7.317 0.405) 10.591 10.437 ( -7.646 7.317 0.405) 10.591 11.535 ( -6.402 -2.774 -1.691) 7.179 11.535 ( -6.402 2.774 -1.691) 7.179 11.711 ( -2.339 -4.916 1.242) 5.584 11.711 ( -2.339 4.916 1.242) 5.584 11.851 ( -5.372 -17.549 -1.511) 18.415 11.851 ( -5.372 17.549 -1.511) 18.415 12.459 ( 2.291 -4.652 -1.412) 5.374 12.459 ( 2.291 4.652 -1.412) 5.374 12.567 ( -0.836 -10.070 -2.211) 10.344 12.567 ( -0.836 10.070 -2.211) 10.344 12.710 ( -4.090 -12.849 -4.976) 14.373 12.710 ( -4.090 12.849 -4.976) 14.373 13.031 ( 4.283 -2.059 -2.991) 5.615 13.031 ( 4.283 2.059 -2.991) 5.615 13.214 ( -0.387 -9.442 -1.642) 9.591 13.214 ( -0.387 9.442 -1.642) 9.591 13.547 ( 1.673 -3.452 -2.115) 4.381 13.547 ( 1.673 3.452 -2.115) 4.381 14.658 ( 0.649 -4.036 -4.683) 6.216 14.658 ( 0.649 4.036 -4.683) 6.216 15.498 ( 1.369 -3.934 -3.614) 5.515 15.498 ( 1.369 3.934 -3.614) 5.515 16.057 ( -1.450 -2.320 -2.364) 3.615 16.057 ( -1.450 2.320 -2.364) 3.615 20.567 ( 0.490 -1.835 -2.229) 2.928 20.567 ( 0.490 1.835 -2.229) 2.928 20.670 ( -1.024 -1.960 -2.835) 3.595 20.670 ( -1.024 1.960 -2.835) 3.595 21.695 ( 4.314 -0.468 -1.454) 4.576 21.695 ( 4.314 0.468 -1.454) 4.576 21.796 ( 3.089 -2.451 -2.534) 4.688 21.796 ( 3.089 2.451 -2.534) 4.688 21.916 ( 3.376 -1.952 -4.137) 5.686 21.916 ( 3.376 1.952 -4.137) 5.686 22.300 ( 3.075 -1.522 4.280) 5.486 22.300 ( 3.075 1.522 4.280) 5.486 22.412 ( 4.374 -1.992 0.793) 4.871 22.412 ( 4.374 1.992 0.793) 4.871 22.883 ( 7.820 -2.798 5.423) 9.919 22.883 ( 7.820 2.798 5.423) 9.919 23.031 ( 2.504 -0.452 5.421) 5.988 23.031 ( 2.504 0.452 5.421) 5.988 23.427 ( -1.315 -5.636 13.474) 14.665 23.427 ( -1.315 5.636 13.474) 14.665 24.239 ( -7.023 -11.672 -2.552) 13.859 24.239 ( -7.023 11.672 -2.552) 13.859 24.885 ( -6.628 -5.700 -4.258) 9.724 24.885 ( -6.628 5.700 -4.258) 9.724 25.606 ( -1.940 -1.306 -5.974) 6.415 25.606 ( -1.940 1.306 -5.974) 6.415 ======================= Grid point 19 (11/104) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -4.891 -48.391 -5.080) 48.902 1.593 ( -4.891 48.391 -5.080) 48.902 2.327 ( 7.787 -7.030 3.400) 11.029 2.327 ( 7.787 7.030 3.400) 11.029 2.500 ( 2.502 -0.489 2.038) 3.263 2.500 ( 2.502 0.489 2.038) 3.263 2.584 ( -1.545 -5.666 2.293) 6.305 2.584 ( -1.545 5.666 2.293) 6.305 2.731 ( 1.261 -2.607 10.175) 10.579 2.731 ( 1.261 2.607 10.175) 10.579 2.765 ( 2.866 -3.184 10.346) 11.198 2.765 ( 2.866 3.184 10.346) 11.198 2.923 ( 3.947 -4.851 -2.651) 6.792 2.923 ( 3.947 4.851 -2.651) 6.792 3.048 ( 1.419 -2.110 4.987) 5.598 3.048 ( 1.419 2.110 4.987) 5.598 3.231 ( 6.033 -3.462 2.213) 7.299 3.231 ( 6.033 3.462 2.213) 7.299 3.347 ( 2.199 -1.747 -2.891) 4.030 3.347 ( 2.199 1.747 -2.891) 4.030 3.476 ( 16.247 -3.602 -1.108) 16.678 3.476 ( 16.247 3.602 -1.108) 16.678 3.640 ( 10.406 -3.815 -1.556) 11.192 3.640 ( 10.406 3.815 -1.556) 11.192 3.685 ( 4.465 -4.717 -0.718) 6.534 3.685 ( 4.465 4.717 -0.718) 6.534 3.776 ( 8.262 -0.430 -3.801) 9.104 3.776 ( 8.262 0.430 -3.801) 9.104 3.903 ( 2.614 -2.892 1.500) 4.177 3.903 ( 2.614 2.892 1.500) 4.177 4.010 ( 8.686 -4.437 1.636) 9.889 4.010 ( 8.686 4.437 1.636) 9.889 4.075 ( 5.240 -6.726 0.779) 8.562 4.075 ( 5.240 6.726 0.779) 8.562 4.186 ( -0.005 -1.349 0.445) 1.420 4.186 ( -0.005 1.349 0.445) 1.420 4.358 ( 4.237 -6.814 2.145) 8.306 4.358 ( 4.237 6.814 2.145) 8.306 4.543 ( 0.761 -4.465 -1.217) 4.690 4.543 ( 0.761 4.465 -1.217) 4.690 4.625 ( 5.585 -8.461 -1.632) 10.269 4.625 ( 5.585 8.461 -1.632) 10.269 4.723 ( -0.214 -3.062 3.281) 4.493 4.723 ( -0.214 3.062 3.281) 4.493 4.782 ( 3.733 -3.165 2.174) 5.355 4.782 ( 3.733 3.165 2.174) 5.355 4.930 ( 2.531 -2.898 1.855) 4.271 4.930 ( 2.531 2.898 1.855) 4.271 5.002 ( 1.625 -5.607 -5.228) 7.837 5.002 ( 1.625 5.607 -5.228) 7.837 5.076 ( -2.554 -1.099 -0.169) 2.786 5.076 ( -2.554 1.099 -0.169) 2.786 5.230 ( -2.959 -8.294 -2.329) 9.109 5.230 ( -2.959 8.294 -2.329) 9.109 5.331 ( 3.585 -5.143 -0.877) 6.330 5.331 ( 3.585 5.143 -0.877) 6.330 5.381 ( -2.740 -3.763 -2.540) 5.302 5.381 ( -2.740 3.763 -2.540) 5.302 5.443 ( -4.805 -11.211 -0.104) 12.198 5.443 ( -4.805 11.211 -0.104) 12.198 5.559 ( -3.505 -1.302 2.970) 4.775 5.559 ( -3.505 1.302 2.970) 4.775 5.653 ( -6.797 -3.538 -1.208) 7.757 5.653 ( -6.797 3.538 -1.208) 7.758 5.799 ( 2.574 -0.495 -5.613) 6.195 5.799 ( 2.574 0.495 -5.613) 6.195 5.894 ( 3.638 -6.664 -0.439) 7.605 5.894 ( 3.638 6.664 -0.439) 7.605 6.023 ( -7.007 -4.629 -5.144) 9.848 6.023 ( -7.007 4.629 -5.144) 9.848 6.168 ( -2.874 -2.492 -2.263) 4.426 6.168 ( -2.874 2.492 -2.263) 4.426 6.354 ( 2.936 -3.717 -0.675) 4.784 6.354 ( 2.936 3.717 -0.675) 4.784 6.458 ( 1.481 -6.157 4.703) 7.888 6.458 ( 1.481 6.157 4.703) 7.888 6.598 ( 10.730 -2.272 0.554) 10.982 6.598 ( 10.730 2.272 0.554) 10.982 6.662 ( 7.384 -1.498 -4.782) 8.924 6.662 ( 7.384 1.498 -4.782) 8.924 6.775 ( -0.309 -5.914 4.094) 7.200 6.775 ( -0.309 5.914 4.094) 7.200 6.895 ( 5.104 -1.958 -1.427) 5.649 6.895 ( 5.104 1.958 -1.427) 5.649 6.927 ( 3.743 -4.576 6.761) 8.982 6.927 ( 3.743 4.576 6.761) 8.982 7.077 ( 4.400 -2.652 5.427) 7.473 7.077 ( 4.400 2.652 5.427) 7.473 7.216 ( 1.537 -6.472 6.474) 9.282 7.216 ( 1.537 6.472 6.474) 9.282 7.302 ( 1.859 -3.382 1.161) 4.030 7.302 ( 1.859 3.382 1.161) 4.030 7.348 ( 2.661 -4.073 1.822) 5.196 7.348 ( 2.661 4.073 1.822) 5.196 7.483 ( -1.817 -1.054 -1.020) 2.335 7.483 ( -1.817 1.054 -1.020) 2.335 7.578 ( -0.741 -2.840 -0.358) 2.957 7.578 ( -0.741 2.840 -0.358) 2.957 7.739 ( -1.671 -8.175 -2.441) 8.694 7.739 ( -1.671 8.175 -2.441) 8.694 7.820 ( -10.248 -6.382 -6.342) 13.637 7.820 ( -10.248 6.382 -6.342) 13.637 7.992 ( -3.357 -2.791 -3.293) 5.468 7.992 ( -3.357 2.791 -3.293) 5.468 8.067 ( -3.738 -4.362 -1.572) 5.956 8.067 ( -3.738 4.362 -1.572) 5.956 8.170 ( -4.134 -6.087 1.430) 7.496 8.170 ( -4.134 6.087 1.430) 7.496 8.294 ( -2.373 -3.548 0.248) 4.276 8.294 ( -2.373 3.548 0.248) 4.276 8.384 ( -4.664 -3.245 -0.391) 5.696 8.384 ( -4.664 3.245 -0.391) 5.696 8.600 ( -1.102 -9.410 1.677) 9.622 8.600 ( -1.102 9.410 1.677) 9.622 8.756 ( 0.474 -6.109 -0.925) 6.197 8.756 ( 0.474 6.109 -0.925) 6.197 8.852 ( -4.133 -1.583 -1.482) 4.667 8.852 ( -4.133 1.583 -1.482) 4.667 8.981 ( -2.792 -4.279 -5.639) 7.610 8.981 ( -2.792 4.279 -5.639) 7.610 9.249 ( -0.802 -10.416 -6.151) 12.123 9.249 ( -0.802 10.416 -6.151) 12.123 9.418 ( -2.971 -2.080 0.296) 3.639 9.418 ( -2.971 2.080 0.296) 3.639 9.595 ( -4.543 -5.371 -3.673) 7.936 9.595 ( -4.543 5.371 -3.673) 7.936 9.785 ( -3.475 -6.783 -0.562) 7.642 9.785 ( -3.475 6.783 -0.562) 7.642 9.866 ( -2.696 -1.040 -0.019) 2.890 9.866 ( -2.696 1.040 -0.019) 2.890 10.043 ( -3.978 -5.734 2.126) 7.295 10.043 ( -3.978 5.734 2.126) 7.295 10.166 ( -2.737 -3.154 -0.698) 4.234 10.166 ( -2.737 3.154 -0.698) 4.234 10.382 ( -1.775 -3.980 1.748) 4.696 10.382 ( -1.775 3.980 1.748) 4.696 11.435 ( -3.573 -5.402 -0.770) 6.523 11.435 ( -3.573 5.402 -0.770) 6.523 11.670 ( -1.939 -1.446 -1.624) 2.914 11.670 ( -1.939 1.446 -1.624) 2.914 11.799 ( -1.346 -14.945 0.962) 15.036 11.799 ( -1.346 14.945 0.962) 15.036 12.478 ( 1.240 -6.383 -0.997) 6.578 12.478 ( 1.240 6.383 -0.997) 6.578 12.529 ( -1.236 -9.547 -1.221) 9.704 12.529 ( -1.236 9.547 -1.221) 9.704 12.644 ( -0.642 -9.456 -1.654) 9.621 12.644 ( -0.642 9.456 -1.654) 9.621 13.075 ( 3.019 -2.345 -0.788) 3.904 13.075 ( 3.019 2.345 -0.788) 3.904 13.183 ( -1.273 -9.297 -1.573) 9.515 13.183 ( -1.273 9.297 -1.573) 9.515 13.546 ( 0.641 -4.129 -1.728) 4.521 13.546 ( 0.641 4.129 -1.728) 4.521 14.634 ( 0.570 -2.721 -2.603) 3.808 14.634 ( 0.570 2.721 -2.603) 3.808 15.488 ( 0.725 -5.339 -2.083) 5.777 15.488 ( 0.725 5.339 -2.083) 5.777 16.015 ( -1.117 -0.219 -1.417) 1.817 16.015 ( -1.117 0.219 -1.417) 1.817 20.557 ( 0.345 -1.770 -1.284) 2.213 20.557 ( 0.345 1.770 -1.284) 2.213 20.639 ( -0.348 -1.250 -1.355) 1.876 20.639 ( -0.348 1.250 -1.355) 1.876 21.739 ( 2.283 -0.506 -1.035) 2.557 21.739 ( 2.283 0.506 -1.035) 2.557 21.820 ( 1.759 -1.073 -1.095) 2.333 21.820 ( 1.759 1.073 -1.095) 2.333 21.932 ( 1.897 -1.469 -1.884) 3.051 21.932 ( 1.897 1.469 -1.884) 3.051 22.374 ( 1.838 -1.947 2.160) 3.440 22.374 ( 1.838 1.947 2.160) 3.440 22.470 ( 2.031 -1.524 0.356) 2.564 22.470 ( 2.031 1.524 0.356) 2.564 23.027 ( 4.367 -1.419 2.883) 5.422 23.027 ( 4.367 1.419 2.883) 5.422 23.108 ( 1.299 -0.353 3.490) 3.740 23.108 ( 1.299 0.353 3.490) 3.740 23.510 ( -0.166 -2.899 6.451) 7.075 23.510 ( -0.166 2.899 6.451) 7.075 24.133 ( -3.365 -7.628 -1.432) 8.460 24.133 ( -3.365 7.628 -1.432) 8.460 24.766 ( -3.583 -2.065 -2.331) 4.747 24.766 ( -3.583 2.065 -2.331) 4.747 25.526 ( -1.760 -1.817 -3.370) 4.214 25.526 ( -1.760 1.817 -3.370) 4.214 ======================= Grid point 21 (12/104) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.000 -55.653 0.000) 55.653 1.514 ( 0.000 55.653 0.000) 55.653 2.391 ( 0.000 -7.531 0.000) 7.531 2.391 ( 0.000 7.531 0.000) 7.531 2.500 ( 0.000 -4.574 0.000) 4.574 2.500 ( 0.000 4.574 0.000) 4.574 2.595 ( 0.000 -0.158 0.000) 0.158 2.595 ( 0.000 0.158 0.000) 0.158 2.742 ( 0.000 -2.537 -0.000) 2.537 2.742 ( 0.000 2.537 0.000) 2.537 2.881 ( 0.000 -7.908 0.000) 7.908 2.881 ( 0.000 7.908 0.000) 7.908 2.957 ( 0.000 -6.009 0.000) 6.009 2.957 ( 0.000 6.009 -0.000) 6.009 3.115 ( 0.000 -0.698 -0.000) 0.698 3.115 ( 0.000 0.698 0.000) 0.698 3.290 ( 0.000 -2.229 0.000) 2.229 3.290 ( 0.000 2.229 -0.000) 2.229 3.357 ( 0.000 -2.712 0.000) 2.712 3.357 ( 0.000 2.712 -0.000) 2.712 3.581 ( -0.000 -1.396 -0.000) 1.396 3.581 ( -0.000 1.396 -0.000) 1.396 3.679 ( 0.000 -2.706 0.000) 2.706 3.679 ( 0.000 2.706 0.000) 2.706 3.773 ( -0.000 -1.080 0.000) 1.080 3.773 ( 0.000 1.080 0.000) 1.080 3.831 ( 0.000 -4.152 -0.000) 4.152 3.831 ( 0.000 4.152 -0.000) 4.152 3.970 ( 0.000 -1.957 0.000) 1.957 3.970 ( 0.000 1.957 -0.000) 1.957 4.102 ( 0.000 -4.880 -0.000) 4.880 4.102 ( -0.000 4.880 -0.000) 4.880 4.109 ( 0.000 -1.690 0.000) 1.690 4.109 ( 0.000 1.690 0.000) 1.690 4.224 ( 0.000 -3.088 0.000) 3.088 4.224 ( 0.000 3.088 0.000) 3.088 4.435 ( 0.000 -1.581 0.000) 1.581 4.435 ( 0.000 1.581 0.000) 1.581 4.511 ( 0.000 -1.895 0.000) 1.895 4.511 ( 0.000 1.895 0.000) 1.895 4.676 ( 0.000 -8.384 0.000) 8.384 4.676 ( 0.000 8.384 0.000) 8.384 4.738 ( 0.000 -0.442 0.000) 0.442 4.738 ( 0.000 0.442 0.000) 0.442 4.817 ( -0.000 -0.764 0.000) 0.764 4.817 ( -0.000 0.764 0.000) 0.764 4.945 ( 0.000 -0.385 0.000) 0.385 4.945 ( 0.000 0.385 0.000) 0.385 5.007 ( 0.000 -2.705 0.000) 2.705 5.007 ( 0.000 2.705 -0.000) 2.705 5.029 ( -0.000 -3.599 0.000) 3.599 5.029 ( -0.000 3.599 0.000) 3.599 5.098 ( 0.000 -5.905 0.000) 5.905 5.098 ( 0.000 5.905 0.000) 5.905 5.297 ( 0.000 -0.658 0.000) 0.658 5.297 ( 0.000 0.658 -0.000) 0.658 5.362 ( 0.000 -0.458 0.000) 0.458 5.362 ( 0.000 0.458 0.000) 0.458 5.423 ( -0.000 -10.278 0.000) 10.278 5.423 ( -0.000 10.278 -0.000) 10.278 5.538 ( 0.000 -0.309 -0.000) 0.309 5.538 ( 0.000 0.309 0.000) 0.309 5.621 ( 0.000 -4.729 0.000) 4.729 5.621 ( 0.000 4.729 0.000) 4.729 5.807 ( -0.000 -5.376 0.000) 5.376 5.807 ( 0.000 5.376 0.000) 5.376 5.883 ( 0.000 -6.743 0.000) 6.743 5.883 ( 0.000 6.743 0.000) 6.743 6.032 ( 0.000 -3.157 0.000) 3.157 6.032 ( -0.000 3.157 0.000) 3.157 6.137 ( 0.000 -2.834 0.000) 2.834 6.137 ( -0.000 2.834 0.000) 2.834 6.352 ( 0.000 -7.435 0.000) 7.435 6.352 ( 0.000 7.435 0.000) 7.435 6.456 ( 0.000 -8.069 0.000) 8.069 6.456 ( 0.000 8.069 0.000) 8.069 6.691 ( 0.000 -2.895 0.000) 2.895 6.691 ( 0.000 2.895 0.000) 2.895 6.772 ( -0.000 -3.978 0.000) 3.978 6.772 ( 0.000 3.978 -0.000) 3.978 6.855 ( 0.000 -1.812 0.000) 1.812 6.855 ( 0.000 1.812 0.000) 1.812 6.861 ( -0.000 -0.381 -0.000) 0.381 6.861 ( -0.000 0.381 -0.000) 0.381 7.015 ( 0.000 -0.561 0.000) 0.561 7.015 ( 0.000 0.561 0.000) 0.561 7.178 ( 0.000 -2.986 0.000) 2.986 7.178 ( 0.000 2.986 -0.000) 2.986 7.230 ( 0.000 -1.953 -0.000) 1.953 7.230 ( -0.000 1.953 0.000) 1.953 7.324 ( 0.000 -3.073 0.000) 3.073 7.324 ( 0.000 3.073 0.000) 3.073 7.414 ( 0.000 -2.493 0.000) 2.493 7.414 ( -0.000 2.493 0.000) 2.493 7.497 ( -0.000 -4.283 -0.000) 4.283 7.497 ( -0.000 4.283 -0.000) 4.283 7.557 ( 0.000 -1.010 0.000) 1.010 7.557 ( 0.000 1.010 0.000) 1.010 7.641 ( -0.000 -1.066 -0.000) 1.066 7.641 ( 0.000 1.066 -0.000) 1.066 7.735 ( 0.000 -8.547 0.000) 8.547 7.735 ( 0.000 8.547 0.000) 8.547 7.906 ( 0.000 -1.179 0.000) 1.179 7.906 ( 0.000 1.179 0.000) 1.179 8.024 ( 0.000 -0.481 0.000) 0.481 8.024 ( 0.000 0.481 0.000) 0.481 8.144 ( 0.000 -8.602 0.000) 8.602 8.144 ( 0.000 8.602 0.000) 8.602 8.255 ( 0.000 -0.895 -0.000) 0.895 8.255 ( 0.000 0.895 0.000) 0.895 8.360 ( 0.000 -0.802 -0.000) 0.802 8.360 ( 0.000 0.802 0.000) 0.802 8.621 ( 0.000 -4.154 0.000) 4.154 8.621 ( 0.000 4.154 0.000) 4.154 8.760 ( 0.000 -2.620 -0.000) 2.620 8.760 ( -0.000 2.620 -0.000) 2.620 8.788 ( 0.000 -1.563 0.000) 1.563 8.788 ( 0.000 1.563 0.000) 1.563 8.906 ( 0.000 -5.679 0.000) 5.679 8.906 ( 0.000 5.679 -0.000) 5.679 9.212 ( 0.000 -7.629 0.000) 7.629 9.212 ( -0.000 7.629 0.000) 7.629 9.390 ( 0.000 -2.025 0.000) 2.025 9.390 ( 0.000 2.025 0.000) 2.025 9.535 ( 0.000 -4.931 0.000) 4.931 9.535 ( 0.000 4.931 0.000) 4.931 9.741 ( 0.000 -4.189 0.000) 4.189 9.741 ( 0.000 4.189 0.000) 4.189 9.855 ( 0.000 -0.455 0.000) 0.455 9.855 ( 0.000 0.455 0.000) 0.455 10.018 ( 0.000 -2.576 0.000) 2.576 10.018 ( -0.000 2.576 0.000) 2.576 10.140 ( 0.000 -2.408 0.000) 2.408 10.140 ( 0.000 2.408 0.000) 2.408 10.378 ( 0.000 -2.652 0.000) 2.652 10.378 ( 0.000 2.652 0.000) 2.652 11.402 ( 0.000 -6.210 0.000) 6.210 11.402 ( 0.000 6.210 0.000) 6.210 11.642 ( 0.000 -0.959 0.000) 0.959 11.642 ( 0.000 0.959 0.000) 0.959 11.796 ( 0.000 -12.077 0.000) 12.077 11.796 ( 0.000 12.077 0.000) 12.077 12.483 ( 0.000 -8.839 0.000) 8.839 12.483 ( 0.000 8.839 0.000) 8.839 12.513 ( 0.000 -0.896 0.000) 0.896 12.513 ( 0.000 0.896 0.000) 0.896 12.634 ( 0.000 -7.665 0.000) 7.665 12.634 ( 0.000 7.665 0.000) 7.665 13.104 ( -0.000 -2.007 -0.000) 2.007 13.104 ( 0.000 2.007 0.000) 2.007 13.156 ( 0.000 -9.361 0.000) 9.361 13.156 ( 0.000 9.361 0.000) 9.361 13.542 ( 0.000 -4.348 0.000) 4.348 13.542 ( 0.000 4.348 0.000) 4.348 14.627 ( 0.000 -2.216 0.000) 2.216 14.627 ( 0.000 2.216 0.000) 2.216 15.484 ( 0.000 -5.798 0.000) 5.798 15.484 ( 0.000 5.798 0.000) 5.798 15.998 ( 0.000 -0.761 0.000) 0.761 15.998 ( 0.000 0.761 0.000) 0.761 20.554 ( 0.000 -1.885 0.000) 1.885 20.554 ( 0.000 1.885 0.000) 1.885 20.630 ( 0.000 -0.979 0.000) 0.979 20.630 ( 0.000 0.979 0.000) 0.979 21.753 ( 0.000 -0.587 0.000) 0.587 21.753 ( 0.000 0.587 0.000) 0.587 21.830 ( 0.000 -0.263 0.000) 0.263 21.830 ( 0.000 0.263 0.000) 0.263 21.940 ( 0.000 -1.424 0.000) 1.424 21.940 ( 0.000 1.424 0.000) 1.424 22.400 ( 0.000 -2.059 0.000) 2.059 22.400 ( 0.000 2.059 0.000) 2.059 22.489 ( 0.000 -1.397 0.000) 1.397 22.489 ( 0.000 1.397 -0.000) 1.397 23.079 ( 0.000 -0.484 0.000) 0.484 23.079 ( 0.000 0.484 0.000) 0.484 23.136 ( 0.000 -0.392 0.000) 0.392 23.136 ( 0.000 0.392 0.000) 0.392 23.540 ( 0.000 -2.054 0.000) 2.054 23.540 ( 0.000 2.054 0.000) 2.054 24.098 ( 0.000 -6.435 0.000) 6.435 24.098 ( 0.000 6.435 0.000) 6.435 24.725 ( 0.000 -0.547 0.000) 0.547 24.725 ( 0.000 0.547 0.000) 0.547 25.494 ( 0.000 -2.170 0.000) 2.170 25.494 ( 0.000 2.170 0.000) 2.170 ======================= Grid point 33 (13/104) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 0.502 0.000 30.062) 30.067 0.596 ( 14.390 0.000 29.824) 33.114 1.050 ( -31.027 0.000 -15.300) 34.594 1.207 ( 10.732 0.000 60.517) 61.461 1.209 ( 3.955 0.000 11.191) 11.869 1.666 ( 3.633 0.000 29.478) 29.701 1.674 ( 3.423 0.000 14.523) 14.921 1.729 ( -2.943 0.000 -3.741) 4.760 1.832 ( 19.986 0.000 8.195) 21.601 2.081 ( 7.527 0.000 3.642) 8.362 2.370 ( 0.585 0.000 3.330) 3.381 2.373 ( 2.378 0.000 3.277) 4.049 2.403 ( -1.903 0.000 -5.959) 6.256 2.516 ( -1.180 0.000 -10.257) 10.325 2.523 ( 0.462 0.000 -0.727) 0.862 2.718 ( 0.497 0.000 -9.525) 9.538 2.745 ( 6.033 0.000 3.686) 7.070 2.745 ( 2.618 0.000 2.579) 3.675 2.908 ( 2.760 0.000 -4.129) 4.966 3.022 ( -3.690 0.000 5.541) 6.657 3.172 ( -4.490 0.000 -2.055) 4.938 3.189 ( -2.028 0.000 4.084) 4.560 3.242 ( 3.757 0.000 -5.303) 6.499 3.284 ( 0.650 0.000 1.551) 1.682 3.400 ( 1.695 0.000 -5.919) 6.157 3.526 ( 1.671 0.000 -2.243) 2.797 3.569 ( -1.041 0.000 3.165) 3.331 3.609 ( 7.284 0.000 -4.986) 8.827 3.644 ( -9.589 0.000 0.918) 9.633 3.757 ( 0.077 0.000 -1.521) 1.523 3.790 ( -7.179 0.000 -1.801) 7.402 3.839 ( 7.598 0.000 -4.283) 8.722 3.930 ( 0.162 0.000 -4.050) 4.054 3.961 ( 1.873 0.000 -0.112) 1.876 3.965 ( 0.417 0.000 -0.262) 0.493 4.041 ( -5.447 0.000 -4.443) 7.030 4.104 ( 3.658 0.000 3.477) 5.047 4.166 ( 10.683 0.000 0.371) 10.689 4.244 ( 1.690 0.000 5.920) 6.156 4.270 ( -7.921 0.000 -3.528) 8.671 4.326 ( -5.005 0.000 -2.826) 5.748 4.372 ( 4.790 0.000 4.488) 6.564 4.407 ( -3.832 0.000 -1.269) 4.037 4.440 ( 0.235 0.000 1.072) 1.098 4.590 ( -2.709 0.000 0.876) 2.847 4.598 ( -2.235 0.000 9.587) 9.844 4.615 ( 4.168 0.000 -0.101) 4.169 4.639 ( 2.793 0.000 2.614) 3.825 4.686 ( -5.868 0.000 0.809) 5.923 4.818 ( -1.642 0.000 -1.615) 2.303 4.858 ( -1.176 0.000 3.740) 3.921 4.935 ( 1.169 0.000 -6.415) 6.521 4.996 ( -2.120 0.000 12.585) 12.763 5.083 ( -1.027 0.000 2.274) 2.495 5.096 ( -1.275 0.000 -3.896) 4.100 5.169 ( -6.025 0.000 7.075) 9.292 5.229 ( 2.176 0.000 -1.041) 2.412 5.334 ( 2.178 0.000 0.578) 2.254 5.431 ( -6.365 0.000 -2.316) 6.773 5.505 ( -1.325 0.000 -0.412) 1.388 5.579 ( -0.731 0.000 -0.480) 0.874 5.580 ( -1.728 0.000 3.180) 3.620 5.687 ( -0.235 0.000 1.616) 1.633 5.750 ( -4.804 0.000 -10.104) 11.188 5.792 ( 3.248 0.000 -6.529) 7.292 5.870 ( 1.943 0.000 -0.497) 2.005 5.975 ( 1.943 0.000 2.585) 3.234 6.070 ( 0.871 0.000 -3.729) 3.830 6.124 ( -5.226 0.000 0.269) 5.233 6.220 ( -4.679 0.000 -2.397) 5.258 6.287 ( 3.906 0.000 5.919) 7.091 6.380 ( 0.789 0.000 -6.987) 7.032 6.381 ( 2.247 0.000 6.653) 7.022 6.436 ( -1.556 0.000 5.825) 6.029 6.551 ( -0.698 0.000 4.846) 4.896 6.552 ( -4.442 0.000 -0.331) 4.454 6.583 ( -0.020 0.000 7.717) 7.717 6.605 ( 0.456 0.000 0.172) 0.488 6.640 ( 2.196 0.000 3.488) 4.122 6.728 ( 1.836 0.000 -4.865) 5.200 6.816 ( -1.109 0.000 0.716) 1.320 6.873 ( 0.001 0.000 1.809) 1.809 6.883 ( -0.951 0.000 -10.863) 10.905 7.064 ( 0.559 0.000 -2.824) 2.879 7.095 ( -0.448 0.000 -4.381) 4.404 7.165 ( -8.392 0.000 -1.343) 8.499 7.203 ( 1.638 0.000 1.462) 2.195 7.225 ( -6.853 0.000 1.687) 7.057 7.283 ( -0.880 0.000 -1.920) 2.112 7.352 ( -2.871 0.000 -9.130) 9.571 7.385 ( 6.351 0.000 -0.296) 6.357 7.428 ( -2.068 0.000 -6.011) 6.357 7.470 ( 0.587 0.000 -6.089) 6.117 7.536 ( -2.424 0.000 -3.607) 4.346 7.544 ( 0.850 0.000 3.840) 3.933 7.584 ( 0.657 0.000 -4.099) 4.152 7.606 ( -4.951 0.000 -0.830) 5.020 7.643 ( -6.789 0.000 -3.213) 7.511 7.768 ( 1.028 0.000 -4.575) 4.689 7.771 ( 2.669 0.000 -5.930) 6.503 7.942 ( 0.592 0.000 0.838) 1.026 7.965 ( -0.652 0.000 -1.489) 1.626 8.118 ( -0.996 0.000 -0.587) 1.156 8.132 ( -2.801 0.000 -2.153) 3.533 8.144 ( -2.693 0.000 -2.173) 3.460 8.262 ( 3.070 0.000 -2.870) 4.202 8.308 ( 0.865 0.000 -7.345) 7.396 8.371 ( 4.426 0.000 -0.054) 4.426 8.384 ( -0.812 0.000 0.387) 0.899 8.510 ( 3.618 0.000 2.282) 4.278 8.616 ( 3.163 0.000 0.294) 3.177 8.693 ( -0.858 0.000 0.300) 0.909 8.762 ( 0.804 0.000 0.546) 0.972 8.777 ( 2.194 0.000 4.408) 4.924 8.831 ( -3.528 0.000 -4.139) 5.439 8.871 ( -1.243 0.000 6.128) 6.253 8.929 ( 3.165 0.000 -1.284) 3.416 8.978 ( 1.016 0.000 5.558) 5.650 9.058 ( 0.817 0.000 2.208) 2.354 9.134 ( 1.061 0.000 -3.181) 3.353 9.215 ( -1.143 0.000 -5.928) 6.038 9.346 ( 1.268 0.000 4.058) 4.252 9.462 ( 1.585 0.000 -1.188) 1.981 9.467 ( 2.347 0.000 3.873) 4.529 9.586 ( -6.840 0.000 -1.622) 7.030 9.638 ( -10.628 0.000 5.978) 12.194 9.815 ( 3.462 0.000 8.518) 9.195 9.931 ( 4.558 0.000 3.764) 5.911 9.965 ( 1.008 0.000 2.568) 2.759 10.009 ( -0.992 0.000 0.670) 1.197 10.157 ( -2.008 0.000 5.464) 5.821 10.246 ( 0.354 0.000 3.711) 3.728 10.493 ( -1.011 0.000 0.699) 1.229 10.528 ( 6.284 0.000 -6.508) 9.047 10.808 ( 0.745 0.000 -0.659) 0.994 11.012 ( -0.445 0.000 -1.718) 1.774 11.650 ( 0.082 0.000 -0.281) 0.293 11.724 ( -0.710 0.000 -2.289) 2.396 11.851 ( -1.949 0.000 2.989) 3.568 12.159 ( -8.625 0.000 -2.545) 8.993 12.295 ( 5.847 0.000 1.296) 5.989 12.296 ( -0.325 0.000 -0.230) 0.398 12.393 ( 2.363 0.000 -12.905) 13.119 12.487 ( -4.094 0.000 -2.796) 4.958 12.526 ( -5.004 0.000 -4.511) 6.737 12.569 ( 4.033 0.000 0.354) 4.048 12.751 ( 10.038 0.000 -3.388) 10.594 12.783 ( 2.164 0.000 -4.608) 5.091 12.898 ( -15.014 0.000 -5.559) 16.010 13.092 ( -0.570 0.000 -7.427) 7.449 13.161 ( 4.690 0.000 -0.480) 4.715 13.380 ( 0.501 0.000 1.895) 1.960 13.390 ( -1.820 0.000 -10.844) 10.995 13.580 ( -2.475 0.000 -6.388) 6.851 14.670 ( -0.298 0.000 -12.727) 12.730 14.799 ( -0.622 0.000 -5.924) 5.956 15.442 ( -0.075 0.000 -6.192) 6.193 15.453 ( -0.035 0.000 -4.387) 4.388 16.055 ( 0.357 0.000 -2.607) 2.632 16.129 ( -0.450 0.000 -2.819) 2.855 20.546 ( -0.789 0.000 -0.424) 0.896 20.654 ( -1.712 0.000 -2.464) 3.000 20.770 ( -0.991 0.000 -6.648) 6.721 20.779 ( -1.638 0.000 -2.122) 2.680 21.446 ( 0.038 0.000 1.372) 1.372 21.531 ( 1.388 0.000 -0.846) 1.625 21.701 ( -3.604 0.000 -1.037) 3.750 21.723 ( -2.191 0.000 -3.230) 3.903 21.732 ( -2.377 0.000 -1.248) 2.684 21.774 ( -1.219 0.000 -6.096) 6.217 22.092 ( 2.492 0.000 5.093) 5.670 22.106 ( 1.621 0.000 3.346) 3.718 22.129 ( 0.799 0.000 4.922) 4.986 22.181 ( 2.846 0.000 5.633) 6.311 22.239 ( 5.582 0.000 15.484) 16.459 22.423 ( 5.691 0.000 6.408) 8.570 22.873 ( 0.542 0.000 4.010) 4.047 22.879 ( 0.550 0.000 4.413) 4.447 23.221 ( 0.350 0.000 26.239) 26.241 24.227 ( -0.294 0.000 -2.001) 2.022 24.445 ( 2.071 0.000 -7.540) 7.819 24.984 ( -0.074 0.000 -13.480) 13.480 25.129 ( 0.319 0.000 -7.206) 7.213 25.245 ( -0.555 0.000 -6.586) 6.609 25.436 ( 0.587 0.000 -8.409) 8.429 25.500 ( 0.030 0.000 -3.000) 3.000 ======================= Grid point 34 (14/104) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 2.084 0.000 8.204) 8.464 1.031 ( 16.768 0.000 23.400) 28.788 1.336 ( 30.889 0.000 24.110) 39.185 1.650 ( 28.907 0.000 7.719) 29.920 1.704 ( 11.767 0.000 -3.339) 12.232 1.935 ( 7.656 0.000 17.675) 19.262 2.091 ( 8.391 0.000 28.997) 30.187 2.095 ( 24.756 0.000 40.589) 47.543 2.145 ( 21.132 0.000 1.517) 21.186 2.303 ( 18.280 0.000 -9.599) 20.647 2.363 ( 7.145 0.000 -8.965) 11.464 2.422 ( 8.725 0.000 -5.489) 10.308 2.502 ( 5.866 0.000 4.393) 7.329 2.643 ( 11.599 0.000 6.036) 13.076 2.653 ( 8.927 0.000 1.801) 9.107 2.743 ( 5.309 0.000 -5.326) 7.520 2.816 ( 3.100 0.000 -1.157) 3.309 2.853 ( 6.865 0.000 13.413) 15.068 3.000 ( -2.467 0.000 1.781) 3.042 3.006 ( 6.355 0.000 1.160) 6.460 3.138 ( -4.387 0.000 4.119) 6.018 3.151 ( 3.501 0.000 1.763) 3.920 3.264 ( 3.812 0.000 0.078) 3.813 3.286 ( -1.061 0.000 -0.603) 1.221 3.374 ( -3.734 0.000 -1.374) 3.979 3.485 ( -4.572 0.000 -1.231) 4.735 3.534 ( -4.028 0.000 0.612) 4.074 3.543 ( 0.717 0.000 -4.486) 4.543 3.654 ( -1.209 0.000 -1.951) 2.295 3.705 ( 2.059 0.000 -1.854) 2.770 3.747 ( 1.516 0.000 -0.803) 1.716 3.832 ( -1.996 0.000 -5.279) 5.644 3.989 ( 2.226 0.000 -1.535) 2.704 4.029 ( 7.913 0.000 -3.825) 8.789 4.029 ( 3.577 0.000 4.434) 5.697 4.066 ( -3.076 0.000 -1.694) 3.511 4.077 ( 17.472 0.000 1.218) 17.515 4.228 ( 4.143 0.000 3.388) 5.352 4.232 ( -4.421 0.000 -1.907) 4.815 4.294 ( 0.255 0.000 -1.839) 1.857 4.403 ( -3.653 0.000 4.912) 6.122 4.416 ( 10.694 0.000 0.006) 10.694 4.505 ( 5.677 0.000 -0.638) 5.712 4.541 ( 11.195 0.000 0.458) 11.204 4.575 ( 8.273 0.000 3.273) 8.897 4.623 ( -4.581 0.000 4.928) 6.728 4.687 ( 2.709 0.000 5.332) 5.980 4.695 ( -2.119 0.000 -0.475) 2.172 4.758 ( 9.032 0.000 -0.374) 9.040 4.788 ( 8.972 0.000 5.041) 10.291 4.904 ( 1.488 0.000 -3.604) 3.899 4.915 ( 4.155 0.000 0.260) 4.164 5.030 ( -0.914 0.000 -5.149) 5.229 5.034 ( 0.100 0.000 -6.308) 6.309 5.130 ( -1.490 0.000 1.089) 1.845 5.155 ( 5.141 0.000 11.201) 12.325 5.300 ( -5.733 0.000 -0.262) 5.739 5.326 ( 1.710 0.000 2.855) 3.328 5.387 ( 1.044 0.000 1.456) 1.792 5.508 ( 2.151 0.000 1.445) 2.591 5.546 ( -2.912 0.000 -0.235) 2.921 5.589 ( -0.733 0.000 1.175) 1.385 5.606 ( 0.418 0.000 -5.574) 5.590 5.725 ( 1.322 0.000 4.648) 4.833 5.783 ( 2.445 0.000 -5.913) 6.399 5.899 ( 2.578 0.000 -2.690) 3.726 5.996 ( -5.932 0.000 -0.835) 5.990 6.063 ( -0.472 0.000 0.950) 1.061 6.106 ( 4.823 0.000 2.507) 5.436 6.129 ( -3.031 0.000 -2.153) 3.718 6.264 ( -3.057 0.000 -7.146) 7.773 6.329 ( -2.638 0.000 2.640) 3.732 6.402 ( 1.798 0.000 -5.077) 5.386 6.432 ( 0.158 0.000 -2.704) 2.709 6.519 ( -8.886 0.000 -3.726) 9.636 6.559 ( -2.047 0.000 4.754) 5.176 6.647 ( 0.232 0.000 5.366) 5.371 6.648 ( -0.076 0.000 3.887) 3.888 6.703 ( 1.120 0.000 4.771) 4.900 6.754 ( 2.137 0.000 4.629) 5.098 6.783 ( 1.138 0.000 3.531) 3.710 6.833 ( -3.503 0.000 -2.667) 4.402 6.883 ( 0.538 0.000 -0.139) 0.556 6.943 ( -6.936 0.000 -11.400) 13.344 6.972 ( -12.519 0.000 -5.025) 13.490 6.991 ( -2.731 0.000 -7.262) 7.758 7.033 ( -12.144 0.000 -5.587) 13.368 7.112 ( -13.902 0.000 -9.408) 16.786 7.172 ( -7.916 0.000 -9.004) 11.989 7.270 ( 2.478 0.000 0.382) 2.508 7.275 ( -1.049 0.000 -4.340) 4.465 7.358 ( -7.615 0.000 -4.769) 8.985 7.375 ( -3.007 0.000 -4.375) 5.309 7.387 ( -1.398 0.000 -2.346) 2.731 7.566 ( 2.629 0.000 -0.894) 2.776 7.573 ( -0.993 0.000 -1.071) 1.460 7.641 ( 1.446 0.000 3.794) 4.060 7.646 ( 6.693 0.000 -1.180) 6.796 7.768 ( 2.280 0.000 -0.356) 2.307 7.844 ( 2.069 0.000 2.937) 3.592 7.925 ( -2.489 0.000 -1.289) 2.803 7.967 ( 1.874 0.000 1.178) 2.214 8.061 ( -3.037 0.000 -2.085) 3.684 8.094 ( 1.365 0.000 -1.211) 1.825 8.110 ( 0.655 0.000 -5.344) 5.384 8.252 ( -0.454 0.000 -4.814) 4.836 8.265 ( 0.325 0.000 -3.206) 3.223 8.369 ( -1.551 0.000 0.040) 1.552 8.430 ( 3.422 0.000 -2.658) 4.333 8.545 ( -0.804 0.000 -0.630) 1.022 8.608 ( -4.729 0.000 -4.494) 6.524 8.666 ( 0.318 0.000 1.285) 1.324 8.743 ( -6.281 0.000 0.111) 6.282 8.796 ( 4.186 0.000 -0.892) 4.280 8.820 ( -10.701 0.000 5.480) 12.023 8.842 ( -2.348 0.000 5.967) 6.412 8.922 ( 1.331 0.000 -2.280) 2.640 9.008 ( -2.984 0.000 -3.814) 4.843 9.087 ( -0.539 0.000 -3.024) 3.072 9.127 ( 3.918 0.000 5.722) 6.934 9.161 ( 1.103 0.000 -1.943) 2.234 9.396 ( -2.214 0.000 1.215) 2.525 9.448 ( -3.307 0.000 -3.338) 4.699 9.505 ( 2.685 0.000 -4.325) 5.091 9.584 ( 2.306 0.000 5.847) 6.285 9.650 ( 8.938 0.000 -0.002) 8.938 9.917 ( 2.172 0.000 1.541) 2.663 9.965 ( -4.551 0.000 -0.204) 4.556 9.991 ( -2.113 0.000 1.699) 2.712 10.037 ( 1.980 0.000 3.274) 3.826 10.190 ( -0.549 0.000 5.602) 5.629 10.278 ( -1.738 0.000 4.727) 5.036 10.396 ( -9.511 0.000 0.518) 9.525 10.438 ( -5.394 0.000 -0.716) 5.442 10.782 ( -3.520 0.000 -1.868) 3.985 10.862 ( -13.227 0.000 -3.151) 13.597 11.667 ( 0.310 0.000 0.041) 0.313 11.679 ( -2.078 0.000 -2.131) 2.976 11.813 ( -4.316 0.000 1.595) 4.601 11.946 ( -12.974 0.000 -3.322) 13.392 12.188 ( -6.665 0.000 -0.326) 6.673 12.279 ( -13.615 0.000 -6.717) 15.182 12.350 ( 0.119 0.000 -0.699) 0.709 12.388 ( 0.076 0.000 -5.190) 5.190 12.410 ( 4.148 0.000 -4.991) 6.490 12.648 ( 0.331 0.000 -3.289) 3.306 12.734 ( -0.354 0.000 -0.760) 0.839 12.795 ( 4.655 0.000 -7.643) 8.949 12.835 ( 6.171 0.000 -7.431) 9.659 13.012 ( 0.884 0.000 -7.307) 7.360 13.198 ( -6.658 0.000 -7.750) 10.217 13.252 ( 4.935 0.000 -1.056) 5.047 13.422 ( 4.665 0.000 -2.534) 5.309 13.487 ( -0.909 0.000 -3.816) 3.923 14.554 ( 0.785 0.000 -10.053) 10.084 14.717 ( -0.905 0.000 -7.462) 7.517 15.397 ( 2.206 0.000 -7.431) 7.752 15.433 ( 2.958 0.000 -5.035) 5.840 16.032 ( 0.220 0.000 -2.931) 2.940 16.102 ( 0.795 0.000 -4.257) 4.330 20.532 ( -0.150 0.000 -0.948) 0.960 20.615 ( -0.712 0.000 -3.111) 3.192 20.678 ( -2.284 0.000 -4.350) 4.913 20.735 ( -1.004 0.000 -3.690) 3.825 21.511 ( 5.129 0.000 0.167) 5.131 21.552 ( 2.612 0.000 0.224) 2.622 21.684 ( 0.976 0.000 -2.354) 2.548 21.714 ( 4.165 0.000 -1.473) 4.418 21.740 ( 1.529 0.000 -2.861) 3.244 21.769 ( 5.480 0.000 -2.782) 6.145 22.183 ( 3.045 0.000 3.906) 4.953 22.199 ( 4.725 0.000 3.556) 5.913 22.222 ( 2.561 0.000 7.506) 7.931 22.291 ( 3.971 0.000 4.686) 6.142 22.513 ( 9.843 0.000 11.932) 15.468 22.611 ( 8.932 0.000 5.420) 10.448 22.942 ( 1.970 0.000 5.571) 5.909 22.954 ( 2.038 0.000 6.322) 6.642 23.422 ( -2.904 0.000 19.572) 19.787 24.030 ( -26.464 0.000 9.644) 28.167 24.184 ( -1.851 0.000 -2.844) 3.394 24.788 ( -9.246 0.000 -16.882) 19.248 24.985 ( -6.200 0.000 -6.612) 9.064 25.159 ( -2.381 0.000 -10.176) 10.451 25.505 ( 10.293 0.000 -10.835) 14.945 25.533 ( 5.594 0.000 -6.122) 8.293 ======================= Grid point 35 (15/104) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 36.602 0.000 18.068) 40.819 1.335 ( -1.459 0.000 6.271) 6.438 1.987 ( 22.424 0.000 16.031) 27.565 1.999 ( 23.717 0.000 0.546) 23.723 2.206 ( 26.817 0.000 0.489) 26.822 2.225 ( 10.761 0.000 8.883) 13.954 2.333 ( 13.988 0.000 -4.812) 14.792 2.433 ( 10.206 0.000 -4.073) 10.988 2.459 ( 11.129 0.000 4.666) 12.068 2.532 ( 13.318 0.000 -9.361) 16.279 2.579 ( 8.596 0.000 10.995) 13.956 2.626 ( 12.975 0.000 4.915) 13.874 2.734 ( 4.086 0.000 2.409) 4.743 2.758 ( 2.444 0.000 -7.798) 8.172 2.839 ( 9.681 0.000 -3.535) 10.306 2.858 ( 5.548 0.000 2.685) 6.164 2.937 ( -0.536 0.000 8.954) 8.970 3.050 ( 2.449 0.000 5.898) 6.387 3.095 ( 21.219 0.000 23.327) 31.534 3.154 ( -4.034 0.000 -3.038) 5.050 3.183 ( 8.636 0.000 7.210) 11.250 3.274 ( 8.357 0.000 5.203) 9.844 3.310 ( 14.030 0.000 12.374) 18.708 3.344 ( 0.878 0.000 0.669) 1.104 3.421 ( 6.293 0.000 4.119) 7.521 3.429 ( -1.104 0.000 -4.258) 4.399 3.436 ( -4.218 0.000 -3.719) 5.623 3.519 ( 6.343 0.000 2.975) 7.006 3.661 ( 3.968 0.000 -0.760) 4.040 3.734 ( 0.758 0.000 0.817) 1.114 3.765 ( -0.397 0.000 0.914) 0.996 3.885 ( 8.802 0.000 0.586) 8.822 4.023 ( -3.512 0.000 -0.046) 3.512 4.033 ( 3.731 0.000 0.033) 3.732 4.130 ( 6.659 0.000 2.500) 7.113 4.156 ( 10.204 0.000 -0.994) 10.252 4.172 ( -1.659 0.000 3.230) 3.631 4.302 ( -0.014 0.000 3.661) 3.661 4.317 ( 2.888 0.000 -2.008) 3.517 4.355 ( -1.277 0.000 2.766) 3.047 4.414 ( 10.338 0.000 2.950) 10.750 4.580 ( -1.151 0.000 3.573) 3.754 4.583 ( 6.376 0.000 1.021) 6.458 4.593 ( 4.280 0.000 4.991) 6.575 4.634 ( 7.980 0.000 1.763) 8.172 4.727 ( 2.921 0.000 2.124) 3.612 4.742 ( 5.326 0.000 -4.820) 7.184 4.831 ( 6.553 0.000 2.098) 6.881 4.889 ( 1.245 0.000 -4.074) 4.260 4.937 ( 4.914 0.000 3.683) 6.141 4.971 ( 2.782 0.000 -4.199) 5.037 5.021 ( 10.363 0.000 -3.129) 10.825 5.040 ( 7.285 0.000 -0.339) 7.293 5.061 ( 11.645 0.000 0.371) 11.651 5.173 ( 5.745 0.000 -0.035) 5.745 5.311 ( 7.599 0.000 -0.007) 7.599 5.316 ( 0.611 0.000 3.028) 3.089 5.345 ( 1.443 0.000 1.728) 2.251 5.401 ( 6.561 0.000 4.513) 7.963 5.515 ( -2.413 0.000 -2.840) 3.727 5.570 ( -1.268 0.000 1.987) 2.357 5.614 ( 7.623 0.000 3.366) 8.333 5.626 ( 3.396 0.000 -0.582) 3.445 5.751 ( -1.904 0.000 -0.560) 1.984 5.753 ( 0.801 0.000 -4.814) 4.880 5.906 ( -4.822 0.000 3.054) 5.708 5.935 ( 2.358 0.000 -2.494) 3.432 6.025 ( -1.078 0.000 -4.808) 4.928 6.093 ( 0.674 0.000 4.155) 4.209 6.108 ( -11.342 0.000 -7.560) 13.630 6.212 ( -0.041 0.000 -4.985) 4.985 6.219 ( 0.081 0.000 -3.088) 3.089 6.341 ( -4.277 0.000 0.361) 4.292 6.396 ( -2.234 0.000 -6.155) 6.548 6.422 ( -1.982 0.000 -3.404) 3.939 6.490 ( -9.937 0.000 -2.645) 10.283 6.562 ( -11.798 0.000 -7.223) 13.834 6.590 ( -5.440 0.000 -11.222) 12.471 6.671 ( -2.589 0.000 -2.742) 3.771 6.680 ( -7.640 0.000 -7.445) 10.668 6.745 ( -6.591 0.000 -3.493) 7.459 6.760 ( 2.728 0.000 2.782) 3.896 6.804 ( -1.478 0.000 0.904) 1.733 6.835 ( -1.143 0.000 2.052) 2.349 6.844 ( -4.539 0.000 -2.763) 5.314 6.852 ( -1.367 0.000 2.258) 2.639 6.965 ( 2.550 0.000 -2.734) 3.738 6.988 ( 2.127 0.000 8.597) 8.856 7.021 ( 1.102 0.000 4.973) 5.093 7.246 ( -3.771 0.000 2.117) 4.325 7.295 ( -0.334 0.000 -0.181) 0.380 7.298 ( 0.503 0.000 4.532) 4.560 7.331 ( 0.370 0.000 -1.340) 1.390 7.370 ( 1.543 0.000 0.414) 1.598 7.536 ( -1.908 0.000 -1.195) 2.251 7.593 ( -2.070 0.000 -1.096) 2.342 7.681 ( 2.042 0.000 2.332) 3.099 7.696 ( -0.245 0.000 1.779) 1.796 7.793 ( -7.334 0.000 -1.846) 7.562 7.814 ( -3.439 0.000 4.467) 5.637 7.894 ( 3.159 0.000 -0.164) 3.163 7.953 ( -2.961 0.000 -6.587) 7.222 8.015 ( 3.362 0.000 -3.188) 4.633 8.086 ( 0.785 0.000 -3.054) 3.154 8.165 ( 0.312 0.000 1.149) 1.191 8.215 ( -0.022 0.000 -0.603) 0.603 8.229 ( 2.137 0.000 -1.528) 2.627 8.329 ( -2.328 0.000 -1.625) 2.839 8.411 ( -3.545 0.000 -4.014) 5.355 8.450 ( -8.262 0.000 -4.151) 9.246 8.496 ( -2.760 0.000 -2.011) 3.415 8.613 ( -7.524 0.000 -1.430) 7.659 8.667 ( -0.394 0.000 -0.544) 0.672 8.673 ( -9.781 0.000 1.328) 9.871 8.780 ( -3.068 0.000 -3.608) 4.736 8.862 ( 3.694 0.000 -0.350) 3.711 8.904 ( -4.295 0.000 -5.932) 7.324 8.972 ( 3.226 0.000 -1.972) 3.781 9.030 ( -3.204 0.000 -3.139) 4.485 9.083 ( -6.036 0.000 2.052) 6.375 9.219 ( -2.071 0.000 -2.164) 2.995 9.371 ( 1.531 0.000 -2.602) 3.019 9.394 ( 0.830 0.000 0.358) 0.904 9.503 ( 2.769 0.000 -7.289) 7.797 9.616 ( -2.051 0.000 -1.233) 2.393 9.755 ( 4.581 0.000 -6.619) 8.050 9.855 ( -6.043 0.000 -2.433) 6.514 9.918 ( -1.365 0.000 -2.500) 2.849 9.931 ( -5.203 0.000 3.701) 6.385 10.067 ( -1.378 0.000 1.989) 2.419 10.226 ( -0.706 0.000 3.312) 3.387 10.249 ( -7.309 0.000 2.285) 7.658 10.308 ( -5.759 0.000 6.802) 8.913 10.310 ( -7.483 0.000 -2.620) 7.928 10.587 ( -14.530 0.000 -0.449) 14.537 10.650 ( -8.473 0.000 -2.517) 8.839 11.621 ( -2.805 0.000 -0.715) 2.895 11.629 ( -6.579 0.000 -0.397) 6.591 11.728 ( -7.280 0.000 -1.204) 7.379 11.769 ( -3.391 0.000 2.309) 4.102 11.930 ( -15.150 0.000 -1.682) 15.243 12.180 ( -1.389 0.000 0.664) 1.540 12.292 ( -1.023 0.000 -6.162) 6.246 12.387 ( 1.785 0.000 -3.255) 3.712 12.451 ( 5.089 0.000 -2.704) 5.763 12.567 ( -5.519 0.000 0.430) 5.536 12.729 ( 0.018 0.000 -1.690) 1.690 12.750 ( 1.801 0.000 -10.947) 11.094 12.889 ( 7.407 0.000 -4.500) 8.667 13.002 ( 1.361 0.000 -0.347) 1.405 13.084 ( -1.611 0.000 -2.462) 2.942 13.289 ( 1.298 0.000 -1.599) 2.060 13.461 ( 1.960 0.000 -4.671) 5.066 13.475 ( 5.613 0.000 -5.130) 7.604 14.513 ( 3.252 0.000 -6.320) 7.107 14.644 ( 0.561 0.000 -6.729) 6.752 15.373 ( 2.724 0.000 -6.287) 6.852 15.448 ( 4.178 0.000 -4.831) 6.387 16.010 ( 0.338 0.000 -2.489) 2.512 16.064 ( -0.245 0.000 -4.630) 4.636 20.523 ( 0.287 0.000 -0.992) 1.033 20.582 ( -0.331 0.000 -1.628) 1.661 20.622 ( -0.795 0.000 -2.126) 2.270 20.682 ( -1.237 0.000 -2.671) 2.944 21.596 ( 5.212 0.000 -0.784) 5.271 21.615 ( 4.244 0.000 0.087) 4.245 21.702 ( 2.868 0.000 -1.152) 3.091 21.758 ( 2.696 0.000 -1.433) 3.053 21.782 ( 5.009 0.000 -1.037) 5.115 21.829 ( 4.732 0.000 -2.559) 5.380 22.269 ( 2.951 0.000 3.273) 4.407 22.309 ( 4.840 0.000 2.074) 5.265 22.333 ( 2.433 0.000 6.103) 6.570 22.393 ( 3.334 0.000 3.395) 4.758 22.763 ( 9.132 0.000 6.162) 11.017 22.807 ( 8.918 0.000 3.478) 9.572 23.033 ( 2.335 0.000 5.274) 5.768 23.054 ( 2.303 0.000 6.176) 6.592 23.514 ( -3.354 0.000 11.853) 12.319 23.791 ( -13.676 0.000 7.724) 15.706 24.119 ( -2.329 0.000 -2.971) 3.776 24.485 ( -9.628 0.000 -10.754) 14.434 24.841 ( -4.232 0.000 -4.844) 6.432 24.991 ( -5.634 0.000 -9.085) 10.690 25.526 ( 4.092 0.000 -8.672) 9.589 25.530 ( 1.884 0.000 -7.250) 7.491 ======================= Grid point 36 (16/104) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -16.648 0.000 -0.624) 16.659 1.857 ( 24.996 0.000 8.971) 26.557 2.290 ( 13.442 0.000 -8.132) 15.710 2.339 ( 13.765 0.000 -6.620) 15.274 2.426 ( 8.627 0.000 0.368) 8.635 2.437 ( 2.648 0.000 -5.171) 5.810 2.494 ( 5.778 0.000 3.050) 6.533 2.540 ( -3.001 0.000 -3.591) 4.680 2.569 ( 10.577 0.000 -9.017) 13.899 2.681 ( 9.948 0.000 -5.134) 11.195 2.721 ( 6.338 0.000 -0.192) 6.341 2.801 ( 0.853 0.000 -3.036) 3.154 2.856 ( 9.458 0.000 4.529) 10.487 2.870 ( 10.952 0.000 4.136) 11.707 2.922 ( 11.124 0.000 9.057) 14.344 3.012 ( 11.738 0.000 0.666) 11.757 3.053 ( -4.343 0.000 0.837) 4.423 3.242 ( 11.589 0.000 7.262) 13.676 3.252 ( 3.769 0.000 5.966) 7.056 3.292 ( 1.868 0.000 5.628) 5.930 3.323 ( 5.196 0.000 1.893) 5.530 3.358 ( 7.740 0.000 6.756) 10.274 3.409 ( 5.812 0.000 3.440) 6.754 3.413 ( 7.022 0.000 3.041) 7.652 3.541 ( 10.345 0.000 4.730) 11.375 3.580 ( 4.754 0.000 -1.445) 4.969 3.729 ( 12.458 0.000 6.366) 13.990 3.737 ( -1.570 0.000 3.201) 3.565 3.774 ( 8.572 0.000 7.411) 11.331 3.836 ( 7.790 0.000 4.089) 8.799 3.859 ( 10.724 0.000 5.036) 11.847 3.952 ( -0.431 0.000 0.607) 0.745 3.974 ( 3.327 0.000 4.498) 5.595 4.136 ( 5.741 0.000 1.101) 5.846 4.206 ( 1.123 0.000 -3.360) 3.542 4.225 ( 3.470 0.000 5.742) 6.709 4.290 ( 0.772 0.000 2.530) 2.645 4.293 ( -4.360 0.000 4.145) 6.016 4.431 ( 10.922 0.000 10.370) 15.061 4.438 ( 8.852 0.000 0.521) 8.867 4.550 ( -1.430 0.000 3.997) 4.246 4.631 ( 6.085 0.000 0.713) 6.126 4.639 ( 4.508 0.000 0.617) 4.550 4.720 ( 1.721 0.000 -4.526) 4.842 4.730 ( 4.552 0.000 0.031) 4.552 4.816 ( 4.168 0.000 5.221) 6.681 4.832 ( 3.640 0.000 2.375) 4.347 4.890 ( 2.125 0.000 1.271) 2.477 4.924 ( 8.959 0.000 -4.959) 10.240 4.984 ( 0.997 0.000 1.543) 1.837 5.045 ( 1.007 0.000 6.667) 6.743 5.123 ( 4.150 0.000 -2.136) 4.668 5.137 ( 8.172 0.000 -5.483) 9.841 5.196 ( 5.101 0.000 -5.652) 7.613 5.249 ( 0.606 0.000 1.895) 1.989 5.292 ( -0.569 0.000 -5.274) 5.305 5.399 ( 5.006 0.000 1.165) 5.140 5.458 ( -1.822 0.000 0.989) 2.073 5.477 ( 8.159 0.000 -1.502) 8.296 5.511 ( -8.303 0.000 -7.190) 10.984 5.573 ( -1.847 0.000 1.593) 2.439 5.628 ( 3.945 0.000 3.110) 5.023 5.686 ( -3.082 0.000 -1.431) 3.398 5.726 ( -5.459 0.000 -0.253) 5.464 5.796 ( -1.947 0.000 0.386) 1.985 5.825 ( -6.083 0.000 -2.205) 6.470 5.876 ( 8.091 0.000 2.865) 8.583 5.964 ( -17.154 0.000 -5.198) 17.924 6.017 ( -4.537 0.000 -4.070) 6.095 6.046 ( 5.169 0.000 -5.753) 7.734 6.106 ( 0.962 0.000 -7.355) 7.418 6.155 ( -0.728 0.000 -6.718) 6.758 6.200 ( 3.080 0.000 1.523) 3.436 6.330 ( -4.426 0.000 -5.301) 6.906 6.369 ( 2.959 0.000 -1.941) 3.539 6.381 ( 8.297 0.000 -1.373) 8.410 6.388 ( 4.913 0.000 0.615) 4.952 6.463 ( -0.844 0.000 -9.545) 9.582 6.634 ( 5.638 0.000 -0.592) 5.669 6.644 ( -1.436 0.000 1.146) 1.837 6.702 ( -6.230 0.000 -2.416) 6.682 6.773 ( 7.174 0.000 0.911) 7.231 6.807 ( 3.599 0.000 -3.992) 5.375 6.811 ( 3.056 0.000 0.631) 3.121 6.877 ( 2.758 0.000 6.076) 6.673 6.962 ( 5.181 0.000 5.057) 7.240 7.079 ( -0.965 0.000 7.599) 7.660 7.095 ( 2.286 0.000 6.033) 6.452 7.154 ( 6.768 0.000 7.716) 10.264 7.218 ( -2.906 0.000 1.201) 3.144 7.303 ( 2.725 0.000 0.961) 2.889 7.322 ( -0.818 0.000 5.330) 5.393 7.378 ( 2.736 0.000 7.554) 8.035 7.432 ( -0.893 0.000 2.219) 2.392 7.501 ( -7.165 0.000 0.836) 7.214 7.539 ( 1.607 0.000 0.970) 1.877 7.610 ( -5.867 0.000 -2.103) 6.233 7.655 ( -3.883 0.000 -6.096) 7.228 7.696 ( -2.944 0.000 0.227) 2.953 7.742 ( -3.931 0.000 -2.572) 4.698 7.886 ( 1.897 0.000 -0.080) 1.899 8.004 ( -0.897 0.000 -5.628) 5.699 8.033 ( -1.866 0.000 -0.466) 1.923 8.042 ( -10.779 0.000 -4.824) 11.809 8.045 ( 3.468 0.000 2.113) 4.061 8.160 ( -8.440 0.000 -0.933) 8.491 8.218 ( -10.148 0.000 -7.666) 12.718 8.272 ( -2.174 0.000 -2.267) 3.141 8.272 ( 3.886 0.000 5.411) 6.662 8.377 ( -1.657 0.000 -2.164) 2.725 8.436 ( -2.738 0.000 1.045) 2.931 8.508 ( -5.182 0.000 1.799) 5.485 8.559 ( -1.325 0.000 -0.744) 1.520 8.594 ( -7.297 0.000 -2.138) 7.603 8.728 ( 2.383 0.000 -6.019) 6.474 8.772 ( -1.953 0.000 -7.943) 8.180 8.910 ( 0.211 0.000 0.196) 0.288 8.932 ( -4.768 0.000 -1.759) 5.082 8.940 ( -1.370 0.000 -4.796) 4.988 8.993 ( -5.770 0.000 -0.932) 5.845 9.108 ( -4.462 0.000 -3.034) 5.396 9.378 ( 3.109 0.000 -7.335) 7.966 9.398 ( -1.411 0.000 -1.342) 1.947 9.468 ( -0.051 0.000 -4.507) 4.507 9.537 ( -3.616 0.000 -1.802) 4.040 9.678 ( -3.905 0.000 -6.115) 7.256 9.747 ( -4.694 0.000 0.096) 4.695 9.849 ( -1.587 0.000 -6.025) 6.231 9.891 ( -3.611 0.000 0.646) 3.668 10.043 ( -4.293 0.000 3.855) 5.770 10.069 ( -12.197 0.000 -0.257) 12.200 10.143 ( -7.921 0.000 -4.290) 9.008 10.223 ( -1.238 0.000 -0.361) 1.289 10.295 ( -3.450 0.000 5.603) 6.580 10.428 ( -7.397 0.000 3.892) 8.359 10.508 ( -6.126 0.000 0.089) 6.127 11.476 ( -8.410 0.000 -0.135) 8.411 11.573 ( -3.551 0.000 1.414) 3.823 11.661 ( -2.462 0.000 -0.012) 2.462 11.675 ( -8.687 0.000 1.636) 8.840 11.792 ( -1.993 0.000 0.352) 2.024 12.170 ( -0.902 0.000 1.237) 1.531 12.203 ( -2.459 0.000 -5.616) 6.131 12.385 ( 1.739 0.000 -2.080) 2.711 12.515 ( -2.526 0.000 2.152) 3.319 12.523 ( 4.975 0.000 -0.629) 5.014 12.691 ( 1.710 0.000 -6.743) 6.957 12.706 ( -0.786 0.000 -1.415) 1.618 12.989 ( 7.167 0.000 -0.896) 7.223 13.019 ( 0.307 0.000 0.227) 0.382 13.067 ( 0.612 0.000 -0.086) 0.618 13.276 ( -0.511 0.000 -1.858) 1.927 13.455 ( 2.548 0.000 -4.472) 5.147 13.512 ( 4.674 0.000 -4.727) 6.648 14.529 ( 3.882 0.000 -3.527) 5.245 14.611 ( 2.002 0.000 -4.528) 4.951 15.369 ( 2.675 0.000 -3.934) 4.757 15.477 ( 4.059 0.000 -3.648) 5.457 15.998 ( 0.531 0.000 -1.598) 1.684 16.013 ( -0.832 0.000 -3.703) 3.795 20.523 ( 0.465 0.000 -0.282) 0.544 20.573 ( 0.295 0.000 -0.319) 0.434 20.605 ( 0.140 0.000 -0.540) 0.558 20.649 ( -0.595 0.000 -1.097) 1.248 21.668 ( 4.217 0.000 -0.818) 4.295 21.685 ( 3.816 0.000 0.041) 3.816 21.749 ( 3.320 0.000 -0.392) 3.343 21.796 ( 2.485 0.000 -0.092) 2.487 21.855 ( 3.995 0.000 0.010) 3.995 21.883 ( 3.822 0.000 -1.056) 3.965 22.339 ( 2.194 0.000 1.973) 2.950 22.396 ( 3.589 0.000 1.148) 3.768 22.411 ( 1.267 0.000 3.414) 3.641 22.464 ( 1.999 0.000 2.115) 2.910 22.933 ( 6.776 0.000 1.462) 6.932 22.961 ( 6.931 0.000 0.186) 6.933 23.108 ( 1.413 0.000 3.175) 3.475 23.134 ( 1.091 0.000 3.865) 4.016 23.548 ( -2.322 0.000 5.435) 5.910 23.678 ( -7.000 0.000 3.422) 7.792 24.056 ( -1.808 0.000 -2.521) 3.102 24.276 ( -5.700 0.000 -6.101) 8.349 24.751 ( -2.056 0.000 -2.974) 3.615 24.825 ( -4.799 0.000 -6.203) 7.843 25.479 ( 0.089 0.000 -5.562) 5.563 25.502 ( 1.702 0.000 -5.482) 5.740 ======================= Grid point 37 (17/104) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -13.411 0.000 7.862) 15.546 2.132 ( 5.881 0.000 -1.788) 6.147 2.373 ( 8.328 0.000 -10.268) 13.220 2.394 ( -1.217 0.000 -4.173) 4.347 2.418 ( 2.772 0.000 -4.103) 4.951 2.459 ( 6.646 0.000 -8.890) 11.100 2.531 ( 0.522 0.000 2.032) 2.097 2.546 ( 5.272 0.000 -4.294) 6.800 2.572 ( 4.613 0.000 -9.362) 10.437 2.739 ( 0.932 0.000 -8.910) 8.958 2.752 ( 2.237 0.000 -4.301) 4.847 2.843 ( -1.110 0.000 -3.530) 3.700 2.957 ( -0.080 0.000 -10.314) 10.314 3.006 ( 2.646 0.000 7.826) 8.261 3.045 ( -0.531 0.000 0.506) 0.733 3.072 ( 6.944 0.000 3.139) 7.620 3.190 ( 5.906 0.000 3.466) 6.848 3.322 ( 5.047 0.000 2.127) 5.477 3.338 ( -2.618 0.000 -1.859) 3.211 3.440 ( 0.387 0.000 2.408) 2.439 3.502 ( 8.987 0.000 -2.412) 9.305 3.551 ( 14.512 0.000 7.355) 16.270 3.612 ( 1.981 0.000 4.302) 4.736 3.633 ( 11.845 0.000 1.963) 12.007 3.636 ( 2.499 0.000 10.596) 10.887 3.726 ( -6.539 0.000 -1.006) 6.616 3.791 ( 7.131 0.000 4.936) 8.672 3.813 ( 7.912 0.000 10.793) 13.383 3.902 ( -0.151 0.000 7.320) 7.321 3.954 ( 7.327 0.000 2.627) 7.784 4.060 ( 3.723 0.000 5.572) 6.702 4.094 ( 10.267 0.000 2.930) 10.676 4.182 ( 1.300 0.000 1.670) 2.116 4.227 ( 0.752 0.000 11.826) 11.850 4.268 ( -4.851 0.000 5.536) 7.360 4.272 ( 9.687 0.000 -2.569) 10.022 4.320 ( 6.509 0.000 3.904) 7.590 4.392 ( 5.839 0.000 7.229) 9.293 4.512 ( -5.401 0.000 5.791) 7.919 4.529 ( -1.574 0.000 0.163) 1.582 4.552 ( 0.805 0.000 0.666) 1.045 4.677 ( -1.324 0.000 -0.762) 1.528 4.710 ( 3.313 0.000 -0.278) 3.325 4.786 ( 1.840 0.000 -0.213) 1.852 4.800 ( 6.273 0.000 -0.328) 6.282 4.860 ( 2.358 0.000 -3.786) 4.461 4.933 ( 3.900 0.000 0.309) 3.912 4.944 ( 2.644 0.000 3.274) 4.208 5.002 ( -0.753 0.000 1.246) 1.456 5.009 ( -1.886 0.000 2.424) 3.071 5.082 ( -4.852 0.000 2.913) 5.659 5.092 ( -5.548 0.000 -4.410) 7.087 5.106 ( -2.490 0.000 -0.605) 2.562 5.131 ( -2.194 0.000 -5.531) 5.950 5.251 ( 0.090 0.000 -4.827) 4.828 5.278 ( 2.257 0.000 0.585) 2.332 5.353 ( -0.051 0.000 -1.620) 1.621 5.411 ( -4.530 0.000 2.278) 5.071 5.499 ( 6.809 0.000 -1.932) 7.078 5.542 ( 0.689 0.000 1.309) 1.479 5.560 ( -16.989 0.000 -3.693) 17.385 5.585 ( 4.353 0.000 -4.530) 6.282 5.603 ( -2.528 0.000 -0.754) 2.638 5.630 ( 1.453 0.000 1.578) 2.145 5.702 ( -0.498 0.000 -2.825) 2.869 5.730 ( 8.819 0.000 -3.248) 9.398 5.844 ( -4.614 0.000 -4.197) 6.237 5.896 ( -0.720 0.000 7.888) 7.921 5.960 ( 1.282 0.000 -4.260) 4.448 6.032 ( -0.346 0.000 -1.264) 1.310 6.120 ( 6.176 0.000 -4.568) 7.682 6.168 ( -2.508 0.000 3.329) 4.168 6.185 ( -4.904 0.000 -1.551) 5.143 6.350 ( -0.401 0.000 2.391) 2.424 6.457 ( 9.560 0.000 -7.855) 12.373 6.525 ( 16.850 0.000 -6.660) 18.118 6.543 ( 4.874 0.000 2.791) 5.616 6.573 ( 0.487 0.000 -3.847) 3.878 6.689 ( 7.282 0.000 -1.669) 7.471 6.714 ( 7.593 0.000 0.167) 7.594 6.730 ( 10.081 0.000 5.877) 11.669 6.776 ( 2.669 0.000 4.425) 5.168 6.820 ( 2.209 0.000 -6.599) 6.959 6.893 ( 2.556 0.000 -5.663) 6.213 7.026 ( 2.310 0.000 5.783) 6.228 7.041 ( 1.985 0.000 -4.248) 4.689 7.090 ( -5.207 0.000 2.865) 5.943 7.138 ( 3.971 0.000 4.737) 6.181 7.191 ( 1.195 0.000 -1.663) 2.048 7.321 ( 6.867 0.000 -0.724) 6.905 7.358 ( -6.683 0.000 5.179) 8.455 7.359 ( 0.541 0.000 -0.970) 1.111 7.371 ( -5.609 0.000 -5.451) 7.822 7.433 ( -6.811 0.000 1.018) 6.887 7.480 ( 0.646 0.000 4.490) 4.536 7.491 ( 6.048 0.000 6.463) 8.852 7.581 ( -7.127 0.000 1.728) 7.334 7.594 ( 2.896 0.000 2.475) 3.810 7.713 ( 0.131 0.000 4.473) 4.475 7.721 ( 0.155 0.000 6.883) 6.885 7.765 ( -13.382 0.000 1.431) 13.458 7.859 ( -1.642 0.000 -6.566) 6.768 7.871 ( -4.778 0.000 -6.458) 8.033 7.930 ( -1.699 0.000 -1.220) 2.092 8.024 ( -5.222 0.000 -5.286) 7.430 8.093 ( -3.922 0.000 3.185) 5.052 8.143 ( -2.602 0.000 7.329) 7.778 8.233 ( -0.727 0.000 -0.632) 0.963 8.265 ( -3.292 0.000 -3.243) 4.621 8.351 ( -7.503 0.000 0.370) 7.512 8.369 ( -0.839 0.000 -2.955) 3.071 8.472 ( -1.069 0.000 3.088) 3.268 8.489 ( 2.540 0.000 -1.282) 2.845 8.602 ( 1.851 0.000 0.501) 1.918 8.708 ( 1.348 0.000 -6.927) 7.056 8.732 ( 3.174 0.000 -2.373) 3.963 8.800 ( -5.460 0.000 -2.472) 5.994 8.843 ( -6.370 0.000 -2.169) 6.729 8.864 ( -2.726 0.000 2.184) 3.494 8.957 ( 1.838 0.000 0.375) 1.876 9.106 ( 3.678 0.000 2.183) 4.278 9.313 ( 0.503 0.000 -9.286) 9.300 9.357 ( -2.055 0.000 0.241) 2.069 9.411 ( -1.057 0.000 -3.454) 3.612 9.491 ( -0.965 0.000 2.028) 2.246 9.590 ( -1.195 0.000 -3.358) 3.564 9.683 ( -3.220 0.000 -1.823) 3.700 9.774 ( -0.651 0.000 -2.174) 2.269 9.828 ( -1.500 0.000 -2.991) 3.346 9.924 ( -5.048 0.000 0.049) 5.048 9.994 ( -5.061 0.000 2.014) 5.447 10.004 ( -3.352 0.000 -2.584) 4.232 10.190 ( -1.272 0.000 -1.628) 2.066 10.295 ( -1.958 0.000 3.705) 4.191 10.359 ( -5.214 0.000 2.523) 5.793 10.433 ( -3.502 0.000 -0.138) 3.505 11.377 ( -3.927 0.000 1.455) 4.188 11.522 ( -3.537 0.000 1.384) 3.798 11.600 ( -3.859 0.000 3.730) 5.367 11.632 ( -1.507 0.000 1.300) 1.990 11.770 ( -0.880 0.000 -0.749) 1.155 12.125 ( -1.064 0.000 -3.415) 3.577 12.175 ( -0.369 0.000 1.941) 1.976 12.407 ( 1.837 0.000 -0.385) 1.877 12.502 ( -1.310 0.000 1.213) 1.785 12.596 ( 3.602 0.000 0.432) 3.628 12.681 ( -1.004 0.000 -0.432) 1.093 12.682 ( 2.432 0.000 -2.650) 3.597 13.022 ( 0.383 0.000 -0.371) 0.533 13.087 ( 0.219 0.000 2.080) 2.091 13.100 ( 5.048 0.000 1.810) 5.362 13.247 ( -0.827 0.000 -1.042) 1.330 13.462 ( 2.597 0.000 -2.924) 3.911 13.547 ( 3.838 0.000 -2.693) 4.688 14.567 ( 3.199 0.000 -1.126) 3.391 14.622 ( 2.654 0.000 -1.717) 3.161 15.387 ( 2.443 0.000 -1.364) 2.798 15.513 ( 3.321 0.000 -1.788) 3.772 15.978 ( 0.185 0.000 -1.835) 1.845 15.997 ( 0.655 0.000 -0.672) 0.938 20.535 ( 0.489 0.000 0.996) 1.109 20.582 ( 0.460 0.000 0.689) 0.829 20.612 ( 0.398 0.000 0.859) 0.947 20.640 ( 0.028 0.000 0.267) 0.268 21.721 ( 2.671 0.000 -0.232) 2.681 21.741 ( 2.433 0.000 0.516) 2.487 21.799 ( 2.531 0.000 0.197) 2.539 21.834 ( 1.320 0.000 1.071) 1.700 21.911 ( 2.079 0.000 1.147) 2.374 21.938 ( 2.671 0.000 0.847) 2.802 22.375 ( 0.613 0.000 0.490) 0.785 22.437 ( -0.322 0.000 0.196) 0.377 22.453 ( 1.890 0.000 1.190) 2.233 22.501 ( 0.665 0.000 0.952) 1.161 23.016 ( 3.827 0.000 -2.918) 4.812 23.035 ( 3.692 0.000 -3.339) 4.978 23.135 ( -0.197 0.000 0.237) 0.308 23.157 ( -0.873 0.000 0.500) 1.006 23.536 ( -2.283 0.000 -0.305) 2.304 23.598 ( -4.171 0.000 -1.309) 4.372 24.017 ( -0.361 0.000 -1.598) 1.638 24.174 ( -1.510 0.000 -2.800) 3.181 24.712 ( -0.267 0.000 -1.323) 1.350 24.728 ( -1.348 0.000 -2.773) 3.083 25.447 ( 1.078 0.000 -2.407) 2.637 25.493 ( 1.826 0.000 -2.170) 2.836 ======================= Grid point 38 (18/104) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 2.847 0.000 19.323) 19.532 2.119 ( -0.642 0.000 -8.236) 8.261 2.369 ( 3.021 0.000 -2.290) 3.791 2.378 ( 4.015 0.000 -9.050) 9.900 2.477 ( 1.685 0.000 -10.500) 10.635 2.482 ( 8.675 0.000 -3.821) 9.479 2.523 ( 2.222 0.000 -3.196) 3.893 2.589 ( -4.283 0.000 -3.410) 5.474 2.603 ( 5.481 0.000 -3.953) 6.758 2.645 ( 6.671 0.000 -4.207) 7.887 2.647 ( -2.291 0.000 -19.337) 19.472 2.740 ( -9.816 0.000 -4.165) 10.662 2.808 ( -6.530 0.000 -2.400) 6.957 2.976 ( -3.814 0.000 -4.578) 5.958 3.038 ( -7.178 0.000 -5.182) 8.854 3.087 ( -0.595 0.000 0.830) 1.021 3.221 ( -3.633 0.000 -1.484) 3.925 3.302 ( -1.002 0.000 2.910) 3.078 3.366 ( -3.503 0.000 -0.107) 3.504 3.417 ( -2.104 0.000 0.271) 2.121 3.558 ( 1.867 0.000 0.451) 1.921 3.654 ( -2.147 0.000 -0.337) 2.173 3.692 ( 0.182 0.000 5.928) 5.931 3.708 ( 1.175 0.000 0.668) 1.352 3.770 ( 2.523 0.000 7.459) 7.874 3.833 ( 4.640 0.000 9.187) 10.293 3.904 ( -10.573 0.000 7.265) 12.828 3.981 ( 8.213 0.000 0.829) 8.254 3.983 ( -6.356 0.000 10.317) 12.118 4.008 ( 5.190 0.000 -2.254) 5.659 4.066 ( -7.431 0.000 -1.770) 7.639 4.139 ( -7.188 0.000 -2.046) 7.474 4.139 ( -12.922 0.000 10.420) 16.600 4.188 ( -8.701 0.000 3.313) 9.310 4.280 ( -0.542 0.000 1.236) 1.350 4.311 ( -5.656 0.000 1.295) 5.802 4.443 ( -1.755 0.000 -1.870) 2.565 4.455 ( 1.273 0.000 -1.908) 2.294 4.488 ( 0.074 0.000 2.163) 2.165 4.501 ( -4.243 0.000 2.627) 4.991 4.554 ( -0.371 0.000 3.561) 3.580 4.673 ( 3.055 0.000 -1.254) 3.302 4.681 ( -7.916 0.000 0.152) 7.917 4.817 ( 3.631 0.000 4.662) 5.909 4.875 ( 3.264 0.000 -3.427) 4.733 4.889 ( 1.426 0.000 -3.086) 3.399 4.917 ( -4.686 0.000 -3.056) 5.595 4.946 ( 4.523 0.000 2.172) 5.017 4.978 ( -4.102 0.000 1.059) 4.237 5.003 ( -4.823 0.000 4.213) 6.404 5.041 ( 1.476 0.000 2.820) 3.184 5.116 ( 2.321 0.000 -4.692) 5.234 5.127 ( 0.612 0.000 4.460) 4.502 5.128 ( 9.976 0.000 5.367) 11.328 5.207 ( 2.182 0.000 -2.140) 3.056 5.327 ( 1.073 0.000 1.445) 1.800 5.375 ( 2.350 0.000 3.432) 4.159 5.416 ( 0.347 0.000 3.351) 3.369 5.481 ( 1.113 0.000 -2.782) 2.996 5.503 ( 6.404 0.000 5.827) 8.658 5.545 ( -3.012 0.000 0.642) 3.080 5.615 ( -3.171 0.000 -4.577) 5.568 5.657 ( 6.083 0.000 5.325) 8.084 5.692 ( -0.068 0.000 1.525) 1.526 5.761 ( 5.256 0.000 -2.557) 5.845 5.799 ( -5.221 0.000 3.862) 6.495 5.810 ( 8.566 0.000 0.403) 8.575 5.918 ( 2.526 0.000 3.228) 4.099 5.977 ( 4.302 0.000 -0.716) 4.361 6.025 ( 3.114 0.000 -0.699) 3.192 6.093 ( -6.199 0.000 3.011) 6.891 6.133 ( 0.797 0.000 -1.438) 1.644 6.197 ( 10.255 0.000 -7.079) 12.461 6.342 ( -3.779 0.000 -0.417) 3.802 6.462 ( -7.704 0.000 1.212) 7.798 6.538 ( 6.439 0.000 -9.488) 11.467 6.599 ( 2.365 0.000 -4.050) 4.690 6.639 ( 1.830 0.000 2.130) 2.808 6.653 ( -0.952 0.000 -6.506) 6.575 6.730 ( 3.270 0.000 -2.558) 4.152 6.768 ( -1.350 0.000 -1.694) 2.166 6.793 ( -3.295 0.000 -6.900) 7.646 6.924 ( -5.005 0.000 -6.961) 8.573 6.946 ( 2.811 0.000 -6.006) 6.631 6.951 ( -1.222 0.000 1.367) 1.834 7.037 ( -1.308 0.000 -4.939) 5.109 7.047 ( -4.680 0.000 1.805) 5.016 7.209 ( -8.899 0.000 -3.167) 9.446 7.218 ( -3.149 0.000 -0.051) 3.150 7.241 ( 0.800 0.000 1.848) 2.014 7.265 ( -2.734 0.000 -2.426) 3.655 7.323 ( -5.029 0.000 -0.321) 5.039 7.357 ( -2.559 0.000 -0.675) 2.647 7.414 ( 2.852 0.000 2.571) 3.840 7.435 ( 1.780 0.000 -1.827) 2.551 7.555 ( -6.143 0.000 -0.873) 6.204 7.561 ( -0.353 0.000 5.223) 5.235 7.595 ( -1.557 0.000 2.913) 3.303 7.668 ( -2.385 0.000 6.072) 6.524 7.733 ( 5.580 0.000 3.823) 6.763 7.791 ( -0.220 0.000 6.062) 6.066 7.900 ( 6.177 0.000 1.305) 6.313 7.917 ( 5.848 0.000 4.933) 7.651 7.933 ( -0.927 0.000 0.315) 0.979 7.990 ( 6.882 0.000 3.176) 7.579 8.013 ( -5.108 0.000 -1.003) 5.205 8.156 ( -0.504 0.000 7.140) 7.158 8.217 ( 1.494 0.000 -0.408) 1.549 8.270 ( -2.706 0.000 -6.327) 6.881 8.280 ( 1.021 0.000 0.805) 1.300 8.287 ( 2.122 0.000 0.049) 2.123 8.437 ( -5.771 0.000 -2.972) 6.491 8.468 ( -1.691 0.000 -2.819) 3.287 8.669 ( 0.822 0.000 2.897) 3.011 8.680 ( 2.388 0.000 -3.731) 4.430 8.767 ( 4.275 0.000 -0.464) 4.301 8.776 ( 3.218 0.000 0.670) 3.287 8.836 ( 3.627 0.000 2.639) 4.485 8.894 ( 3.053 0.000 5.930) 6.670 9.030 ( 3.741 0.000 4.413) 5.785 9.201 ( 2.080 0.000 4.784) 5.217 9.293 ( 5.209 0.000 -4.645) 6.980 9.319 ( 1.110 0.000 -4.997) 5.119 9.444 ( 4.343 0.000 5.003) 6.625 9.538 ( 1.256 0.000 0.618) 1.400 9.584 ( 5.336 0.000 1.057) 5.440 9.633 ( 0.605 0.000 -2.005) 2.095 9.794 ( 1.046 0.000 -3.565) 3.716 9.799 ( 3.424 0.000 1.503) 3.739 9.866 ( -0.798 0.000 -1.381) 1.595 9.921 ( -3.235 0.000 -1.684) 3.647 9.997 ( 3.022 0.000 0.441) 3.054 10.152 ( -1.453 0.000 -1.472) 2.068 10.295 ( -1.441 0.000 1.914) 2.396 10.298 ( -3.241 0.000 -0.219) 3.248 10.386 ( -0.574 0.000 -1.790) 1.879 11.364 ( -0.084 0.000 2.395) 2.397 11.496 ( -0.895 0.000 0.906) 1.273 11.593 ( -1.599 0.000 4.102) 4.402 11.635 ( -0.507 0.000 1.905) 1.971 11.750 ( -0.264 0.000 -1.003) 1.037 12.121 ( 3.712 0.000 -1.119) 3.877 12.190 ( -0.724 0.000 2.768) 2.861 12.428 ( 0.216 0.000 0.831) 0.859 12.492 ( -0.883 0.000 0.743) 1.154 12.633 ( -0.727 0.000 0.958) 1.203 12.682 ( 1.723 0.000 0.961) 1.973 12.721 ( 3.486 0.000 0.439) 3.514 13.031 ( 0.342 0.000 1.093) 1.145 13.110 ( -0.448 0.000 3.145) 3.177 13.162 ( -1.025 0.000 3.173) 3.334 13.259 ( 2.675 0.000 1.311) 2.979 13.485 ( 2.239 0.000 -1.039) 2.468 13.589 ( 2.646 0.000 -0.309) 2.664 14.611 ( 1.984 0.000 0.967) 2.207 14.663 ( 2.592 0.000 0.907) 2.746 15.423 ( 2.091 0.000 0.849) 2.257 15.552 ( 2.099 0.000 0.030) 2.099 15.991 ( 2.277 0.000 0.231) 2.289 16.006 ( 0.768 0.000 0.022) 0.768 20.558 ( 0.303 0.000 2.317) 2.337 20.599 ( 0.232 0.000 1.548) 1.566 20.632 ( 0.265 0.000 2.057) 2.074 20.655 ( 0.684 0.000 1.505) 1.653 21.752 ( 0.785 0.000 0.487) 0.924 21.775 ( 0.483 0.000 1.313) 1.399 21.832 ( 0.682 0.000 0.767) 1.026 21.859 ( 0.024 0.000 2.217) 2.217 21.949 ( 0.287 0.000 2.581) 2.596 21.983 ( 0.723 0.000 2.653) 2.750 22.363 ( -1.507 0.000 -1.647) 2.233 22.405 ( -1.932 0.000 -2.729) 3.344 22.480 ( -0.311 0.000 1.540) 1.571 22.509 ( -0.579 0.000 0.765) 0.960 22.999 ( -0.149 0.000 -7.313) 7.315 23.028 ( 0.841 0.000 -5.908) 5.968 23.105 ( -1.913 0.000 -2.635) 3.256 23.115 ( -2.791 0.000 -2.609) 3.821 23.461 ( -3.443 0.000 -5.465) 6.459 23.499 ( -3.447 0.000 -6.432) 7.298 24.016 ( 1.459 0.000 -0.515) 1.547 24.167 ( 2.587 0.000 -0.699) 2.680 24.714 ( 1.395 0.000 -0.155) 1.403 24.733 ( 3.382 0.000 0.269) 3.392 25.477 ( 3.393 0.000 0.749) 3.474 25.527 ( 3.152 0.000 0.658) 3.219 ======================= Grid point 39 (19/104) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 8.212 0.000 18.330) 20.085 1.927 ( -12.256 0.000 -13.460) 18.204 2.187 ( -19.646 0.000 -17.988) 26.637 2.285 ( -6.778 0.000 -26.706) 27.552 2.294 ( -10.413 0.000 -14.972) 18.237 2.345 ( -3.046 0.000 -9.998) 10.451 2.480 ( -2.620 0.000 2.331) 3.507 2.557 ( 4.050 0.000 -4.710) 6.212 2.590 ( -1.923 0.000 -3.248) 3.775 2.627 ( 5.097 0.000 2.968) 5.898 2.639 ( 6.258 0.000 1.104) 6.354 2.740 ( -0.625 0.000 1.437) 1.567 2.772 ( 2.272 0.000 1.323) 2.629 2.849 ( -5.547 0.000 -5.605) 7.886 2.851 ( -1.191 0.000 -6.247) 6.360 3.014 ( -13.289 0.000 -6.557) 14.818 3.105 ( 1.998 0.000 1.528) 2.515 3.264 ( -7.331 0.000 3.931) 8.319 3.312 ( -0.939 0.000 -0.874) 1.282 3.376 ( -4.701 0.000 -0.452) 4.723 3.536 ( -13.171 0.000 2.996) 13.508 3.621 ( 2.772 0.000 1.732) 3.269 3.690 ( -12.785 0.000 5.911) 14.085 3.698 ( -8.524 0.000 -1.679) 8.688 3.714 ( -8.092 0.000 3.023) 8.639 3.747 ( -19.685 0.000 3.667) 20.023 3.798 ( -16.521 0.000 -1.774) 16.616 3.823 ( -5.447 0.000 4.846) 7.291 3.843 ( -6.794 0.000 -0.852) 6.847 3.995 ( -11.416 0.000 5.183) 12.537 4.031 ( -4.493 0.000 -1.204) 4.652 4.076 ( -13.461 0.000 9.147) 16.274 4.088 ( -3.115 0.000 4.096) 5.146 4.121 ( 5.642 0.000 -0.331) 5.651 4.189 ( -5.392 0.000 2.373) 5.891 4.220 ( -2.645 0.000 0.152) 2.650 4.318 ( -12.751 0.000 -0.648) 12.767 4.366 ( -4.475 0.000 -4.531) 6.368 4.515 ( -8.639 0.000 -0.364) 8.646 4.532 ( -5.317 0.000 -0.961) 5.403 4.542 ( -3.582 0.000 0.353) 3.599 4.581 ( 3.960 0.000 4.101) 5.701 4.602 ( -2.424 0.000 -4.275) 4.914 4.793 ( -2.879 0.000 -5.964) 6.622 4.808 ( 1.363 0.000 -4.167) 4.384 4.841 ( -8.539 0.000 0.499) 8.553 4.906 ( -4.419 0.000 2.323) 4.992 4.921 ( -10.358 0.000 -0.907) 10.397 4.953 ( -1.569 0.000 2.934) 3.327 4.964 ( 3.221 0.000 0.236) 3.230 5.097 ( 5.042 0.000 -10.649) 11.783 5.107 ( 1.102 0.000 0.590) 1.250 5.214 ( 3.363 0.000 3.414) 4.792 5.257 ( 0.899 0.000 -0.551) 1.055 5.291 ( -6.219 0.000 3.599) 7.186 5.386 ( 10.360 0.000 2.322) 10.617 5.415 ( -5.943 0.000 -5.497) 8.095 5.461 ( -4.512 0.000 -3.398) 5.649 5.473 ( 0.358 0.000 7.069) 7.079 5.502 ( 2.029 0.000 -0.873) 2.209 5.569 ( 9.738 0.000 6.741) 11.844 5.609 ( -1.396 0.000 5.368) 5.546 5.713 ( 9.143 0.000 3.255) 9.706 5.764 ( -2.091 0.000 3.805) 4.342 5.810 ( 1.353 0.000 0.102) 1.357 5.914 ( 1.249 0.000 8.398) 8.490 5.932 ( -3.782 0.000 0.616) 3.832 6.019 ( 6.756 0.000 10.704) 12.658 6.040 ( 8.693 0.000 5.769) 10.433 6.144 ( 3.590 0.000 3.610) 5.092 6.212 ( 8.211 0.000 0.913) 8.262 6.219 ( 12.766 0.000 6.529) 14.338 6.264 ( -1.905 0.000 -0.301) 1.928 6.271 ( 0.576 0.000 -1.228) 1.357 6.396 ( 1.631 0.000 -2.093) 2.653 6.505 ( -5.630 0.000 -4.895) 7.460 6.571 ( 5.393 0.000 -3.826) 6.612 6.592 ( 0.525 0.000 0.681) 0.860 6.678 ( -4.383 0.000 3.844) 5.830 6.685 ( -5.359 0.000 -3.908) 6.633 6.722 ( -0.516 0.000 -3.615) 3.651 6.750 ( -8.116 0.000 -4.957) 9.510 6.764 ( 1.846 0.000 -0.449) 1.900 6.819 ( -12.821 0.000 1.329) 12.890 6.851 ( -4.279 0.000 -10.271) 11.126 6.911 ( -5.754 0.000 1.818) 6.034 6.920 ( -1.497 0.000 -7.113) 7.269 6.992 ( -4.072 0.000 0.856) 4.161 7.082 ( -9.106 0.000 1.975) 9.318 7.195 ( 0.495 0.000 -0.538) 0.731 7.206 ( -3.491 0.000 -4.122) 5.402 7.342 ( -1.238 0.000 -0.010) 1.238 7.359 ( -2.331 0.000 -2.500) 3.418 7.385 ( -2.777 0.000 -3.020) 4.103 7.465 ( 7.953 0.000 0.184) 7.955 7.494 ( -0.361 0.000 5.855) 5.866 7.608 ( -0.020 0.000 -0.409) 0.410 7.633 ( 3.180 0.000 4.185) 5.256 7.703 ( -2.834 0.000 2.214) 3.596 7.876 ( -4.199 0.000 0.025) 4.199 7.917 ( 6.285 0.000 -0.170) 6.287 7.940 ( 12.923 0.000 1.172) 12.976 7.974 ( -2.023 0.000 3.676) 4.195 8.013 ( 3.985 0.000 0.469) 4.013 8.109 ( 1.498 0.000 0.954) 1.776 8.114 ( 10.116 0.000 7.216) 12.426 8.185 ( 0.981 0.000 0.406) 1.062 8.246 ( 3.573 0.000 -1.565) 3.900 8.292 ( 8.052 0.000 4.068) 9.021 8.314 ( 2.173 0.000 -0.439) 2.217 8.348 ( 5.344 0.000 0.111) 5.345 8.381 ( 3.696 0.000 -3.036) 4.783 8.468 ( 1.782 0.000 1.767) 2.510 8.611 ( -5.107 0.000 -0.425) 5.125 8.698 ( 3.045 0.000 -3.110) 4.353 8.840 ( 2.116 0.000 1.848) 2.809 8.852 ( 4.420 0.000 -0.651) 4.468 8.925 ( 2.968 0.000 1.465) 3.310 9.070 ( 4.771 0.000 9.185) 10.351 9.146 ( 3.004 0.000 5.825) 6.554 9.241 ( 0.668 0.000 1.295) 1.457 9.329 ( 2.910 0.000 -2.384) 3.762 9.348 ( 5.812 0.000 -6.773) 8.924 9.574 ( 2.988 0.000 2.838) 4.121 9.582 ( 4.915 0.000 3.068) 5.794 9.675 ( 3.544 0.000 -6.739) 7.614 9.678 ( 4.936 0.000 2.084) 5.358 9.845 ( 4.396 0.000 5.224) 6.828 9.851 ( 3.538 0.000 -2.471) 4.315 9.885 ( 3.818 0.000 -2.580) 4.608 9.948 ( 8.972 0.000 3.598) 9.667 10.097 ( 7.702 0.000 1.076) 7.777 10.119 ( 0.075 0.000 -2.757) 2.758 10.255 ( 0.141 0.000 -2.495) 2.499 10.263 ( -3.772 0.000 -0.098) 3.773 10.406 ( 5.444 0.000 -1.182) 5.571 11.421 ( 4.310 0.000 2.349) 4.909 11.511 ( 2.170 0.000 0.574) 2.245 11.619 ( 1.514 0.000 1.044) 1.839 11.633 ( -0.596 0.000 -0.424) 0.732 11.750 ( 0.131 0.000 1.849) 1.854 12.199 ( -1.524 0.000 3.022) 3.384 12.235 ( 9.272 0.000 1.326) 9.366 12.433 ( -1.021 0.000 2.195) 2.421 12.485 ( -1.100 0.000 1.200) 1.628 12.616 ( -2.546 0.000 2.288) 3.423 12.734 ( 2.313 0.000 1.761) 2.907 12.809 ( 5.471 0.000 2.421) 5.983 13.051 ( -0.838 0.000 3.824) 3.915 13.134 ( -0.745 0.000 4.225) 4.290 13.163 ( -2.930 0.000 5.508) 6.239 13.323 ( 1.761 0.000 2.431) 3.002 13.509 ( 0.890 0.000 -0.095) 0.895 13.621 ( 0.477 0.000 0.953) 1.066 14.650 ( 0.735 0.000 2.374) 2.485 14.721 ( 2.179 0.000 2.583) 3.379 15.471 ( 1.699 0.000 2.233) 2.806 15.580 ( 0.547 0.000 1.136) 1.261 16.023 ( 0.948 0.000 0.355) 1.012 16.053 ( 3.748 0.000 1.576) 4.066 20.585 ( -0.301 0.000 3.062) 3.077 20.621 ( 0.212 0.000 2.376) 2.385 20.659 ( 0.117 0.000 2.799) 2.801 20.692 ( 1.488 0.000 2.634) 3.025 21.752 ( -1.643 0.000 0.832) 1.841 21.779 ( -1.947 0.000 1.977) 2.775 21.830 ( -1.969 0.000 1.396) 2.413 21.889 ( 0.218 0.000 3.674) 3.680 21.970 ( -1.637 0.000 4.166) 4.476 22.015 ( -0.915 0.000 4.482) 4.575 22.297 ( -3.124 0.000 -3.622) 4.783 22.324 ( -3.243 0.000 -4.673) 5.688 22.464 ( -3.301 0.000 0.939) 3.432 22.494 ( -2.433 0.000 0.926) 2.603 22.875 ( -4.529 0.000 -10.328) 11.277 22.952 ( -2.154 0.000 -7.062) 7.384 23.026 ( -3.161 0.000 -4.591) 5.574 23.027 ( -3.140 0.000 -4.443) 5.441 23.318 ( -4.960 0.000 -9.361) 10.594 23.357 ( -3.179 0.000 -11.766) 12.188 24.053 ( 2.995 0.000 0.305) 3.010 24.248 ( 7.424 0.000 0.306) 7.430 24.755 ( 3.243 0.000 0.455) 3.274 24.841 ( 7.893 0.000 2.068) 8.159 25.567 ( 4.987 0.000 2.598) 5.623 25.608 ( 4.540 0.000 2.414) 5.142 ======================= Grid point 40 (20/104) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -35.301 0.000 -9.801) 36.636 1.455 ( -5.906 0.000 8.705) 10.520 1.538 ( -28.657 0.000 -21.095) 35.583 1.855 ( -12.349 0.000 -23.329) 26.396 1.963 ( -11.911 0.000 -12.405) 17.198 2.111 ( -15.297 0.000 -8.834) 17.665 2.460 ( -3.831 0.000 -7.631) 8.539 2.498 ( -3.177 0.000 3.195) 4.506 2.548 ( -18.859 0.000 -1.416) 18.912 2.579 ( 0.576 0.000 -2.671) 2.732 2.613 ( 0.147 0.000 -5.232) 5.234 2.819 ( -0.245 0.000 3.174) 3.183 2.827 ( 7.632 0.000 5.565) 9.446 2.830 ( 5.327 0.000 1.879) 5.649 2.904 ( 7.913 0.000 -4.199) 8.958 2.917 ( 4.255 0.000 0.904) 4.350 3.042 ( -15.893 0.000 -1.257) 15.942 3.180 ( -20.529 0.000 -9.694) 22.703 3.198 ( -25.974 0.000 -1.904) 26.044 3.229 ( -3.476 0.000 -3.376) 4.846 3.254 ( -14.114 0.000 4.073) 14.690 3.297 ( -19.396 0.000 3.568) 19.722 3.405 ( -19.586 0.000 -6.365) 20.595 3.523 ( -3.648 0.000 2.632) 4.499 3.580 ( -9.105 0.000 -1.384) 9.209 3.583 ( -5.371 0.000 5.024) 7.354 3.658 ( -1.421 0.000 1.458) 2.036 3.690 ( -9.946 0.000 0.471) 9.957 3.739 ( -11.274 0.000 7.891) 13.761 3.871 ( -13.484 0.000 4.617) 14.253 3.902 ( -11.254 0.000 6.017) 12.761 3.988 ( -3.582 0.000 -0.493) 3.616 4.017 ( -3.557 0.000 -2.951) 4.622 4.066 ( -8.976 0.000 -2.974) 9.456 4.162 ( 0.910 0.000 -0.565) 1.071 4.186 ( -0.269 0.000 1.492) 1.516 4.208 ( -0.548 0.000 -1.038) 1.174 4.273 ( -1.993 0.000 -8.355) 8.590 4.352 ( -7.455 0.000 -1.162) 7.545 4.387 ( -5.587 0.000 -2.070) 5.958 4.424 ( -9.373 0.000 0.798) 9.407 4.542 ( -5.993 0.000 -5.022) 7.819 4.579 ( -4.828 0.000 0.351) 4.841 4.684 ( -15.478 0.000 5.023) 16.272 4.739 ( 1.173 0.000 1.878) 2.214 4.795 ( -2.328 0.000 -0.866) 2.484 4.828 ( 7.873 0.000 3.467) 8.603 4.888 ( 0.048 0.000 -3.796) 3.796 4.946 ( -5.432 0.000 -1.720) 5.698 5.023 ( -1.571 0.000 -2.917) 3.313 5.025 ( -3.223 0.000 2.909) 4.342 5.069 ( 1.235 0.000 -4.289) 4.463 5.186 ( -3.235 0.000 2.961) 4.385 5.221 ( -5.655 0.000 -1.266) 5.795 5.238 ( -4.094 0.000 1.780) 4.464 5.335 ( -8.734 0.000 -0.884) 8.779 5.371 ( -0.255 0.000 3.396) 3.405 5.451 ( 2.750 0.000 0.654) 2.827 5.475 ( -8.597 0.000 -1.723) 8.768 5.570 ( 0.784 0.000 3.158) 3.254 5.613 ( -3.019 0.000 4.166) 5.145 5.712 ( -11.705 0.000 2.293) 11.927 5.734 ( -0.167 0.000 3.714) 3.717 5.818 ( 4.091 0.000 6.291) 7.504 5.881 ( -3.808 0.000 2.662) 4.647 5.951 ( -7.212 0.000 4.528) 8.516 5.966 ( 8.869 0.000 1.829) 9.055 6.112 ( -5.736 0.000 1.533) 5.937 6.115 ( 10.618 0.000 2.801) 10.981 6.186 ( -2.269 0.000 3.383) 4.074 6.219 ( -1.959 0.000 -1.036) 2.216 6.260 ( -2.052 0.000 -0.783) 2.196 6.340 ( -9.774 0.000 -2.608) 10.116 6.426 ( 4.762 0.000 3.659) 6.005 6.428 ( 9.215 0.000 1.518) 9.339 6.462 ( -6.845 0.000 0.095) 6.846 6.546 ( -1.243 0.000 1.509) 1.955 6.580 ( 5.264 0.000 -1.187) 5.396 6.594 ( 6.918 0.000 2.097) 7.229 6.653 ( -0.333 0.000 -2.889) 2.909 6.654 ( 2.919 0.000 -1.179) 3.148 6.776 ( 4.531 0.000 2.234) 5.052 6.802 ( 0.828 0.000 3.269) 3.372 6.822 ( 5.395 0.000 3.776) 6.585 6.877 ( 9.390 0.000 3.108) 9.891 6.908 ( 2.614 0.000 5.319) 5.927 6.952 ( 6.460 0.000 0.438) 6.474 7.002 ( 0.947 0.000 3.080) 3.223 7.061 ( 2.460 0.000 7.307) 7.710 7.103 ( 2.240 0.000 -3.421) 4.089 7.220 ( 1.928 0.000 -0.646) 2.033 7.225 ( 0.765 0.000 -5.194) 5.250 7.372 ( 2.680 0.000 1.820) 3.240 7.474 ( 2.429 0.000 4.082) 4.750 7.537 ( 1.484 0.000 1.967) 2.464 7.572 ( 1.044 0.000 0.202) 1.064 7.608 ( 5.523 0.000 -1.571) 5.742 7.707 ( 3.016 0.000 0.557) 3.067 7.707 ( -0.935 0.000 0.520) 1.070 7.769 ( -4.760 0.000 2.039) 5.178 7.920 ( -0.678 0.000 -0.830) 1.071 8.030 ( 0.163 0.000 -0.986) 1.000 8.047 ( 2.758 0.000 2.939) 4.030 8.106 ( 6.040 0.000 -1.674) 6.267 8.111 ( 3.463 0.000 -1.286) 3.694 8.223 ( 2.238 0.000 -0.171) 2.244 8.281 ( 3.520 0.000 4.770) 5.928 8.333 ( 1.008 0.000 0.228) 1.034 8.410 ( 8.518 0.000 -1.122) 8.592 8.444 ( 4.330 0.000 0.254) 4.338 8.458 ( 9.050 0.000 -3.118) 9.573 8.465 ( 2.181 0.000 -0.200) 2.191 8.504 ( 6.038 0.000 4.946) 7.805 8.617 ( 5.462 0.000 3.349) 6.407 8.693 ( 0.226 0.000 -3.785) 3.792 8.874 ( -0.342 0.000 -2.220) 2.247 8.881 ( 1.440 0.000 0.599) 1.560 8.961 ( -0.002 0.000 1.116) 1.116 9.139 ( -2.008 0.000 -0.552) 2.083 9.194 ( 1.662 0.000 -3.011) 3.439 9.258 ( -3.530 0.000 3.301) 4.833 9.358 ( 2.128 0.000 -1.250) 2.468 9.370 ( 4.015 0.000 1.448) 4.268 9.603 ( -2.089 0.000 -8.302) 8.561 9.643 ( 1.501 0.000 -1.096) 1.859 9.687 ( 3.819 0.000 4.422) 5.842 9.793 ( 4.965 0.000 1.278) 5.127 9.876 ( 2.923 0.000 -4.721) 5.552 9.907 ( 4.323 0.000 -0.851) 4.406 10.049 ( 7.705 0.000 2.381) 8.064 10.095 ( 0.598 0.000 -3.431) 3.483 10.131 ( 6.579 0.000 1.099) 6.670 10.182 ( -4.319 0.000 -0.449) 4.342 10.230 ( 5.816 0.000 -0.259) 5.822 10.330 ( 14.359 0.000 -0.681) 14.375 10.547 ( 11.179 0.000 -0.366) 11.185 11.556 ( 9.364 0.000 2.067) 9.590 11.599 ( 7.251 0.000 1.614) 7.429 11.618 ( 0.423 0.000 -1.493) 1.552 11.657 ( 3.580 0.000 -1.680) 3.954 11.797 ( 2.633 0.000 3.483) 4.366 12.200 ( -1.357 0.000 2.834) 3.142 12.383 ( 4.413 0.000 -3.645) 5.724 12.476 ( 1.757 0.000 5.086) 5.380 12.494 ( 3.434 0.000 4.648) 5.779 12.597 ( -3.010 0.000 3.371) 4.519 12.784 ( 1.276 0.000 1.740) 2.158 12.942 ( 7.717 0.000 0.371) 7.726 13.080 ( -1.960 0.000 8.683) 8.902 13.169 ( -0.589 0.000 5.798) 5.828 13.176 ( -3.647 0.000 8.248) 9.018 13.350 ( -0.837 0.000 1.453) 1.677 13.500 ( -1.675 0.000 -1.112) 2.010 13.610 ( -2.824 0.000 0.031) 2.824 14.683 ( 0.410 0.000 2.640) 2.672 14.781 ( 1.798 0.000 2.683) 3.229 15.518 ( 1.231 0.000 2.303) 2.612 15.588 ( -1.099 0.000 1.153) 1.593 16.043 ( 1.117 0.000 0.220) 1.138 16.132 ( 3.394 0.000 1.718) 3.804 20.599 ( -1.381 0.000 2.632) 2.972 20.655 ( 0.881 0.000 2.939) 3.068 20.691 ( 0.525 0.000 2.788) 2.837 20.756 ( 2.666 0.000 3.402) 4.322 21.713 ( -4.039 0.000 0.949) 4.149 21.743 ( -4.579 0.000 1.823) 4.929 21.806 ( -2.601 0.000 2.250) 3.440 21.933 ( 0.129 0.000 4.962) 4.963 21.976 ( -3.245 0.000 6.203) 7.001 22.039 ( -1.984 0.000 5.575) 5.917 22.200 ( -3.666 0.000 -4.198) 5.574 22.215 ( -3.912 0.000 -5.185) 6.495 22.376 ( -6.601 0.000 -2.247) 6.973 22.435 ( -5.187 0.000 -0.618) 5.224 22.649 ( -9.478 0.000 -12.405) 15.612 22.854 ( -2.992 0.000 -1.983) 3.589 22.923 ( -3.316 0.000 -4.710) 5.760 22.933 ( -2.275 0.000 -5.667) 6.107 23.128 ( -6.104 0.000 -9.561) 11.344 23.167 ( -3.353 0.000 -16.498) 16.835 24.116 ( 3.727 0.000 0.578) 3.771 24.428 ( 13.847 0.000 0.341) 13.851 24.831 ( 5.327 0.000 0.377) 5.340 25.023 ( 10.831 0.000 2.083) 11.030 25.673 ( 4.003 0.000 2.393) 4.663 25.716 ( 5.171 0.000 2.582) 5.780 ======================= Grid point 41 (21/104) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -25.847 0.000 6.611) 26.680 0.920 ( -27.113 0.000 -8.652) 28.460 1.158 ( -31.244 0.000 1.293) 31.271 1.484 ( -11.183 0.000 -9.009) 14.360 1.680 ( -11.876 0.000 -2.588) 12.154 1.840 ( -8.439 0.000 -2.665) 8.850 2.031 ( -52.749 0.000 -12.029) 54.103 2.118 ( -34.741 0.000 -0.691) 34.748 2.331 ( -3.753 0.000 -6.237) 7.279 2.476 ( -7.697 0.000 1.119) 7.778 2.589 ( -1.420 0.000 1.065) 1.774 2.632 ( -15.426 0.000 -3.492) 15.816 2.651 ( -15.755 0.000 -6.446) 17.023 2.821 ( -7.752 0.000 -7.538) 10.813 2.847 ( -6.956 0.000 -3.157) 7.639 2.900 ( -8.461 0.000 3.057) 8.997 2.958 ( -6.480 0.000 -0.102) 6.481 2.991 ( -11.639 0.000 3.070) 12.037 3.033 ( -0.543 0.000 2.485) 2.544 3.066 ( -9.124 0.000 3.394) 9.735 3.103 ( 6.745 0.000 3.124) 7.434 3.104 ( 3.709 0.000 1.725) 4.091 3.282 ( -16.083 0.000 -4.118) 16.602 3.355 ( -10.650 0.000 -6.935) 12.709 3.362 ( -5.206 0.000 -2.270) 5.679 3.473 ( -7.168 0.000 1.399) 7.304 3.615 ( -5.241 0.000 9.330) 10.701 3.651 ( 6.592 0.000 -1.948) 6.874 3.675 ( 2.713 0.000 -2.001) 3.371 3.789 ( -1.681 0.000 2.072) 2.669 3.811 ( -1.693 0.000 5.873) 6.112 3.931 ( -0.660 0.000 -6.381) 6.415 3.963 ( 0.139 0.000 -1.263) 1.270 4.060 ( -5.224 0.000 -8.411) 9.901 4.075 ( 2.447 0.000 4.598) 5.208 4.127 ( -2.409 0.000 -7.271) 7.660 4.148 ( -4.686 0.000 -2.412) 5.270 4.212 ( -1.946 0.000 6.576) 6.858 4.243 ( -3.295 0.000 -4.010) 5.190 4.250 ( -8.976 0.000 -3.847) 9.766 4.374 ( -0.449 0.000 2.305) 2.348 4.452 ( -11.002 0.000 9.387) 14.463 4.465 ( -1.489 0.000 2.026) 2.514 4.619 ( -9.675 0.000 -3.948) 10.449 4.643 ( 2.216 0.000 0.833) 2.368 4.746 ( -3.189 0.000 -1.373) 3.472 4.804 ( -3.185 0.000 3.287) 4.577 4.816 ( -16.941 0.000 -3.624) 17.324 4.881 ( -8.555 0.000 0.942) 8.606 4.914 ( -8.501 0.000 -4.710) 9.719 5.003 ( 1.761 0.000 9.133) 9.302 5.062 ( -0.654 0.000 2.788) 2.864 5.100 ( -7.518 0.000 -2.773) 8.013 5.152 ( -5.485 0.000 4.434) 7.053 5.237 ( -5.238 0.000 2.359) 5.745 5.295 ( -7.698 0.000 -1.842) 7.915 5.301 ( 1.186 0.000 8.452) 8.534 5.328 ( -6.022 0.000 -0.522) 6.045 5.422 ( -5.170 0.000 2.741) 5.851 5.557 ( -2.430 0.000 2.838) 3.736 5.573 ( 2.917 0.000 -0.367) 2.940 5.606 ( -11.074 0.000 4.808) 12.073 5.753 ( 1.596 0.000 3.583) 3.923 5.773 ( -8.907 0.000 2.233) 9.183 5.819 ( -0.971 0.000 -2.346) 2.539 5.946 ( -7.588 0.000 -4.807) 8.982 6.043 ( 4.121 0.000 3.083) 5.147 6.064 ( 0.549 0.000 -4.663) 4.695 6.115 ( -0.656 0.000 -1.164) 1.336 6.147 ( 3.362 0.000 5.083) 6.095 6.245 ( 1.553 0.000 -6.515) 6.697 6.295 ( 4.062 0.000 -0.070) 4.062 6.308 ( -0.971 0.000 3.919) 4.038 6.442 ( 1.207 0.000 3.041) 3.272 6.497 ( 2.764 0.000 1.045) 2.955 6.525 ( -2.329 0.000 4.688) 5.235 6.529 ( -2.833 0.000 2.158) 3.562 6.571 ( -1.649 0.000 1.054) 1.957 6.689 ( 6.182 0.000 0.534) 6.205 6.699 ( -2.834 0.000 -3.661) 4.630 6.747 ( 7.732 0.000 1.338) 7.847 6.808 ( 7.613 0.000 0.622) 7.638 6.902 ( 1.313 0.000 0.518) 1.411 6.950 ( 4.615 0.000 2.986) 5.497 6.985 ( 6.203 0.000 0.647) 6.237 7.056 ( 4.703 0.000 3.440) 5.827 7.081 ( 8.835 0.000 3.171) 9.386 7.159 ( 4.804 0.000 7.137) 8.603 7.202 ( 9.066 0.000 3.295) 9.646 7.250 ( 7.280 0.000 0.533) 7.299 7.328 ( 13.664 0.000 5.812) 14.848 7.361 ( 10.175 0.000 -0.141) 10.176 7.378 ( 1.940 0.000 -1.861) 2.688 7.514 ( -2.807 0.000 4.311) 5.145 7.543 ( -0.114 0.000 -1.176) 1.181 7.557 ( 0.021 0.000 -2.489) 2.489 7.655 ( -0.259 0.000 0.648) 0.697 7.736 ( 7.348 0.000 1.643) 7.530 7.778 ( -0.744 0.000 -0.944) 1.202 7.806 ( 6.630 0.000 -0.037) 6.631 7.932 ( 1.538 0.000 2.488) 2.925 8.037 ( -0.426 0.000 -0.643) 0.771 8.081 ( 0.534 0.000 0.998) 1.132 8.118 ( 1.218 0.000 -0.149) 1.227 8.208 ( 4.407 0.000 2.634) 5.134 8.287 ( 2.404 0.000 1.104) 2.646 8.346 ( 0.249 0.000 1.390) 1.412 8.363 ( 3.282 0.000 0.278) 3.294 8.414 ( 0.239 0.000 -3.756) 3.763 8.500 ( 2.711 0.000 -1.193) 2.962 8.511 ( 2.679 0.000 -7.082) 7.572 8.539 ( 5.141 0.000 -1.399) 5.328 8.639 ( 0.907 0.000 6.753) 6.814 8.655 ( -0.039 0.000 -2.290) 2.291 8.800 ( 8.571 0.000 5.317) 10.087 8.816 ( -2.873 0.000 -2.373) 3.726 8.922 ( 4.251 0.000 0.563) 4.288 8.950 ( -1.376 0.000 0.216) 1.392 9.048 ( -2.493 0.000 -6.586) 7.042 9.106 ( -5.266 0.000 -6.436) 8.316 9.272 ( 0.776 0.000 3.335) 3.425 9.372 ( -3.732 0.000 -0.644) 3.788 9.451 ( 3.060 0.000 1.244) 3.303 9.485 ( -1.712 0.000 -2.902) 3.369 9.629 ( -1.251 0.000 0.003) 1.251 9.714 ( -4.790 0.000 2.700) 5.499 9.831 ( -1.192 0.000 -1.646) 2.032 9.883 ( 2.805 0.000 -3.640) 4.596 9.957 ( 2.326 0.000 0.098) 2.328 10.054 ( -0.925 0.000 -0.869) 1.269 10.090 ( 0.210 0.000 -3.841) 3.847 10.178 ( 1.485 0.000 -0.703) 1.643 10.203 ( 4.463 0.000 -1.607) 4.743 10.352 ( 7.264 0.000 0.715) 7.299 10.627 ( 18.928 0.000 -0.063) 18.928 10.712 ( 8.359 0.000 -1.916) 8.576 11.628 ( 1.070 0.000 1.303) 1.686 11.710 ( 3.640 0.000 -0.866) 3.741 11.739 ( 4.019 0.000 4.332) 5.909 11.784 ( 15.017 0.000 2.009) 15.151 11.947 ( 14.505 0.000 -0.563) 14.516 12.231 ( 3.484 0.000 2.376) 4.218 12.362 ( -1.141 0.000 -2.882) 3.100 12.508 ( 0.097 0.000 3.026) 3.027 12.576 ( -2.999 0.000 2.626) 3.987 12.681 ( 9.405 0.000 0.554) 9.421 12.792 ( -2.001 0.000 -0.040) 2.001 13.012 ( 2.091 0.000 -2.777) 3.476 13.180 ( -5.298 0.000 7.167) 8.913 13.185 ( 2.216 0.000 9.089) 9.355 13.247 ( 3.361 0.000 5.566) 6.502 13.331 ( -2.517 0.000 1.325) 2.845 13.433 ( -3.055 0.000 -1.322) 3.328 13.514 ( -6.974 0.000 -3.097) 7.631 14.719 ( 2.066 0.000 0.597) 2.150 14.827 ( 1.481 0.000 0.788) 1.678 15.545 ( 0.043 0.000 0.324) 0.327 15.564 ( -2.330 0.000 -0.057) 2.331 16.061 ( 1.063 0.000 -0.491) 1.171 16.185 ( 1.129 0.000 0.573) 1.266 20.589 ( -1.987 0.000 1.403) 2.433 20.706 ( 2.092 0.000 2.108) 2.970 20.732 ( 2.105 0.000 1.473) 2.570 20.842 ( 3.668 0.000 2.439) 4.405 21.634 ( -6.176 0.000 0.542) 6.199 21.656 ( -6.659 0.000 -0.230) 6.663 21.793 ( -1.927 0.000 2.844) 3.436 21.986 ( 0.470 0.000 4.508) 4.533 21.989 ( -3.672 0.000 9.065) 9.780 22.050 ( -2.315 0.000 4.003) 4.624 22.099 ( -3.737 0.000 -3.274) 4.968 22.110 ( -2.896 0.000 -4.358) 5.232 22.215 ( -7.062 0.000 -6.080) 9.318 22.290 ( -8.612 0.000 -5.706) 10.331 22.325 ( -14.610 0.000 -11.157) 18.383 22.798 ( 0.130 0.000 -24.684) 24.684 22.845 ( -2.130 0.000 -0.420) 2.171 22.859 ( -1.341 0.000 5.111) 5.284 22.970 ( -5.501 0.000 -0.752) 5.552 22.980 ( -5.025 0.000 7.257) 8.827 24.182 ( 3.391 0.000 0.220) 3.398 24.717 ( 20.655 0.000 -1.745) 20.728 24.939 ( 7.600 0.000 -0.617) 7.625 25.220 ( 10.671 0.000 -0.406) 10.678 25.717 ( -0.954 0.000 -0.020) 0.954 25.815 ( 4.689 0.000 -0.568) 4.723 ======================= Grid point 42 (22/104) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -31.306 0.000 12.142) 33.578 0.649 ( -15.404 0.000 38.740) 41.690 0.975 ( -22.632 0.000 5.900) 23.388 1.021 ( -5.455 0.000 10.202) 11.569 1.361 ( -11.001 0.000 11.456) 15.882 1.489 ( -28.241 0.000 7.774) 29.291 1.564 ( -5.808 0.000 11.726) 13.086 1.765 ( 0.336 0.000 -0.311) 0.458 2.034 ( -37.846 0.000 -9.725) 39.076 2.188 ( -13.416 0.000 -0.313) 13.420 2.391 ( -8.946 0.000 -2.786) 9.369 2.424 ( -5.582 0.000 2.155) 5.984 2.525 ( -6.449 0.000 -4.809) 8.045 2.625 ( -0.474 0.000 -4.908) 4.931 2.630 ( -4.351 0.000 1.375) 4.563 2.707 ( -8.443 0.000 -7.293) 11.156 2.818 ( -12.433 0.000 -2.207) 12.627 2.862 ( -7.452 0.000 -7.272) 10.412 2.970 ( -2.478 0.000 -8.077) 8.449 3.016 ( -3.090 0.000 7.833) 8.420 3.142 ( 1.857 0.000 5.643) 5.941 3.198 ( 0.835 0.000 3.535) 3.632 3.224 ( 3.576 0.000 2.900) 4.604 3.233 ( 2.663 0.000 -4.673) 5.379 3.420 ( 3.996 0.000 -4.396) 5.941 3.502 ( 3.852 0.000 2.065) 4.371 3.586 ( 1.710 0.000 -5.884) 6.128 3.603 ( -3.789 0.000 -6.552) 7.568 3.691 ( -0.292 0.000 4.278) 4.288 3.779 ( -1.539 0.000 0.110) 1.543 3.887 ( -2.937 0.000 -8.975) 9.443 3.891 ( 2.481 0.000 -3.094) 3.966 3.920 ( 3.932 0.000 3.968) 5.586 3.974 ( -1.827 0.000 -1.349) 2.271 4.024 ( -5.169 0.000 -1.384) 5.351 4.025 ( -4.636 0.000 -5.352) 7.080 4.122 ( -2.903 0.000 -4.012) 4.952 4.153 ( -0.402 0.000 -0.443) 0.599 4.212 ( 1.891 0.000 8.448) 8.657 4.230 ( -0.061 0.000 7.483) 7.484 4.410 ( -0.863 0.000 6.705) 6.760 4.424 ( -4.741 0.000 5.170) 7.015 4.439 ( -2.914 0.000 -1.398) 3.232 4.550 ( -5.074 0.000 8.017) 9.488 4.573 ( -4.973 0.000 -9.223) 10.479 4.585 ( -14.655 0.000 1.238) 14.708 4.628 ( -3.652 0.000 4.693) 5.946 4.672 ( -7.143 0.000 -1.677) 7.337 4.804 ( -1.027 0.000 0.754) 1.274 4.816 ( 0.172 0.000 -3.239) 3.244 4.913 ( -7.620 0.000 -0.239) 7.624 5.005 ( -10.008 0.000 10.383) 14.422 5.010 ( -2.936 0.000 -2.141) 3.634 5.082 ( -8.473 0.000 0.009) 8.473 5.183 ( -5.244 0.000 -1.713) 5.516 5.236 ( -12.612 0.000 10.492) 16.406 5.262 ( -0.730 0.000 -0.476) 0.872 5.274 ( 4.968 0.000 0.354) 4.981 5.471 ( -0.229 0.000 -1.236) 1.257 5.519 ( 1.579 0.000 1.530) 2.199 5.575 ( 0.720 0.000 1.559) 1.718 5.602 ( -4.104 0.000 3.550) 5.427 5.674 ( 0.890 0.000 -0.380) 0.968 5.786 ( 3.815 0.000 -7.035) 8.003 5.826 ( 2.367 0.000 -0.112) 2.370 5.870 ( 0.484 0.000 -1.532) 1.606 6.051 ( -5.647 0.000 -1.831) 5.936 6.063 ( 4.175 0.000 -5.124) 6.610 6.149 ( 1.251 0.000 0.761) 1.464 6.182 ( -1.051 0.000 1.822) 2.103 6.259 ( 0.909 0.000 5.425) 5.500 6.301 ( 0.017 0.000 4.590) 4.590 6.336 ( 2.811 0.000 -0.958) 2.970 6.461 ( -0.149 0.000 -2.945) 2.949 6.520 ( -1.415 0.000 4.308) 4.534 6.524 ( -2.346 0.000 6.769) 7.164 6.568 ( 3.042 0.000 1.454) 3.372 6.576 ( -1.844 0.000 5.153) 5.473 6.632 ( -0.331 0.000 -3.663) 3.678 6.777 ( 3.396 0.000 0.730) 3.474 6.829 ( -2.430 0.000 -3.317) 4.112 6.892 ( -1.904 0.000 0.922) 2.116 6.930 ( 6.237 0.000 -4.729) 7.827 7.002 ( 5.843 0.000 -1.180) 5.961 7.075 ( 4.348 0.000 -1.151) 4.498 7.162 ( 2.602 0.000 3.147) 4.083 7.200 ( 5.096 0.000 3.067) 5.948 7.260 ( -0.849 0.000 2.605) 2.740 7.304 ( 1.395 0.000 -3.159) 3.454 7.411 ( 7.728 0.000 -6.929) 10.380 7.416 ( 7.741 0.000 -1.200) 7.833 7.456 ( -1.250 0.000 -2.437) 2.739 7.507 ( 5.119 0.000 -2.945) 5.906 7.540 ( 0.018 0.000 0.332) 0.332 7.569 ( 4.799 0.000 -2.659) 5.486 7.572 ( 2.528 0.000 -0.313) 2.547 7.644 ( -2.708 0.000 2.401) 3.620 7.746 ( -9.744 0.000 -15.897) 18.645 7.757 ( 3.316 0.000 -1.961) 3.853 7.881 ( 3.627 0.000 -3.622) 5.126 7.936 ( -0.448 0.000 -4.597) 4.619 7.984 ( 0.071 0.000 1.453) 1.455 8.096 ( 1.134 0.000 0.310) 1.176 8.158 ( -0.352 0.000 2.853) 2.874 8.238 ( -3.726 0.000 1.404) 3.981 8.284 ( -1.620 0.000 -3.859) 4.186 8.340 ( -0.691 0.000 -0.958) 1.181 8.389 ( -3.058 0.000 -6.846) 7.497 8.429 ( -1.078 0.000 -2.407) 2.637 8.429 ( 2.767 0.000 -2.277) 3.584 8.558 ( 5.013 0.000 -2.184) 5.468 8.574 ( 7.285 0.000 6.418) 9.709 8.688 ( 3.387 0.000 2.388) 4.144 8.761 ( -1.106 0.000 -1.157) 1.600 8.765 ( 2.866 0.000 11.450) 11.804 8.930 ( 1.017 0.000 -3.812) 3.946 8.940 ( -0.270 0.000 -0.770) 0.816 8.965 ( -3.890 0.000 -2.295) 4.517 8.986 ( 3.773 0.000 1.946) 4.245 9.036 ( 1.909 0.000 3.907) 4.349 9.285 ( -0.224 0.000 -3.456) 3.463 9.290 ( -0.635 0.000 6.156) 6.189 9.466 ( -0.395 0.000 -1.496) 1.548 9.480 ( -1.608 0.000 0.696) 1.752 9.670 ( 2.323 0.000 6.795) 7.181 9.670 ( -3.051 0.000 7.339) 7.948 9.731 ( -8.187 0.000 0.857) 8.232 9.877 ( 0.130 0.000 -0.834) 0.844 9.995 ( 1.484 0.000 0.672) 1.629 10.039 ( -2.025 0.000 -6.394) 6.707 10.143 ( 4.839 0.000 6.943) 8.463 10.205 ( 1.365 0.000 1.428) 1.976 10.208 ( 6.166 0.000 -0.929) 6.235 10.459 ( 3.935 0.000 1.069) 4.077 10.789 ( 3.250 0.000 -1.365) 3.525 10.907 ( 13.243 0.000 -0.655) 13.259 11.666 ( 0.165 0.000 2.437) 2.443 11.740 ( 0.982 0.000 -1.230) 1.574 11.821 ( 1.518 0.000 3.587) 3.895 12.065 ( 14.538 0.000 2.452) 14.743 12.176 ( 10.957 0.000 -0.366) 10.963 12.305 ( -2.712 0.000 -2.642) 3.786 12.413 ( 16.179 0.000 -5.472) 17.079 12.523 ( -0.954 0.000 0.420) 1.043 12.551 ( -0.344 0.000 1.439) 1.480 12.700 ( -6.195 0.000 -3.222) 6.983 12.747 ( 1.654 0.000 -8.935) 9.087 12.916 ( -8.735 0.000 -14.630) 17.039 13.135 ( -5.147 0.000 3.119) 6.018 13.174 ( -4.499 0.000 -4.867) 6.628 13.237 ( -11.007 0.000 -5.343) 12.235 13.361 ( 6.741 0.000 6.991) 9.712 13.377 ( -3.320 0.000 1.177) 3.523 13.533 ( 8.830 0.000 3.147) 9.374 14.745 ( 3.107 0.000 -6.459) 7.167 14.838 ( 0.757 0.000 -2.648) 2.754 15.511 ( -2.288 0.000 -2.583) 3.451 15.513 ( -1.958 0.000 -3.498) 4.009 16.067 ( 0.720 0.000 -1.620) 1.772 16.174 ( -1.715 0.000 -1.423) 2.228 20.566 ( -1.538 0.000 0.330) 1.573 20.742 ( 1.248 0.000 -3.446) 3.664 20.786 ( 3.948 0.000 -2.395) 4.617 20.869 ( -2.202 0.000 -4.492) 5.002 21.517 ( -7.480 0.000 -0.157) 7.482 21.543 ( -3.637 0.000 -1.945) 4.124 21.780 ( -2.093 0.000 0.254) 2.108 21.919 ( -14.767 0.000 -6.443) 16.112 21.931 ( -5.121 0.000 -12.233) 13.262 21.980 ( -8.671 0.000 -13.095) 15.706 22.041 ( -1.345 0.000 1.329) 1.891 22.055 ( -0.640 0.000 9.282) 9.304 22.080 ( 0.986 0.000 4.530) 4.636 22.120 ( -4.154 0.000 1.573) 4.442 22.131 ( -3.802 0.000 1.600) 4.125 22.426 ( -10.014 0.000 -13.952) 17.174 22.846 ( -0.559 0.000 2.512) 2.573 22.854 ( -1.072 0.000 1.819) 2.111 22.985 ( -1.335 0.000 18.761) 18.808 23.459 ( 32.802 0.000 51.213) 60.817 24.226 ( 1.937 0.000 -0.728) 2.069 25.030 ( 19.753 0.000 -9.667) 21.992 25.069 ( 9.418 0.000 -3.015) 9.889 25.329 ( 4.360 0.000 -6.378) 7.726 25.626 ( -7.669 0.000 -2.915) 8.204 25.782 ( -5.156 0.000 -16.490) 17.277 ======================= Grid point 43 (23/104) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -3.481 -22.340 10.812) 25.062 0.794 ( -3.481 22.340 10.812) 25.062 1.133 ( 2.850 -26.686 24.492) 36.334 1.133 ( 2.850 26.686 24.492) 36.334 1.464 ( 5.841 -11.347 26.941) 29.811 1.464 ( 5.841 11.347 26.941) 29.811 1.828 ( -8.736 -15.882 -0.877) 18.147 1.828 ( -8.736 15.882 -0.877) 18.147 1.956 ( 16.300 -12.712 0.920) 20.691 1.956 ( 16.300 12.712 0.920) 20.691 2.115 ( 1.194 -18.579 10.235) 21.245 2.115 ( 1.194 18.579 10.235) 21.245 2.438 ( 0.778 -4.380 -5.738) 7.261 2.438 ( 0.778 4.380 -5.738) 7.261 2.597 ( 0.766 -1.600 -10.064) 10.219 2.597 ( 0.766 1.600 -10.064) 10.219 2.768 ( -0.716 -12.888 3.374) 13.341 2.768 ( -0.716 12.888 3.374) 13.341 2.950 ( 0.373 -9.895 2.809) 10.293 2.950 ( 0.373 9.895 2.809) 10.293 3.203 ( 2.904 -2.551 -4.384) 5.845 3.203 ( 2.904 2.551 -4.384) 5.845 3.387 ( -0.512 -7.608 2.074) 7.902 3.387 ( -0.512 7.608 2.074) 7.902 3.430 ( 0.540 -8.396 -2.003) 8.649 3.430 ( 0.540 8.396 -2.003) 8.649 3.592 ( 1.181 -7.930 -7.321) 10.857 3.592 ( 1.181 7.930 -7.321) 10.857 3.697 ( -4.826 -4.155 -0.151) 6.370 3.697 ( -4.826 4.155 -0.151) 6.370 3.886 ( 3.036 -2.230 -6.620) 7.617 3.886 ( 3.036 2.230 -6.620) 7.617 3.960 ( 0.446 -3.092 1.687) 3.551 3.960 ( 0.446 3.092 1.687) 3.551 4.020 ( -0.745 -6.439 -1.818) 6.732 4.020 ( -0.745 6.439 -1.818) 6.732 4.084 ( 6.865 -1.161 6.441) 9.485 4.084 ( 6.865 1.161 6.441) 9.485 4.190 ( -5.804 -3.255 -4.324) 7.936 4.190 ( -5.804 3.255 -4.324) 7.936 4.342 ( -2.060 -5.495 -1.188) 5.988 4.342 ( -2.060 5.495 -1.188) 5.988 4.453 ( 1.684 -3.674 6.010) 7.243 4.453 ( 1.684 3.674 6.010) 7.243 4.524 ( -0.858 -4.127 8.070) 9.105 4.524 ( -0.858 4.127 8.070) 9.105 4.638 ( 0.383 -5.117 0.503) 5.156 4.638 ( 0.383 5.117 0.503) 5.156 4.818 ( -3.144 -4.094 -0.075) 5.162 4.818 ( -3.144 4.094 -0.075) 5.162 4.900 ( -0.713 -7.011 0.762) 7.088 4.900 ( -0.713 7.011 0.762) 7.088 5.013 ( -2.443 -3.807 0.688) 4.575 5.013 ( -2.443 3.807 0.688) 4.575 5.154 ( -1.760 -0.996 5.845) 6.185 5.154 ( -1.760 0.996 5.845) 6.185 5.311 ( 0.711 -12.660 0.277) 12.683 5.311 ( 0.711 12.660 0.277) 12.683 5.438 ( -0.773 -2.718 1.496) 3.197 5.438 ( -0.773 2.718 1.496) 3.197 5.584 ( -0.401 -12.252 -4.345) 13.006 5.584 ( -0.401 12.252 -4.345) 13.006 5.711 ( -1.666 -6.760 -4.567) 8.326 5.711 ( -1.666 6.760 -4.567) 8.326 5.852 ( 1.396 -4.868 0.357) 5.077 5.852 ( 1.396 4.868 0.357) 5.077 6.023 ( -3.993 -5.824 -2.942) 7.650 6.023 ( -3.993 5.824 -2.942) 7.650 6.147 ( 0.002 -5.315 1.447) 5.509 6.147 ( 0.002 5.315 1.447) 5.509 6.261 ( 0.449 -4.240 -1.785) 4.622 6.261 ( 0.449 4.240 -1.785) 4.622 6.437 ( 2.361 -3.584 4.807) 6.444 6.437 ( 2.361 3.584 4.807) 6.444 6.546 ( -3.035 -0.384 4.069) 5.091 6.546 ( -3.035 0.384 4.069) 5.091 6.620 ( 0.948 -1.835 5.754) 6.114 6.620 ( 0.948 1.835 5.754) 6.114 6.712 ( 1.791 -10.000 -7.757) 12.782 6.712 ( 1.791 10.000 -7.757) 12.782 6.852 ( -4.029 -5.924 -3.520) 7.982 6.852 ( -4.029 5.924 -3.520) 7.982 6.975 ( -0.762 -7.889 -1.208) 8.017 6.975 ( -0.762 7.889 -1.208) 8.017 7.137 ( -0.826 -4.268 -1.393) 4.565 7.137 ( -0.826 4.268 -1.393) 4.565 7.267 ( 0.748 -2.662 -4.145) 4.982 7.267 ( 0.748 2.662 -4.145) 4.982 7.278 ( -0.966 -5.668 0.447) 5.767 7.278 ( -0.966 5.668 0.447) 5.767 7.387 ( -5.230 -3.974 -6.834) 9.479 7.387 ( -5.230 3.974 -6.834) 9.479 7.571 ( -2.153 -4.363 -3.897) 6.234 7.571 ( -2.153 4.363 -3.897) 6.234 7.611 ( -3.021 -7.595 -4.149) 9.166 7.611 ( -3.021 7.595 -4.149) 9.166 7.643 ( 0.686 -2.438 -1.765) 3.087 7.643 ( 0.686 2.438 -1.765) 3.087 7.768 ( -0.447 -6.904 -7.127) 9.933 7.768 ( -0.447 6.904 -7.127) 9.933 7.852 ( 4.545 -13.533 3.194) 14.629 7.852 ( 4.545 13.533 3.194) 14.629 8.116 ( -1.889 -0.362 -1.004) 2.170 8.116 ( -1.889 0.362 -1.004) 2.170 8.180 ( -0.976 -5.037 -3.702) 6.327 8.180 ( -0.976 5.037 -3.702) 6.327 8.369 ( 0.752 -3.172 -3.091) 4.492 8.369 ( 0.752 3.172 -3.091) 4.492 8.484 ( 2.389 -10.988 -1.795) 11.387 8.484 ( 2.389 10.988 -1.795) 11.387 8.618 ( 2.273 -1.888 1.922) 3.525 8.618 ( 2.273 1.888 1.922) 3.525 8.747 ( 2.231 -6.237 1.070) 6.709 8.747 ( 2.231 6.237 1.070) 6.709 8.861 ( -2.990 -3.967 3.503) 6.078 8.861 ( -2.990 3.967 3.503) 6.078 8.967 ( 0.299 -1.541 3.293) 3.648 8.967 ( 0.299 1.541 3.293) 3.648 9.037 ( 0.917 -6.107 -4.478) 7.628 9.037 ( 0.917 6.107 -4.478) 7.628 9.341 ( -1.051 -4.469 -0.233) 4.597 9.341 ( -1.051 4.469 -0.233) 4.597 9.483 ( 3.855 -4.473 10.141) 11.735 9.483 ( 3.855 4.473 10.141) 11.735 9.600 ( -5.698 -11.092 3.354) 12.913 9.600 ( -5.698 11.092 3.354) 12.913 9.757 ( -0.825 -3.590 8.318) 9.098 9.757 ( -0.825 3.590 8.318) 9.098 9.972 ( 2.574 -4.212 4.574) 6.729 9.972 ( 2.574 4.212 4.574) 6.729 10.225 ( 1.343 -1.746 5.181) 5.630 10.225 ( 1.343 1.746 5.181) 5.630 10.424 ( 0.739 -22.206 2.268) 22.334 10.424 ( 0.739 22.206 2.268) 22.334 10.954 ( -0.976 -7.373 -3.606) 8.265 10.954 ( -0.976 7.373 -3.606) 8.265 11.700 ( -0.682 -4.223 -0.335) 4.291 11.700 ( -0.682 4.223 -0.335) 4.291 12.203 ( -3.806 -4.106 -3.695) 6.708 12.203 ( -3.806 4.106 -3.695) 6.708 12.247 ( 0.360 -12.270 -13.935) 18.571 12.247 ( 0.360 12.270 -13.935) 18.571 12.478 ( 4.690 -7.958 -3.665) 9.938 12.478 ( 4.690 7.958 -3.665) 9.938 12.531 ( -4.729 -1.963 -5.436) 7.468 12.531 ( -4.729 1.963 -5.436) 7.468 12.757 ( 2.740 -3.217 -4.885) 6.459 12.757 ( 2.740 3.217 -4.885) 6.459 13.022 ( -2.499 -8.641 -8.329) 12.258 13.022 ( -2.499 8.641 -8.329) 12.258 13.229 ( 0.460 -7.742 -3.690) 8.589 13.229 ( 0.460 7.742 -3.690) 8.589 13.509 ( -1.575 -6.150 -4.739) 7.923 13.509 ( -1.575 6.150 -4.739) 7.923 14.725 ( -0.430 -5.267 -8.801) 10.266 14.725 ( -0.430 5.267 -8.801) 10.266 15.449 ( -0.048 -0.367 -5.231) 5.244 15.449 ( -0.048 0.367 -5.231) 5.244 16.092 ( -0.045 -3.131 -2.716) 4.145 16.092 ( -0.045 3.131 -2.716) 4.145 20.624 ( -1.060 -4.184 -4.808) 6.461 20.624 ( -1.060 4.184 -4.808) 6.461 20.768 ( -1.509 -0.445 -3.624) 3.951 20.768 ( -1.509 0.445 -3.624) 3.951 21.495 ( 0.675 -3.505 -1.155) 3.751 21.495 ( 0.675 3.505 -1.155) 3.751 21.709 ( -3.330 -0.733 -1.080) 3.577 21.709 ( -3.330 0.733 -1.080) 3.577 21.756 ( -1.283 -1.640 -4.691) 5.133 21.756 ( -1.283 1.640 -4.691) 5.133 22.100 ( 2.082 -0.634 4.188) 4.720 22.100 ( 2.082 0.634 4.188) 4.720 22.140 ( 1.856 -1.564 6.321) 6.771 22.140 ( 1.856 1.564 6.321) 6.771 22.343 ( 5.625 -7.228 10.868) 14.213 22.343 ( 5.625 7.228 10.868) 14.213 22.876 ( 0.553 -0.251 4.235) 4.278 22.876 ( 0.553 0.251 4.235) 4.278 23.435 ( 0.278 -27.281 30.199) 40.698 23.435 ( 0.278 27.281 30.199) 40.698 24.939 ( 0.904 -9.081 -19.639) 21.656 24.939 ( 0.904 9.081 -19.639) 21.656 25.186 ( -0.153 -4.980 -6.820) 8.446 25.186 ( -0.153 4.980 -6.820) 8.446 25.481 ( 0.208 -2.919 -7.989) 8.508 25.481 ( 0.208 2.919 -7.989) 8.508 ======================= Grid point 45 (24/104) ======================= q-point: ( 0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 16.978 -25.019 11.534) 32.361 1.042 ( 16.978 25.019 11.534) 32.361 1.569 ( 14.897 -26.588 22.678) 37.989 1.569 ( 14.897 26.588 22.678) 37.989 1.629 ( 14.122 -3.748 3.129) 14.942 1.629 ( 14.122 3.748 3.129) 14.942 2.156 ( 16.043 -2.720 8.785) 18.491 2.156 ( 16.043 2.720 8.785) 18.491 2.249 ( 9.130 -6.362 4.411) 11.970 2.249 ( 9.130 6.362 4.411) 11.970 2.341 ( 20.720 -12.026 21.744) 32.354 2.341 ( 20.720 12.026 21.744) 32.354 2.476 ( 9.738 -2.838 -4.326) 11.027 2.476 ( 9.738 2.838 -4.326) 11.027 2.647 ( 9.721 -0.456 -1.036) 9.787 2.647 ( 9.721 0.456 -1.036) 9.787 2.805 ( 2.191 -4.286 4.333) 6.477 2.805 ( 2.191 4.286 4.333) 6.477 3.076 ( 7.988 -4.654 6.537) 11.323 3.076 ( 7.988 4.654 6.537) 11.323 3.181 ( -1.344 -4.280 -1.240) 4.654 3.181 ( -1.344 4.280 -1.240) 4.654 3.313 ( -7.283 -6.147 -0.511) 9.544 3.313 ( -7.283 6.147 -0.511) 9.544 3.401 ( -2.352 -3.635 -3.929) 5.847 3.401 ( -2.352 3.635 -3.929) 5.847 3.534 ( -0.550 -1.360 -2.458) 2.862 3.534 ( -0.550 1.360 -2.458) 2.862 3.676 ( 3.532 -1.181 -4.828) 6.097 3.676 ( 3.532 1.181 -4.828) 6.097 3.828 ( -2.579 -0.298 -4.765) 5.426 3.828 ( -2.579 0.298 -4.765) 5.426 4.005 ( 3.128 -1.484 -1.257) 3.683 4.005 ( 3.128 1.484 -1.257) 3.683 4.060 ( 2.157 -1.708 0.718) 2.843 4.060 ( 2.157 1.708 0.718) 2.843 4.128 ( 7.805 -7.125 -0.951) 10.611 4.128 ( 7.805 7.125 -0.951) 10.611 4.271 ( 1.039 -7.845 7.666) 11.018 4.271 ( 1.039 7.845 7.666) 11.018 4.390 ( 6.442 -5.477 0.873) 8.500 4.390 ( 6.442 5.477 0.873) 8.500 4.545 ( 5.000 -1.854 -2.117) 5.737 4.545 ( 5.000 1.854 -2.117) 5.737 4.554 ( 2.267 -5.057 4.979) 7.450 4.554 ( 2.267 5.057 4.979) 7.450 4.695 ( 5.233 -2.574 2.371) 6.295 4.695 ( 5.233 2.574 2.371) 6.295 4.814 ( 2.414 -6.657 -0.960) 7.146 4.814 ( 2.414 6.657 -0.960) 7.146 4.909 ( 3.316 -2.297 -3.886) 5.601 4.909 ( 3.316 2.297 -3.886) 5.601 5.047 ( 4.909 -9.257 6.281) 12.216 5.047 ( 4.909 9.257 6.281) 12.216 5.168 ( -3.659 -5.644 1.222) 6.836 5.168 ( -3.659 5.644 1.222) 6.836 5.316 ( -0.108 -3.354 2.616) 4.255 5.316 ( -0.108 3.354 2.616) 4.255 5.445 ( 0.290 -8.418 -2.607) 8.817 5.445 ( 0.290 8.418 -2.607) 8.817 5.540 ( 0.092 -12.564 1.838) 12.698 5.540 ( 0.092 12.564 1.838) 12.698 5.641 ( -0.109 -2.256 -2.507) 3.375 5.641 ( -0.109 2.256 -2.507) 3.375 5.888 ( 0.022 -7.723 -1.539) 7.874 5.888 ( 0.022 7.723 -1.539) 7.874 5.942 ( -1.423 -3.381 -0.589) 3.715 5.942 ( -1.423 3.381 -0.589) 3.715 6.168 ( 0.115 -3.444 -0.865) 3.552 6.168 ( 0.115 3.444 -0.865) 3.552 6.251 ( 0.460 -8.292 -0.782) 8.341 6.251 ( 0.460 8.292 -0.782) 8.341 6.449 ( -6.768 -4.833 -3.326) 8.957 6.449 ( -6.768 4.833 -3.326) 8.957 6.518 ( 1.538 -5.997 -0.560) 6.216 6.518 ( 1.538 5.997 -0.560) 6.216 6.662 ( 0.744 -1.020 1.327) 1.832 6.662 ( 0.744 1.020 1.327) 1.832 6.699 ( -0.622 -2.535 4.093) 4.854 6.699 ( -0.622 2.535 4.093) 4.854 6.818 ( 0.418 -2.579 2.893) 3.898 6.818 ( 0.418 2.579 2.893) 3.898 6.898 ( -5.706 -3.081 -5.041) 8.213 6.898 ( -5.706 3.081 -5.041) 8.213 7.010 ( -11.619 -3.206 -7.233) 14.057 7.010 ( -11.619 3.206 -7.233) 14.057 7.138 ( -8.039 -4.164 -6.930) 11.401 7.138 ( -8.039 4.164 -6.930) 11.401 7.213 ( -4.797 -7.933 -3.691) 9.978 7.213 ( -4.797 7.933 -3.691) 9.978 7.275 ( -1.281 -2.452 -2.252) 3.568 7.275 ( -1.281 2.452 -2.252) 3.568 7.476 ( -2.421 -2.592 -6.936) 7.790 7.476 ( -2.421 2.592 -6.936) 7.790 7.511 ( 0.508 -0.682 -1.662) 1.867 7.511 ( 0.508 0.682 -1.662) 1.867 7.638 ( -0.177 -5.416 1.137) 5.537 7.638 ( -0.177 5.416 1.137) 5.537 7.798 ( 4.165 -2.109 0.390) 4.685 7.798 ( 4.165 2.109 0.390) 4.685 7.929 ( -0.937 -7.337 3.056) 8.002 7.929 ( -0.937 7.337 3.056) 8.002 8.087 ( -0.723 -1.902 -0.907) 2.227 8.087 ( -0.723 1.902 -0.907) 2.227 8.160 ( 2.906 -5.095 -3.918) 7.053 8.160 ( 2.906 5.095 -3.918) 7.053 8.341 ( -0.611 -2.826 -2.888) 4.087 8.341 ( -0.611 2.826 -2.888) 4.087 8.481 ( 0.564 -6.672 -3.907) 7.752 8.481 ( 0.564 6.672 -3.907) 7.752 8.638 ( -0.990 -4.875 0.269) 4.982 8.638 ( -0.990 4.875 0.269) 4.982 8.743 ( -3.734 -6.902 0.062) 7.847 8.743 ( -3.734 6.902 0.062) 7.847 8.832 ( -5.376 -2.032 4.283) 7.168 8.832 ( -5.376 2.032 4.283) 7.168 8.964 ( 0.089 -5.087 -4.170) 6.578 8.964 ( 0.089 5.087 -4.170) 6.578 9.083 ( 4.063 -3.628 2.783) 6.117 9.083 ( 4.063 3.628 2.783) 6.117 9.305 ( -2.669 -8.742 -0.650) 9.163 9.305 ( -2.669 8.742 -0.650) 9.163 9.468 ( -1.780 -1.960 -2.154) 3.413 9.468 ( -1.780 1.960 -2.154) 3.413 9.695 ( 6.382 -3.718 -0.164) 7.388 9.695 ( 6.382 3.718 -0.164) 7.388 9.840 ( 0.592 -2.429 6.276) 6.756 9.840 ( 0.592 2.429 6.276) 6.756 10.006 ( -1.920 -2.046 1.766) 3.315 10.006 ( -1.920 2.046 1.766) 3.315 10.285 ( -1.321 -1.839 5.946) 6.363 10.285 ( -1.321 1.839 5.946) 6.363 10.417 ( -3.821 -15.598 0.353) 16.063 10.417 ( -3.821 15.598 0.353) 16.063 10.811 ( -9.973 -6.187 -4.126) 12.440 10.811 ( -9.973 6.187 -4.126) 12.440 11.674 ( -1.809 -2.326 -0.607) 3.009 11.674 ( -1.809 2.326 -0.607) 3.009 11.924 ( -10.955 -5.760 -3.833) 12.957 11.924 ( -10.955 5.760 -3.833) 12.957 12.205 ( -8.948 -4.580 -3.870) 10.771 12.205 ( -8.948 4.580 -3.870) 10.771 12.352 ( -0.261 -0.685 -4.127) 4.192 12.352 ( -0.261 0.685 -4.127) 4.192 12.537 ( 2.870 -8.663 -1.378) 9.230 12.537 ( 2.870 8.663 -1.378) 9.230 12.804 ( 4.945 -2.099 -8.433) 9.999 12.804 ( 4.945 2.099 -8.433) 9.999 12.916 ( -1.254 -10.767 -6.808) 12.801 12.916 ( -1.254 10.767 -6.808) 12.801 13.207 ( 0.696 -3.345 -2.095) 4.007 13.207 ( 0.696 3.345 -2.095) 4.007 13.460 ( 1.592 -2.585 -3.681) 4.772 13.460 ( 1.592 2.585 -3.681) 4.772 14.634 ( 0.128 -6.868 -8.572) 10.985 14.634 ( 0.128 6.868 -8.572) 10.985 15.416 ( 2.491 -1.523 -6.174) 6.830 15.416 ( 2.491 1.523 -6.174) 6.830 16.069 ( 0.609 -2.964 -3.717) 4.793 16.069 ( 0.609 2.964 -3.717) 4.793 20.568 ( -0.980 -3.278 -2.210) 4.074 20.568 ( -0.980 3.278 -2.210) 4.074 20.714 ( -1.246 -2.152 -4.070) 4.770 20.714 ( -1.246 2.152 -4.070) 4.770 21.531 ( 3.920 -1.746 -0.009) 4.292 21.531 ( 3.920 1.746 -0.009) 4.292 21.697 ( 1.508 -1.180 -1.708) 2.566 21.697 ( 1.508 1.180 -1.708) 2.566 21.758 ( 4.460 -1.106 -2.876) 5.421 21.758 ( 4.460 1.106 -2.876) 5.421 22.187 ( 3.411 -0.509 4.079) 5.342 22.187 ( 3.411 0.509 4.079) 5.342 22.256 ( 3.852 -2.676 6.209) 7.781 22.256 ( 3.852 2.676 6.209) 7.781 22.568 ( 9.263 -4.050 8.089) 12.948 22.568 ( 9.263 4.050 8.089) 12.948 22.948 ( 2.008 -0.522 5.957) 6.308 22.948 ( 2.008 0.522 5.957) 6.308 23.597 ( -6.516 -19.508 17.884) 27.255 23.597 ( -6.516 19.508 17.884) 27.255 24.587 ( -13.847 -18.703 -10.864) 25.682 24.587 ( -13.847 18.703 -10.864) 25.682 25.092 ( -3.576 -6.677 -9.678) 12.289 25.092 ( -3.576 6.677 -9.678) 12.289 25.520 ( 7.831 -1.162 -8.667) 11.739 25.520 ( 7.831 1.162 -8.667) 11.739 ======================= Grid point 47 (25/104) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 19.852 -25.289 7.526) 33.020 1.505 ( 19.852 25.289 7.526) 33.020 1.831 ( 10.720 -34.269 10.450) 37.396 1.831 ( 10.720 34.269 10.450) 37.396 2.139 ( 20.030 -4.812 11.448) 23.567 2.139 ( 20.030 4.812 11.448) 23.567 2.376 ( 15.189 -0.939 -6.967) 16.737 2.376 ( 15.189 0.939 -6.967) 16.737 2.470 ( 16.071 -3.954 -6.641) 17.833 2.470 ( 16.071 3.954 -6.641) 17.833 2.589 ( 10.701 -0.911 2.234) 10.970 2.589 ( 10.701 0.911 2.234) 10.970 2.777 ( 4.753 -5.153 3.231) 7.719 2.777 ( 4.753 5.153 3.231) 7.719 2.877 ( 7.750 -3.599 7.456) 11.341 2.877 ( 7.750 3.599 7.456) 11.341 3.026 ( 3.771 -5.751 8.130) 10.649 3.026 ( 3.771 5.751 8.130) 10.649 3.152 ( 9.213 -7.339 8.724) 14.658 3.152 ( 9.213 7.339 8.724) 14.658 3.184 ( 2.845 -5.180 3.970) 7.119 3.184 ( 2.845 5.180 3.970) 7.119 3.333 ( -1.483 -2.202 -1.668) 3.136 3.333 ( -1.483 2.202 -1.668) 3.136 3.420 ( 12.077 -5.040 3.703) 13.601 3.420 ( 12.077 5.040 3.703) 13.601 3.481 ( 1.332 -3.413 0.117) 3.666 3.481 ( 1.332 3.413 0.117) 3.666 3.734 ( 4.796 -3.134 -0.037) 5.729 3.734 ( 4.796 3.134 -0.037) 5.729 3.772 ( 1.670 -5.491 0.112) 5.740 3.772 ( 1.670 5.491 0.112) 5.740 4.015 ( -1.001 -2.082 0.029) 2.311 4.015 ( -1.001 2.082 0.029) 2.311 4.152 ( 10.975 -0.181 -1.847) 11.131 4.152 ( 10.975 0.181 -1.847) 11.131 4.270 ( -1.605 -5.128 5.537) 7.715 4.270 ( -1.605 5.128 5.537) 7.715 4.343 ( 6.300 -4.651 4.303) 8.935 4.343 ( 6.300 4.651 4.303) 8.935 4.472 ( 1.153 -9.625 4.054) 10.507 4.472 ( 1.153 9.625 4.054) 10.507 4.596 ( 4.471 -4.304 -0.528) 6.228 4.596 ( 4.471 4.304 -0.528) 6.228 4.663 ( 3.428 -6.578 0.661) 7.447 4.663 ( 3.428 6.578 0.661) 7.447 4.794 ( 5.453 -3.154 -0.919) 6.366 4.794 ( 5.453 3.154 -0.919) 6.366 4.908 ( 7.402 -4.067 -2.060) 8.693 4.908 ( 7.402 4.067 -2.060) 8.693 4.975 ( 5.561 -3.252 -2.004) 6.746 4.975 ( 5.561 3.252 -2.004) 6.746 5.106 ( 2.866 -2.267 -1.422) 3.921 5.106 ( 2.866 2.267 -1.422) 3.921 5.233 ( 4.908 -8.688 1.076) 10.036 5.233 ( 4.908 8.688 1.076) 10.036 5.372 ( 5.398 -1.960 3.117) 6.534 5.372 ( 5.398 1.960 3.117) 6.534 5.441 ( 4.695 -9.440 -0.363) 10.550 5.441 ( 4.695 9.440 -0.363) 10.550 5.617 ( 1.687 -7.011 5.027) 8.790 5.617 ( 1.687 7.011 5.027) 8.790 5.662 ( 3.703 -3.413 1.560) 5.272 5.662 ( 3.703 3.413 1.560) 5.272 5.806 ( -2.268 -2.015 -3.841) 4.894 5.806 ( -2.268 2.015 -3.841) 4.894 5.957 ( -5.599 -5.472 0.808) 7.870 5.957 ( -5.599 5.472 0.808) 7.870 6.078 ( -2.243 -4.360 -5.327) 7.240 6.078 ( -2.243 4.360 -5.327) 7.240 6.208 ( 0.373 -0.772 -3.402) 3.508 6.208 ( 0.373 0.772 -3.402) 3.508 6.377 ( -2.323 -2.911 -2.117) 4.284 6.377 ( -2.323 2.911 -2.117) 4.284 6.511 ( -3.649 -5.121 -5.472) 8.335 6.511 ( -3.649 5.121 -5.472) 8.335 6.570 ( -9.784 -4.213 -10.583) 15.016 6.570 ( -9.784 4.213 -10.583) 15.016 6.633 ( -7.735 -4.837 -6.334) 11.106 6.633 ( -7.735 4.837 -6.334) 11.106 6.748 ( -1.801 -1.906 3.312) 4.224 6.748 ( -1.801 1.906 3.312) 4.224 6.805 ( -0.224 -1.306 2.535) 2.860 6.805 ( -0.224 1.306 2.535) 2.860 6.889 ( 0.996 -4.551 0.735) 4.717 6.889 ( 0.996 4.551 0.735) 4.717 7.005 ( -0.371 -2.201 0.401) 2.267 7.005 ( -0.371 2.201 0.401) 2.267 7.131 ( -2.581 -11.386 3.520) 12.194 7.131 ( -2.581 11.386 3.520) 12.194 7.306 ( 0.892 -0.981 3.158) 3.425 7.306 ( 0.892 0.981 3.158) 3.425 7.394 ( -1.514 -5.710 -2.739) 6.511 7.394 ( -1.514 5.710 -2.739) 6.511 7.514 ( -0.408 -1.347 -0.291) 1.437 7.514 ( -0.408 1.347 -0.291) 1.437 7.661 ( 1.063 -5.953 1.111) 6.148 7.661 ( 1.063 5.953 1.111) 6.148 7.803 ( -6.342 -2.772 1.946) 7.190 7.803 ( -6.342 2.772 1.946) 7.190 7.932 ( 1.831 -1.907 -0.370) 2.669 7.932 ( 1.831 1.907 -0.370) 2.669 8.054 ( 0.319 -2.325 -4.933) 5.463 8.054 ( 0.319 2.325 -4.933) 5.463 8.168 ( -0.726 -7.427 -1.347) 7.583 8.168 ( -0.726 7.427 -1.347) 7.583 8.301 ( -2.321 -2.899 -1.544) 4.022 8.301 ( -2.321 2.899 -1.544) 4.022 8.438 ( -1.531 -5.349 -1.927) 5.888 8.438 ( -1.531 5.349 -1.927) 5.888 8.570 ( -5.407 -6.061 -3.358) 8.789 8.570 ( -5.407 6.061 -3.358) 8.789 8.680 ( -3.681 -3.451 0.587) 5.080 8.680 ( -3.681 3.451 0.587) 5.080 8.784 ( -2.122 -6.042 0.391) 6.416 8.784 ( -2.122 6.042 0.391) 6.416 8.904 ( -0.342 -3.217 -6.942) 7.659 8.904 ( -0.342 3.217 -6.942) 7.659 9.106 ( -4.615 -1.118 2.067) 5.179 9.106 ( -4.615 1.118 2.067) 5.179 9.265 ( -0.207 -6.778 -4.215) 7.985 9.265 ( -0.207 6.778 -4.215) 7.985 9.445 ( 1.568 -3.167 -2.582) 4.377 9.445 ( 1.568 3.167 -2.582) 4.377 9.718 ( -0.218 -5.711 -6.214) 8.442 9.718 ( -0.218 5.711 -6.214) 8.442 9.867 ( -2.067 -2.284 2.433) 3.925 9.867 ( -2.067 2.284 2.433) 3.925 9.982 ( -1.997 -7.596 0.755) 7.891 9.982 ( -1.997 7.596 0.755) 7.891 10.282 ( -6.013 -1.838 4.543) 7.757 10.282 ( -6.013 1.838 4.543) 7.757 10.316 ( -6.299 -4.290 -0.787) 7.662 10.316 ( -6.299 4.290 -0.787) 7.662 10.595 ( -10.828 -3.256 -1.463) 11.401 10.595 ( -10.828 3.256 -1.463) 11.401 11.620 ( -4.393 -0.516 -0.446) 4.446 11.620 ( -4.393 0.516 -0.446) 4.446 11.781 ( -5.162 -2.947 0.112) 5.945 11.781 ( -5.162 2.947 0.112) 5.945 11.979 ( -11.070 -9.787 -1.299) 14.833 11.979 ( -11.070 9.787 -1.299) 14.833 12.379 ( 4.573 -4.312 -2.924) 6.932 12.379 ( 4.573 4.312 -2.924) 6.932 12.547 ( 0.519 -10.610 -1.989) 10.807 12.547 ( 0.519 10.610 -1.989) 10.807 12.714 ( -2.562 -5.143 -7.481) 9.433 12.714 ( -2.562 5.143 -7.481) 9.433 12.929 ( 4.935 -5.078 -1.379) 7.214 12.929 ( 4.935 5.078 -1.379) 7.214 13.200 ( 0.298 -8.269 -1.798) 8.467 13.200 ( 0.298 8.269 -1.798) 8.467 13.468 ( 3.608 -0.897 -4.894) 6.147 13.468 ( 3.608 0.897 -4.894) 6.147 14.578 ( 1.954 -5.531 -6.580) 8.815 14.578 ( 1.954 5.531 -6.580) 8.815 15.411 ( 3.402 -3.187 -5.485) 7.199 15.411 ( 3.402 3.187 -5.485) 7.199 16.039 ( 0.051 -2.293 -3.638) 4.301 16.039 ( 0.051 2.293 -3.638) 4.301 20.545 ( 0.010 -2.149 -1.240) 2.481 20.545 ( 0.010 2.149 -1.240) 2.481 20.660 ( -1.058 -2.205 -2.482) 3.484 20.660 ( -1.058 2.205 -2.482) 3.484 21.605 ( 4.769 -0.807 -0.461) 4.858 21.605 ( 4.769 0.807 -0.461) 4.858 21.724 ( 2.982 -2.012 -0.863) 3.700 21.724 ( 2.982 2.012 -0.863) 3.700 21.813 ( 4.628 -1.651 -2.113) 5.349 21.813 ( 4.628 1.651 -2.113) 5.349 22.282 ( 3.426 -1.384 3.296) 4.951 22.282 ( 3.426 1.384 3.296) 4.951 22.369 ( 3.395 -2.223 4.236) 5.866 22.369 ( 3.395 2.223 4.236) 5.866 22.786 ( 8.940 -1.876 4.652) 10.252 22.786 ( 8.940 1.876 4.652) 10.252 23.044 ( 2.328 -0.892 5.696) 6.217 23.044 ( 2.328 0.892 5.696) 6.217 23.617 ( -6.167 -10.558 10.426) 16.069 23.617 ( -6.167 10.558 10.426) 16.069 24.324 ( -8.081 -14.020 -6.733) 17.527 24.324 ( -8.081 14.020 -6.733) 17.527 24.929 ( -5.119 -6.075 -7.587) 10.985 24.929 ( -5.119 6.075 -7.587) 10.985 25.527 ( 2.981 -0.207 -7.993) 8.533 25.527 ( 2.981 0.207 -7.993) 8.533 ======================= Grid point 49 (26/104) ======================= q-point: ( 0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -2.947 -32.844 -0.025) 32.976 1.648 ( -2.947 32.844 -0.025) 32.976 2.170 ( 14.902 -8.123 4.726) 17.618 2.170 ( 14.902 8.123 4.726) 17.618 2.397 ( 8.300 -1.286 -4.168) 9.377 2.397 ( 8.300 1.286 -4.168) 9.377 2.519 ( 7.977 -5.091 -7.600) 12.137 2.519 ( 7.977 5.091 -7.600) 12.137 2.674 ( 14.427 -5.539 -3.693) 15.889 2.674 ( 14.427 5.539 -3.693) 15.889 2.758 ( 2.344 -3.733 -1.297) 4.595 2.758 ( 2.344 3.733 -1.297) 4.595 2.871 ( 3.752 -6.501 4.915) 8.972 2.871 ( 3.752 6.501 4.915) 8.972 2.992 ( 7.563 -2.410 -1.972) 8.179 2.992 ( 7.563 2.410 -1.972) 8.179 3.143 ( 6.871 -4.563 6.284) 10.369 3.143 ( 6.871 4.563 6.284) 10.369 3.280 ( 4.422 -1.060 5.029) 6.780 3.280 ( 4.422 1.060 5.029) 6.780 3.328 ( 3.929 -3.322 6.847) 8.565 3.328 ( 3.929 3.322 6.847) 8.565 3.436 ( 10.887 -3.003 4.828) 12.282 3.436 ( 10.887 3.003 4.828) 12.282 3.560 ( 7.684 -2.877 0.017) 8.205 3.560 ( 7.684 2.877 0.017) 8.205 3.717 ( 3.146 -0.432 3.156) 4.477 3.717 ( 3.146 0.432 3.156) 4.477 3.810 ( 12.941 -3.087 9.219) 16.186 3.810 ( 12.941 3.087 9.219) 16.186 3.927 ( 5.272 -5.877 2.325) 8.230 3.927 ( 5.272 5.877 2.325) 8.230 3.995 ( 1.960 -3.250 0.958) 3.914 3.995 ( 1.960 3.250 0.958) 3.914 4.235 ( -3.075 -4.516 3.686) 6.591 4.235 ( -3.075 4.516 3.686) 6.591 4.333 ( 5.243 -2.965 0.632) 6.057 4.333 ( 5.243 2.965 0.632) 6.057 4.492 ( 2.546 -5.359 4.388) 7.379 4.492 ( 2.546 5.359 4.388) 7.379 4.559 ( 3.825 -8.309 4.055) 10.006 4.559 ( 3.825 8.309 4.055) 10.006 4.700 ( 4.995 -4.825 2.256) 7.302 4.700 ( 4.995 4.825 2.256) 7.302 4.720 ( 8.156 -7.284 0.787) 10.963 4.720 ( 8.156 7.284 0.787) 10.963 4.879 ( 4.090 -4.695 -0.267) 6.233 4.879 ( 4.090 4.695 -0.267) 6.233 4.919 ( 1.702 -2.807 -2.945) 4.410 4.919 ( 1.702 2.807 -2.945) 4.410 5.094 ( 5.393 -3.174 -0.001) 6.257 5.094 ( 5.393 3.174 -0.001) 6.257 5.134 ( 2.582 -6.178 -0.619) 6.724 5.134 ( 2.582 6.178 -0.619) 6.724 5.262 ( 2.614 -1.996 -2.189) 3.951 5.262 ( 2.614 1.996 -2.189) 3.951 5.435 ( -0.121 -4.285 -3.125) 5.305 5.435 ( -0.121 4.285 -3.125) 5.305 5.524 ( -2.521 -1.853 -1.741) 3.580 5.524 ( -2.521 1.853 -1.741) 3.580 5.646 ( -4.310 -5.186 -1.332) 6.873 5.646 ( -4.310 5.186 -1.332) 6.873 5.694 ( -2.284 -6.529 2.606) 7.391 5.694 ( -2.284 6.529 2.606) 7.391 5.768 ( 1.252 -3.788 1.582) 4.292 5.768 ( 1.252 3.788 1.582) 4.292 5.902 ( -3.268 -2.164 -0.589) 3.963 5.902 ( -3.268 2.164 -0.589) 3.963 6.039 ( 2.178 -0.746 -5.495) 5.957 6.039 ( 2.178 0.746 -5.495) 5.957 6.141 ( -4.042 -2.855 -7.427) 8.925 6.141 ( -4.042 2.855 -7.427) 8.925 6.266 ( 2.761 -5.454 -3.087) 6.848 6.266 ( 2.761 5.454 -3.087) 6.848 6.361 ( 1.874 -1.900 -1.442) 3.034 6.361 ( 1.874 1.900 -1.442) 3.034 6.439 ( 4.681 -2.168 -5.348) 7.431 6.439 ( 4.681 2.168 -5.348) 7.431 6.588 ( 2.044 -5.591 -0.844) 6.012 6.588 ( 2.044 5.591 -0.844) 6.012 6.787 ( 1.734 -0.804 2.169) 2.890 6.787 ( 1.734 0.804 2.169) 2.890 6.825 ( 0.879 -2.567 -1.103) 2.929 6.825 ( 0.879 2.567 -1.103) 2.929 6.975 ( 1.045 -6.084 5.123) 8.021 6.975 ( 1.045 6.084 5.123) 8.021 7.054 ( 4.396 -2.370 5.455) 7.396 7.054 ( 4.396 2.370 5.455) 7.396 7.189 ( 2.911 -3.390 3.601) 5.739 7.189 ( 2.911 3.390 3.601) 5.739 7.313 ( -0.657 -2.597 2.390) 3.590 7.313 ( -0.657 2.597 2.390) 3.590 7.408 ( -1.056 -5.194 5.864) 7.904 7.408 ( -1.056 5.194 5.864) 7.904 7.500 ( -1.467 -2.889 0.964) 3.381 7.500 ( -1.467 2.889 0.964) 3.381 7.622 ( -3.833 -1.739 -2.384) 4.838 7.622 ( -3.833 1.739 -2.384) 4.838 7.740 ( -1.275 -4.459 0.311) 4.648 7.740 ( -1.275 4.459 0.311) 4.648 7.907 ( -4.375 -5.534 -3.611) 7.925 7.907 ( -4.375 5.534 -3.611) 7.925 7.990 ( -3.120 -0.988 -5.247) 6.184 7.990 ( -3.120 0.988 -5.247) 6.184 8.128 ( -2.669 -2.285 -0.475) 3.546 8.128 ( -2.669 2.285 -0.475) 3.546 8.239 ( -2.082 -1.071 0.987) 2.541 8.239 ( -2.082 1.071 0.987) 2.541 8.366 ( -6.474 -4.152 -1.339) 7.807 8.366 ( -6.474 4.152 -1.339) 7.807 8.450 ( -3.765 -3.498 -2.212) 5.595 8.450 ( -3.765 3.498 -2.212) 5.595 8.639 ( -1.471 -9.991 -0.508) 10.112 8.639 ( -1.471 9.991 -0.508) 10.112 8.732 ( -1.789 -5.853 -4.446) 7.564 8.732 ( -1.789 5.853 -4.446) 7.564 8.866 ( 1.080 -3.580 -2.485) 4.489 8.866 ( 1.080 3.580 -2.485) 4.489 9.016 ( -6.116 -3.786 -0.245) 7.197 9.016 ( -6.116 3.786 -0.245) 7.197 9.193 ( -0.865 -11.284 -6.797) 13.201 9.193 ( -0.865 11.284 -6.797) 13.201 9.438 ( -0.626 -2.104 -2.246) 3.141 9.438 ( -0.626 2.104 -2.246) 3.141 9.622 ( -3.072 -5.788 -5.040) 8.267 9.622 ( -3.072 5.788 -5.040) 8.267 9.826 ( -3.176 -4.084 -2.273) 5.651 9.826 ( -3.176 4.084 -2.273) 5.651 9.927 ( -4.606 -5.511 -0.177) 7.185 9.927 ( -4.606 5.511 -0.177) 7.185 10.157 ( -7.807 -1.589 0.007) 7.967 10.157 ( -7.807 1.589 0.007) 7.967 10.238 ( -5.140 -4.346 1.873) 6.987 10.238 ( -5.140 4.346 1.873) 6.987 10.464 ( -5.535 -3.456 2.119) 6.861 10.464 ( -5.535 3.456 2.119) 6.861 11.523 ( -6.511 -4.193 0.621) 7.769 11.523 ( -6.511 4.193 0.621) 7.769 11.707 ( -3.461 -4.789 -0.863) 5.971 11.707 ( -3.461 4.789 -0.863) 5.971 11.856 ( -4.325 -15.172 1.581) 15.856 11.856 ( -4.325 15.172 1.581) 15.856 12.422 ( 3.252 -8.724 -2.316) 9.595 12.422 ( 3.252 8.724 -2.316) 9.595 12.529 ( -0.171 -10.674 -1.682) 10.807 12.529 ( -0.171 10.674 -1.682) 10.807 12.639 ( -0.683 -6.470 -2.288) 6.897 12.639 ( -0.683 6.470 -2.288) 6.897 13.008 ( 4.744 -2.344 0.310) 5.301 13.008 ( 4.744 2.344 0.310) 5.301 13.181 ( -0.445 -8.871 -1.771) 9.057 13.181 ( -0.445 8.871 -1.771) 9.057 13.482 ( 3.436 -2.635 -4.451) 6.210 13.482 ( 3.436 2.635 -4.451) 6.210 14.570 ( 2.942 -3.491 -4.088) 6.128 14.570 ( 2.942 3.491 -4.088) 6.128 15.424 ( 3.359 -4.587 -3.740) 6.805 15.424 ( 3.359 4.587 -3.740) 6.805 16.006 ( -0.149 -0.621 -2.696) 2.771 16.006 ( -0.149 0.621 -2.696) 2.771 20.542 ( 0.465 -1.858 -0.246) 1.931 20.542 ( 0.465 1.858 -0.246) 1.931 20.633 ( -0.314 -1.578 -0.876) 1.832 20.633 ( -0.314 1.578 -0.876) 1.832 21.675 ( 4.035 -0.686 -0.472) 4.120 21.675 ( 4.035 0.686 -0.472) 4.120 21.772 ( 3.034 -1.894 -0.047) 3.577 21.772 ( 3.034 1.894 -0.047) 3.577 21.871 ( 3.754 -1.130 -0.636) 3.972 21.871 ( 3.754 1.130 -0.636) 3.972 22.358 ( 2.457 -1.942 1.970) 3.700 22.358 ( 2.457 1.942 1.970) 3.700 22.447 ( 2.083 -1.789 2.380) 3.633 22.447 ( 2.083 1.789 2.380) 3.633 22.946 ( 6.817 -1.174 0.822) 6.966 22.946 ( 6.817 1.174 0.822) 6.966 23.121 ( 1.279 -1.097 3.466) 3.854 23.121 ( 1.279 1.097 3.466) 3.854 23.604 ( -4.043 -5.278 4.678) 8.129 23.604 ( -4.043 5.278 4.678) 8.129 24.170 ( -4.207 -9.049 -4.306) 10.869 24.170 ( -4.207 9.049 -4.306) 10.869 24.794 ( -3.617 -3.066 -4.821) 6.762 24.794 ( -3.617 3.066 -4.821) 6.762 25.490 ( 0.923 -0.980 -5.506) 5.668 25.490 ( 0.923 0.980 -5.506) 5.668 ======================= Grid point 51 (27/104) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -4.596 -49.576 3.541) 49.914 1.576 ( -4.596 49.576 3.541) 49.914 2.315 ( 5.071 -6.319 -6.195) 10.199 2.315 ( 5.071 6.319 -6.195) 10.199 2.438 ( 4.018 -2.325 -5.622) 7.291 2.438 ( 4.018 2.325 -5.622) 7.291 2.550 ( 4.658 -2.055 -5.135) 7.231 2.550 ( 4.658 2.055 -5.135) 7.231 2.681 ( -1.130 -7.007 -8.583) 11.137 2.681 ( -1.130 7.007 -8.583) 11.137 2.820 ( 4.836 -1.747 -6.768) 8.500 2.820 ( 4.836 1.747 -6.768) 8.500 2.973 ( 0.560 -1.144 5.382) 5.531 2.973 ( 0.560 1.144 5.382) 5.531 3.069 ( 4.721 -1.262 -2.849) 5.657 3.069 ( 4.721 1.262 -2.849) 5.657 3.272 ( 2.874 -4.276 2.187) 5.597 3.272 ( 2.874 4.276 2.187) 5.597 3.388 ( 1.637 -3.698 3.994) 5.683 3.388 ( 1.637 3.698 3.994) 5.683 3.571 ( 12.474 -2.840 2.816) 13.100 3.571 ( 12.474 2.840 2.816) 13.100 3.601 ( 3.788 -3.094 6.002) 7.742 3.601 ( 3.788 3.094 6.002) 7.742 3.683 ( 1.961 -6.781 -0.429) 7.072 3.683 ( 1.961 6.781 -0.429) 7.072 3.788 ( 6.740 -2.900 4.948) 8.850 3.788 ( 6.740 2.900 4.948) 8.850 4.007 ( 6.595 -0.907 4.492) 8.031 4.007 ( 6.595 0.907 4.492) 8.031 4.069 ( 1.733 -4.561 8.129) 9.480 4.069 ( 1.733 4.561 8.129) 9.480 4.143 ( 4.320 -4.091 4.335) 7.361 4.143 ( 4.320 4.091 4.335) 7.361 4.238 ( 1.016 -3.227 5.293) 6.282 4.238 ( 1.016 3.227 5.293) 6.282 4.396 ( 1.671 -7.640 2.381) 8.175 4.396 ( 1.671 7.640 2.381) 8.175 4.526 ( -2.314 -1.020 1.247) 2.820 4.526 ( -2.314 1.020 1.247) 2.820 4.634 ( 5.325 -5.826 2.139) 8.178 4.634 ( 5.325 5.826 2.139) 8.178 4.761 ( 3.301 -4.714 -1.418) 5.927 4.761 ( 3.301 4.714 -1.418) 5.927 4.817 ( -3.528 -3.337 1.485) 5.079 4.817 ( -3.528 3.337 1.485) 5.079 4.914 ( 3.326 -0.854 -2.095) 4.022 4.914 ( 3.326 0.854 -2.095) 4.022 4.965 ( 2.761 -0.605 2.025) 3.476 4.965 ( 2.761 0.605 2.025) 3.476 5.094 ( -2.804 -3.666 0.464) 4.639 5.094 ( -2.804 3.666 0.464) 4.639 5.145 ( -4.994 -1.283 -2.981) 5.956 5.145 ( -4.994 1.283 -2.981) 5.956 5.310 ( 0.717 -5.332 -0.991) 5.470 5.310 ( 0.717 5.332 -0.991) 5.470 5.358 ( 2.161 -5.086 0.655) 5.565 5.358 ( 2.161 5.086 0.655) 5.565 5.442 ( -3.564 -7.097 -1.980) 8.185 5.442 ( -3.564 7.097 -1.980) 8.185 5.575 ( -4.851 -0.111 -0.859) 4.928 5.575 ( -4.851 0.111 -0.859) 4.928 5.656 ( -4.271 -3.020 0.464) 5.251 5.656 ( -4.271 3.020 0.464) 5.251 5.693 ( 5.504 -2.413 -3.125) 6.774 5.693 ( 5.504 2.413 -3.125) 6.774 5.882 ( -0.789 -4.105 -2.510) 4.876 5.882 ( -0.789 4.105 -2.510) 4.876 5.987 ( 1.226 -5.615 0.172) 5.749 5.987 ( 1.226 5.615 0.172) 5.749 6.123 ( 1.182 -1.935 -2.158) 3.130 6.123 ( 1.182 1.935 -2.158) 3.130 6.337 ( 4.564 -5.105 -1.492) 7.008 6.337 ( 4.564 5.105 -1.492) 7.008 6.472 ( 2.079 -4.697 -2.494) 5.710 6.472 ( 2.079 4.697 -2.494) 5.710 6.541 ( 9.844 -1.382 -4.267) 10.818 6.541 ( 9.844 1.382 -4.267) 10.818 6.713 ( 13.436 -1.286 5.260) 14.486 6.713 ( 13.436 1.286 5.260) 14.486 6.788 ( -0.789 -3.649 -3.284) 4.972 6.788 ( -0.789 3.649 -3.284) 4.972 6.848 ( 1.282 -6.428 0.172) 6.557 6.848 ( 1.282 6.428 0.172) 6.557 7.007 ( -0.932 -6.524 0.027) 6.590 7.007 ( -0.932 6.524 0.027) 6.590 7.144 ( 0.887 -2.977 1.410) 3.411 7.144 ( 0.887 2.977 1.410) 3.411 7.231 ( 2.776 -4.515 -2.885) 6.034 7.231 ( 2.776 4.515 -2.885) 6.034 7.358 ( -3.790 -0.400 2.629) 4.630 7.358 ( -3.790 0.400 2.629) 4.630 7.419 ( -0.013 -3.328 0.744) 3.410 7.419 ( -0.013 3.328 0.744) 3.410 7.508 ( 3.926 -2.938 7.472) 8.938 7.508 ( 3.926 2.938 7.472) 8.938 7.589 ( -5.668 -5.257 0.487) 7.746 7.589 ( -5.668 5.257 0.487) 7.746 7.697 ( -2.636 -1.810 0.599) 3.253 7.697 ( -2.636 1.810 0.599) 3.253 7.800 ( -3.412 -5.483 3.336) 7.269 7.800 ( -3.412 5.483 3.336) 7.269 7.884 ( -1.181 -3.445 -5.219) 6.364 7.884 ( -1.181 3.445 -5.219) 6.364 8.053 ( -4.903 -8.370 -1.472) 9.812 8.053 ( -4.903 8.370 -1.472) 9.812 8.206 ( -3.935 -3.325 0.220) 5.156 8.206 ( -3.935 3.325 0.220) 5.156 8.292 ( -3.473 -4.297 0.978) 5.611 8.292 ( -3.473 4.297 0.978) 5.611 8.381 ( -1.945 -4.822 0.969) 5.289 8.381 ( -1.945 4.822 0.969) 5.289 8.611 ( -0.400 -5.914 -2.659) 6.497 8.611 ( -0.400 5.914 -2.659) 6.497 8.705 ( 3.550 -2.755 -2.734) 5.260 8.705 ( 3.550 2.755 -2.734) 5.260 8.817 ( -3.917 -0.878 -1.408) 4.254 8.817 ( -3.917 0.878 -1.408) 4.254 8.937 ( -2.924 -5.342 0.585) 6.118 8.937 ( -2.924 5.342 0.585) 6.118 9.166 ( 3.594 -8.357 -1.867) 9.287 9.166 ( 3.594 8.357 -1.867) 9.287 9.390 ( -1.600 -2.480 -2.219) 3.692 9.390 ( -1.600 2.480 -2.219) 3.692 9.545 ( -1.420 -3.905 -2.173) 4.689 9.545 ( -1.420 3.905 -2.173) 4.689 9.744 ( -2.020 -3.447 -2.849) 4.908 9.744 ( -2.020 3.447 -2.849) 4.908 9.861 ( -2.320 -3.951 -0.758) 4.644 9.861 ( -2.320 3.951 -0.758) 4.644 10.051 ( -4.212 -2.204 -1.571) 5.007 10.051 ( -4.212 2.204 -1.571) 5.007 10.185 ( -3.574 -5.951 2.704) 7.450 10.185 ( -3.574 5.951 2.704) 7.450 10.411 ( -3.242 -2.387 0.996) 4.147 10.411 ( -3.242 2.387 0.996) 4.147 11.442 ( -3.844 -6.071 1.442) 7.329 11.442 ( -3.844 6.071 1.442) 7.329 11.665 ( -1.564 -3.015 1.271) 3.626 11.665 ( -1.564 3.015 1.271) 3.626 11.818 ( -2.367 -13.299 0.875) 13.536 11.818 ( -2.367 13.299 0.875) 13.536 12.447 ( 2.333 -11.958 -1.699) 12.302 12.447 ( 2.333 11.958 -1.699) 12.302 12.519 ( 0.069 -9.558 0.021) 9.558 12.519 ( 0.069 9.558 0.021) 9.558 12.632 ( 0.486 -6.459 0.159) 6.479 12.632 ( 0.486 6.459 0.159) 6.479 13.087 ( 3.339 -1.936 1.732) 4.230 13.087 ( 3.339 1.936 1.732) 4.230 13.156 ( -0.715 -8.307 -0.978) 8.395 13.156 ( -0.715 8.307 -0.978) 8.395 13.503 ( 3.171 -3.829 -2.552) 5.589 13.503 ( 3.171 3.829 -2.552) 5.589 14.594 ( 2.928 -2.288 -1.450) 3.989 14.594 ( 2.928 2.288 -1.450) 3.989 15.451 ( 2.871 -5.377 -1.555) 6.291 15.451 ( 2.871 5.377 -1.555) 6.291 15.988 ( 0.439 -0.829 -1.278) 1.586 15.988 ( 0.439 0.829 -1.278) 1.586 20.554 ( 0.512 -1.843 0.941) 2.131 20.554 ( 0.512 1.843 0.941) 2.131 20.631 ( 0.174 -1.007 0.464) 1.122 20.631 ( 0.174 1.007 0.464) 1.122 21.729 ( 2.613 -0.799 0.045) 2.733 21.729 ( 2.613 0.799 0.045) 2.733 21.818 ( 1.884 -1.439 0.745) 2.485 21.818 ( 1.884 1.439 0.745) 2.485 21.924 ( 2.354 -1.120 0.983) 2.786 21.924 ( 2.354 1.120 0.983) 2.786 22.397 ( 0.611 -2.132 0.479) 2.269 22.397 ( 0.611 2.132 0.479) 2.269 22.486 ( 0.813 -1.573 0.942) 2.006 22.486 ( 0.813 1.573 0.942) 2.006 23.025 ( 3.778 -0.816 -3.105) 4.957 23.025 ( 3.778 0.816 -3.105) 4.957 23.146 ( -0.541 -0.940 0.328) 1.133 23.146 ( -0.541 0.940 0.328) 1.133 23.565 ( -3.109 -2.624 -0.711) 4.130 23.565 ( -3.109 2.624 -0.711) 4.130 24.096 ( -1.023 -6.630 -2.227) 7.069 24.096 ( -1.023 6.630 -2.227) 7.069 24.722 ( -0.868 -0.654 -2.114) 2.377 24.722 ( -0.868 0.654 -2.114) 2.377 25.470 ( 1.471 -1.944 -2.277) 3.336 25.470 ( 1.471 1.944 -2.277) 3.336 ======================= Grid point 53 (28/104) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 1.240 -49.391 8.742) 50.174 1.608 ( 1.240 49.391 8.742) 50.174 2.299 ( 3.201 -8.132 -10.423) 13.602 2.299 ( 3.201 8.132 -10.423) 13.602 2.463 ( 4.230 -2.615 -3.252) 5.942 2.463 ( 4.230 2.615 -3.252) 5.942 2.525 ( -3.150 -2.203 -8.355) 9.197 2.525 ( -3.150 2.203 -8.355) 9.197 2.639 ( 6.218 -0.630 -7.342) 9.642 2.639 ( 6.218 0.630 -7.342) 9.642 2.693 ( -7.217 -1.699 -11.247) 13.471 2.693 ( -7.217 1.699 -11.247) 13.471 2.967 ( -1.708 -2.625 -3.408) 4.629 2.967 ( -1.708 2.625 -3.408) 4.629 3.076 ( -3.308 -1.957 1.981) 4.324 3.076 ( -3.308 1.957 1.981) 4.324 3.289 ( -2.075 -4.021 0.426) 4.545 3.289 ( -2.075 4.021 0.426) 4.545 3.420 ( -1.895 -3.411 2.981) 4.910 3.420 ( -1.895 3.411 2.981) 4.910 3.613 ( -1.734 -3.010 -0.456) 3.504 3.613 ( -1.734 3.010 -0.456) 3.504 3.703 ( 1.889 -2.225 1.770) 3.413 3.703 ( 1.889 2.225 1.770) 3.413 3.780 ( 0.202 -4.943 4.400) 6.621 3.780 ( 0.202 4.943 4.400) 6.621 3.926 ( 4.989 -3.708 -0.321) 6.224 3.926 ( 4.989 3.708 -0.321) 6.224 4.048 ( -7.660 -2.502 1.955) 8.292 4.048 ( -7.660 2.502 1.955) 8.292 4.070 ( -10.154 -5.220 10.781) 15.703 4.070 ( -10.154 5.220 10.781) 15.703 4.158 ( -2.779 -3.454 1.120) 4.572 4.158 ( -2.779 3.454 1.120) 4.572 4.281 ( -6.134 -5.013 4.216) 8.974 4.281 ( -6.134 5.013 4.216) 8.974 4.410 ( -1.741 -3.769 -1.808) 4.528 4.410 ( -1.741 3.769 -1.808) 4.528 4.501 ( 2.306 -2.144 -0.673) 3.220 4.501 ( 2.306 2.144 -0.673) 3.220 4.719 ( -0.980 -5.364 -1.643) 5.695 4.719 ( -0.980 5.364 -1.643) 5.695 4.745 ( -3.151 -8.053 4.074) 9.559 4.745 ( -3.151 8.053 4.074) 9.559 4.776 ( -0.583 -7.804 -1.110) 7.904 4.776 ( -0.583 7.804 -1.110) 7.904 4.940 ( 2.548 -2.760 -0.358) 3.773 4.940 ( 2.548 2.760 -0.358) 3.773 5.027 ( 1.156 -3.630 1.046) 3.951 5.027 ( 1.156 3.630 1.046) 3.951 5.099 ( -0.112 -4.061 4.850) 6.327 5.099 ( -0.112 4.061 4.850) 6.327 5.120 ( 3.849 -5.205 2.373) 6.895 5.120 ( 3.849 5.205 2.373) 6.895 5.301 ( 2.418 -8.049 -0.524) 8.421 5.301 ( 2.418 8.049 -0.524) 8.421 5.383 ( 3.051 -1.261 3.583) 4.872 5.383 ( 3.051 1.261 3.583) 4.872 5.446 ( 1.827 -6.907 2.471) 7.560 5.446 ( 1.827 6.907 2.471) 7.560 5.543 ( -4.128 -0.681 0.339) 4.197 5.543 ( -4.128 0.681 0.339) 4.197 5.624 ( -1.588 -4.575 -0.598) 4.879 5.624 ( -1.588 4.575 -0.598) 4.879 5.790 ( 5.562 -3.735 -0.706) 6.737 5.790 ( 5.562 3.735 -0.706) 6.737 5.897 ( 5.617 -5.385 1.481) 7.921 5.897 ( 5.617 5.385 1.481) 7.921 6.013 ( 3.337 -3.618 -0.517) 4.949 6.013 ( 3.337 3.618 -0.517) 4.949 6.127 ( 0.400 -1.957 -0.521) 2.064 6.127 ( 0.400 1.957 -0.521) 2.064 6.316 ( -1.163 -7.808 -2.728) 8.352 6.316 ( -1.163 7.808 -2.728) 8.352 6.463 ( -0.832 -5.610 -0.596) 5.703 6.463 ( -0.832 5.610 -0.596) 5.703 6.616 ( 5.402 -1.875 -7.174) 9.174 6.616 ( 5.402 1.875 -7.174) 9.174 6.712 ( -2.088 -1.346 -3.461) 4.260 6.712 ( -2.088 1.346 -3.461) 4.260 6.804 ( -2.354 -3.734 -0.726) 4.473 6.804 ( -2.354 3.734 -0.726) 4.473 6.936 ( -4.022 -2.844 -2.950) 5.741 6.936 ( -4.022 2.844 -2.950) 5.741 6.961 ( 3.841 -2.398 -3.162) 5.523 6.961 ( 3.841 2.398 -3.162) 5.523 7.115 ( -6.255 -4.800 -1.623) 8.050 7.115 ( -6.255 4.800 -1.623) 8.050 7.212 ( -0.934 -2.277 -1.104) 2.697 7.212 ( -0.934 2.277 -1.104) 2.697 7.328 ( -5.247 -3.527 -0.654) 6.356 7.328 ( -5.247 3.527 -0.654) 6.356 7.381 ( -0.989 -4.041 -1.807) 4.535 7.381 ( -0.989 4.041 -1.807) 4.535 7.499 ( -2.669 -4.696 2.403) 5.912 7.499 ( -2.669 4.696 2.403) 5.912 7.604 ( -1.593 -2.615 -0.669) 3.134 7.604 ( -1.593 2.615 -0.669) 3.134 7.709 ( 3.975 -5.757 8.738) 11.194 7.709 ( 3.975 5.757 8.738) 11.194 7.809 ( -1.437 -4.030 3.416) 5.475 7.809 ( -1.437 4.030 3.416) 5.475 7.921 ( 4.750 -2.087 2.875) 5.932 7.921 ( 4.750 2.087 2.875) 5.932 8.029 ( 5.022 -6.492 0.773) 8.244 8.029 ( 5.022 6.492 0.773) 8.244 8.152 ( -3.389 -4.102 1.114) 5.436 8.152 ( -3.389 4.102 1.114) 5.436 8.259 ( 1.759 -2.749 0.167) 3.268 8.259 ( 1.759 2.749 0.167) 3.268 8.362 ( -3.165 -5.306 -1.353) 6.325 8.362 ( -3.165 5.306 -1.353) 6.325 8.564 ( 0.867 -6.285 -3.056) 7.042 8.564 ( 0.867 6.285 -3.056) 7.042 8.759 ( 1.283 -3.925 0.436) 4.152 8.759 ( 1.283 3.925 0.436) 4.152 8.800 ( 2.541 -1.949 0.508) 3.242 8.800 ( 2.541 1.949 0.508) 3.242 8.973 ( 4.657 -5.947 5.725) 9.478 8.973 ( 4.657 5.947 5.725) 9.478 9.245 ( 4.722 -3.077 0.682) 5.677 9.245 ( 4.722 3.077 0.682) 5.677 9.365 ( 1.191 -5.362 -1.387) 5.665 9.365 ( 1.191 5.362 -1.387) 5.665 9.553 ( 3.217 -2.675 1.025) 4.307 9.553 ( 3.217 2.675 1.025) 4.307 9.729 ( 2.374 -5.755 -1.072) 6.317 9.729 ( 2.374 5.755 -1.072) 6.317 9.833 ( 0.281 -2.434 -1.220) 2.738 9.833 ( 0.281 2.434 -1.220) 2.738 9.991 ( -0.341 -5.166 -2.083) 5.581 9.991 ( -0.341 5.166 -2.083) 5.581 10.167 ( -1.355 -6.141 1.958) 6.587 10.167 ( -1.355 6.141 1.958) 6.587 10.368 ( -1.607 -1.848 -1.115) 2.691 10.368 ( -1.607 1.848 -1.115) 2.691 11.422 ( -0.456 -5.563 1.775) 5.857 11.422 ( -0.456 5.563 1.775) 5.857 11.675 ( 0.151 -4.335 2.222) 4.874 11.675 ( 0.151 4.335 2.222) 4.874 11.793 ( -1.026 -15.664 0.747) 15.715 11.793 ( -1.026 15.664 0.747) 15.715 12.469 ( 1.700 -9.356 -1.066) 9.569 12.469 ( 1.700 9.356 -1.066) 9.569 12.532 ( 0.444 -7.399 1.875) 7.646 12.532 ( 0.444 7.399 1.875) 7.646 12.650 ( 0.751 -7.740 1.648) 7.949 12.650 ( 0.751 7.740 1.648) 7.949 13.128 ( -1.503 -3.659 2.262) 4.557 13.128 ( -1.503 3.659 2.262) 4.557 13.166 ( 2.490 -7.821 1.368) 8.321 13.166 ( 2.490 7.821 1.368) 8.321 13.538 ( 2.429 -4.539 -0.270) 5.156 13.538 ( 2.429 4.539 -0.270) 5.156 14.636 ( 2.324 -2.199 0.937) 3.334 14.636 ( 2.324 2.199 0.937) 3.334 15.488 ( 2.066 -5.455 0.444) 5.850 15.488 ( 2.066 5.455 0.444) 5.850 15.999 ( 1.546 -0.671 0.108) 1.688 15.999 ( 1.546 0.671 0.108) 1.688 20.575 ( 0.229 -1.639 2.067) 2.648 20.575 ( 0.229 1.639 2.067) 2.648 20.647 ( 0.514 -0.826 1.648) 1.914 20.647 ( 0.514 0.826 1.648) 1.914 21.762 ( 0.698 -0.923 0.769) 1.389 21.762 ( 0.698 0.923 0.769) 1.389 21.847 ( 0.238 -1.074 1.594) 1.937 21.847 ( 0.238 1.074 1.594) 1.937 21.966 ( 0.558 -1.462 2.647) 3.075 21.966 ( 0.558 1.462 2.647) 3.075 22.382 ( -1.620 -1.722 -1.982) 3.085 22.382 ( -1.620 1.722 -1.982) 3.085 22.497 ( -0.557 -1.174 0.939) 1.603 22.497 ( -0.557 1.174 0.939) 1.603 23.013 ( 0.371 -1.237 -6.641) 6.766 23.013 ( 0.371 1.237 -6.641) 6.766 23.109 ( -2.363 -0.399 -2.601) 3.537 23.109 ( -2.363 0.399 -2.601) 3.537 23.479 ( -3.482 -1.631 -5.894) 7.037 23.479 ( -3.482 1.631 -5.894) 7.037 24.091 ( 1.986 -6.397 -0.652) 6.730 24.091 ( 1.986 6.397 -0.652) 6.730 24.726 ( 2.476 -0.751 0.077) 2.588 24.726 ( 2.476 0.751 0.077) 2.588 25.502 ( 3.251 -2.141 0.688) 3.953 25.502 ( 3.251 2.141 0.688) 3.953 ======================= Grid point 55 (29/104) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 1.146 -34.309 6.601) 34.957 1.727 ( 1.146 34.309 6.601) 34.957 2.124 ( -11.711 -3.898 -20.200) 23.672 2.124 ( -11.711 3.898 -20.200) 23.672 2.320 ( -8.693 -1.479 -8.869) 12.506 2.320 ( -8.693 1.479 -8.869) 12.506 2.401 ( -6.784 -6.014 -10.158) 13.615 2.401 ( -6.784 6.014 -10.158) 13.615 2.570 ( 5.019 -1.121 -0.608) 5.178 2.570 ( 5.019 1.121 -0.608) 5.178 2.708 ( 4.466 -2.905 -1.219) 5.466 2.708 ( 4.466 2.905 -1.219) 5.466 2.882 ( -0.474 -2.038 -6.450) 6.781 2.882 ( -0.474 2.038 -6.450) 6.781 3.020 ( -4.734 -6.890 0.297) 8.365 3.020 ( -4.734 6.890 0.297) 8.365 3.221 ( -5.768 -7.913 1.703) 9.940 3.221 ( -5.768 7.913 1.703) 9.940 3.395 ( -3.683 -9.770 0.091) 10.442 3.395 ( -3.683 9.770 0.091) 10.442 3.485 ( -14.862 -0.618 -0.362) 14.880 3.485 ( -14.862 0.618 -0.362) 14.880 3.665 ( -4.594 -3.654 0.760) 5.919 3.665 ( -4.594 3.654 0.760) 5.919 3.735 ( -8.008 -3.209 0.976) 8.682 3.735 ( -8.008 3.209 0.976) 8.682 3.832 ( -12.860 -0.277 5.229) 13.885 3.832 ( -12.860 0.277 5.229) 13.885 3.935 ( -8.580 -6.051 3.225) 10.983 3.935 ( -8.580 6.051 3.225) 10.983 4.054 ( -8.576 -3.837 1.934) 9.593 4.054 ( -8.576 3.837 1.934) 9.593 4.119 ( -7.295 -4.700 6.378) 10.769 4.119 ( -7.295 4.700 6.378) 10.769 4.173 ( 1.719 -2.947 -1.649) 3.789 4.173 ( 1.719 2.947 -1.649) 3.789 4.314 ( -5.419 -6.712 -1.951) 8.844 4.314 ( -5.419 6.712 -1.951) 8.844 4.519 ( -7.539 -1.701 -3.029) 8.300 4.519 ( -7.539 1.701 -3.029) 8.300 4.661 ( -0.937 -2.870 -0.031) 3.020 4.661 ( -0.937 2.870 -0.031) 3.020 4.699 ( -3.571 -3.589 0.707) 5.112 4.699 ( -3.571 3.589 0.707) 5.112 4.751 ( -3.036 -2.689 -0.804) 4.134 4.751 ( -3.036 2.689 -0.804) 4.134 4.892 ( -2.714 -1.819 -0.969) 3.408 4.892 ( -2.714 1.819 -0.969) 3.408 5.004 ( -2.198 -1.296 -4.301) 5.001 5.004 ( -2.198 1.296 -4.301) 5.001 5.138 ( -4.532 -4.632 2.357) 6.896 5.138 ( -4.532 4.632 2.357) 6.896 5.223 ( 3.313 -4.208 -0.280) 5.363 5.223 ( 3.313 4.208 -0.280) 5.363 5.324 ( 1.302 -4.247 -0.522) 4.473 5.324 ( 1.302 4.247 -0.522) 4.473 5.433 ( -3.186 -3.510 1.500) 4.972 5.433 ( -3.186 3.510 1.500) 4.972 5.505 ( 5.228 -8.007 2.172) 9.806 5.505 ( 5.228 8.007 2.172) 9.806 5.534 ( 3.324 -2.371 4.913) 6.388 5.534 ( 3.324 2.371 4.913) 6.388 5.692 ( 8.417 -4.251 3.863) 10.190 5.692 ( 8.417 4.251 3.863) 10.190 5.865 ( 0.919 -0.574 2.458) 2.686 5.865 ( 0.919 0.574 2.458) 2.686 5.974 ( -4.641 -6.428 5.472) 9.634 5.974 ( -4.641 6.428 5.472) 9.634 6.153 ( 11.080 -3.928 7.053) 13.709 6.153 ( 11.080 3.928 7.053) 13.709 6.210 ( 7.310 -1.417 2.389) 7.820 6.210 ( 7.310 1.417 2.389) 7.820 6.301 ( -0.349 -5.180 -3.905) 6.497 6.301 ( -0.349 5.180 -3.905) 6.497 6.424 ( -3.233 -7.265 1.090) 8.026 6.424 ( -3.233 7.265 1.090) 8.026 6.582 ( 1.554 -1.334 -2.988) 3.622 6.582 ( 1.554 1.334 -2.988) 3.622 6.671 ( -3.672 -3.124 -2.131) 5.271 6.671 ( -3.672 3.124 -2.131) 5.271 6.726 ( -4.322 -1.196 -4.919) 6.656 6.726 ( -4.322 1.196 -4.919) 6.656 6.799 ( -4.878 -1.991 0.632) 5.307 6.799 ( -4.878 1.991 0.632) 5.307 6.916 ( -4.624 -1.203 -2.524) 5.404 6.916 ( -4.624 1.203 -2.524) 5.404 6.977 ( -2.697 -3.129 -1.298) 4.330 6.977 ( -2.697 3.129 -1.298) 4.330 7.148 ( -4.379 -5.375 -1.704) 7.139 7.148 ( -4.379 5.375 -1.704) 7.139 7.217 ( -3.282 -4.448 -2.958) 6.269 7.217 ( -3.282 4.448 -2.958) 6.269 7.360 ( 1.849 -2.458 0.175) 3.081 7.360 ( 1.849 2.458 0.175) 3.081 7.535 ( -1.622 -4.250 0.536) 4.581 7.535 ( -1.622 4.250 0.536) 4.581 7.577 ( 3.130 -2.920 2.372) 4.893 7.577 ( 3.130 2.920 2.372) 4.893 7.781 ( -2.427 -6.007 2.576) 6.972 7.781 ( -2.427 6.007 2.576) 6.972 7.931 ( 4.229 -1.805 1.244) 4.764 7.931 ( 4.229 1.805 1.244) 4.764 8.024 ( 7.518 -5.650 2.477) 9.725 8.024 ( 7.518 5.650 2.477) 9.725 8.113 ( 1.191 -3.281 0.831) 3.588 8.113 ( 1.191 3.281 0.831) 3.588 8.178 ( 4.232 -4.335 2.074) 6.403 8.178 ( 4.232 4.335 2.074) 6.403 8.279 ( 3.894 -3.131 0.478) 5.020 8.279 ( 3.894 3.131 0.478) 5.020 8.387 ( 6.696 -2.629 0.047) 7.194 8.387 ( 6.696 2.629 0.047) 7.194 8.582 ( 1.929 -8.042 -0.420) 8.281 8.582 ( 1.929 8.042 -0.420) 8.281 8.741 ( -1.540 -8.771 -1.677) 9.061 8.741 ( -1.540 8.771 -1.677) 9.061 8.881 ( 3.897 -2.884 1.747) 5.154 8.881 ( 3.897 2.884 1.747) 5.154 9.127 ( 3.876 -3.132 8.120) 9.527 9.127 ( 3.876 3.132 8.120) 9.527 9.273 ( 1.396 -4.002 -5.635) 7.051 9.273 ( 1.396 4.002 -5.635) 7.051 9.441 ( 5.047 -7.770 3.838) 10.029 9.441 ( 5.047 7.770 3.838) 10.029 9.627 ( 4.826 -2.410 -2.807) 6.081 9.627 ( 4.826 2.410 -2.807) 6.081 9.777 ( 3.164 -4.393 0.372) 5.427 9.777 ( 3.164 4.393 0.372) 5.427 9.887 ( 6.009 -1.928 1.476) 6.481 9.887 ( 6.009 1.928 1.476) 6.481 10.005 ( 3.776 -7.421 -0.914) 8.377 10.005 ( 3.776 7.421 -0.914) 8.377 10.181 ( 2.079 -4.337 0.335) 4.821 10.181 ( 2.079 4.337 0.335) 4.821 10.349 ( 1.684 -5.183 -1.760) 5.727 10.349 ( 1.684 5.183 -1.760) 5.727 11.462 ( 3.554 -3.908 1.525) 5.498 11.462 ( 3.554 3.908 1.525) 5.498 11.679 ( 0.050 -3.972 -2.012) 4.453 11.679 ( 0.050 3.972 -2.012) 4.453 11.825 ( 1.513 -17.658 4.785) 18.358 11.825 ( 1.513 17.658 4.785) 18.358 12.480 ( 0.414 -3.673 -0.314) 3.710 12.480 ( 0.414 3.673 -0.314) 3.710 12.568 ( 1.137 -8.263 2.497) 8.707 12.568 ( 1.137 8.263 2.497) 8.707 12.699 ( 2.306 -11.514 3.879) 12.366 12.699 ( 2.306 11.514 3.879) 12.366 13.124 ( -2.424 -4.203 4.343) 6.511 13.124 ( -2.424 4.203 4.343) 6.511 13.220 ( 1.329 -8.518 2.540) 8.988 13.220 ( 1.329 8.518 2.540) 8.988 13.570 ( 0.636 -4.737 0.916) 4.867 13.570 ( 0.636 4.737 0.916) 4.867 14.686 ( 1.529 -3.004 2.500) 4.197 14.686 ( 1.529 3.004 2.500) 4.197 15.526 ( 1.054 -4.661 1.661) 5.059 15.526 ( 1.054 4.661 1.661) 5.059 16.039 ( 2.401 -1.274 0.970) 2.886 16.039 ( 2.401 1.274 0.970) 2.886 20.599 ( -0.232 -1.382 2.795) 3.127 20.599 ( -0.232 1.382 2.795) 3.127 20.680 ( 0.991 -1.286 2.641) 3.100 20.680 ( 0.991 1.286 2.641) 3.100 21.762 ( -1.831 -1.049 1.169) 2.413 21.762 ( -1.831 1.049 1.169) 2.413 21.859 ( -1.099 -2.320 2.669) 3.703 21.859 ( -1.099 2.320 2.669) 3.703 21.995 ( -1.015 -1.830 4.428) 4.898 21.995 ( -1.015 1.830 4.428) 4.898 22.310 ( -3.188 -1.172 -4.084) 5.311 22.310 ( -3.188 1.172 -4.084) 5.311 22.479 ( -2.941 -1.238 0.790) 3.287 22.479 ( -2.941 1.238 0.790) 3.287 22.913 ( -3.221 -3.284 -8.699) 9.840 22.913 ( -3.221 3.284 -8.699) 9.840 23.026 ( -3.160 -0.066 -4.529) 5.523 23.026 ( -3.160 0.066 -4.529) 5.523 23.335 ( -4.294 -1.637 -10.406) 11.376 23.335 ( -4.294 1.637 -10.406) 11.376 24.148 ( 5.099 -8.173 0.186) 9.635 24.148 ( 5.099 8.173 0.186) 9.635 24.804 ( 5.878 -3.581 1.326) 7.010 24.804 ( 5.878 3.581 1.326) 7.010 25.587 ( 4.750 -1.749 2.493) 5.642 25.587 ( 4.750 1.749 2.493) 5.642 ======================= Grid point 57 (30/104) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -19.016 -9.237 -14.113) 25.419 1.589 ( -19.016 9.237 -14.113) 25.419 1.716 ( -15.158 -5.001 -11.456) 19.647 1.716 ( -15.158 5.001 -11.456) 19.647 1.936 ( -21.150 -23.510 -0.917) 31.637 1.936 ( -21.150 23.510 -0.917) 31.637 2.235 ( -4.473 -15.142 -11.403) 19.476 2.235 ( -4.473 15.142 -11.403) 19.476 2.656 ( 0.303 -1.577 1.323) 2.080 2.656 ( 0.303 1.577 1.323) 2.080 2.782 ( 6.575 -3.393 0.892) 7.452 2.782 ( 6.575 3.393 0.892) 7.452 2.895 ( 1.776 -0.573 0.202) 1.877 2.895 ( 1.776 0.573 0.202) 1.877 2.946 ( -1.761 -4.646 -2.338) 5.491 2.946 ( -1.761 4.646 -2.338) 5.491 3.065 ( -22.391 -0.929 -2.824) 22.588 3.065 ( -22.391 0.929 -2.824) 22.588 3.153 ( -15.372 -8.983 0.406) 17.809 3.153 ( -15.372 8.983 0.406) 17.809 3.298 ( -10.030 -5.135 0.398) 11.275 3.298 ( -10.030 5.135 0.398) 11.275 3.467 ( -15.268 -8.582 -4.479) 18.078 3.467 ( -15.268 8.582 -4.479) 18.078 3.635 ( -6.090 -3.111 -0.177) 6.840 3.635 ( -6.090 3.111 -0.177) 6.840 3.707 ( -6.953 -5.516 6.916) 11.252 3.707 ( -6.953 5.516 6.916) 11.252 3.748 ( -12.160 -6.318 1.408) 13.776 3.748 ( -12.160 6.318 1.408) 13.776 3.892 ( -6.078 -4.514 2.935) 8.120 3.892 ( -6.078 4.514 2.935) 8.120 4.107 ( -1.723 -4.230 0.359) 4.581 4.107 ( -1.723 4.230 0.359) 4.581 4.175 ( -2.042 -2.924 -2.722) 4.486 4.175 ( -2.042 2.924 -2.722) 4.486 4.216 ( -4.105 -5.263 -3.061) 7.343 4.216 ( -4.105 5.263 -3.061) 7.343 4.319 ( -5.062 -1.226 -2.591) 5.817 4.319 ( -5.062 1.226 -2.591) 5.817 4.517 ( -11.703 -7.724 1.139) 14.068 4.517 ( -11.703 7.724 1.139) 14.068 4.636 ( -6.203 -0.778 -0.678) 6.288 4.636 ( -6.203 0.778 -0.678) 6.288 4.829 ( 5.623 -1.376 3.965) 7.016 4.829 ( 5.623 1.376 3.965) 7.016 4.879 ( -2.278 -3.532 -1.656) 4.518 4.879 ( -2.278 3.532 -1.656) 4.518 4.918 ( -1.157 -4.280 -2.085) 4.900 4.918 ( -1.157 4.280 -2.085) 4.900 5.038 ( -4.274 -7.373 2.101) 8.777 5.038 ( -4.274 7.373 2.101) 8.777 5.203 ( -5.063 -5.132 -2.007) 7.484 5.203 ( -5.063 5.132 -2.007) 7.484 5.341 ( -1.257 -4.462 -2.053) 5.070 5.341 ( -1.257 4.462 -2.053) 5.070 5.390 ( -3.512 -4.750 1.130) 6.014 5.390 ( -3.512 4.750 1.130) 6.014 5.532 ( -2.557 -9.882 3.208) 10.700 5.532 ( -2.557 9.882 3.208) 10.700 5.658 ( -3.540 -6.904 5.716) 9.637 5.658 ( -3.540 6.904 5.716) 9.637 5.762 ( -5.270 -1.719 3.086) 6.344 5.762 ( -5.270 1.719 3.086) 6.344 5.897 ( -1.198 -4.568 0.828) 4.794 5.897 ( -1.198 4.568 0.828) 4.794 5.955 ( 4.928 -6.525 5.285) 9.736 5.955 ( 4.928 6.525 5.285) 9.736 6.174 ( -3.766 -3.183 0.520) 4.959 6.174 ( -3.766 3.183 0.520) 4.959 6.267 ( -2.786 -2.240 -2.270) 4.234 6.267 ( -2.786 2.240 -2.270) 4.234 6.381 ( -3.417 -3.432 0.521) 4.871 6.381 ( -3.417 3.432 0.521) 4.871 6.447 ( 4.925 -5.348 2.170) 7.587 6.447 ( 4.925 5.348 2.170) 7.587 6.576 ( 1.059 -0.983 -0.534) 1.540 6.576 ( 1.059 0.983 -0.534) 1.540 6.643 ( 7.379 -2.441 2.783) 8.256 6.643 ( 7.379 2.441 2.783) 8.256 6.717 ( 5.427 -4.755 0.117) 7.216 6.717 ( 5.427 4.755 0.117) 7.216 6.792 ( 0.508 -2.576 2.323) 3.506 6.792 ( 0.508 2.576 2.323) 3.506 6.914 ( 4.608 -5.818 5.159) 9.039 6.914 ( 4.608 5.818 5.159) 9.039 7.003 ( 5.462 -3.406 0.280) 6.443 7.003 ( 5.462 3.406 0.280) 6.443 7.103 ( -2.103 -4.251 1.769) 5.062 7.103 ( -2.103 4.251 1.769) 5.062 7.188 ( 3.653 -0.676 -0.543) 3.754 7.188 ( 3.653 0.676 -0.543) 3.754 7.427 ( 3.910 -7.467 0.771) 8.464 7.427 ( 3.910 7.467 0.771) 8.464 7.539 ( 2.393 -4.252 0.625) 4.919 7.539 ( 2.393 4.252 0.625) 4.919 7.641 ( 2.311 -2.954 -0.506) 3.785 7.641 ( 2.311 2.954 -0.506) 3.785 7.750 ( -2.937 -1.973 3.647) 5.081 7.750 ( -2.937 1.973 3.647) 5.081 7.944 ( 0.314 -3.480 -1.611) 3.848 7.944 ( 0.314 3.480 -1.611) 3.848 8.077 ( 2.256 -1.103 -0.297) 2.529 8.077 ( 2.256 1.103 -0.297) 2.529 8.220 ( 3.847 -4.069 0.570) 5.628 8.220 ( 3.847 4.069 0.570) 5.628 8.267 ( 5.275 -2.760 1.133) 6.061 8.267 ( 5.275 2.760 1.133) 6.061 8.404 ( 6.671 -1.000 1.718) 6.961 8.404 ( 6.671 1.000 1.718) 6.961 8.504 ( 6.262 -7.821 -0.154) 10.020 8.504 ( 6.262 7.821 -0.154) 10.020 8.594 ( 0.003 -7.572 -1.407) 7.702 8.594 ( 0.003 7.572 -1.407) 7.702 8.720 ( 2.109 -10.168 -0.455) 10.394 8.720 ( 2.109 10.168 -0.455) 10.394 8.937 ( 1.028 -2.205 1.201) 2.713 8.937 ( 1.028 2.205 1.201) 2.713 9.203 ( -2.547 -3.700 -4.093) 6.078 9.203 ( -2.547 3.700 -4.093) 6.078 9.244 ( 2.170 -4.609 3.051) 5.938 9.244 ( 2.170 4.609 3.051) 5.938 9.510 ( 0.442 -7.436 -0.670) 7.479 9.510 ( 0.442 7.436 -0.670) 7.479 9.668 ( 3.543 -2.276 -2.669) 4.985 9.668 ( 3.543 2.276 -2.669) 4.985 9.846 ( 3.685 -3.896 0.968) 5.450 9.846 ( 3.685 3.896 0.968) 5.450 9.950 ( 0.670 -5.972 -1.789) 6.270 9.950 ( 0.670 5.972 -1.789) 6.270 10.101 ( 5.949 -1.782 -0.211) 6.213 10.101 ( 5.949 1.782 -0.211) 6.213 10.244 ( 4.483 -2.358 0.046) 5.065 10.244 ( 4.483 2.358 0.046) 5.065 10.435 ( 11.293 -9.749 -0.657) 14.933 10.435 ( 11.293 9.749 -0.657) 14.933 11.573 ( 7.261 -1.536 1.593) 7.590 11.573 ( 7.261 1.536 1.593) 7.590 11.669 ( 2.293 -2.284 -2.025) 3.817 11.669 ( 2.293 2.284 -2.025) 3.817 11.908 ( 3.303 -15.497 3.938) 16.327 11.908 ( 3.303 15.497 3.938) 16.327 12.479 ( -0.809 -5.092 0.772) 5.213 12.479 ( -0.809 5.092 0.772) 5.213 12.610 ( 0.994 -9.059 2.135) 9.360 12.610 ( 0.994 9.059 2.135) 9.360 12.809 ( 5.849 -14.855 4.362) 16.550 12.809 ( 5.849 14.855 4.362) 16.550 13.130 ( -3.378 -4.226 7.141) 8.959 13.130 ( -3.378 4.226 7.141) 8.959 13.254 ( -0.375 -7.702 2.959) 8.260 13.254 ( -0.375 7.702 2.959) 8.260 13.564 ( -2.160 -4.479 -0.130) 4.974 13.564 ( -2.160 4.479 -0.130) 4.974 14.733 ( 1.131 -4.167 2.685) 5.084 14.733 ( 1.131 4.167 2.685) 5.084 15.552 ( 0.022 -2.915 1.683) 3.366 15.552 ( 0.022 2.915 1.683) 3.366 16.091 ( 2.348 -3.769 1.004) 4.553 16.091 ( 2.348 3.769 1.004) 4.553 20.618 ( -0.690 -1.960 2.692) 3.401 20.618 ( -0.690 1.960 2.692) 3.401 20.732 ( 2.037 -2.386 3.184) 4.470 20.732 ( 2.037 2.386 3.184) 4.470 21.723 ( -4.179 -1.116 1.188) 4.486 21.723 ( -4.179 1.116 1.188) 4.486 21.862 ( -2.108 -4.660 3.744) 6.338 21.862 ( -2.108 4.660 3.744) 6.338 22.020 ( -1.902 -2.089 5.901) 6.542 22.020 ( -1.902 2.089 5.901) 6.542 22.207 ( -3.828 -0.640 -4.705) 6.099 22.207 ( -3.828 0.640 -4.705) 6.099 22.399 ( -6.354 -2.295 -2.023) 7.052 22.399 ( -6.354 2.295 -2.023) 7.052 22.758 ( -5.433 -8.634 -7.583) 12.711 22.758 ( -5.433 8.634 -7.583) 12.711 22.926 ( -3.094 -0.313 -5.007) 5.894 22.926 ( -3.094 0.313 -5.007) 5.894 23.142 ( -5.407 -1.511 -12.020) 13.266 23.142 ( -5.407 1.511 -12.020) 13.266 24.266 ( 8.637 -12.772 0.232) 15.421 24.266 ( 8.637 12.772 0.232) 15.421 24.942 ( 8.834 -7.738 1.286) 11.814 24.942 ( 8.834 7.738 1.286) 11.814 25.694 ( 4.660 -1.855 2.510) 5.609 25.694 ( 4.660 1.855 2.510) 5.609 ======================= Grid point 59 (31/104) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -19.778 -18.620 -6.911) 28.029 1.124 ( -19.778 18.620 -6.911) 28.029 1.242 ( -24.684 -28.808 -0.130) 37.938 1.242 ( -24.684 28.808 -0.130) 37.938 1.740 ( -6.967 -30.906 1.535) 31.719 1.740 ( -6.967 30.906 1.535) 31.719 2.044 ( -8.476 -21.356 -5.062) 23.528 2.044 ( -8.476 21.356 -5.062) 23.528 2.226 ( -45.340 -12.483 -10.136) 48.107 2.226 ( -45.340 12.483 -10.136) 48.107 2.634 ( -10.371 -2.939 -1.526) 10.887 2.634 ( -10.371 2.939 -1.526) 10.887 2.785 ( -9.008 -10.069 -0.205) 13.512 2.785 ( -9.008 10.069 -0.205) 13.512 2.873 ( -14.297 -3.917 0.989) 14.857 2.873 ( -14.297 3.917 0.989) 14.857 2.993 ( -1.605 -5.259 1.427) 5.680 2.993 ( -1.605 5.259 1.427) 5.680 3.038 ( -0.306 -2.372 -4.171) 4.808 3.038 ( -0.306 2.372 -4.171) 4.808 3.130 ( -7.548 -12.321 -2.065) 14.596 3.130 ( -7.548 12.321 -2.065) 14.596 3.218 ( -3.098 -4.071 5.298) 7.365 3.218 ( -3.098 4.071 5.298) 7.365 3.520 ( -1.864 -5.005 -2.051) 5.721 3.520 ( -1.864 5.005 -2.051) 5.721 3.668 ( -1.247 -3.101 -1.761) 3.778 3.668 ( -1.247 3.101 -1.761) 3.778 3.742 ( 2.917 -5.105 1.634) 6.102 3.742 ( 2.917 5.105 1.634) 6.102 3.860 ( -2.561 -3.789 2.283) 5.111 3.860 ( -2.561 3.789 2.283) 5.111 4.040 ( -1.654 -5.535 -5.512) 7.985 4.040 ( -1.654 5.535 -5.512) 7.985 4.069 ( -3.560 -4.028 0.900) 5.451 4.069 ( -3.560 4.028 0.900) 5.451 4.159 ( -3.267 -1.195 -2.329) 4.187 4.159 ( -3.267 1.195 -2.329) 4.187 4.265 ( -3.184 -4.068 -2.246) 5.633 4.265 ( -3.184 4.068 -2.246) 5.633 4.355 ( -6.687 -4.341 4.880) 9.347 4.355 ( -6.687 4.341 4.880) 9.347 4.532 ( -4.626 -3.931 0.342) 6.080 4.532 ( -4.626 3.931 0.342) 6.080 4.783 ( -9.169 -4.741 -1.219) 10.394 4.783 ( -9.169 4.741 -1.219) 10.394 4.814 ( -6.814 -2.260 2.829) 7.716 4.814 ( -6.814 2.260 2.829) 7.716 4.978 ( -5.328 -6.951 -2.991) 9.255 4.978 ( -5.328 6.951 -2.991) 9.255 5.012 ( -0.604 -3.204 2.165) 3.914 5.012 ( -0.604 3.204 2.165) 3.914 5.049 ( -4.346 -10.159 3.505) 11.592 5.049 ( -4.346 10.159 3.505) 11.592 5.248 ( -2.337 -10.303 0.092) 10.565 5.248 ( -2.337 10.303 0.092) 10.565 5.325 ( -10.107 -6.842 4.907) 13.155 5.325 ( -10.107 6.842 4.907) 13.155 5.512 ( -5.282 -8.204 2.913) 10.183 5.512 ( -5.282 8.204 2.913) 10.183 5.620 ( -0.773 -4.551 -0.427) 4.636 5.620 ( -0.773 4.551 -0.427) 4.636 5.671 ( -5.749 -11.099 2.745) 12.798 5.671 ( -5.749 11.099 2.745) 12.798 5.898 ( -1.938 -6.641 -0.480) 6.935 5.898 ( -1.938 6.641 -0.480) 6.935 6.037 ( 3.648 -2.451 -0.076) 4.395 6.037 ( 3.648 2.451 -0.076) 4.395 6.134 ( -0.537 -1.530 0.558) 1.715 6.134 ( -0.537 1.530 0.558) 1.715 6.232 ( 4.097 -2.782 -3.017) 5.799 6.232 ( 4.097 2.782 -3.017) 5.799 6.390 ( -0.859 -3.861 3.197) 5.086 6.390 ( -0.859 3.861 3.197) 5.086 6.513 ( 0.997 -1.098 1.845) 2.367 6.513 ( 0.997 1.098 1.845) 2.367 6.558 ( -1.781 -0.509 1.990) 2.718 6.558 ( -1.781 0.509 1.990) 2.718 6.702 ( 1.056 -1.986 -3.141) 3.863 6.702 ( 1.056 1.986 -3.141) 3.863 6.852 ( 2.838 -5.079 4.622) 7.430 6.852 ( 2.838 5.079 4.622) 7.430 6.905 ( 8.185 -4.332 1.761) 9.427 6.905 ( 8.185 4.332 1.761) 9.427 7.015 ( 2.420 -8.066 1.470) 8.549 7.015 ( 2.420 8.066 1.470) 8.549 7.105 ( 6.040 -6.721 0.552) 9.053 7.105 ( 6.040 6.721 0.552) 9.053 7.231 ( 10.744 -6.601 5.007) 13.568 7.231 ( 10.744 6.601 5.007) 13.568 7.330 ( 10.606 -4.290 3.805) 12.056 7.330 ( 10.606 4.290 3.805) 12.056 7.459 ( 1.429 -8.536 -1.609) 8.803 7.459 ( 1.429 8.536 -1.609) 8.803 7.606 ( 2.377 -2.982 1.272) 4.020 7.606 ( 2.377 2.982 1.272) 4.020 7.681 ( 2.255 -8.630 2.355) 9.225 7.681 ( 2.255 8.630 2.355) 9.225 7.757 ( 0.976 -2.579 -1.034) 2.945 7.757 ( 0.976 2.579 -1.034) 2.945 7.949 ( 0.366 -4.658 0.848) 4.748 7.949 ( 0.366 4.658 0.848) 4.748 8.101 ( 0.908 -1.745 -2.732) 3.366 8.101 ( 0.908 1.745 -2.732) 3.366 8.261 ( 1.340 -1.938 3.169) 3.949 8.261 ( 1.340 1.938 3.169) 3.949 8.358 ( 3.762 -1.135 1.893) 4.362 8.358 ( 3.762 1.135 1.893) 4.362 8.481 ( 2.685 -0.503 -4.652) 5.395 8.481 ( 2.685 0.503 -4.652) 5.395 8.535 ( -0.040 -6.113 -3.938) 7.272 8.535 ( -0.040 6.113 -3.938) 7.272 8.610 ( 4.053 -1.027 1.440) 4.422 8.610 ( 4.053 1.027 1.440) 4.422 8.815 ( 4.556 -6.723 5.482) 9.798 8.815 ( 4.556 6.723 5.482) 9.798 8.943 ( -0.197 -1.451 -1.146) 1.859 8.943 ( -0.197 1.451 -1.146) 1.859 9.076 ( -4.596 -2.561 -7.332) 9.025 9.076 ( -4.596 2.561 -7.332) 9.025 9.299 ( 0.590 -6.633 2.601) 7.149 9.299 ( 0.590 6.633 2.601) 7.149 9.467 ( -2.898 -4.492 -2.874) 6.069 9.467 ( -2.898 4.492 -2.874) 6.069 9.689 ( 0.317 -6.058 0.904) 6.133 9.689 ( 0.317 6.058 0.904) 6.133 9.850 ( -4.432 -8.804 -0.305) 9.861 9.850 ( -4.432 8.804 -0.305) 9.861 9.940 ( 0.845 -1.844 -1.595) 2.581 9.940 ( 0.845 1.844 -1.595) 2.581 10.156 ( 1.761 -2.555 -1.188) 3.323 10.156 ( 1.761 2.555 -1.188) 3.323 10.317 ( 4.807 -12.578 -1.209) 13.520 10.317 ( 4.807 12.578 -1.209) 13.520 10.674 ( 15.469 -4.240 -0.648) 16.053 10.674 ( 15.469 4.240 -0.648) 16.053 11.668 ( 2.198 -3.707 1.845) 4.688 11.668 ( 2.198 3.707 1.845) 4.688 11.781 ( 11.277 -2.695 0.803) 11.623 11.781 ( 11.277 2.695 0.803) 11.623 12.035 ( 10.021 -10.074 0.776) 14.231 12.035 ( 10.021 10.074 0.776) 14.231 12.470 ( -1.231 -6.578 1.254) 6.809 12.470 ( -1.231 6.578 1.254) 6.809 12.631 ( -0.838 -9.346 0.879) 9.425 12.631 ( -0.838 9.346 0.879) 9.425 12.936 ( 5.547 -13.022 -2.735) 14.416 12.936 ( 5.547 13.022 -2.735) 14.416 13.161 ( -0.685 -2.065 8.347) 8.626 13.161 ( -0.685 2.065 8.347) 8.626 13.274 ( -1.501 -4.650 5.507) 7.363 13.274 ( -1.501 4.650 5.507) 7.363 13.488 ( -4.874 -3.182 -3.027) 6.561 13.488 ( -4.874 3.182 -3.027) 6.561 14.773 ( 1.543 -4.561 0.694) 4.865 14.773 ( 1.543 4.561 0.694) 4.865 15.553 ( -1.043 -0.803 0.110) 1.321 15.553 ( -1.043 0.803 0.110) 1.321 16.128 ( 1.298 -5.209 0.059) 5.369 16.128 ( 1.298 5.209 0.059) 5.369 20.627 ( -0.507 -3.873 1.524) 4.193 20.627 ( -0.507 3.873 1.524) 4.193 20.807 ( 3.501 -3.581 2.180) 5.462 20.807 ( 3.501 3.581 2.180) 5.462 21.643 ( -6.184 -0.879 0.243) 6.251 21.643 ( -6.184 0.879 0.243) 6.251 21.862 ( -2.412 -6.548 3.729) 7.913 21.862 ( -2.412 6.548 3.729) 7.913 22.043 ( -1.973 -1.106 5.208) 5.678 22.043 ( -1.973 1.106 5.208) 5.678 22.102 ( -3.447 -0.406 -3.552) 4.966 22.102 ( -3.447 0.406 -3.552) 4.966 22.234 ( -7.885 -1.813 -5.035) 9.530 22.234 ( -7.885 1.813 -5.035) 9.530 22.561 ( -9.188 -18.419 -13.097) 24.396 22.561 ( -9.188 18.419 -13.097) 24.396 22.848 ( -2.167 -0.270 0.443) 2.228 22.848 ( -2.167 0.270 0.443) 2.228 22.973 ( -5.515 -0.332 0.605) 5.558 22.973 ( -5.515 0.332 0.605) 5.558 24.447 ( 13.562 -20.565 -0.775) 24.646 24.447 ( 13.562 20.565 -0.775) 24.646 25.111 ( 10.342 -10.379 -0.699) 14.669 25.111 ( 10.342 10.379 -0.699) 14.669 25.768 ( 1.879 -4.141 -0.291) 4.557 25.768 ( 1.879 4.141 -0.291) 4.557 ======================= Grid point 61 (32/104) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -10.713 -24.799 22.935) 35.437 0.924 ( -10.713 24.799 22.935) 35.437 1.031 ( -15.200 -11.358 11.772) 22.330 1.031 ( -15.200 11.358 11.772) 22.330 1.385 ( -30.723 -22.448 -0.126) 38.050 1.385 ( -30.723 22.448 -0.126) 38.050 1.742 ( 6.114 -14.174 1.391) 15.499 1.742 ( 6.114 14.174 1.391) 15.499 1.980 ( -3.407 -19.840 5.313) 20.820 1.980 ( -3.407 19.840 5.313) 20.820 2.259 ( -23.946 -11.024 -5.941) 27.023 2.259 ( -23.946 11.024 -5.941) 27.023 2.552 ( -6.382 -4.788 -5.842) 9.889 2.552 ( -6.382 4.788 -5.842) 9.889 2.756 ( -7.170 -9.131 -2.770) 11.935 2.756 ( -7.170 9.131 -2.770) 11.935 2.821 ( -10.793 -4.865 -1.676) 11.957 2.821 ( -10.793 4.865 -1.676) 11.957 2.945 ( -1.990 -11.318 2.224) 11.705 2.945 ( -1.990 11.318 2.224) 11.705 3.178 ( 4.970 -1.391 -2.562) 5.762 3.178 ( 4.970 1.391 -2.562) 5.762 3.309 ( 5.028 -6.085 2.883) 8.403 3.309 ( 5.028 6.085 2.883) 8.403 3.473 ( 0.180 -13.251 -6.376) 14.707 3.473 ( 0.180 13.251 -6.376) 14.707 3.631 ( 1.812 -3.103 -6.990) 7.859 3.631 ( 1.812 3.103 -6.990) 7.859 3.789 ( -4.006 -2.637 1.578) 5.049 3.789 ( -4.006 2.637 1.578) 5.049 3.876 ( 4.190 -3.659 3.958) 6.827 3.876 ( 4.190 3.659 3.958) 6.827 3.943 ( -1.654 -1.324 -6.546) 6.880 3.943 ( -1.654 1.324 -6.546) 6.880 4.024 ( -4.732 -1.326 0.123) 4.916 4.024 ( -4.732 1.326 0.123) 4.916 4.103 ( -1.728 -2.150 -4.035) 4.888 4.103 ( -1.728 2.150 -4.035) 4.888 4.223 ( 1.234 -0.884 7.729) 7.877 4.223 ( 1.234 0.884 7.729) 7.877 4.405 ( 0.497 -5.243 8.107) 9.667 4.405 ( 0.497 5.243 8.107) 9.667 4.467 ( -5.451 -1.604 0.461) 5.700 4.467 ( -5.451 1.604 0.461) 5.700 4.537 ( -16.655 -1.886 1.283) 16.810 4.537 ( -16.655 1.886 1.283) 16.810 4.679 ( -5.341 -3.131 -3.656) 7.190 4.679 ( -5.341 3.131 -3.656) 7.190 4.885 ( -3.135 -5.720 0.776) 6.569 4.885 ( -3.135 5.720 0.776) 6.569 4.961 ( -4.884 -5.992 -1.122) 7.812 4.961 ( -4.884 5.992 -1.122) 7.812 5.053 ( -8.733 -6.055 5.664) 12.043 5.053 ( -8.733 6.055 5.664) 12.043 5.147 ( -1.809 -6.261 4.186) 7.746 5.147 ( -1.809 6.261 4.186) 7.746 5.298 ( -1.455 -11.981 1.940) 12.224 5.298 ( -1.455 11.981 1.940) 12.224 5.447 ( -1.627 -4.710 0.160) 4.985 5.447 ( -1.627 4.710 0.160) 4.985 5.604 ( 1.491 -8.775 -2.986) 9.389 5.604 ( 1.491 8.775 -2.986) 9.389 5.690 ( 2.318 -11.109 2.546) 11.631 5.690 ( 2.318 11.109 2.546) 11.631 5.876 ( 0.535 -4.577 -3.561) 5.823 5.876 ( 0.535 4.577 -3.561) 5.823 6.076 ( 0.431 -3.522 -0.329) 3.564 6.076 ( 0.431 3.522 -0.329) 3.564 6.150 ( -2.193 -2.330 3.657) 4.859 6.150 ( -2.193 2.330 3.657) 4.859 6.253 ( 3.357 -5.402 -4.112) 7.573 6.253 ( 3.357 5.402 -4.112) 7.573 6.388 ( -1.208 -3.999 2.879) 5.073 6.388 ( -1.208 3.999 2.879) 5.073 6.528 ( -1.930 -0.014 5.559) 5.885 6.528 ( -1.930 0.014 5.559) 5.885 6.574 ( -0.592 -0.263 3.168) 3.234 6.574 ( -0.592 0.263 3.168) 3.234 6.717 ( 5.231 -8.589 -5.023) 11.241 6.717 ( 5.231 8.589 -5.023) 11.241 6.902 ( -0.601 -6.362 0.513) 6.411 6.902 ( -0.601 6.362 0.513) 6.411 6.983 ( 2.049 -7.612 -1.026) 7.950 6.983 ( 2.049 7.612 -1.026) 7.950 7.101 ( 5.450 -6.823 1.606) 8.879 7.101 ( 5.450 6.823 1.606) 8.879 7.193 ( 4.041 -4.391 -0.808) 6.022 7.193 ( 4.041 4.391 -0.808) 6.022 7.368 ( 0.569 -4.890 -2.298) 5.433 7.368 ( 0.569 4.890 -2.298) 5.433 7.476 ( 3.551 -6.234 -0.475) 7.190 7.476 ( 3.551 6.234 -0.475) 7.190 7.549 ( 7.383 -5.023 0.909) 8.976 7.549 ( 7.383 5.023 0.909) 8.976 7.620 ( -0.637 -5.625 -3.129) 6.468 7.620 ( -0.637 5.625 -3.129) 6.468 7.685 ( -1.482 -12.444 -2.370) 12.754 7.685 ( -1.482 12.444 -2.370) 12.754 7.776 ( 1.710 -10.206 -0.232) 10.351 7.776 ( 1.710 10.206 -0.232) 10.351 7.891 ( -1.222 -4.777 -9.441) 10.651 7.891 ( -1.222 4.777 -9.441) 10.651 8.121 ( 1.436 -2.000 1.923) 3.124 8.121 ( 1.436 2.000 1.923) 3.124 8.270 ( -3.152 -2.393 -2.501) 4.682 8.270 ( -3.152 2.393 -2.501) 4.682 8.400 ( -1.089 -2.659 -2.580) 3.862 8.400 ( -1.089 2.659 -2.580) 3.862 8.457 ( 0.684 -3.679 -0.528) 3.779 8.457 ( 0.684 3.679 -0.528) 3.779 8.526 ( 5.125 -3.891 0.036) 6.435 8.526 ( 5.125 3.891 0.036) 6.435 8.712 ( 2.966 -5.214 1.627) 6.216 8.712 ( 2.966 5.214 1.627) 6.216 8.882 ( -1.655 -5.237 -1.227) 5.627 8.882 ( -1.655 5.237 -1.227) 5.627 8.922 ( 0.765 -7.978 2.115) 8.289 8.922 ( 0.765 7.978 2.115) 8.289 9.025 ( 2.250 -1.721 3.002) 4.127 9.025 ( 2.250 1.721 3.002) 4.127 9.314 ( -0.560 -9.808 3.920) 10.577 9.314 ( -0.560 9.808 3.920) 10.577 9.393 ( -3.570 -7.098 1.100) 8.021 9.393 ( -3.570 7.098 1.100) 8.021 9.682 ( -3.386 -1.905 1.571) 4.191 9.682 ( -3.386 1.905 1.571) 4.191 9.775 ( -8.891 -9.076 8.487) 15.279 9.775 ( -8.891 9.076 8.487) 15.279 9.907 ( -0.013 -2.951 -1.577) 3.346 9.907 ( -0.013 2.951 -1.577) 3.346 10.172 ( 1.044 -3.911 1.268) 4.242 10.172 ( 1.044 3.911 1.268) 4.242 10.378 ( 2.955 -19.974 0.350) 20.195 10.378 ( 2.955 19.974 0.350) 20.195 10.891 ( 10.592 -5.272 -1.723) 11.957 10.891 ( 10.592 5.272 -1.723) 11.957 11.702 ( 0.164 -4.314 1.014) 4.435 11.702 ( 0.164 4.314 1.014) 4.435 12.032 ( 16.805 -7.238 -0.759) 18.313 12.032 ( 16.805 7.238 -0.759) 18.313 12.247 ( 14.352 -5.707 -3.000) 15.734 12.247 ( 14.352 5.707 -3.000) 15.734 12.478 ( 2.461 -5.003 0.125) 5.577 12.478 ( 2.461 5.003 0.125) 5.577 12.573 ( -5.116 -4.643 -3.496) 7.743 12.573 ( -5.116 4.643 -3.496) 7.743 12.895 ( -2.689 -5.267 -8.925) 10.706 12.895 ( -2.689 5.267 -8.925) 10.706 13.197 ( -5.101 -2.138 -3.169) 6.374 13.197 ( -5.101 2.138 -3.169) 6.374 13.252 ( -1.992 -7.738 -3.526) 8.734 13.252 ( -1.992 7.738 -3.526) 8.734 13.473 ( 5.803 -5.580 3.840) 8.920 13.473 ( 5.803 5.580 3.840) 8.920 14.785 ( 1.473 -3.785 -4.572) 6.115 14.785 ( 1.473 3.785 -4.572) 6.115 15.513 ( -2.016 -0.232 -3.067) 3.678 15.513 ( -2.016 0.232 -3.067) 3.678 16.126 ( -0.655 -4.395 -1.824) 4.803 16.126 ( -0.655 4.395 -1.824) 4.803 20.638 ( 1.602 -6.156 -0.975) 6.435 20.638 ( 1.602 6.156 -0.975) 6.435 20.850 ( 0.187 -2.388 -3.768) 4.464 20.850 ( 0.187 2.388 -3.768) 4.464 21.534 ( -4.802 -1.073 -1.257) 5.079 21.534 ( -4.802 1.073 -1.257) 5.079 21.821 ( -4.228 -4.358 -1.976) 6.385 21.821 ( -4.228 4.358 -1.976) 6.385 21.981 ( -9.292 -0.451 -13.448) 16.352 21.981 ( -9.292 0.451 -13.448) 16.352 22.045 ( -1.112 -0.432 2.931) 3.165 22.045 ( -1.112 0.432 2.931) 3.165 22.111 ( -2.663 -0.799 0.753) 2.880 22.111 ( -2.663 0.799 0.753) 2.880 22.252 ( -9.164 -13.115 3.272) 16.331 22.252 ( -9.164 13.115 3.272) 16.331 22.849 ( -0.797 -0.343 2.236) 2.398 22.849 ( -0.797 0.343 2.236) 2.398 23.076 ( 1.317 -12.763 30.308) 32.912 23.076 ( 1.317 12.763 30.308) 32.912 24.725 ( 22.937 -24.798 -4.864) 34.127 24.725 ( 22.937 24.798 -4.864) 34.127 25.239 ( 6.688 -8.242 -5.490) 11.950 25.239 ( 6.688 8.242 -5.490) 11.950 25.701 ( -6.711 -6.647 -8.611) 12.781 25.701 ( -6.711 6.647 -8.611) 12.781 ======================= Grid point 63 (33/104) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -27.439 0.000 -6.813) 28.272 1.127 ( 12.810 0.000 24.231) 27.409 1.135 ( 1.412 0.000 26.772) 26.810 1.402 ( 3.853 0.000 4.539) 5.953 1.569 ( -1.316 0.000 -5.985) 6.128 1.796 ( 12.732 0.000 -4.930) 13.653 1.986 ( 1.737 0.000 -14.022) 14.129 2.031 ( -1.000 0.000 13.272) 13.310 2.179 ( 0.586 0.000 1.858) 1.948 2.204 ( 1.112 0.000 -3.432) 3.608 2.230 ( 4.290 0.000 18.505) 18.995 2.388 ( 7.991 0.000 35.528) 36.415 2.501 ( 3.073 0.000 9.391) 9.881 2.558 ( 4.650 0.000 -0.709) 4.704 2.571 ( 4.542 0.000 2.901) 5.389 2.610 ( 3.273 0.000 3.654) 4.905 2.821 ( 0.780 0.000 9.814) 9.845 2.910 ( 3.979 0.000 14.803) 15.329 3.013 ( 1.993 0.000 13.094) 13.245 3.057 ( -2.368 0.000 -0.814) 2.504 3.150 ( 4.720 0.000 -1.839) 5.066 3.210 ( -2.597 0.000 -0.042) 2.597 3.218 ( -3.112 0.000 6.434) 7.147 3.270 ( 0.874 0.000 -4.189) 4.279 3.383 ( 1.852 0.000 3.846) 4.269 3.458 ( 3.567 0.000 -3.182) 4.780 3.552 ( 8.228 0.000 -0.029) 8.228 3.578 ( 0.986 0.000 -2.819) 2.987 3.654 ( -11.333 0.000 0.344) 11.338 3.709 ( 0.655 0.000 -3.342) 3.405 3.717 ( -5.067 0.000 -4.786) 6.970 3.833 ( 4.399 0.000 3.236) 5.461 3.856 ( -2.085 0.000 -1.478) 2.556 3.961 ( 4.341 0.000 -0.483) 4.367 3.985 ( -5.785 0.000 -2.327) 6.235 4.009 ( 0.948 0.000 2.351) 2.535 4.067 ( -1.223 0.000 -4.502) 4.665 4.178 ( 4.213 0.000 -1.176) 4.374 4.210 ( -0.074 0.000 1.797) 1.799 4.290 ( 0.727 0.000 1.846) 1.983 4.374 ( -1.707 0.000 3.164) 3.595 4.416 ( 1.717 0.000 1.773) 2.468 4.459 ( 4.674 0.000 6.755) 8.214 4.493 ( -1.490 0.000 3.168) 3.501 4.526 ( -8.717 0.000 -1.796) 8.900 4.648 ( 7.392 0.000 -0.410) 7.403 4.714 ( 2.270 0.000 3.402) 4.090 4.717 ( -2.295 0.000 2.261) 3.221 4.781 ( -2.818 0.000 6.468) 7.055 4.812 ( -0.942 0.000 -5.480) 5.560 4.824 ( -4.051 0.000 4.106) 5.768 4.905 ( -3.369 0.000 -1.362) 3.634 5.052 ( -5.984 0.000 -3.226) 6.798 5.080 ( -6.651 0.000 5.172) 8.426 5.215 ( -0.107 0.000 9.517) 9.517 5.252 ( -7.632 0.000 1.252) 7.734 5.282 ( 4.399 0.000 1.389) 4.613 5.331 ( 4.214 0.000 -1.514) 4.477 5.400 ( -3.069 0.000 1.601) 3.462 5.505 ( -0.322 0.000 1.295) 1.334 5.528 ( 1.748 0.000 -4.541) 4.866 5.604 ( -4.671 0.000 -4.586) 6.546 5.625 ( -2.732 0.000 0.739) 2.830 5.664 ( 3.507 0.000 -5.632) 6.634 5.776 ( -0.183 0.000 7.171) 7.173 5.838 ( 2.136 0.000 -2.047) 2.958 6.027 ( 2.120 0.000 1.747) 2.747 6.048 ( 4.987 0.000 -1.048) 5.096 6.130 ( -2.708 0.000 0.610) 2.776 6.162 ( -4.596 0.000 -6.741) 8.159 6.215 ( -0.485 0.000 -2.452) 2.500 6.297 ( 3.141 0.000 -6.351) 7.085 6.325 ( -4.209 0.000 -13.660) 14.294 6.477 ( -3.896 0.000 2.116) 4.433 6.529 ( 1.071 0.000 -5.970) 6.065 6.608 ( 1.381 0.000 4.513) 4.720 6.648 ( 2.201 0.000 0.130) 2.205 6.691 ( 1.244 0.000 1.486) 1.937 6.704 ( -1.205 0.000 4.343) 4.507 6.785 ( 4.491 0.000 6.466) 7.872 6.787 ( 1.601 0.000 -1.451) 2.160 6.883 ( 0.883 0.000 11.851) 11.884 6.902 ( -2.151 0.000 -1.229) 2.478 6.952 ( -4.283 0.000 -5.736) 7.158 6.971 ( -5.119 0.000 -8.540) 9.956 7.112 ( -10.170 0.000 -7.071) 12.386 7.140 ( -6.252 0.000 -11.763) 13.322 7.208 ( -0.384 0.000 -3.931) 3.949 7.224 ( -7.096 0.000 -3.867) 8.081 7.234 ( -4.207 0.000 -0.716) 4.268 7.305 ( -5.083 0.000 -1.928) 5.436 7.359 ( -0.701 0.000 -4.638) 4.690 7.394 ( -4.959 0.000 -7.439) 8.940 7.397 ( -0.584 0.000 -1.406) 1.522 7.471 ( 9.676 0.000 -3.341) 10.236 7.572 ( -5.168 0.000 -2.657) 5.811 7.589 ( -3.438 0.000 -1.047) 3.594 7.660 ( 1.465 0.000 5.608) 5.797 7.683 ( 5.782 0.000 -0.024) 5.782 7.767 ( 8.111 0.000 1.360) 8.225 7.929 ( -0.313 0.000 -2.187) 2.210 7.936 ( 0.211 0.000 -1.362) 1.378 8.088 ( -4.149 0.000 -2.194) 4.693 8.109 ( -0.533 0.000 1.442) 1.537 8.129 ( -2.788 0.000 1.535) 3.182 8.205 ( 0.855 0.000 -3.644) 3.743 8.231 ( 0.161 0.000 -0.351) 0.386 8.334 ( 2.509 0.000 -2.561) 3.585 8.404 ( 0.270 0.000 0.765) 0.811 8.532 ( 1.458 0.000 0.209) 1.473 8.638 ( -2.829 0.000 -2.104) 3.525 8.640 ( 3.516 0.000 -0.182) 3.520 8.703 ( 3.737 0.000 -3.847) 5.363 8.826 ( 2.677 0.000 -2.277) 3.514 8.833 ( -2.767 0.000 -0.286) 2.781 8.946 ( 2.313 0.000 1.578) 2.800 8.980 ( -1.319 0.000 -8.133) 8.239 8.987 ( -3.639 0.000 2.822) 4.605 9.092 ( 1.093 0.000 4.513) 4.643 9.109 ( -1.303 0.000 2.728) 3.023 9.174 ( 1.192 0.000 2.913) 3.148 9.337 ( 6.646 0.000 -2.875) 7.242 9.410 ( -0.523 0.000 -4.211) 4.243 9.514 ( -4.648 0.000 -5.472) 7.180 9.571 ( 0.247 0.000 -0.510) 0.567 9.602 ( -3.857 0.000 -8.028) 8.907 9.880 ( 1.858 0.000 -0.952) 2.088 10.004 ( 3.088 0.000 1.619) 3.487 10.024 ( -1.450 0.000 -0.023) 1.450 10.038 ( 4.000 0.000 5.468) 6.775 10.247 ( -0.568 0.000 2.800) 2.857 10.346 ( 0.376 0.000 6.433) 6.444 10.465 ( 2.846 0.000 2.048) 3.506 10.496 ( -1.859 0.000 -0.800) 2.024 10.794 ( 0.750 0.000 -0.661) 1.000 10.952 ( -1.082 0.000 -4.382) 4.513 11.647 ( 0.173 0.000 0.135) 0.219 11.687 ( -1.016 0.000 -1.320) 1.666 11.912 ( -3.980 0.000 3.182) 5.096 12.105 ( -9.545 0.000 -2.777) 9.941 12.156 ( 1.562 0.000 -7.833) 7.987 12.283 ( 6.559 0.000 -3.133) 7.269 12.306 ( 4.166 0.000 -0.063) 4.166 12.434 ( -7.753 0.000 -4.577) 9.004 12.440 ( -7.465 0.000 -1.022) 7.535 12.571 ( 4.048 0.000 -0.487) 4.077 12.656 ( 5.340 0.000 -6.562) 8.460 12.658 ( 1.924 0.000 -7.720) 7.956 12.801 ( -7.737 0.000 -3.609) 8.537 12.906 ( 0.917 0.000 -9.550) 9.594 13.133 ( 4.693 0.000 -2.577) 5.354 13.194 ( -3.473 0.000 -8.146) 8.855 13.378 ( -1.798 0.000 -2.138) 2.793 13.479 ( -3.877 0.000 -5.040) 6.359 14.459 ( -1.104 0.000 -8.080) 8.155 14.656 ( -1.123 0.000 -8.157) 8.234 15.302 ( -0.381 0.000 -7.475) 7.485 15.354 ( -0.056 0.000 -5.514) 5.514 15.990 ( 0.692 0.000 -3.820) 3.882 16.058 ( -0.768 0.000 -4.254) 4.323 20.539 ( -1.240 0.000 -0.277) 1.271 20.613 ( -1.618 0.000 -1.647) 2.309 20.667 ( -1.225 0.000 -3.604) 3.806 20.733 ( -1.948 0.000 -2.435) 3.118 21.482 ( -0.360 0.000 2.291) 2.319 21.537 ( 0.411 0.000 1.235) 1.302 21.680 ( -2.403 0.000 -0.573) 2.470 21.697 ( -2.181 0.000 0.390) 2.215 21.715 ( -0.355 0.000 -0.202) 0.408 21.733 ( -1.810 0.000 -0.064) 1.811 22.183 ( 1.812 0.000 4.817) 5.147 22.186 ( 1.777 0.000 4.795) 5.113 22.258 ( 1.959 0.000 7.062) 7.329 22.292 ( 2.351 0.000 6.127) 6.563 22.486 ( 5.932 0.000 9.133) 10.890 22.553 ( 5.113 0.000 6.199) 8.035 22.971 ( 1.154 0.000 5.599) 5.716 22.990 ( 1.236 0.000 6.461) 6.578 23.601 ( 1.395 0.000 12.161) 12.240 24.171 ( -0.535 0.000 -3.662) 3.701 24.248 ( 2.683 0.000 -12.159) 12.452 24.644 ( 1.779 0.000 -19.035) 19.118 24.954 ( 0.804 0.000 -10.073) 10.105 25.078 ( -0.203 0.000 -10.000) 10.003 25.322 ( 0.381 0.000 -3.844) 3.863 25.426 ( -0.177 0.000 -4.300) 4.303 ======================= Grid point 64 (34/104) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 22.687 0.000 13.251) 26.273 1.443 ( 4.983 0.000 16.194) 16.943 1.593 ( 15.380 0.000 -7.458) 17.093 1.680 ( 23.891 0.000 8.203) 25.260 1.729 ( 24.601 0.000 -1.268) 24.633 1.919 ( 17.179 0.000 -16.426) 23.768 2.005 ( 18.987 0.000 -16.228) 24.977 2.116 ( 10.246 0.000 3.580) 10.853 2.182 ( 12.620 0.000 -4.766) 13.490 2.438 ( 11.739 0.000 5.604) 13.008 2.505 ( 8.318 0.000 12.286) 14.837 2.575 ( -1.725 0.000 -3.741) 4.120 2.637 ( 5.609 0.000 -2.476) 6.132 2.672 ( 3.923 0.000 3.882) 5.519 2.679 ( 5.672 0.000 7.933) 9.752 2.893 ( -3.292 0.000 5.099) 6.069 3.013 ( 5.320 0.000 -0.393) 5.335 3.019 ( 9.091 0.000 19.522) 21.535 3.100 ( 6.259 0.000 24.811) 25.588 3.180 ( 2.816 0.000 9.102) 9.528 3.227 ( -1.025 0.000 -0.873) 1.346 3.254 ( 0.375 0.000 4.592) 4.607 3.303 ( 4.693 0.000 13.277) 14.082 3.344 ( 11.330 0.000 10.900) 15.722 3.376 ( -5.498 0.000 0.841) 5.562 3.471 ( -1.883 0.000 -0.987) 2.126 3.492 ( -6.746 0.000 2.342) 7.141 3.509 ( -1.774 0.000 -1.577) 2.374 3.622 ( -0.388 0.000 -2.373) 2.405 3.687 ( 4.988 0.000 1.423) 5.187 3.777 ( 4.016 0.000 1.578) 4.315 3.791 ( -0.363 0.000 1.049) 1.110 3.943 ( 4.417 0.000 -1.532) 4.675 3.995 ( 2.155 0.000 -3.641) 4.231 4.050 ( 11.333 0.000 3.038) 11.733 4.100 ( 4.773 0.000 3.503) 5.920 4.105 ( 9.624 0.000 3.040) 10.092 4.270 ( 6.237 0.000 1.262) 6.363 4.290 ( 2.957 0.000 3.166) 4.332 4.329 ( -7.693 0.000 5.263) 9.321 4.394 ( 9.787 0.000 -1.132) 9.853 4.480 ( 2.451 0.000 0.936) 2.624 4.491 ( 7.111 0.000 3.685) 8.009 4.516 ( 0.870 0.000 6.518) 6.576 4.681 ( -0.455 0.000 1.572) 1.636 4.700 ( 8.087 0.000 4.155) 9.092 4.726 ( -2.500 0.000 0.736) 2.606 4.757 ( 4.778 0.000 -1.040) 4.890 4.812 ( 3.416 0.000 -0.673) 3.481 4.817 ( 8.136 0.000 -2.372) 8.475 4.835 ( 1.933 0.000 4.171) 4.597 4.907 ( 1.641 0.000 1.582) 2.279 4.989 ( 0.659 0.000 3.324) 3.388 5.032 ( -4.379 0.000 5.448) 6.990 5.114 ( -4.487 0.000 -3.234) 5.531 5.294 ( -0.063 0.000 -0.146) 0.159 5.323 ( 0.221 0.000 -0.077) 0.234 5.380 ( 3.534 0.000 4.407) 5.649 5.387 ( -2.866 0.000 2.843) 4.037 5.497 ( -0.016 0.000 -4.292) 4.292 5.540 ( 2.204 0.000 1.208) 2.513 5.560 ( 3.247 0.000 0.150) 3.251 5.612 ( -0.759 0.000 2.006) 2.145 5.677 ( 3.076 0.000 -3.456) 4.627 5.798 ( -2.048 0.000 1.357) 2.457 5.874 ( 2.840 0.000 -0.437) 2.874 5.997 ( -3.916 0.000 -2.161) 4.472 6.011 ( -2.893 0.000 -7.415) 7.960 6.108 ( 2.528 0.000 1.549) 2.965 6.155 ( 1.219 0.000 2.429) 2.718 6.192 ( 0.199 0.000 -0.457) 0.499 6.251 ( -11.887 0.000 -11.949) 16.855 6.304 ( 5.559 0.000 -2.176) 5.970 6.308 ( 4.493 0.000 -3.554) 5.729 6.483 ( -4.898 0.000 0.059) 4.899 6.581 ( -4.849 0.000 -4.244) 6.444 6.647 ( -12.647 0.000 -12.191) 17.566 6.671 ( -5.042 0.000 -11.210) 12.292 6.678 ( -1.500 0.000 -5.073) 5.290 6.717 ( -5.665 0.000 -2.728) 6.288 6.730 ( -6.966 0.000 -8.097) 10.682 6.816 ( -3.922 0.000 -0.200) 3.927 6.822 ( 1.438 0.000 1.982) 2.449 6.874 ( -8.347 0.000 -4.340) 9.408 6.917 ( -6.101 0.000 -3.192) 6.885 6.922 ( -3.669 0.000 -7.052) 7.949 6.978 ( -6.113 0.000 2.133) 6.475 7.049 ( 2.024 0.000 10.531) 10.724 7.058 ( 1.400 0.000 6.768) 6.911 7.256 ( 0.638 0.000 -4.222) 4.269 7.287 ( 2.348 0.000 2.511) 3.438 7.313 ( 3.621 0.000 1.124) 3.792 7.343 ( -3.665 0.000 2.671) 4.535 7.411 ( -1.973 0.000 5.644) 5.979 7.536 ( 2.310 0.000 -0.636) 2.396 7.559 ( -1.159 0.000 -0.743) 1.377 7.622 ( 7.989 0.000 -2.180) 8.281 7.755 ( -0.846 0.000 6.966) 7.017 7.801 ( 6.355 0.000 3.160) 7.097 7.870 ( -0.001 0.000 -1.146) 1.146 7.898 ( -1.525 0.000 -1.292) 1.999 7.929 ( 1.353 0.000 -2.999) 3.291 7.959 ( -5.268 0.000 -6.314) 8.223 8.085 ( -2.777 0.000 1.333) 3.080 8.129 ( 2.812 0.000 2.936) 4.065 8.194 ( 0.713 0.000 -1.727) 1.868 8.204 ( -1.857 0.000 -2.573) 3.173 8.331 ( 0.071 0.000 -2.830) 2.831 8.411 ( -0.506 0.000 -0.836) 0.978 8.521 ( -3.116 0.000 -1.712) 3.555 8.560 ( -4.724 0.000 0.235) 4.730 8.602 ( 0.482 0.000 -8.980) 8.993 8.713 ( -7.380 0.000 -4.117) 8.450 8.728 ( 0.854 0.000 -5.040) 5.111 8.821 ( -7.378 0.000 -5.764) 9.363 8.873 ( 5.933 0.000 -2.819) 6.569 8.901 ( -4.470 0.000 -1.159) 4.617 8.907 ( -4.813 0.000 -5.737) 7.488 9.064 ( -2.909 0.000 -0.475) 2.948 9.163 ( -0.064 0.000 0.354) 0.359 9.212 ( 0.868 0.000 0.449) 0.977 9.372 ( -4.425 0.000 -4.156) 6.070 9.386 ( 1.468 0.000 -1.469) 2.077 9.429 ( -1.493 0.000 -0.652) 1.629 9.514 ( 8.794 0.000 -8.043) 11.918 9.636 ( 3.689 0.000 -2.046) 4.218 9.861 ( -0.804 0.000 -4.561) 4.631 9.964 ( -4.503 0.000 -1.504) 4.747 10.018 ( -1.856 0.000 -0.091) 1.858 10.111 ( -0.327 0.000 4.780) 4.791 10.268 ( -0.467 0.000 2.146) 2.197 10.384 ( -3.802 0.000 5.768) 6.908 10.404 ( -6.553 0.000 -2.852) 7.147 10.475 ( -4.822 0.000 6.398) 8.012 10.749 ( -5.143 0.000 -1.224) 5.287 10.791 ( -11.096 0.000 -3.702) 11.697 11.654 ( -1.760 0.000 -0.290) 1.784 11.669 ( 0.858 0.000 0.541) 1.014 11.853 ( -4.464 0.000 2.620) 5.176 11.889 ( -12.374 0.000 -2.358) 12.597 12.179 ( -3.459 0.000 -0.496) 3.495 12.185 ( -8.936 0.000 -2.595) 9.305 12.281 ( -2.608 0.000 -4.437) 5.147 12.331 ( -0.576 0.000 -2.279) 2.351 12.348 ( 2.929 0.000 -1.533) 3.306 12.595 ( 2.030 0.000 -8.232) 8.478 12.623 ( 0.350 0.000 -3.133) 3.153 12.682 ( 5.877 0.000 -4.002) 7.111 12.750 ( 1.396 0.000 -1.941) 2.391 12.927 ( 6.660 0.000 -1.961) 6.942 13.077 ( -2.087 0.000 -5.355) 5.747 13.215 ( 6.600 0.000 -2.974) 7.239 13.338 ( 1.723 0.000 -5.311) 5.583 13.383 ( -0.660 0.000 -6.317) 6.351 14.403 ( 2.094 0.000 -5.338) 5.734 14.568 ( -0.040 0.000 -7.405) 7.405 15.256 ( 2.817 0.000 -6.509) 7.092 15.330 ( 3.281 0.000 -5.437) 6.350 15.970 ( 1.013 0.000 -3.296) 3.448 16.013 ( 0.354 0.000 -4.714) 4.727 20.521 ( -0.568 0.000 -0.063) 0.571 20.580 ( -0.845 0.000 -0.864) 1.209 20.620 ( -1.087 0.000 -1.647) 1.973 20.682 ( -1.460 0.000 -1.927) 2.418 21.526 ( 2.891 0.000 1.363) 3.196 21.571 ( 2.123 0.000 1.528) 2.615 21.665 ( 0.668 0.000 0.233) 0.708 21.713 ( 2.725 0.000 0.836) 2.850 21.726 ( 0.604 0.000 0.605) 0.855 21.748 ( 3.187 0.000 0.164) 3.191 22.259 ( 2.129 0.000 3.789) 4.346 22.271 ( 3.050 0.000 3.870) 4.927 22.356 ( 1.971 0.000 5.793) 6.119 22.388 ( 2.289 0.000 5.438) 5.901 22.674 ( 7.841 0.000 4.916) 9.255 22.705 ( 6.874 0.000 3.603) 7.761 23.050 ( 1.778 0.000 5.152) 5.450 23.078 ( 1.846 0.000 5.821) 6.107 23.670 ( -3.109 0.000 6.522) 7.225 24.033 ( -11.347 0.000 -6.217) 12.938 24.116 ( -1.439 0.000 -4.034) 4.283 24.464 ( -3.017 0.000 -15.698) 15.985 24.841 ( -2.588 0.000 -7.688) 8.112 24.960 ( -2.338 0.000 -10.059) 10.328 25.356 ( 6.031 0.000 -5.119) 7.911 25.414 ( 3.075 0.000 -5.715) 6.490 ======================= Grid point 65 (35/104) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 32.641 0.000 10.157) 34.184 1.462 ( -13.081 0.000 7.293) 14.976 1.852 ( 23.277 0.000 -13.426) 26.872 1.934 ( 19.055 0.000 -15.754) 24.724 2.129 ( 26.323 0.000 -8.112) 27.545 2.148 ( 18.765 0.000 -8.508) 20.604 2.262 ( 23.148 0.000 -12.753) 26.428 2.343 ( 10.897 0.000 -1.157) 10.959 2.439 ( -4.438 0.000 -7.772) 8.950 2.498 ( 16.732 0.000 6.074) 17.800 2.651 ( 8.971 0.000 -0.525) 8.986 2.691 ( -1.168 0.000 0.280) 1.201 2.701 ( 8.533 0.000 -4.454) 9.625 2.770 ( 12.053 0.000 5.070) 13.076 2.788 ( -4.589 0.000 -2.733) 5.341 2.909 ( 8.540 0.000 11.416) 14.257 3.125 ( -2.870 0.000 -1.287) 3.146 3.171 ( -1.318 0.000 1.244) 1.813 3.208 ( 9.000 0.000 9.271) 12.921 3.318 ( 1.915 0.000 5.161) 5.505 3.352 ( 4.368 0.000 6.619) 7.930 3.372 ( 5.592 0.000 13.503) 14.615 3.394 ( -0.131 0.000 2.213) 2.217 3.435 ( -3.639 0.000 4.830) 6.048 3.460 ( 4.763 0.000 3.084) 5.674 3.552 ( 5.039 0.000 9.769) 10.992 3.568 ( 10.010 0.000 9.600) 13.869 3.707 ( 10.433 0.000 5.313) 11.708 3.722 ( 13.482 0.000 12.208) 18.188 3.772 ( 3.088 0.000 5.197) 6.045 3.786 ( 0.761 0.000 1.368) 1.565 3.907 ( 7.151 0.000 1.204) 7.252 4.035 ( 6.088 0.000 -0.097) 6.089 4.050 ( -4.115 0.000 2.144) 4.640 4.145 ( 8.351 0.000 2.617) 8.751 4.197 ( 3.966 0.000 1.981) 4.433 4.286 ( -0.383 0.000 -1.183) 1.244 4.295 ( -3.004 0.000 5.298) 6.090 4.386 ( 16.553 0.000 -3.184) 16.857 4.414 ( 6.937 0.000 5.239) 8.693 4.489 ( -4.785 0.000 11.280) 12.253 4.570 ( 10.729 0.000 -0.970) 10.773 4.623 ( 3.499 0.000 2.089) 4.076 4.656 ( 5.044 0.000 3.064) 5.901 4.704 ( -2.137 0.000 8.591) 8.853 4.796 ( 0.094 0.000 2.599) 2.600 4.817 ( 7.579 0.000 1.983) 7.834 4.821 ( 0.373 0.000 -0.205) 0.425 4.862 ( 6.071 0.000 3.818) 7.172 4.900 ( 5.960 0.000 -1.717) 6.202 4.968 ( 8.564 0.000 0.227) 8.567 4.972 ( 4.276 0.000 1.629) 4.576 5.052 ( 3.082 0.000 -1.450) 3.406 5.088 ( 3.646 0.000 5.632) 6.709 5.154 ( 9.095 0.000 -1.680) 9.248 5.261 ( -1.400 0.000 -5.224) 5.408 5.337 ( 4.246 0.000 1.101) 4.386 5.386 ( 0.181 0.000 1.850) 1.858 5.451 ( 2.196 0.000 -0.704) 2.306 5.484 ( -0.027 0.000 -2.010) 2.010 5.561 ( 2.902 0.000 -2.582) 3.884 5.664 ( 2.288 0.000 3.035) 3.801 5.684 ( 3.972 0.000 6.165) 7.333 5.718 ( 4.359 0.000 1.504) 4.611 5.772 ( 1.593 0.000 -2.433) 2.908 5.855 ( -1.894 0.000 -2.539) 3.168 5.900 ( -3.061 0.000 -5.059) 5.913 5.935 ( -9.469 0.000 -7.711) 12.212 6.012 ( 2.825 0.000 0.458) 2.862 6.099 ( -5.854 0.000 -6.746) 8.932 6.169 ( -6.649 0.000 -0.446) 6.664 6.186 ( -0.499 0.000 -0.823) 0.963 6.210 ( -12.786 0.000 -10.745) 16.701 6.299 ( -6.167 0.000 -7.871) 9.999 6.327 ( -4.306 0.000 -3.523) 5.564 6.344 ( -0.242 0.000 2.817) 2.827 6.416 ( -3.792 0.000 -5.108) 6.362 6.442 ( -5.134 0.000 -9.115) 10.461 6.546 ( 0.711 0.000 -4.386) 4.443 6.680 ( 2.102 0.000 -8.373) 8.633 6.685 ( 4.110 0.000 5.529) 6.889 6.721 ( -5.149 0.000 0.929) 5.232 6.739 ( -3.449 0.000 -7.620) 8.364 6.815 ( -0.811 0.000 0.726) 1.089 6.892 ( 1.308 0.000 3.607) 3.837 6.929 ( 4.273 0.000 4.270) 6.040 7.060 ( 5.703 0.000 4.720) 7.403 7.179 ( 0.631 0.000 7.716) 7.742 7.186 ( -1.464 0.000 10.036) 10.142 7.225 ( 1.160 0.000 -2.144) 2.438 7.337 ( -1.624 0.000 5.334) 5.576 7.393 ( 1.825 0.000 2.144) 2.815 7.411 ( 3.688 0.000 7.812) 8.639 7.418 ( 1.132 0.000 3.235) 3.427 7.545 ( -0.041 0.000 4.558) 4.558 7.573 ( 1.047 0.000 -0.780) 1.306 7.648 ( -2.465 0.000 -8.248) 8.608 7.675 ( -8.541 0.000 -2.579) 8.922 7.779 ( -5.297 0.000 3.048) 6.111 7.810 ( -5.136 0.000 -3.930) 6.467 7.866 ( -0.269 0.000 -0.855) 0.896 7.917 ( 2.846 0.000 -6.647) 7.231 7.977 ( 7.065 0.000 5.631) 9.035 8.076 ( -2.555 0.000 1.348) 2.889 8.110 ( -4.215 0.000 -6.010) 7.340 8.236 ( 5.051 0.000 2.980) 5.865 8.238 ( 0.085 0.000 0.626) 0.632 8.284 ( -1.252 0.000 -2.539) 2.831 8.329 ( -10.869 0.000 -7.965) 13.476 8.355 ( -0.311 0.000 -0.884) 0.937 8.484 ( -5.618 0.000 -1.629) 5.850 8.581 ( 4.862 0.000 -8.042) 9.398 8.594 ( -2.666 0.000 0.006) 2.666 8.640 ( -7.537 0.000 -3.454) 8.291 8.643 ( -3.704 0.000 -6.536) 7.512 8.748 ( -4.945 0.000 -8.656) 9.969 8.843 ( 1.903 0.000 -4.894) 5.251 8.925 ( 1.471 0.000 -1.788) 2.315 9.004 ( -4.066 0.000 -0.220) 4.072 9.102 ( -5.745 0.000 -0.129) 5.747 9.157 ( -3.452 0.000 -5.587) 6.567 9.280 ( 0.053 0.000 -6.294) 6.294 9.413 ( 0.540 0.000 1.978) 2.050 9.434 ( -0.537 0.000 0.855) 1.010 9.525 ( 0.307 0.000 -5.310) 5.319 9.647 ( 0.969 0.000 -5.133) 5.224 9.789 ( -1.560 0.000 -4.075) 4.363 9.856 ( -5.697 0.000 -2.472) 6.210 9.962 ( -3.889 0.000 -1.197) 4.069 10.137 ( -2.026 0.000 4.683) 5.102 10.234 ( -8.746 0.000 -4.734) 9.945 10.252 ( -2.426 0.000 -0.781) 2.549 10.290 ( -12.007 0.000 1.605) 12.114 10.441 ( -6.450 0.000 6.377) 9.071 10.598 ( -8.872 0.000 1.392) 8.981 10.625 ( -7.417 0.000 -0.264) 7.421 11.633 ( -1.578 0.000 1.863) 2.442 11.644 ( -9.073 0.000 2.042) 9.300 11.701 ( -3.574 0.000 -1.169) 3.760 11.822 ( -2.980 0.000 2.871) 4.138 11.907 ( -14.060 0.000 -0.092) 14.060 12.191 ( -2.627 0.000 -3.918) 4.717 12.211 ( -1.266 0.000 2.485) 2.789 12.325 ( 2.241 0.000 -2.957) 3.711 12.415 ( 6.417 0.000 -1.157) 6.520 12.565 ( 2.661 0.000 -5.900) 6.472 12.582 ( -1.420 0.000 -1.307) 1.930 12.701 ( 0.017 0.000 -1.276) 1.276 12.837 ( 9.371 0.000 -1.177) 9.445 13.005 ( 1.056 0.000 -1.201) 1.599 13.042 ( 3.183 0.000 -0.362) 3.203 13.261 ( 1.078 0.000 -1.042) 1.499 13.340 ( 3.156 0.000 -6.990) 7.669 13.351 ( 6.864 0.000 -7.204) 9.951 14.421 ( 4.437 0.000 -3.105) 5.415 14.524 ( 2.228 0.000 -5.257) 5.710 15.266 ( 4.290 0.000 -4.413) 6.155 15.355 ( 5.213 0.000 -4.534) 6.909 15.963 ( 1.343 0.000 -2.203) 2.580 15.975 ( 0.326 0.000 -4.349) 4.362 20.520 ( 0.134 0.000 0.629) 0.643 20.570 ( 0.019 0.000 0.134) 0.135 20.603 ( -0.109 0.000 0.086) 0.139 20.650 ( -0.715 0.000 -0.829) 1.095 21.594 ( 3.949 0.000 0.577) 3.991 21.631 ( 3.219 0.000 1.348) 3.490 21.699 ( 2.563 0.000 0.643) 2.643 21.759 ( 2.161 0.000 1.018) 2.389 21.787 ( 4.552 0.000 1.171) 4.700 21.812 ( 3.958 0.000 0.429) 3.981 22.324 ( 1.972 0.000 2.492) 3.178 22.355 ( 3.188 0.000 2.593) 4.109 22.425 ( 0.991 0.000 3.240) 3.388 22.464 ( 1.327 0.000 3.752) 3.980 22.827 ( 6.958 0.000 0.599) 6.984 22.837 ( 6.765 0.000 -0.548) 6.787 23.117 ( 1.174 0.000 3.135) 3.348 23.150 ( 1.119 0.000 3.341) 3.524 23.647 ( -4.132 0.000 2.353) 4.755 23.819 ( -8.662 0.000 -3.403) 9.307 24.053 ( -1.460 0.000 -3.669) 3.949 24.279 ( -3.667 0.000 -9.871) 10.530 24.746 ( -1.582 0.000 -4.554) 4.821 24.823 ( -3.236 0.000 -7.932) 8.566 25.395 ( 4.340 0.000 -4.789) 6.463 25.402 ( 2.068 0.000 -5.609) 5.978 ======================= Grid point 66 (36/104) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -16.299 0.000 10.361) 19.313 1.914 ( 16.387 0.000 -6.000) 17.451 2.067 ( 16.816 0.000 -12.089) 20.711 2.127 ( 17.093 0.000 -8.868) 19.256 2.288 ( 2.978 0.000 -13.023) 13.359 2.330 ( 11.295 0.000 -7.358) 13.480 2.357 ( 8.440 0.000 -10.613) 13.560 2.459 ( 7.113 0.000 -4.524) 8.430 2.493 ( -6.561 0.000 -6.644) 9.337 2.493 ( 15.528 0.000 -9.068) 17.982 2.630 ( 1.456 0.000 -1.772) 2.293 2.826 ( 5.167 0.000 3.343) 6.154 2.872 ( 9.900 0.000 0.236) 9.902 2.962 ( 9.623 0.000 4.793) 10.750 2.979 ( 9.568 0.000 -0.707) 9.594 3.013 ( 0.123 0.000 0.807) 0.817 3.139 ( 6.785 0.000 7.401) 10.041 3.249 ( 8.435 0.000 -4.698) 9.655 3.262 ( -1.541 0.000 -2.533) 2.965 3.382 ( 0.604 0.000 -1.874) 1.969 3.400 ( 5.207 0.000 5.618) 7.660 3.466 ( 0.260 0.000 5.897) 5.903 3.505 ( 8.221 0.000 5.565) 9.928 3.652 ( 1.475 0.000 6.962) 7.116 3.699 ( 4.776 0.000 16.331) 17.015 3.716 ( 11.843 0.000 6.748) 13.630 3.804 ( -0.135 0.000 1.748) 1.753 3.849 ( 0.976 0.000 8.702) 8.756 3.865 ( 9.578 0.000 4.864) 10.742 3.927 ( 5.874 0.000 6.354) 8.653 3.994 ( -0.118 0.000 3.131) 3.133 4.001 ( 9.493 0.000 8.575) 12.793 4.071 ( 11.442 0.000 0.136) 11.443 4.158 ( 3.371 0.000 0.720) 3.447 4.208 ( 5.533 0.000 6.269) 8.361 4.306 ( 5.824 0.000 -0.900) 5.893 4.360 ( 4.750 0.000 7.352) 8.753 4.393 ( 11.470 0.000 -4.168) 12.204 4.482 ( -3.203 0.000 5.935) 6.744 4.580 ( 6.638 0.000 0.808) 6.687 4.609 ( 7.487 0.000 2.855) 8.013 4.657 ( 2.292 0.000 0.696) 2.396 4.713 ( -6.457 0.000 8.067) 10.333 4.733 ( 1.066 0.000 6.107) 6.200 4.760 ( 3.048 0.000 7.826) 8.398 4.796 ( 1.148 0.000 -3.135) 3.338 4.848 ( 2.835 0.000 0.515) 2.882 4.873 ( -0.074 0.000 -1.381) 1.383 5.004 ( 6.413 0.000 6.526) 9.150 5.022 ( 4.318 0.000 -4.109) 5.961 5.062 ( 7.842 0.000 -5.688) 9.688 5.083 ( 2.823 0.000 -1.142) 3.045 5.088 ( 0.572 0.000 6.877) 6.900 5.155 ( 0.944 0.000 4.488) 4.586 5.217 ( 0.946 0.000 -1.574) 1.837 5.276 ( 1.837 0.000 0.573) 1.925 5.361 ( -6.564 0.000 -6.818) 9.464 5.383 ( 5.240 0.000 -6.279) 8.178 5.402 ( 2.062 0.000 0.066) 2.063 5.479 ( -0.451 0.000 0.827) 0.942 5.580 ( -1.164 0.000 -0.919) 1.483 5.612 ( -3.537 0.000 -1.158) 3.722 5.728 ( -10.681 0.000 -3.607) 11.273 5.743 ( -8.746 0.000 -0.462) 8.758 5.759 ( -3.808 0.000 0.813) 3.894 5.777 ( -6.977 0.000 -3.215) 7.682 5.832 ( -0.316 0.000 -7.261) 7.268 5.871 ( 4.314 0.000 -2.209) 4.847 5.902 ( 2.697 0.000 -0.717) 2.790 5.970 ( 5.020 0.000 -5.163) 7.201 5.972 ( 2.664 0.000 -3.098) 4.086 6.137 ( 4.736 0.000 -0.829) 4.808 6.237 ( 5.208 0.000 -5.380) 7.488 6.289 ( 1.058 0.000 -1.052) 1.492 6.298 ( -3.698 0.000 -5.011) 6.228 6.346 ( 6.577 0.000 3.164) 7.298 6.395 ( 5.276 0.000 1.887) 5.603 6.475 ( 4.981 0.000 8.840) 10.147 6.563 ( 3.376 0.000 -6.542) 7.362 6.616 ( 5.259 0.000 -6.608) 8.445 6.686 ( -1.608 0.000 2.820) 3.246 6.717 ( 3.702 0.000 -3.292) 4.954 6.797 ( 1.170 0.000 1.649) 2.022 6.817 ( 1.417 0.000 2.549) 2.916 6.998 ( 0.877 0.000 -0.755) 1.157 6.999 ( 5.790 0.000 5.346) 7.881 7.168 ( -0.153 0.000 -1.961) 1.967 7.193 ( 6.309 0.000 1.375) 6.457 7.198 ( -3.485 0.000 3.583) 4.998 7.235 ( -4.682 0.000 2.474) 5.295 7.360 ( -2.595 0.000 -3.223) 4.138 7.388 ( -4.640 0.000 -7.450) 8.777 7.455 ( 7.631 0.000 8.325) 11.293 7.508 ( -5.652 0.000 -3.084) 6.439 7.531 ( -6.359 0.000 1.064) 6.447 7.543 ( -0.544 0.000 6.692) 6.714 7.583 ( 3.325 0.000 9.287) 9.865 7.683 ( 0.955 0.000 4.729) 4.824 7.746 ( -1.057 0.000 3.315) 3.479 7.759 ( 1.647 0.000 4.671) 4.953 7.853 ( -1.301 0.000 -2.361) 2.696 7.866 ( -3.072 0.000 -6.038) 6.774 7.956 ( -7.305 0.000 -1.969) 7.566 7.977 ( -6.666 0.000 -3.143) 7.370 8.056 ( -2.877 0.000 -2.996) 4.154 8.164 ( -2.076 0.000 -1.184) 2.390 8.200 ( 1.495 0.000 5.471) 5.672 8.238 ( -1.424 0.000 -1.060) 1.775 8.316 ( -6.631 0.000 -2.035) 6.936 8.355 ( 1.359 0.000 0.155) 1.367 8.436 ( 0.551 0.000 -3.258) 3.304 8.475 ( -1.119 0.000 -6.884) 6.975 8.512 ( -7.710 0.000 0.261) 7.715 8.582 ( -0.509 0.000 0.385) 0.638 8.610 ( 2.058 0.000 -4.582) 5.023 8.654 ( 3.840 0.000 -0.713) 3.906 8.833 ( 0.579 0.000 -5.056) 5.089 8.908 ( 0.485 0.000 -1.622) 1.693 8.942 ( -3.779 0.000 2.360) 4.455 8.969 ( -8.656 0.000 -0.938) 8.707 9.091 ( 0.567 0.000 0.217) 0.607 9.216 ( 0.256 0.000 -8.749) 8.753 9.373 ( -3.264 0.000 -5.649) 6.524 9.430 ( -1.819 0.000 3.356) 3.818 9.473 ( 0.541 0.000 -5.066) 5.095 9.582 ( -2.277 0.000 -4.174) 4.754 9.720 ( -3.655 0.000 -5.124) 6.294 9.778 ( -1.481 0.000 2.928) 3.281 9.867 ( -4.852 0.000 -2.359) 5.396 10.042 ( -8.215 0.000 -4.433) 9.334 10.085 ( -10.663 0.000 0.122) 10.664 10.112 ( -6.314 0.000 2.036) 6.634 10.190 ( -1.282 0.000 -2.192) 2.539 10.393 ( -4.894 0.000 4.227) 6.467 10.494 ( -7.105 0.000 2.486) 7.527 10.515 ( -6.080 0.000 0.175) 6.083 11.497 ( -8.127 0.000 2.136) 8.403 11.617 ( -4.220 0.000 2.752) 5.038 11.677 ( -1.614 0.000 1.883) 2.480 11.736 ( -7.382 0.000 4.581) 8.688 11.791 ( -2.892 0.000 -0.174) 2.897 12.115 ( -2.171 0.000 -3.487) 4.108 12.213 ( -1.167 0.000 3.187) 3.394 12.354 ( 3.487 0.000 -0.922) 3.607 12.518 ( 5.992 0.000 0.058) 5.992 12.540 ( -1.692 0.000 0.064) 1.693 12.593 ( 4.227 0.000 -3.062) 5.220 12.690 ( -0.356 0.000 -0.158) 0.389 12.995 ( 9.013 0.000 1.198) 9.093 13.000 ( 1.155 0.000 -1.519) 1.908 13.104 ( 1.420 0.000 3.229) 3.527 13.256 ( -0.636 0.000 0.181) 0.661 13.352 ( 5.244 0.000 -5.554) 7.639 13.413 ( 7.423 0.000 -5.180) 9.051 14.482 ( 5.099 0.000 -1.229) 5.245 14.541 ( 4.055 0.000 -2.636) 4.836 15.310 ( 4.497 0.000 -1.970) 4.909 15.412 ( 5.671 0.000 -2.876) 6.359 15.947 ( 0.661 0.000 -2.943) 3.017 15.971 ( 1.413 0.000 -1.038) 1.753 20.538 ( 0.670 0.000 1.694) 1.822 20.581 ( 0.614 0.000 0.962) 1.142 20.615 ( 0.587 0.000 1.491) 1.602 20.643 ( 0.051 0.000 0.299) 0.304 21.665 ( 3.759 0.000 0.365) 3.777 21.699 ( 3.267 0.000 1.131) 3.457 21.755 ( 3.069 0.000 0.889) 3.195 21.812 ( 2.535 0.000 1.469) 2.930 21.876 ( 3.934 0.000 1.984) 4.406 21.888 ( 4.231 0.000 1.371) 4.448 22.369 ( 1.084 0.000 1.194) 1.612 22.427 ( 2.787 0.000 1.929) 3.389 22.447 ( -0.544 0.000 0.395) 0.672 22.503 ( 0.381 0.000 1.686) 1.728 22.908 ( 4.540 0.000 -4.216) 6.196 22.916 ( 5.310 0.000 -4.618) 7.037 23.142 ( -0.269 0.000 0.395) 0.478 23.172 ( -0.551 0.000 0.160) 0.574 23.583 ( -4.037 0.000 -1.332) 4.251 23.663 ( -6.132 0.000 -4.005) 7.324 24.004 ( -0.606 0.000 -2.679) 2.747 24.163 ( -1.612 0.000 -5.179) 5.424 24.699 ( -0.266 0.000 -2.200) 2.216 24.717 ( -1.741 0.000 -4.721) 5.032 25.390 ( 2.071 0.000 -3.567) 4.125 25.422 ( 3.441 0.000 -2.820) 4.449 ======================= Grid point 67 (37/104) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -7.204 0.000 19.336) 20.634 1.980 ( 4.326 0.000 -11.958) 12.716 2.173 ( 7.641 0.000 -9.386) 12.103 2.242 ( 8.464 0.000 -10.225) 13.274 2.282 ( 10.182 0.000 -9.649) 14.028 2.355 ( 1.063 0.000 -3.426) 3.587 2.401 ( 8.379 0.000 -7.688) 11.371 2.440 ( 5.848 0.000 -6.751) 8.932 2.506 ( 0.532 0.000 -3.863) 3.899 2.516 ( -0.793 0.000 -11.741) 11.768 2.626 ( 0.571 0.000 0.335) 0.662 2.841 ( -2.732 0.000 2.585) 3.761 2.900 ( -2.293 0.000 -0.976) 2.492 3.018 ( -5.093 0.000 -2.330) 5.601 3.082 ( -3.298 0.000 -0.958) 3.434 3.107 ( 2.855 0.000 3.554) 4.559 3.245 ( 0.371 0.000 2.338) 2.368 3.306 ( 3.897 0.000 0.652) 3.951 3.342 ( 9.771 0.000 0.368) 9.778 3.400 ( 2.580 0.000 -1.024) 2.775 3.531 ( 4.107 0.000 0.306) 4.118 3.611 ( 7.560 0.000 -2.723) 8.035 3.658 ( 11.002 0.000 4.018) 11.712 3.720 ( 1.939 0.000 4.687) 5.072 3.731 ( -3.060 0.000 0.994) 3.217 3.836 ( -1.016 0.000 8.031) 8.095 3.914 ( 1.314 0.000 6.034) 6.176 3.922 ( 6.364 0.000 -0.249) 6.369 4.019 ( 3.711 0.000 4.390) 5.749 4.056 ( 0.318 0.000 7.639) 7.646 4.136 ( -0.523 0.000 -0.051) 0.525 4.161 ( 10.309 0.000 3.312) 10.828 4.204 ( 2.896 0.000 -0.672) 2.973 4.260 ( 8.847 0.000 0.745) 8.878 4.360 ( 0.311 0.000 3.193) 3.208 4.363 ( -1.773 0.000 0.545) 1.855 4.487 ( -1.058 0.000 9.164) 9.225 4.550 ( -10.871 0.000 3.618) 11.458 4.551 ( 7.501 0.000 -0.636) 7.528 4.565 ( 6.712 0.000 5.241) 8.516 4.632 ( -10.480 0.000 3.095) 10.927 4.649 ( -1.696 0.000 -3.502) 3.891 4.723 ( 0.002 0.000 3.390) 3.390 4.798 ( 4.571 0.000 -4.619) 6.498 4.813 ( 0.479 0.000 2.362) 2.410 4.822 ( 0.469 0.000 2.293) 2.340 4.870 ( 3.467 0.000 5.189) 6.240 4.908 ( 2.745 0.000 -2.292) 3.575 4.999 ( -0.214 0.000 -4.230) 4.235 5.047 ( -2.365 0.000 -3.185) 3.967 5.094 ( -2.363 0.000 2.631) 3.536 5.131 ( 3.465 0.000 3.127) 4.667 5.134 ( -0.989 0.000 4.201) 4.316 5.157 ( -3.139 0.000 5.592) 6.413 5.207 ( -2.673 0.000 0.570) 2.733 5.293 ( 1.028 0.000 0.443) 1.119 5.335 ( 9.289 0.000 0.016) 9.289 5.423 ( 2.352 0.000 -4.732) 5.284 5.489 ( -3.342 0.000 6.482) 7.292 5.530 ( 10.322 0.000 1.692) 10.459 5.543 ( -9.628 0.000 1.567) 9.755 5.575 ( 2.766 0.000 0.237) 2.776 5.606 ( 3.740 0.000 1.402) 3.995 5.621 ( 6.159 0.000 -0.856) 6.218 5.702 ( -4.373 0.000 1.026) 4.492 5.724 ( 7.447 0.000 2.308) 7.796 5.745 ( -2.859 0.000 -4.627) 5.439 5.877 ( 1.974 0.000 -1.876) 2.723 5.962 ( 2.701 0.000 -4.330) 5.103 6.037 ( -1.078 0.000 1.994) 2.267 6.059 ( 3.488 0.000 0.383) 3.509 6.160 ( -6.986 0.000 -0.302) 6.993 6.227 ( 0.432 0.000 3.015) 3.046 6.282 ( 8.971 0.000 -7.540) 11.719 6.330 ( 9.575 0.000 -5.432) 11.009 6.416 ( 0.502 0.000 -2.818) 2.862 6.462 ( 5.309 0.000 -6.650) 8.509 6.533 ( 2.484 0.000 -11.764) 12.023 6.644 ( 4.911 0.000 3.791) 6.204 6.671 ( -0.053 0.000 -4.257) 4.257 6.701 ( 8.774 0.000 -6.039) 10.651 6.775 ( -2.822 0.000 0.791) 2.930 6.777 ( 4.547 0.000 -1.444) 4.771 6.952 ( 4.210 0.000 8.675) 9.643 6.969 ( -2.138 0.000 -2.817) 3.537 7.094 ( 0.422 0.000 1.281) 1.348 7.112 ( -10.598 0.000 -1.438) 10.695 7.179 ( 2.585 0.000 0.571) 2.647 7.211 ( 0.040 0.000 -3.721) 3.722 7.234 ( 1.365 0.000 1.621) 2.119 7.277 ( 3.638 0.000 -2.446) 4.383 7.377 ( 2.900 0.000 1.888) 3.461 7.391 ( -5.384 0.000 1.445) 5.575 7.478 ( -4.266 0.000 3.655) 5.618 7.503 ( -9.888 0.000 0.390) 9.895 7.618 ( 1.863 0.000 2.733) 3.308 7.671 ( -1.216 0.000 5.995) 6.117 7.682 ( 2.247 0.000 -1.092) 2.499 7.732 ( -8.629 0.000 2.869) 9.094 7.766 ( -1.569 0.000 -2.707) 3.129 7.802 ( -2.652 0.000 3.920) 4.733 7.882 ( -0.157 0.000 -2.988) 2.992 7.912 ( -1.026 0.000 8.469) 8.531 7.948 ( 4.339 0.000 11.467) 12.260 7.977 ( -2.622 0.000 2.146) 3.388 8.124 ( -5.057 0.000 -0.206) 5.061 8.185 ( 0.279 0.000 -2.645) 2.660 8.235 ( 0.308 0.000 -5.931) 5.939 8.261 ( 0.194 0.000 0.742) 0.767 8.273 ( -4.007 0.000 3.626) 5.404 8.342 ( -8.286 0.000 -1.644) 8.447 8.434 ( 2.788 0.000 -1.951) 3.403 8.482 ( -3.658 0.000 -5.738) 6.805 8.592 ( 5.234 0.000 -0.439) 5.252 8.626 ( 4.908 0.000 1.447) 5.117 8.755 ( 2.506 0.000 3.677) 4.450 8.776 ( -5.139 0.000 -0.912) 5.219 8.831 ( -1.733 0.000 0.907) 1.956 8.925 ( -1.807 0.000 3.258) 3.725 8.968 ( 5.202 0.000 -0.623) 5.239 9.159 ( 5.087 0.000 0.751) 5.142 9.169 ( 4.077 0.000 -5.335) 6.715 9.259 ( -1.309 0.000 -7.225) 7.342 9.443 ( 0.704 0.000 3.230) 3.305 9.467 ( 4.611 0.000 -4.921) 6.744 9.510 ( -0.601 0.000 -5.060) 5.095 9.635 ( -2.317 0.000 -0.106) 2.319 9.787 ( -2.097 0.000 -0.298) 2.118 9.795 ( -0.487 0.000 2.555) 2.601 9.897 ( -4.713 0.000 -2.170) 5.188 9.982 ( -1.791 0.000 0.417) 1.839 9.982 ( -6.715 0.000 -3.159) 7.421 10.173 ( -0.908 0.000 0.179) 0.925 10.349 ( -3.840 0.000 1.271) 4.044 10.390 ( -6.881 0.000 0.422) 6.894 10.414 ( -4.607 0.000 -1.703) 4.911 11.423 ( -3.888 0.000 2.790) 4.785 11.552 ( -4.408 0.000 1.326) 4.603 11.676 ( -1.427 0.000 2.640) 3.001 11.695 ( -5.604 0.000 3.172) 6.439 11.758 ( -0.154 0.000 2.391) 2.396 12.066 ( 0.407 0.000 -2.213) 2.250 12.236 ( -0.565 0.000 4.307) 4.344 12.414 ( 2.948 0.000 1.452) 3.286 12.518 ( -1.176 0.000 0.383) 1.237 12.611 ( 4.353 0.000 1.322) 4.549 12.651 ( 4.524 0.000 -0.410) 4.543 12.685 ( -0.610 0.000 0.893) 1.081 13.023 ( 1.992 0.000 1.045) 2.249 13.152 ( 0.119 0.000 4.335) 4.337 13.153 ( 6.848 0.000 3.293) 7.599 13.252 ( -0.808 0.000 1.888) 2.054 13.404 ( 5.347 0.000 -2.524) 5.912 13.499 ( 6.700 0.000 -2.035) 7.002 14.561 ( 4.506 0.000 0.395) 4.524 14.603 ( 4.700 0.000 -0.267) 4.708 15.375 ( 4.080 0.000 0.114) 4.081 15.484 ( 5.007 0.000 -1.165) 5.141 15.949 ( 2.065 0.000 -1.082) 2.332 15.988 ( 1.236 0.000 -0.231) 1.258 20.573 ( 0.857 0.000 2.752) 2.882 20.606 ( 0.779 0.000 1.573) 1.755 20.647 ( 0.720 0.000 2.556) 2.655 20.657 ( 0.714 0.000 1.282) 1.468 21.724 ( 2.787 0.000 0.375) 2.812 21.759 ( 2.539 0.000 1.085) 2.761 21.812 ( 2.483 0.000 1.078) 2.707 21.865 ( 1.693 0.000 1.921) 2.561 21.953 ( 2.485 0.000 2.990) 3.888 21.975 ( 3.418 0.000 2.744) 4.383 22.373 ( -1.073 0.000 -0.748) 1.308 22.416 ( -2.143 0.000 -2.062) 2.974 22.483 ( 1.721 0.000 1.577) 2.334 22.518 ( 0.250 0.000 0.651) 0.697 22.900 ( 1.951 0.000 -8.793) 9.007 22.922 ( 2.832 0.000 -8.270) 8.741 23.115 ( -1.942 0.000 -2.127) 2.880 23.135 ( -2.431 0.000 -2.437) 3.443 23.482 ( -4.742 0.000 -4.541) 6.565 23.520 ( -5.630 0.000 -5.890) 8.148 23.986 ( 0.891 0.000 -1.403) 1.662 24.123 ( 0.975 0.000 -2.331) 2.527 24.683 ( 1.537 0.000 -1.800) 2.367 24.690 ( 0.851 0.000 -0.840) 1.195 25.414 ( 3.642 0.000 -1.085) 3.800 25.465 ( 3.888 0.000 -0.859) 3.981 ======================= Grid point 69 (38/104) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 2.208 0.000 20.448) 20.567 1.887 ( -1.312 0.000 -12.047) 12.118 2.160 ( -0.254 0.000 -11.309) 11.312 2.206 ( -2.344 0.000 -13.023) 13.233 2.286 ( -3.849 0.000 -12.354) 12.940 2.342 ( -1.935 0.000 -2.081) 2.842 2.418 ( 10.672 0.000 -2.672) 11.002 2.421 ( 2.067 0.000 -4.669) 5.106 2.520 ( 9.301 0.000 -3.805) 10.050 2.526 ( 6.953 0.000 -2.423) 7.363 2.672 ( -6.055 0.000 3.172) 6.836 2.747 ( -3.945 0.000 1.928) 4.391 2.833 ( -3.474 0.000 -2.731) 4.418 2.890 ( -7.545 0.000 -0.038) 7.546 2.918 ( -10.440 0.000 -3.202) 10.920 3.120 ( -2.042 0.000 1.815) 2.732 3.190 ( -9.138 0.000 -1.592) 9.275 3.339 ( -4.187 0.000 -2.243) 4.750 3.353 ( 0.062 0.000 2.925) 2.926 3.433 ( -0.876 0.000 1.108) 1.412 3.620 ( 2.994 0.000 3.601) 4.683 3.657 ( -1.492 0.000 0.466) 1.563 3.748 ( 2.875 0.000 2.048) 3.529 3.794 ( 0.792 0.000 3.815) 3.896 3.849 ( -2.591 0.000 1.328) 2.912 3.883 ( 7.757 0.000 -3.864) 8.666 3.955 ( 0.834 0.000 -1.002) 1.303 4.014 ( -7.348 0.000 4.131) 8.430 4.030 ( 0.166 0.000 3.884) 3.887 4.039 ( -12.696 0.000 -1.775) 12.819 4.065 ( -4.018 0.000 1.627) 4.335 4.096 ( -8.629 0.000 -3.738) 9.404 4.237 ( -4.517 0.000 -0.821) 4.591 4.301 ( 0.024 0.000 1.301) 1.302 4.342 ( -10.189 0.000 7.517) 12.662 4.361 ( -2.948 0.000 0.964) 3.101 4.407 ( 1.208 0.000 -0.987) 1.560 4.464 ( 1.241 0.000 -3.813) 4.009 4.487 ( -12.286 0.000 5.960) 13.656 4.534 ( -7.150 0.000 -1.164) 7.244 4.623 ( -1.115 0.000 4.410) 4.549 4.625 ( 2.375 0.000 -1.394) 2.754 4.714 ( -5.765 0.000 -1.865) 6.059 4.791 ( -4.758 0.000 -2.667) 5.455 4.837 ( 5.922 0.000 -1.088) 6.021 4.840 ( -8.562 0.000 -4.857) 9.843 4.950 ( 0.244 0.000 -2.376) 2.389 4.958 ( 1.331 0.000 -3.404) 3.655 4.967 ( -1.056 0.000 2.068) 2.322 5.022 ( 6.259 0.000 0.928) 6.328 5.051 ( -9.098 0.000 0.813) 9.135 5.066 ( -3.000 0.000 0.110) 3.002 5.177 ( 8.185 0.000 0.884) 8.232 5.220 ( 0.108 0.000 3.683) 3.684 5.257 ( 5.404 0.000 3.780) 6.595 5.328 ( -0.413 0.000 -4.485) 4.504 5.438 ( 0.434 0.000 -2.582) 2.619 5.452 ( 6.650 0.000 0.184) 6.652 5.497 ( -7.483 0.000 -1.811) 7.699 5.522 ( 6.467 0.000 10.681) 12.486 5.559 ( -4.182 0.000 2.425) 4.834 5.605 ( 0.107 0.000 2.926) 2.928 5.677 ( 4.050 0.000 -3.200) 5.162 5.774 ( 13.269 0.000 5.496) 14.362 5.792 ( 4.141 0.000 7.690) 8.734 5.871 ( 8.631 0.000 6.254) 10.659 5.921 ( 7.316 0.000 7.220) 10.279 5.997 ( 10.568 0.000 3.179) 11.036 6.031 ( -0.202 0.000 7.772) 7.774 6.045 ( 4.747 0.000 2.305) 5.277 6.103 ( 3.230 0.000 -0.563) 3.279 6.117 ( 11.293 0.000 0.301) 11.297 6.159 ( -5.490 0.000 1.326) 5.648 6.328 ( -4.543 0.000 1.683) 4.845 6.393 ( 7.410 0.000 -4.508) 8.674 6.430 ( -1.143 0.000 -3.365) 3.554 6.477 ( 6.788 0.000 -3.201) 7.505 6.516 ( 6.457 0.000 -4.448) 7.841 6.650 ( 1.361 0.000 -3.475) 3.732 6.711 ( 2.137 0.000 -1.036) 2.375 6.739 ( -0.756 0.000 -9.931) 9.960 6.779 ( -1.378 0.000 7.205) 7.336 6.789 ( -1.025 0.000 1.721) 2.003 6.829 ( -5.219 0.000 -2.639) 5.848 6.935 ( -3.931 0.000 -2.068) 4.441 6.937 ( -8.332 0.000 -5.767) 10.133 7.091 ( -5.827 0.000 1.468) 6.009 7.144 ( -7.943 0.000 -2.265) 8.260 7.206 ( -1.313 0.000 -0.705) 1.490 7.258 ( -7.524 0.000 -5.076) 9.076 7.273 ( -6.777 0.000 3.581) 7.665 7.320 ( -0.040 0.000 2.918) 2.919 7.370 ( 0.763 0.000 1.314) 1.520 7.411 ( -4.446 0.000 -0.866) 4.530 7.442 ( -2.268 0.000 0.042) 2.268 7.599 ( -6.636 0.000 4.137) 7.820 7.630 ( -3.528 0.000 1.400) 3.796 7.647 ( 0.604 0.000 2.286) 2.364 7.732 ( 9.141 0.000 0.174) 9.143 7.792 ( 5.159 0.000 -0.958) 5.247 7.827 ( -6.622 0.000 4.539) 8.028 7.925 ( 2.057 0.000 -1.477) 2.533 7.960 ( 1.973 0.000 0.249) 1.989 7.975 ( 4.399 0.000 1.011) 4.514 8.085 ( 2.605 0.000 7.379) 7.826 8.096 ( -2.744 0.000 2.464) 3.688 8.184 ( 0.127 0.000 1.753) 1.758 8.195 ( 0.218 0.000 -2.119) 2.131 8.251 ( -1.755 0.000 1.606) 2.379 8.268 ( 1.952 0.000 -0.689) 2.070 8.280 ( 2.350 0.000 -0.845) 2.497 8.392 ( -0.541 0.000 1.115) 1.240 8.459 ( 1.145 0.000 1.011) 1.528 8.626 ( -0.028 0.000 -2.635) 2.636 8.695 ( -3.601 0.000 -0.032) 3.601 8.764 ( 5.146 0.000 0.194) 5.149 8.817 ( 3.549 0.000 3.372) 4.895 8.887 ( 3.778 0.000 2.661) 4.621 9.016 ( 9.897 0.000 5.637) 11.389 9.057 ( 6.790 0.000 -4.064) 7.913 9.183 ( 4.245 0.000 -6.071) 7.408 9.202 ( 3.129 0.000 -5.292) 6.148 9.277 ( 3.487 0.000 2.439) 4.256 9.481 ( 4.008 0.000 -5.682) 6.954 9.512 ( 4.434 0.000 -0.198) 4.439 9.535 ( 7.292 0.000 -4.122) 8.377 9.651 ( 1.650 0.000 4.162) 4.478 9.794 ( 0.016 0.000 -1.754) 1.754 9.810 ( 3.345 0.000 2.936) 4.451 9.861 ( -3.250 0.000 -3.560) 4.820 9.875 ( 2.809 0.000 2.070) 3.490 10.009 ( 3.381 0.000 1.104) 3.556 10.133 ( -3.508 0.000 -1.000) 3.648 10.280 ( -5.004 0.000 -1.760) 5.304 10.306 ( -0.377 0.000 -1.595) 1.639 10.339 ( -1.889 0.000 -2.658) 3.260 11.407 ( -0.489 0.000 1.437) 1.517 11.510 ( -1.346 0.000 0.048) 1.347 11.620 ( -2.724 0.000 -2.122) 3.453 11.659 ( -2.304 0.000 0.029) 2.305 11.809 ( -0.662 0.000 7.894) 7.921 12.113 ( 5.910 0.000 1.041) 6.001 12.265 ( -1.475 0.000 4.980) 5.194 12.469 ( 0.547 0.000 3.520) 3.562 12.511 ( -0.498 0.000 1.195) 1.295 12.676 ( -0.781 0.000 3.603) 3.687 12.701 ( 2.797 0.000 0.908) 2.941 12.737 ( 5.154 0.000 1.462) 5.358 13.086 ( 1.991 0.000 4.814) 5.209 13.193 ( -0.519 0.000 5.060) 5.087 13.250 ( -0.788 0.000 5.601) 5.656 13.299 ( 4.059 0.000 2.846) 4.957 13.474 ( 3.707 0.000 0.468) 3.736 13.588 ( 4.336 0.000 0.448) 4.359 14.635 ( 3.114 0.000 1.377) 3.405 14.684 ( 4.223 0.000 1.130) 4.372 15.444 ( 3.281 0.000 1.271) 3.519 15.551 ( 3.416 0.000 -0.160) 3.420 15.996 ( 3.833 0.000 0.310) 3.846 16.007 ( 1.070 0.000 0.012) 1.070 20.615 ( 0.505 0.000 3.286) 3.325 20.635 ( 0.660 0.000 2.006) 2.112 20.684 ( 0.379 0.000 3.021) 3.045 20.691 ( 1.426 0.000 2.060) 2.505 21.761 ( 1.115 0.000 0.335) 1.164 21.800 ( 1.024 0.000 0.967) 1.409 21.853 ( 0.775 0.000 1.212) 1.439 21.906 ( 0.989 0.000 2.216) 2.426 22.017 ( 0.960 0.000 4.184) 4.293 22.051 ( 1.707 0.000 4.007) 4.356 22.320 ( -3.128 0.000 -2.443) 3.969 22.341 ( -3.429 0.000 -3.397) 4.827 22.505 ( -0.702 0.000 0.227) 0.737 22.522 ( -0.410 0.000 -0.162) 0.440 22.808 ( -1.032 0.000 -11.974) 12.019 22.859 ( 1.113 0.000 -11.333) 11.388 23.042 ( -3.310 0.000 -3.432) 4.768 23.053 ( -3.745 0.000 -3.359) 5.031 23.339 ( -6.074 0.000 -6.033) 8.561 23.357 ( -6.402 0.000 -6.916) 9.424 24.006 ( 2.444 0.000 -0.388) 2.475 24.147 ( 3.957 0.000 -1.327) 4.173 24.709 ( 2.092 0.000 -0.407) 2.131 24.735 ( 5.556 0.000 -0.182) 5.559 25.490 ( 5.524 0.000 0.400) 5.539 25.536 ( 4.977 0.000 0.049) 4.978 ======================= Grid point 70 (39/104) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 1.804 0.000 10.755) 10.905 1.668 ( -14.407 0.000 -7.065) 16.047 1.903 ( -12.126 0.000 -9.452) 15.375 1.983 ( -16.845 0.000 -4.634) 17.471 2.095 ( -20.499 0.000 -4.881) 21.072 2.198 ( -4.064 0.000 -3.924) 5.649 2.406 ( 5.938 0.000 -9.946) 11.583 2.529 ( -1.655 0.000 -2.459) 2.964 2.567 ( -1.967 0.000 5.310) 5.663 2.617 ( -1.207 0.000 -1.981) 2.320 2.648 ( 10.353 0.000 0.340) 10.359 2.728 ( -1.414 0.000 -5.738) 5.910 2.752 ( 3.842 0.000 -1.958) 4.313 2.796 ( -4.444 0.000 1.188) 4.600 2.856 ( 2.542 0.000 6.764) 7.225 2.950 ( -13.658 0.000 0.088) 13.658 3.143 ( 1.795 0.000 2.857) 3.375 3.302 ( 3.085 0.000 -1.737) 3.541 3.320 ( -10.829 0.000 0.773) 10.857 3.390 ( -4.495 0.000 1.774) 4.833 3.581 ( -13.975 0.000 1.542) 14.060 3.633 ( -3.853 0.000 -0.157) 3.856 3.665 ( -13.103 0.000 -3.354) 13.525 3.686 ( -17.795 0.000 -4.103) 18.262 3.703 ( -15.262 0.000 -3.597) 15.680 3.779 ( -4.953 0.000 4.326) 6.576 3.780 ( -13.950 0.000 0.000) 13.950 3.849 ( -11.401 0.000 0.824) 11.430 3.943 ( -4.037 0.000 5.781) 7.051 3.994 ( 0.908 0.000 -3.160) 3.288 4.067 ( -2.951 0.000 0.684) 3.029 4.089 ( 2.458 0.000 -3.114) 3.968 4.140 ( -16.838 0.000 -1.289) 16.887 4.167 ( -8.474 0.000 -1.676) 8.638 4.232 ( -4.667 0.000 -8.117) 9.363 4.233 ( -6.404 0.000 1.208) 6.516 4.302 ( -10.446 0.000 6.622) 12.368 4.305 ( -12.852 0.000 1.410) 12.929 4.468 ( -9.575 0.000 -1.455) 9.685 4.496 ( -7.871 0.000 -1.853) 8.087 4.561 ( -1.179 0.000 -1.271) 1.734 4.594 ( 1.813 0.000 1.437) 2.313 4.645 ( -2.621 0.000 0.476) 2.664 4.673 ( 4.860 0.000 -3.317) 5.884 4.759 ( -6.831 0.000 -6.290) 9.286 4.816 ( 3.843 0.000 3.686) 5.325 4.870 ( -9.625 0.000 -5.653) 11.162 4.928 ( -4.698 0.000 0.682) 4.748 4.961 ( -0.188 0.000 -2.867) 2.873 4.969 ( 6.089 0.000 0.708) 6.130 5.005 ( 0.239 0.000 2.106) 2.119 5.111 ( -2.432 0.000 0.697) 2.530 5.206 ( -0.833 0.000 -3.542) 3.638 5.242 ( -1.034 0.000 -0.380) 1.102 5.358 ( 5.924 0.000 -0.082) 5.925 5.375 ( -8.047 0.000 2.013) 8.295 5.406 ( 3.995 0.000 -0.395) 4.014 5.426 ( -1.880 0.000 1.980) 2.730 5.453 ( 6.040 0.000 -2.212) 6.432 5.578 ( -0.074 0.000 2.437) 2.438 5.679 ( -1.532 0.000 0.645) 1.662 5.762 ( 6.528 0.000 9.123) 11.218 5.790 ( 12.522 0.000 2.894) 12.852 5.849 ( -0.312 0.000 6.196) 6.204 5.866 ( -1.872 0.000 5.565) 5.871 5.945 ( -2.626 0.000 2.531) 3.647 6.054 ( -1.436 0.000 2.868) 3.208 6.111 ( -5.246 0.000 -1.619) 5.490 6.128 ( 5.314 0.000 2.673) 5.948 6.222 ( 10.914 0.000 0.972) 10.957 6.265 ( 13.172 0.000 2.247) 13.362 6.294 ( -3.613 0.000 10.011) 10.642 6.310 ( 4.411 0.000 7.242) 8.479 6.341 ( 5.170 0.000 5.947) 7.881 6.436 ( -0.399 0.000 5.224) 5.240 6.475 ( -0.226 0.000 2.790) 2.799 6.543 ( 8.633 0.000 0.219) 8.635 6.593 ( -0.768 0.000 -1.089) 1.332 6.624 ( 0.751 0.000 -3.406) 3.488 6.625 ( 10.471 0.000 3.585) 11.068 6.635 ( -13.829 0.000 -7.276) 15.626 6.733 ( -11.303 0.000 -1.473) 11.399 6.764 ( 1.192 0.000 0.773) 1.421 6.764 ( 1.107 0.000 2.865) 3.071 6.859 ( -2.366 0.000 0.917) 2.538 6.884 ( 4.014 0.000 2.907) 4.956 6.979 ( -4.439 0.000 4.355) 6.219 7.000 ( -2.088 0.000 -0.658) 2.189 7.126 ( -7.706 0.000 2.064) 7.977 7.138 ( -2.338 0.000 -3.126) 3.904 7.232 ( -0.616 0.000 2.304) 2.385 7.238 ( -11.487 0.000 -4.997) 12.527 7.343 ( 0.830 0.000 1.474) 1.691 7.411 ( 4.120 0.000 2.843) 5.006 7.474 ( 7.466 0.000 0.673) 7.496 7.571 ( -2.665 0.000 -2.266) 3.498 7.597 ( -2.337 0.000 3.317) 4.057 7.710 ( 3.101 0.000 3.409) 4.609 7.730 ( -4.172 0.000 0.208) 4.177 7.856 ( -1.557 0.000 -1.730) 2.328 7.904 ( 1.796 0.000 0.239) 1.812 7.913 ( 11.733 0.000 -3.803) 12.334 7.977 ( 0.390 0.000 -3.734) 3.754 8.029 ( 0.757 0.000 0.996) 1.251 8.107 ( 2.424 0.000 -2.492) 3.477 8.158 ( 4.587 0.000 -0.692) 4.639 8.228 ( 4.814 0.000 0.565) 4.847 8.256 ( 6.093 0.000 -1.338) 6.239 8.281 ( 1.965 0.000 1.732) 2.619 8.318 ( 2.743 0.000 1.740) 3.248 8.391 ( 9.197 0.000 5.152) 10.541 8.439 ( 1.958 0.000 4.441) 4.854 8.486 ( 0.152 0.000 0.265) 0.306 8.607 ( -2.624 0.000 0.313) 2.643 8.635 ( 2.911 0.000 -3.148) 4.288 8.833 ( 2.687 0.000 -1.182) 2.936 8.888 ( 0.715 0.000 3.056) 3.138 8.970 ( 2.152 0.000 2.863) 3.581 9.076 ( 4.365 0.000 -8.742) 9.771 9.146 ( -1.899 0.000 -7.582) 7.816 9.262 ( 10.261 0.000 4.058) 11.034 9.273 ( 7.941 0.000 -2.409) 8.298 9.335 ( -0.251 0.000 4.441) 4.448 9.490 ( 3.768 0.000 -8.299) 9.115 9.566 ( 4.742 0.000 -4.353) 6.437 9.634 ( 7.278 0.000 -0.662) 7.308 9.726 ( 2.794 0.000 1.079) 2.995 9.807 ( -0.015 0.000 -2.172) 2.172 9.813 ( 4.532 0.000 -0.852) 4.611 9.931 ( 7.010 0.000 0.798) 7.055 10.002 ( 9.227 0.000 1.810) 9.403 10.069 ( -1.171 0.000 -2.588) 2.840 10.106 ( 7.370 0.000 0.221) 7.373 10.205 ( -0.672 0.000 -2.626) 2.711 10.245 ( -3.925 0.000 -1.739) 4.293 10.359 ( 7.384 0.000 -4.307) 8.549 11.443 ( 4.495 0.000 -0.235) 4.502 11.514 ( 2.682 0.000 -0.617) 2.752 11.585 ( 1.769 0.000 -2.902) 3.398 11.620 ( -1.021 0.000 -0.801) 1.298 11.869 ( -1.993 0.000 8.667) 8.893 12.247 ( 7.318 0.000 0.659) 7.348 12.276 ( -2.818 0.000 4.877) 5.632 12.508 ( 0.065 0.000 4.509) 4.510 12.522 ( -0.445 0.000 2.649) 2.686 12.683 ( -2.543 0.000 4.336) 5.027 12.763 ( 2.606 0.000 1.171) 2.857 12.846 ( 5.379 0.000 2.027) 5.748 13.173 ( 0.854 0.000 8.086) 8.131 13.233 ( -0.526 0.000 5.237) 5.264 13.293 ( -1.257 0.000 7.256) 7.364 13.369 ( 0.775 0.000 2.202) 2.334 13.522 ( 0.094 0.000 2.211) 2.213 13.635 ( 0.150 0.000 0.711) 0.727 14.686 ( 1.404 0.000 1.216) 1.858 14.757 ( 3.064 0.000 1.021) 3.229 15.504 ( 2.248 0.000 1.084) 2.495 15.590 ( 1.286 0.000 -0.247) 1.309 16.023 ( 1.048 0.000 -0.334) 1.100 16.074 ( 4.539 0.000 0.567) 4.575 20.644 ( -0.686 0.000 2.733) 2.818 20.666 ( 0.691 0.000 2.092) 2.203 20.714 ( -0.061 0.000 2.564) 2.565 20.742 ( 2.166 0.000 2.294) 3.155 21.764 ( -1.212 0.000 0.389) 1.272 21.804 ( -1.437 0.000 0.193) 1.450 21.859 ( -1.317 0.000 1.639) 2.102 21.945 ( 1.471 0.000 1.603) 2.175 22.064 ( -0.578 0.000 5.204) 5.236 22.105 ( -0.154 0.000 4.325) 4.327 22.233 ( -4.049 0.000 -2.471) 4.743 22.243 ( -4.269 0.000 -3.129) 5.293 22.440 ( -4.966 0.000 -4.619) 6.782 22.483 ( -2.835 0.000 -3.241) 4.306 22.642 ( -4.401 0.000 -12.732) 13.471 22.761 ( 1.238 0.000 -12.903) 12.962 22.951 ( -3.707 0.000 -2.153) 4.287 22.960 ( -3.826 0.000 -1.727) 4.198 23.180 ( -6.637 0.000 -3.421) 7.467 23.189 ( -6.775 0.000 -3.302) 7.537 24.056 ( 3.549 0.000 0.022) 3.549 24.233 ( 8.210 0.000 -1.837) 8.413 24.752 ( 3.666 0.000 -0.786) 3.749 24.858 ( 9.105 0.000 -0.404) 9.114 25.594 ( 6.105 0.000 0.033) 6.106 25.626 ( 5.832 0.000 -0.782) 5.884 ======================= Grid point 71 (40/104) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -24.384 0.000 9.659) 26.228 1.423 ( -35.444 0.000 4.123) 35.683 1.588 ( -11.302 0.000 5.116) 12.406 1.668 ( -11.864 0.000 5.024) 12.884 1.891 ( -10.050 0.000 5.422) 11.419 1.970 ( -14.114 0.000 -4.401) 14.784 2.378 ( -8.887 0.000 -0.668) 8.913 2.463 ( 8.972 0.000 -6.492) 11.075 2.527 ( -6.702 0.000 -0.442) 6.717 2.576 ( -3.390 0.000 -0.801) 3.484 2.587 ( -17.371 0.000 4.963) 18.066 2.730 ( 0.321 0.000 -5.926) 5.935 2.817 ( -7.776 0.000 -7.697) 10.941 2.828 ( 6.711 0.000 -2.961) 7.335 2.929 ( 3.750 0.000 2.532) 4.525 2.948 ( -1.611 0.000 1.221) 2.022 3.027 ( -20.668 0.000 1.379) 20.714 3.057 ( -14.034 0.000 0.054) 14.034 3.203 ( -22.019 0.000 -0.282) 22.020 3.219 ( -0.356 0.000 2.265) 2.293 3.272 ( -16.898 0.000 -4.739) 17.550 3.374 ( -5.355 0.000 5.554) 7.715 3.375 ( -12.046 0.000 2.869) 12.383 3.504 ( -10.034 0.000 -4.935) 11.182 3.518 ( -14.246 0.000 -2.870) 14.532 3.568 ( -4.819 0.000 -4.094) 6.323 3.679 ( -10.634 0.000 -1.206) 10.702 3.750 ( -11.099 0.000 2.392) 11.353 3.851 ( -4.255 0.000 2.726) 5.053 3.890 ( -10.200 0.000 -3.624) 10.824 3.928 ( -15.060 0.000 -2.223) 15.223 3.933 ( -11.702 0.000 -1.787) 11.838 3.996 ( -4.300 0.000 -1.620) 4.595 4.042 ( -2.745 0.000 -6.248) 6.824 4.078 ( 0.100 0.000 -6.541) 6.542 4.082 ( 0.987 0.000 3.754) 3.882 4.230 ( -3.290 0.000 2.591) 4.187 4.287 ( -0.836 0.000 2.330) 2.476 4.298 ( -7.728 0.000 -2.018) 7.987 4.342 ( -5.562 0.000 2.336) 6.033 4.492 ( -7.747 0.000 3.015) 8.313 4.501 ( -1.747 0.000 -2.496) 3.047 4.584 ( -1.784 0.000 -0.830) 1.968 4.661 ( -4.565 0.000 -5.911) 7.469 4.765 ( -6.907 0.000 2.731) 7.428 4.820 ( -4.775 0.000 1.743) 5.083 4.872 ( 4.204 0.000 3.385) 5.397 4.894 ( -0.265 0.000 1.474) 1.497 4.944 ( 0.740 0.000 1.282) 1.481 4.976 ( -2.387 0.000 0.486) 2.436 5.022 ( 1.010 0.000 -1.256) 1.611 5.114 ( -1.382 0.000 4.407) 4.618 5.217 ( 1.143 0.000 2.604) 2.844 5.221 ( 3.342 0.000 -0.417) 3.368 5.285 ( -4.174 0.000 1.125) 4.323 5.291 ( -12.866 0.000 -0.967) 12.902 5.445 ( 0.822 0.000 3.276) 3.377 5.460 ( -4.359 0.000 0.714) 4.417 5.476 ( 4.176 0.000 1.046) 4.305 5.615 ( 1.215 0.000 1.522) 1.947 5.661 ( -5.990 0.000 0.389) 6.003 5.775 ( -9.313 0.000 2.457) 9.632 5.785 ( -6.459 0.000 -0.762) 6.504 5.893 ( -0.407 0.000 -2.872) 2.901 5.914 ( -6.347 0.000 2.105) 6.687 5.982 ( -1.276 0.000 2.294) 2.625 5.988 ( 3.321 0.000 0.128) 3.323 6.140 ( -10.573 0.000 0.273) 10.576 6.143 ( 3.834 0.000 0.462) 3.862 6.190 ( -7.144 0.000 -1.103) 7.229 6.195 ( -1.247 0.000 0.295) 1.282 6.285 ( -9.058 0.000 2.179) 9.317 6.317 ( -4.128 0.000 1.377) 4.352 6.457 ( 11.248 0.000 -1.265) 11.319 6.476 ( -4.568 0.000 -0.187) 4.572 6.543 ( 11.762 0.000 6.489) 13.433 6.592 ( -1.087 0.000 4.812) 4.933 6.623 ( -0.387 0.000 3.062) 3.086 6.628 ( -1.905 0.000 5.665) 5.976 6.661 ( 4.957 0.000 3.320) 5.966 6.683 ( -0.944 0.000 6.974) 7.037 6.821 ( -6.166 0.000 -4.349) 7.545 6.865 ( 8.561 0.000 2.440) 8.901 6.871 ( 6.548 0.000 -1.761) 6.781 6.878 ( 2.173 0.000 1.623) 2.712 6.922 ( 13.325 0.000 1.735) 13.437 6.975 ( 3.470 0.000 2.462) 4.255 7.101 ( 5.600 0.000 4.634) 7.269 7.146 ( 5.840 0.000 1.038) 5.931 7.168 ( 3.419 0.000 2.592) 4.291 7.173 ( 9.662 0.000 6.673) 11.743 7.219 ( 3.106 0.000 0.243) 3.116 7.386 ( -3.356 0.000 -1.326) 3.609 7.512 ( 1.127 0.000 -3.494) 3.671 7.520 ( 4.680 0.000 1.462) 4.903 7.572 ( -1.925 0.000 1.404) 2.382 7.640 ( 9.783 0.000 1.992) 9.984 7.690 ( 0.562 0.000 -1.504) 1.605 7.697 ( -5.392 0.000 -1.656) 5.641 7.801 ( -2.981 0.000 -1.533) 3.352 7.934 ( 2.353 0.000 4.202) 4.816 8.012 ( 0.551 0.000 -5.819) 5.845 8.047 ( 6.165 0.000 1.408) 6.323 8.069 ( 6.998 0.000 -0.781) 7.041 8.099 ( 3.199 0.000 -1.445) 3.511 8.258 ( 3.498 0.000 2.294) 4.183 8.312 ( 5.159 0.000 -4.753) 7.015 8.328 ( 5.887 0.000 -0.509) 5.909 8.332 ( 3.418 0.000 -0.524) 3.458 8.393 ( 5.237 0.000 -0.550) 5.266 8.422 ( -1.925 0.000 -1.451) 2.410 8.499 ( 1.292 0.000 0.234) 1.313 8.635 ( 0.569 0.000 -1.911) 1.994 8.655 ( 5.776 0.000 6.743) 8.879 8.669 ( 10.788 0.000 3.280) 11.275 8.821 ( -1.243 0.000 -3.688) 3.892 8.901 ( -0.840 0.000 1.127) 1.405 8.982 ( -2.081 0.000 -0.561) 2.156 9.022 ( -2.600 0.000 -7.638) 8.068 9.072 ( 2.401 0.000 -5.288) 5.808 9.294 ( -1.330 0.000 -2.074) 2.463 9.377 ( 0.614 0.000 -4.622) 4.663 9.408 ( 3.747 0.000 2.704) 4.621 9.472 ( 2.460 0.000 0.896) 2.618 9.608 ( 4.115 0.000 -1.540) 4.393 9.740 ( 7.380 0.000 -7.469) 10.500 9.764 ( 3.728 0.000 -4.061) 5.513 9.793 ( -0.728 0.000 2.701) 2.797 9.898 ( 4.714 0.000 0.136) 4.716 9.994 ( 1.692 0.000 -5.200) 5.469 10.051 ( 0.824 0.000 -1.124) 1.394 10.137 ( 3.501 0.000 -0.247) 3.510 10.195 ( -0.595 0.000 0.861) 1.047 10.226 ( 7.464 0.000 0.218) 7.467 10.309 ( 16.313 0.000 -1.667) 16.398 10.483 ( 12.812 0.000 -6.164) 14.218 11.566 ( 10.140 0.000 0.113) 10.140 11.605 ( 8.126 0.000 -1.589) 8.280 11.632 ( 6.688 0.000 0.245) 6.692 11.633 ( 2.403 0.000 1.880) 3.051 11.901 ( -2.561 0.000 6.405) 6.898 12.270 ( -2.820 0.000 4.194) 5.054 12.323 ( 2.339 0.000 -2.300) 3.281 12.538 ( -0.523 0.000 2.722) 2.772 12.578 ( 3.671 0.000 2.320) 4.343 12.667 ( -4.073 0.000 3.459) 5.344 12.797 ( 0.567 0.000 -0.625) 0.844 12.928 ( 2.883 0.000 -1.190) 3.119 13.262 ( 0.302 0.000 8.144) 8.150 13.271 ( -0.473 0.000 3.382) 3.415 13.317 ( -4.341 0.000 3.917) 5.847 13.378 ( -0.884 0.000 2.398) 2.556 13.516 ( -3.686 0.000 4.095) 5.509 13.592 ( -5.070 0.000 -1.319) 5.239 14.702 ( 0.078 0.000 -0.593) 0.599 14.800 ( 1.669 0.000 -0.761) 1.835 15.533 ( 0.766 0.000 -0.816) 1.119 15.585 ( -1.003 0.000 -1.453) 1.766 16.034 ( 1.018 0.000 -1.222) 1.590 16.145 ( 3.375 0.000 -0.430) 3.403 20.639 ( -2.170 0.000 1.301) 2.530 20.696 ( 0.862 0.000 1.132) 1.423 20.729 ( -0.123 0.000 0.998) 1.005 20.802 ( 2.710 0.000 1.167) 2.950 21.724 ( -3.948 0.000 0.087) 3.949 21.746 ( -4.794 0.000 -1.843) 5.137 21.851 ( -1.831 0.000 2.401) 3.020 21.975 ( 1.139 0.000 -1.034) 1.538 22.096 ( -1.603 0.000 4.645) 4.914 22.113 ( -2.526 0.000 1.066) 2.742 22.146 ( -4.165 0.000 -1.243) 4.347 22.149 ( -4.101 0.000 -0.705) 4.161 22.265 ( -7.209 0.000 -8.273) 10.973 22.354 ( -6.356 0.000 -6.695) 9.232 22.430 ( -8.023 0.000 -8.238) 11.500 22.628 ( -1.813 0.000 -15.185) 15.293 22.895 ( -2.411 0.000 1.587) 2.886 22.909 ( -2.096 0.000 1.294) 2.463 23.085 ( -4.446 0.000 5.153) 6.806 23.131 ( -1.144 0.000 9.889) 9.955 24.119 ( 3.835 0.000 -0.272) 3.844 24.390 ( 13.820 0.000 -4.171) 14.436 24.816 ( 5.412 0.000 -1.963) 5.757 25.016 ( 10.777 0.000 -2.746) 11.121 25.674 ( 3.931 0.000 -2.296) 4.553 25.701 ( 5.247 0.000 -4.096) 6.657 ======================= Grid point 72 (41/104) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -13.085 0.000 16.680) 21.200 1.266 ( -14.399 0.000 34.789) 37.652 1.268 ( -28.250 0.000 9.633) 29.848 1.656 ( -6.122 0.000 22.072) 22.905 1.804 ( -4.614 0.000 0.288) 4.623 1.830 ( -9.856 0.000 14.825) 17.802 1.927 ( -48.858 0.000 2.900) 48.944 2.135 ( -31.828 0.000 2.594) 31.934 2.355 ( -7.681 0.000 8.261) 11.280 2.475 ( -17.526 0.000 -7.888) 19.220 2.546 ( -10.780 0.000 -5.743) 12.215 2.553 ( -0.196 0.000 1.741) 1.752 2.576 ( 1.351 0.000 0.539) 1.454 2.683 ( -21.833 0.000 -6.347) 22.737 2.727 ( -8.956 0.000 -8.684) 12.475 2.859 ( -16.590 0.000 -7.112) 18.050 2.862 ( -4.166 0.000 -4.670) 6.258 2.919 ( -6.464 0.000 -2.677) 6.996 3.028 ( -2.943 0.000 -7.308) 7.878 3.165 ( -1.829 0.000 -2.036) 2.737 3.172 ( -7.474 0.000 0.624) 7.500 3.215 ( -10.393 0.000 5.456) 11.737 3.279 ( -4.389 0.000 4.154) 6.043 3.304 ( -7.329 0.000 4.376) 8.536 3.369 ( -2.096 0.000 5.470) 5.858 3.427 ( 2.699 0.000 -6.080) 6.652 3.536 ( -0.388 0.000 -1.223) 1.283 3.562 ( -8.991 0.000 -8.473) 12.354 3.712 ( -0.206 0.000 -0.782) 0.809 3.781 ( -0.906 0.000 -6.496) 6.559 3.849 ( 0.465 0.000 0.828) 0.950 3.869 ( -3.926 0.000 -1.779) 4.310 3.946 ( -1.266 0.000 7.393) 7.501 4.005 ( -1.819 0.000 -1.811) 2.567 4.044 ( -1.789 0.000 -2.274) 2.894 4.087 ( -3.006 0.000 -1.365) 3.301 4.179 ( -4.766 0.000 1.262) 4.931 4.212 ( -4.384 0.000 1.769) 4.728 4.255 ( 0.630 0.000 6.107) 6.139 4.350 ( -2.784 0.000 6.854) 7.398 4.442 ( -0.137 0.000 -4.626) 4.628 4.455 ( -1.847 0.000 4.592) 4.950 4.509 ( -2.947 0.000 -10.184) 10.602 4.640 ( -11.585 0.000 4.321) 12.365 4.654 ( 1.155 0.000 7.871) 7.956 4.753 ( -3.579 0.000 0.098) 3.580 4.807 ( -5.152 0.000 3.991) 6.517 4.834 ( -7.412 0.000 -0.883) 7.464 4.881 ( -11.075 0.000 -0.018) 11.075 4.893 ( -7.306 0.000 1.063) 7.383 5.011 ( -5.267 0.000 -4.519) 6.939 5.083 ( -7.898 0.000 -0.416) 7.909 5.172 ( -1.232 0.000 3.091) 3.327 5.238 ( -1.471 0.000 4.169) 4.420 5.253 ( -0.281 0.000 4.148) 4.158 5.313 ( -15.339 0.000 0.496) 15.347 5.368 ( 7.977 0.000 -0.975) 8.037 5.369 ( -10.874 0.000 5.957) 12.399 5.528 ( -4.185 0.000 1.253) 4.369 5.560 ( 2.747 0.000 2.400) 3.647 5.602 ( -2.052 0.000 1.437) 2.505 5.657 ( -16.252 0.000 2.619) 16.461 5.665 ( -0.667 0.000 -7.392) 7.422 5.806 ( 1.995 0.000 -5.840) 6.172 5.828 ( -3.536 0.000 -1.461) 3.826 5.845 ( -12.047 0.000 1.714) 12.168 5.962 ( 0.050 0.000 -5.505) 5.506 6.049 ( 3.515 0.000 -1.772) 3.937 6.110 ( 0.364 0.000 -2.822) 2.845 6.203 ( 1.579 0.000 4.644) 4.905 6.266 ( 1.493 0.000 -0.928) 1.758 6.282 ( 4.689 0.000 7.697) 9.013 6.379 ( 3.350 0.000 1.939) 3.871 6.429 ( -1.074 0.000 -4.620) 4.743 6.501 ( -6.006 0.000 -2.543) 6.522 6.619 ( 2.105 0.000 0.835) 2.265 6.635 ( 1.077 0.000 2.211) 2.460 6.639 ( -1.263 0.000 4.072) 4.263 6.669 ( -3.651 0.000 6.328) 7.306 6.678 ( 1.319 0.000 -0.416) 1.383 6.788 ( 5.702 0.000 -0.344) 5.713 6.812 ( 7.281 0.000 5.148) 8.917 6.861 ( -0.572 0.000 -2.915) 2.971 6.983 ( 2.737 0.000 1.743) 3.245 6.993 ( 5.016 0.000 0.473) 5.039 7.103 ( 7.333 0.000 0.114) 7.333 7.159 ( 1.658 0.000 2.553) 3.044 7.187 ( 5.515 0.000 -10.359) 11.736 7.227 ( 3.169 0.000 -0.358) 3.190 7.246 ( 5.371 0.000 2.438) 5.898 7.276 ( 6.925 0.000 1.463) 7.078 7.390 ( 7.410 0.000 1.152) 7.499 7.423 ( 6.287 0.000 1.767) 6.531 7.503 ( -0.274 0.000 -3.224) 3.235 7.524 ( -0.975 0.000 -1.824) 2.068 7.570 ( -0.977 0.000 3.536) 3.669 7.674 ( 4.016 0.000 -0.652) 4.069 7.692 ( 1.557 0.000 -7.517) 7.677 7.710 ( -4.067 0.000 -2.458) 4.752 7.772 ( 4.535 0.000 -1.265) 4.708 7.955 ( -0.909 0.000 0.190) 0.929 8.017 ( -0.142 0.000 4.095) 4.097 8.077 ( 1.347 0.000 -1.152) 1.773 8.152 ( 3.461 0.000 1.829) 3.915 8.249 ( 6.766 0.000 0.419) 6.779 8.277 ( -0.829 0.000 -3.342) 3.443 8.314 ( 2.484 0.000 -4.566) 5.198 8.357 ( -3.419 0.000 -1.997) 3.959 8.358 ( 0.701 0.000 -5.447) 5.492 8.423 ( 0.168 0.000 -3.466) 3.471 8.474 ( 0.447 0.000 -2.300) 2.343 8.498 ( 8.585 0.000 4.359) 9.628 8.657 ( 2.739 0.000 1.489) 3.118 8.751 ( -0.909 0.000 -4.402) 4.494 8.784 ( 4.672 0.000 5.627) 7.314 8.869 ( 4.069 0.000 -0.726) 4.134 8.914 ( 4.032 0.000 -1.543) 4.318 8.928 ( -1.671 0.000 -3.681) 4.043 8.994 ( 4.621 0.000 1.723) 4.932 9.026 ( -3.053 0.000 0.462) 3.088 9.246 ( -0.392 0.000 -5.008) 5.023 9.314 ( 0.868 0.000 -1.792) 1.991 9.467 ( 0.517 0.000 0.639) 0.823 9.538 ( -0.113 0.000 3.953) 3.954 9.680 ( 2.768 0.000 4.237) 5.061 9.729 ( 1.550 0.000 -1.080) 1.889 9.772 ( 2.142 0.000 -5.183) 5.609 9.853 ( 5.269 0.000 -5.657) 7.731 9.945 ( -1.066 0.000 -2.932) 3.120 9.962 ( 3.050 0.000 0.445) 3.083 10.075 ( 3.492 0.000 2.323) 4.194 10.189 ( 2.770 0.000 2.073) 3.460 10.214 ( -0.051 0.000 2.767) 2.768 10.367 ( 7.778 0.000 0.710) 7.810 10.607 ( 19.482 0.000 -1.859) 19.571 10.640 ( 11.282 0.000 -4.947) 12.319 11.681 ( 1.817 0.000 2.949) 3.464 11.691 ( 4.070 0.000 -0.871) 4.162 11.812 ( 7.470 0.000 2.493) 7.874 11.815 ( 15.627 0.000 1.213) 15.674 11.952 ( 7.742 0.000 1.562) 7.899 12.273 ( -0.179 0.000 1.989) 1.997 12.306 ( -0.725 0.000 -2.701) 2.797 12.541 ( -1.094 0.000 -0.082) 1.097 12.610 ( -4.763 0.000 0.794) 4.828 12.640 ( 3.158 0.000 -2.935) 4.311 12.750 ( -3.719 0.000 -4.223) 5.627 12.890 ( -2.857 0.000 -7.602) 8.121 13.221 ( -5.963 0.000 -4.050) 7.208 13.225 ( -6.076 0.000 -2.089) 6.425 13.327 ( 0.686 0.000 2.432) 2.527 13.349 ( -6.479 0.000 -3.137) 7.198 13.471 ( -6.024 0.000 1.371) 6.178 13.534 ( -0.165 0.000 7.072) 7.074 14.672 ( -0.983 0.000 -4.686) 4.788 14.795 ( 0.349 0.000 -3.758) 3.775 15.503 ( -1.654 0.000 -4.243) 4.554 15.527 ( -2.906 0.000 -3.456) 4.516 16.032 ( 0.819 0.000 -2.449) 2.582 16.166 ( 0.473 0.000 -2.330) 2.377 20.604 ( -2.508 0.000 0.234) 2.519 20.707 ( 0.201 0.000 -1.519) 1.532 20.730 ( 0.485 0.000 -1.404) 1.485 20.837 ( 1.148 0.000 -2.169) 2.454 21.619 ( -6.545 0.000 -2.416) 6.977 21.632 ( -6.431 0.000 -0.920) 6.496 21.832 ( -3.149 0.000 1.126) 3.345 21.920 ( -4.228 0.000 -6.238) 7.536 22.003 ( -7.692 0.000 -9.706) 12.385 22.014 ( -6.609 0.000 -6.805) 9.486 22.092 ( -2.422 0.000 2.239) 3.298 22.116 ( -0.711 0.000 3.571) 3.641 22.149 ( -2.699 0.000 2.694) 3.813 22.209 ( -4.452 0.000 -0.438) 4.474 22.276 ( -6.450 0.000 5.403) 8.414 22.458 ( -4.180 0.000 -4.802) 6.366 22.890 ( -1.226 0.000 3.058) 3.295 22.899 ( -1.365 0.000 2.897) 3.203 23.159 ( 1.416 0.000 15.767) 15.830 23.397 ( 15.678 0.000 20.377) 25.711 24.172 ( 3.132 0.000 -1.182) 3.348 24.599 ( 17.756 0.000 -9.792) 20.277 24.893 ( 7.072 0.000 -4.028) 8.139 25.141 ( 8.808 0.000 -6.980) 11.238 25.660 ( -1.497 0.000 -5.387) 5.591 25.690 ( 0.321 0.000 -10.369) 10.374 ======================= Grid point 73 (42/104) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -17.581 0.000 23.142) 29.063 1.104 ( -33.207 0.000 15.796) 36.773 1.201 ( 5.514 0.000 6.630) 8.624 1.563 ( -28.308 0.000 8.468) 29.547 1.698 ( -2.208 0.000 50.597) 50.645 1.705 ( -3.654 0.000 -5.757) 6.819 1.780 ( -19.599 0.000 3.188) 19.856 1.948 ( -0.607 0.000 29.936) 29.942 1.964 ( -13.929 0.000 8.617) 16.379 2.209 ( -17.337 0.000 -3.337) 17.655 2.391 ( -7.994 0.000 -6.227) 10.133 2.411 ( -1.048 0.000 7.590) 7.662 2.516 ( -9.717 0.000 -10.067) 13.991 2.523 ( -2.218 0.000 -3.318) 3.991 2.548 ( -7.700 0.000 5.888) 9.693 2.630 ( -4.801 0.000 -9.977) 11.072 2.763 ( -3.849 0.000 0.892) 3.951 2.782 ( -3.077 0.000 6.553) 7.239 2.857 ( 3.074 0.000 3.238) 4.465 3.119 ( 2.617 0.000 -4.412) 5.130 3.149 ( -5.364 0.000 0.489) 5.386 3.236 ( 3.133 0.000 3.349) 4.586 3.251 ( -0.440 0.000 -0.136) 0.461 3.251 ( -5.055 0.000 4.106) 6.512 3.357 ( -1.352 0.000 -3.005) 3.295 3.449 ( 2.855 0.000 -4.601) 5.415 3.468 ( 3.686 0.000 -2.880) 4.678 3.557 ( 2.620 0.000 -1.944) 3.262 3.734 ( 2.298 0.000 -1.106) 2.550 3.749 ( 0.856 0.000 0.707) 1.110 3.793 ( -4.673 0.000 -1.407) 4.881 3.842 ( -3.793 0.000 -3.999) 5.511 3.932 ( -2.817 0.000 -2.599) 3.833 3.949 ( -2.492 0.000 2.858) 3.792 3.995 ( -2.208 0.000 1.752) 2.819 4.097 ( 5.203 0.000 5.876) 7.848 4.105 ( -3.929 0.000 0.179) 3.933 4.171 ( -10.387 0.000 1.875) 10.555 4.263 ( -2.172 0.000 -7.851) 8.146 4.272 ( -3.644 0.000 -1.202) 3.838 4.404 ( -2.401 0.000 2.775) 3.670 4.445 ( -3.232 0.000 1.740) 3.670 4.492 ( -3.439 0.000 1.671) 3.823 4.539 ( 3.563 0.000 2.412) 4.302 4.566 ( -14.938 0.000 -2.710) 15.182 4.651 ( -4.768 0.000 0.254) 4.775 4.719 ( -5.662 0.000 5.834) 8.130 4.765 ( -4.842 0.000 1.233) 4.997 4.765 ( -5.440 0.000 2.271) 5.895 4.825 ( -2.262 0.000 1.485) 2.706 4.938 ( -5.348 0.000 -3.969) 6.660 4.957 ( -2.463 0.000 5.021) 5.592 5.118 ( -3.321 0.000 1.681) 3.723 5.135 ( -3.637 0.000 4.904) 6.105 5.222 ( -4.178 0.000 -3.032) 5.162 5.234 ( -11.110 0.000 7.770) 13.557 5.292 ( 1.096 0.000 1.353) 1.741 5.366 ( -7.307 0.000 1.161) 7.399 5.454 ( -2.341 0.000 -0.466) 2.387 5.511 ( -0.976 0.000 -0.219) 1.001 5.572 ( -1.327 0.000 -3.436) 3.683 5.637 ( 4.167 0.000 -6.319) 7.569 5.685 ( -0.775 0.000 0.516) 0.932 5.694 ( -2.589 0.000 7.513) 7.946 5.742 ( -2.770 0.000 -6.548) 7.110 5.826 ( 1.560 0.000 -1.778) 2.365 5.974 ( 5.513 0.000 -4.065) 6.850 5.994 ( -1.631 0.000 -0.407) 1.681 6.168 ( 1.733 0.000 -1.668) 2.405 6.250 ( -0.843 0.000 -2.585) 2.719 6.275 ( 2.924 0.000 1.172) 3.150 6.316 ( -3.897 0.000 -7.977) 8.878 6.417 ( 0.267 0.000 7.003) 7.008 6.462 ( 5.857 0.000 8.712) 10.497 6.493 ( 5.346 0.000 -2.528) 5.913 6.582 ( -6.054 0.000 -10.416) 12.047 6.624 ( -0.220 0.000 1.381) 1.399 6.680 ( 0.148 0.000 3.688) 3.691 6.695 ( 0.966 0.000 2.087) 2.299 6.719 ( -6.552 0.000 3.567) 7.460 6.746 ( 5.421 0.000 -2.545) 5.989 6.834 ( 0.633 0.000 -1.233) 1.386 6.932 ( -3.711 0.000 3.769) 5.290 7.006 ( 2.338 0.000 -1.761) 2.927 7.051 ( 1.618 0.000 -1.577) 2.260 7.161 ( 10.741 0.000 -4.414) 11.612 7.175 ( 3.042 0.000 -1.643) 3.458 7.258 ( -0.678 0.000 -1.379) 1.537 7.286 ( -1.352 0.000 -10.335) 10.423 7.318 ( 4.140 0.000 1.272) 4.331 7.322 ( 0.277 0.000 3.494) 3.505 7.374 ( -0.994 0.000 -3.609) 3.743 7.406 ( -3.028 0.000 -4.679) 5.573 7.500 ( 2.668 0.000 -5.296) 5.930 7.548 ( -1.746 0.000 -2.543) 3.084 7.598 ( -0.290 0.000 2.845) 2.860 7.645 ( 3.472 0.000 0.047) 3.472 7.663 ( -0.585 0.000 -0.199) 0.618 7.691 ( -0.451 0.000 -5.384) 5.403 7.762 ( -5.999 0.000 -5.077) 7.859 7.950 ( -1.114 0.000 -0.057) 1.116 7.970 ( -2.908 0.000 -2.277) 3.694 8.120 ( 0.326 0.000 2.158) 2.182 8.143 ( -2.800 0.000 -4.765) 5.527 8.200 ( -4.579 0.000 -7.060) 8.415 8.223 ( 0.196 0.000 0.027) 0.198 8.237 ( -0.467 0.000 -3.710) 3.739 8.310 ( 1.454 0.000 -1.513) 2.099 8.391 ( 0.552 0.000 -0.557) 0.784 8.447 ( 6.525 0.000 3.119) 7.232 8.544 ( 5.608 0.000 0.571) 5.637 8.666 ( 3.546 0.000 1.027) 3.691 8.718 ( 1.429 0.000 -5.196) 5.389 8.747 ( 5.259 0.000 2.788) 5.952 8.822 ( 1.330 0.000 -1.483) 1.992 8.880 ( 0.596 0.000 -0.019) 0.597 8.916 ( 2.557 0.000 6.262) 6.763 9.014 ( 5.079 0.000 -0.098) 5.080 9.045 ( -0.020 0.000 6.487) 6.487 9.066 ( 2.631 0.000 -2.557) 3.669 9.177 ( -0.908 0.000 -5.387) 5.463 9.347 ( 0.147 0.000 -1.273) 1.282 9.453 ( -1.055 0.000 -1.457) 1.799 9.542 ( -2.291 0.000 4.345) 4.912 9.657 ( -4.706 0.000 -5.124) 6.957 9.787 ( -4.247 0.000 -7.187) 8.348 9.819 ( 3.705 0.000 3.056) 4.803 9.853 ( 8.818 0.000 3.614) 9.530 9.945 ( 2.370 0.000 1.340) 2.723 10.013 ( 1.863 0.000 0.830) 2.039 10.225 ( 2.414 0.000 1.533) 2.859 10.267 ( 2.233 0.000 4.906) 5.391 10.286 ( 10.708 0.000 6.215) 12.381 10.477 ( 4.011 0.000 0.510) 4.043 10.751 ( 5.801 0.000 -2.130) 6.180 10.876 ( 13.327 0.000 -2.523) 13.564 11.686 ( -3.011 0.000 -0.198) 3.017 11.711 ( 0.034 0.000 -1.499) 1.500 11.893 ( 1.228 0.000 3.510) 3.719 12.095 ( 15.172 0.000 0.488) 15.180 12.170 ( 12.631 0.000 -0.481) 12.641 12.252 ( -3.607 0.000 -2.529) 4.406 12.260 ( -0.591 0.000 -7.699) 7.722 12.501 ( -1.447 0.000 -1.916) 2.401 12.559 ( -1.500 0.000 -1.400) 2.052 12.614 ( -2.416 0.000 -3.714) 4.430 12.620 ( -2.712 0.000 -4.169) 4.973 12.730 ( -4.194 0.000 -7.307) 8.425 13.048 ( -5.843 0.000 -8.461) 10.283 13.067 ( -10.598 0.000 -9.875) 14.486 13.149 ( -5.647 0.000 -1.442) 5.828 13.309 ( -0.869 0.000 -6.303) 6.363 13.425 ( -3.211 0.000 1.506) 3.546 13.567 ( -1.468 0.000 -0.905) 1.724 14.577 ( -2.271 0.000 -8.755) 9.044 14.743 ( -0.515 0.000 -6.641) 6.661 15.404 ( -2.967 0.000 -6.901) 7.512 15.433 ( -2.920 0.000 -5.037) 5.822 16.015 ( 0.624 0.000 -3.493) 3.548 16.121 ( -1.813 0.000 -3.721) 4.139 20.567 ( -1.893 0.000 -0.156) 1.899 20.667 ( -1.932 0.000 -2.907) 3.491 20.714 ( 0.296 0.000 -3.819) 3.830 20.795 ( -2.126 0.000 -3.163) 3.811 21.517 ( -5.641 0.000 0.577) 5.671 21.535 ( -2.141 0.000 0.866) 2.309 21.758 ( -4.936 0.000 -1.866) 5.277 21.789 ( -7.391 0.000 -4.188) 8.495 21.790 ( -4.345 0.000 -1.654) 4.649 21.813 ( -8.212 0.000 -4.647) 9.435 22.114 ( 0.537 0.000 4.827) 4.857 22.137 ( -1.077 0.000 3.443) 3.608 22.169 ( 1.089 0.000 5.810) 5.911 22.207 ( 0.477 0.000 5.297) 5.318 22.324 ( 0.899 0.000 11.323) 11.359 22.439 ( 0.888 0.000 5.397) 5.469 22.913 ( -0.183 0.000 4.514) 4.518 22.924 ( -0.163 0.000 5.126) 5.128 23.393 ( 5.123 0.000 17.764) 18.488 23.966 ( 29.811 0.000 7.250) 30.680 24.194 ( 1.427 0.000 -2.498) 2.876 24.735 ( 11.981 0.000 -18.300) 21.873 24.965 ( 7.212 0.000 -7.389) 10.325 25.158 ( 2.978 0.000 -10.097) 10.527 25.493 ( -9.537 0.000 -11.214) 14.721 25.534 ( -5.733 0.000 -5.857) 8.196 ======================= Grid point 74 (43/104) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -4.701 -6.616 9.742) 12.680 1.017 ( -4.701 6.616 9.742) 12.680 1.445 ( 3.311 -5.350 1.483) 6.465 1.445 ( 3.311 5.350 1.483) 6.465 1.653 ( 1.431 -28.228 13.627) 31.377 1.653 ( 1.431 28.228 13.627) 31.377 1.919 ( 6.509 -8.351 -3.607) 11.185 1.919 ( 6.509 8.351 -3.607) 11.185 2.156 ( -3.307 -3.566 -8.284) 9.606 2.156 ( -3.307 3.566 -8.284) 9.606 2.351 ( 3.628 -12.985 5.725) 14.648 2.351 ( 3.628 12.985 5.725) 14.648 2.476 ( 5.846 -6.771 21.583) 23.363 2.476 ( 5.846 6.771 21.583) 23.363 2.548 ( 5.936 -10.725 20.688) 24.047 2.548 ( 5.936 10.725 20.688) 24.047 2.872 ( -0.141 -13.333 8.200) 15.653 2.872 ( -0.141 13.333 8.200) 15.653 3.057 ( 3.035 -4.330 5.516) 7.642 3.057 ( 3.035 4.330 5.516) 7.642 3.125 ( 2.546 -2.670 -0.608) 3.739 3.125 ( 2.546 2.670 -0.608) 3.739 3.340 ( -0.467 -3.494 -3.799) 5.183 3.340 ( -0.467 3.494 -3.799) 5.183 3.441 ( 0.302 -7.840 -0.972) 7.906 3.441 ( 0.302 7.840 -0.972) 7.906 3.491 ( 2.064 -5.359 -1.212) 5.869 3.491 ( 2.064 5.359 -1.212) 5.869 3.698 ( -7.444 -1.878 -2.146) 7.972 3.698 ( -7.444 1.878 -2.146) 7.972 3.764 ( 2.074 -3.616 -3.016) 5.145 3.764 ( 2.074 3.616 -3.016) 5.145 3.949 ( -0.152 -5.781 -1.381) 5.946 3.949 ( -0.152 5.781 -1.381) 5.946 4.019 ( -1.252 -2.858 -2.803) 4.195 4.019 ( -1.252 2.858 -2.803) 4.195 4.091 ( -1.310 -4.177 0.491) 4.405 4.091 ( -1.310 4.177 0.491) 4.405 4.232 ( 11.048 -6.028 6.226) 14.041 4.232 ( 11.048 6.028 6.226) 14.041 4.360 ( -3.490 -3.558 3.506) 6.094 4.360 ( -3.490 3.558 3.506) 6.094 4.490 ( -2.359 -2.272 -0.123) 3.277 4.490 ( -2.359 2.272 -0.123) 3.277 4.605 ( -3.941 -6.113 2.551) 7.707 4.605 ( -3.941 6.113 2.551) 7.707 4.726 ( 3.275 -3.007 4.361) 6.228 4.726 ( 3.275 3.007 4.361) 6.228 4.811 ( -1.039 -1.969 -1.521) 2.697 4.811 ( -1.039 1.969 -1.521) 2.697 4.879 ( -5.483 -4.317 -1.233) 7.087 4.879 ( -5.483 4.317 -1.233) 7.087 5.093 ( -1.115 -4.560 7.171) 8.571 5.093 ( -1.115 4.560 7.171) 8.571 5.224 ( -2.948 -3.947 0.020) 4.926 5.224 ( -2.948 3.947 0.020) 4.926 5.329 ( -0.516 -5.463 0.492) 5.509 5.329 ( -0.516 5.463 0.492) 5.509 5.451 ( -0.107 -4.098 1.856) 4.500 5.451 ( -0.107 4.098 1.856) 4.500 5.546 ( 0.021 -8.963 0.582) 8.982 5.546 ( 0.021 8.963 0.582) 8.982 5.610 ( -0.622 -1.848 -3.909) 4.369 5.610 ( -0.622 1.848 -3.909) 4.369 5.864 ( 1.178 -3.481 -1.250) 3.882 5.864 ( 1.178 3.481 -1.250) 3.882 5.986 ( -2.886 -1.103 -1.178) 3.307 5.986 ( -2.886 1.103 -1.178) 3.307 6.115 ( 2.741 -3.473 -1.449) 4.655 6.115 ( 2.741 3.473 -1.449) 4.655 6.287 ( -4.493 -6.142 -1.549) 7.766 6.287 ( -4.493 6.142 -1.549) 7.766 6.389 ( 4.963 -7.205 -5.593) 10.384 6.389 ( 4.963 7.205 -5.593) 10.384 6.537 ( -4.845 -5.196 -5.938) 9.259 6.537 ( -4.845 5.196 -5.938) 9.259 6.643 ( 2.740 -1.014 1.553) 3.309 6.643 ( 2.740 1.014 1.553) 3.309 6.744 ( 1.255 -2.766 3.398) 4.557 6.744 ( 1.255 2.766 3.398) 4.557 6.849 ( 1.381 -2.767 4.800) 5.710 6.849 ( 1.381 2.767 4.800) 5.710 6.929 ( -3.634 -1.347 -3.801) 5.428 6.929 ( -3.634 1.347 -3.801) 5.428 7.082 ( -3.118 -6.898 -5.798) 9.535 7.082 ( -3.118 6.898 -5.798) 9.535 7.184 ( -5.148 -2.002 -7.081) 8.981 7.184 ( -5.148 2.002 -7.081) 8.981 7.264 ( -6.756 -2.367 -2.887) 7.719 7.264 ( -6.756 2.367 -2.887) 7.719 7.318 ( -3.615 -2.816 2.923) 5.436 7.318 ( -3.615 2.816 2.923) 5.436 7.425 ( -0.708 -1.666 -7.241) 7.464 7.425 ( -0.708 1.666 -7.241) 7.464 7.493 ( -0.358 -7.125 -6.520) 9.664 7.493 ( -0.358 7.125 -6.520) 9.664 7.653 ( 1.294 -1.926 1.208) 2.616 7.653 ( 1.294 1.926 1.208) 2.616 7.712 ( 1.185 -6.611 0.287) 6.722 7.712 ( 1.185 6.611 0.287) 6.722 7.930 ( 6.733 -11.971 4.369) 14.413 7.930 ( 6.733 11.971 4.369) 14.413 8.106 ( -2.505 -2.329 0.080) 3.422 8.106 ( -2.505 2.329 0.080) 3.422 8.129 ( -2.075 -2.266 -0.696) 3.151 8.129 ( -2.075 2.266 -0.696) 3.151 8.303 ( 0.671 -3.171 -3.562) 4.816 8.303 ( 0.671 3.171 -3.562) 4.816 8.445 ( 0.289 -11.310 -1.497) 11.412 8.445 ( 0.289 11.310 -1.497) 11.412 8.638 ( 0.877 -5.354 -0.677) 5.467 8.638 ( 0.877 5.354 -0.677) 5.467 8.753 ( 0.690 -4.903 -1.821) 5.275 8.753 ( 0.690 4.903 -1.821) 5.275 8.874 ( 3.076 -5.981 -3.242) 7.466 8.874 ( 3.076 5.981 -3.242) 7.466 8.951 ( -1.875 -2.356 -0.644) 3.079 8.951 ( -1.875 2.356 -0.644) 3.079 9.085 ( 0.669 -4.090 5.906) 7.215 9.085 ( 0.669 4.090 5.906) 7.215 9.332 ( -0.299 -4.397 0.136) 4.409 9.332 ( -0.299 4.397 0.136) 4.409 9.485 ( -4.217 -3.774 -5.952) 8.213 9.485 ( -4.217 3.774 -5.952) 8.213 9.592 ( 3.037 -1.530 -5.847) 6.765 9.592 ( 3.037 1.530 -5.847) 6.765 9.876 ( 0.340 -2.189 2.878) 3.632 9.876 ( 0.340 2.189 2.878) 3.632 10.049 ( 0.876 -1.280 3.070) 3.440 10.049 ( 0.876 1.280 3.070) 3.440 10.344 ( 1.736 -1.449 5.762) 6.190 10.344 ( 1.736 1.449 5.762) 6.190 10.449 ( 0.797 -12.564 0.843) 12.618 10.449 ( 0.797 12.564 0.843) 12.618 10.872 ( -1.282 -7.839 -4.021) 8.903 10.872 ( -1.282 7.839 -4.021) 8.903 11.687 ( -0.912 -2.457 -0.828) 2.749 11.687 ( -0.912 2.457 -0.828) 2.749 12.012 ( -2.901 -9.901 -4.942) 11.440 12.012 ( -2.901 9.901 -4.942) 11.440 12.175 ( -0.425 -4.852 -1.951) 5.246 12.175 ( -0.425 4.852 -1.951) 5.246 12.445 ( 2.938 -4.763 -2.362) 6.074 12.445 ( 2.938 4.763 -2.362) 6.074 12.460 ( -5.579 -5.446 -2.475) 8.180 12.460 ( -5.579 5.446 -2.475) 8.180 12.655 ( 3.416 -0.704 -5.348) 6.385 12.655 ( 3.416 0.704 -5.348) 6.385 12.867 ( -2.726 -4.176 -7.284) 8.828 12.867 ( -2.726 4.176 -7.284) 8.828 13.152 ( 0.956 -2.293 -4.366) 5.023 13.152 ( 0.956 2.293 -4.366) 5.023 13.433 ( -3.145 -4.079 -4.101) 6.584 13.433 ( -3.145 4.079 -4.101) 6.584 14.556 ( -1.117 -8.327 -8.031) 11.622 14.556 ( -1.117 8.327 -8.031) 11.622 15.331 ( -0.185 -2.172 -6.478) 6.835 15.331 ( -0.185 2.172 -6.478) 6.835 16.024 ( -0.067 -2.887 -4.013) 4.944 16.024 ( -0.067 2.887 -4.013) 4.944 20.570 ( -1.304 -2.897 -1.442) 3.489 20.570 ( -1.304 2.897 -1.442) 3.489 20.707 ( -1.708 -2.485 -2.669) 4.027 20.707 ( -1.708 2.485 -2.669) 4.027 21.507 ( -0.072 -2.260 1.708) 2.834 21.507 ( -0.072 2.260 1.708) 2.834 21.695 ( -2.093 -0.772 -0.273) 2.247 21.695 ( -2.093 0.772 -0.273) 2.247 21.720 ( -1.178 -0.945 0.068) 1.512 21.720 ( -1.178 0.945 0.068) 1.512 22.184 ( 1.763 -0.131 4.777) 5.094 22.184 ( 1.763 0.131 4.777) 5.094 22.272 ( 2.256 -1.373 6.817) 7.311 22.272 ( 2.256 1.373 6.817) 7.311 22.523 ( 5.434 -2.818 7.390) 9.596 22.523 ( 5.434 2.818 7.390) 9.596 22.981 ( 1.189 -0.847 6.067) 6.240 22.981 ( 1.189 0.847 6.067) 6.240 23.770 ( 1.278 -18.284 7.518) 19.810 23.770 ( 1.278 18.284 7.518) 19.810 24.558 ( 1.346 -10.834 -18.355) 21.356 24.558 ( 1.346 10.834 -18.355) 21.356 25.016 ( 0.392 -5.341 -10.004) 11.347 25.016 ( 0.392 5.341 -10.004) 11.347 25.374 ( 0.077 -4.441 -4.169) 6.092 25.374 ( 0.077 4.441 -4.169) 6.092 ======================= Grid point 76 (44/104) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 18.490 -29.657 4.153) 35.195 1.214 ( 18.490 29.657 4.153) 35.195 1.708 ( 20.398 -7.605 2.196) 21.880 1.708 ( 20.398 7.605 2.196) 21.880 1.831 ( 13.357 -15.767 -3.129) 20.900 1.831 ( 13.357 15.767 -3.129) 20.900 2.055 ( 10.174 -14.809 -0.357) 17.970 2.055 ( 10.174 14.809 -0.357) 17.970 2.182 ( 12.456 -2.438 -2.974) 13.036 2.182 ( 12.456 2.438 -2.974) 13.036 2.463 ( 5.601 -5.179 4.953) 9.096 2.463 ( 5.601 5.179 4.953) 9.096 2.610 ( 8.288 -2.277 -3.279) 9.199 2.610 ( 8.288 2.277 -3.279) 9.199 2.969 ( 0.526 -3.190 14.551) 14.906 2.969 ( 0.526 3.190 14.551) 14.906 3.046 ( 9.571 -1.651 15.977) 18.697 3.046 ( 9.571 1.651 15.977) 18.697 3.113 ( 2.413 -4.496 5.561) 7.547 3.113 ( 2.413 4.496 5.561) 7.547 3.235 ( 0.281 -6.617 2.564) 7.102 3.235 ( 0.281 6.617 2.564) 7.102 3.340 ( 5.055 -2.170 7.436) 9.250 3.340 ( 5.055 2.170 7.436) 9.250 3.383 ( -4.355 -2.130 3.069) 5.738 3.383 ( -4.355 2.130 3.069) 5.738 3.498 ( -1.198 -6.439 0.201) 6.552 3.498 ( -1.198 6.439 0.201) 6.552 3.624 ( 3.078 -1.509 0.423) 3.454 3.624 ( 3.078 1.509 0.423) 3.454 3.785 ( 0.625 -1.954 0.405) 2.091 3.785 ( 0.625 1.954 0.405) 2.091 3.950 ( 4.596 -2.642 -2.350) 5.798 3.950 ( 4.596 2.642 -2.350) 5.798 4.075 ( 4.173 -3.596 0.865) 5.576 4.075 ( 4.173 3.596 0.865) 5.576 4.176 ( 10.840 -2.930 3.977) 11.913 4.176 ( 10.840 2.930 3.977) 11.913 4.375 ( 1.344 -1.331 3.875) 4.312 4.375 ( 1.344 1.331 3.875) 4.312 4.428 ( -1.015 -0.853 1.891) 2.309 4.428 ( -1.015 0.853 1.891) 2.309 4.510 ( 9.584 -3.633 1.926) 10.428 4.510 ( 9.584 3.633 1.926) 10.428 4.661 ( 4.880 -5.662 4.885) 8.929 4.661 ( 4.880 5.662 4.885) 8.929 4.735 ( -4.187 -4.271 -0.014) 5.981 4.735 ( -4.187 4.271 -0.014) 5.981 4.822 ( 2.114 -1.988 1.193) 3.138 4.822 ( 2.114 1.988 1.193) 3.138 4.854 ( 4.118 -1.742 0.440) 4.493 4.854 ( 4.118 1.742 0.440) 4.493 5.063 ( -1.637 -3.610 -3.934) 5.585 5.063 ( -1.637 3.610 -3.934) 5.585 5.228 ( -0.484 -12.559 4.194) 13.249 5.228 ( -0.484 12.559 4.194) 13.249 5.331 ( 1.549 -4.980 0.042) 5.215 5.331 ( 1.549 4.980 0.042) 5.215 5.433 ( -1.858 -4.101 0.991) 4.610 5.433 ( -1.858 4.101 0.991) 4.610 5.599 ( 2.283 -3.725 -0.629) 4.414 5.599 ( 2.283 3.725 -0.629) 4.414 5.637 ( 4.347 -11.685 5.928) 13.805 5.637 ( 4.347 11.685 5.928) 13.805 5.819 ( -2.629 -3.434 -2.028) 4.777 5.819 ( -2.629 3.434 -2.028) 4.777 5.979 ( 1.900 -6.084 -2.187) 6.738 5.979 ( 1.900 6.084 -2.187) 6.738 6.128 ( -4.657 -5.413 -1.059) 7.219 6.128 ( -4.657 5.413 -1.059) 7.219 6.178 ( -1.525 -2.880 -5.294) 6.217 6.178 ( -1.525 2.880 -5.294) 6.217 6.364 ( -1.092 -3.663 -5.191) 6.446 6.364 ( -1.092 3.663 -5.191) 6.446 6.459 ( 1.674 -9.536 -2.191) 9.927 6.459 ( 1.674 9.536 -2.191) 9.927 6.650 ( -6.887 -1.725 -8.720) 11.245 6.650 ( -6.887 1.725 -8.720) 11.245 6.706 ( -6.624 -1.245 -3.595) 7.639 6.706 ( -6.624 1.245 -3.595) 7.639 6.809 ( -5.786 -6.221 -5.970) 10.384 6.809 ( -5.786 6.221 -5.970) 10.384 6.845 ( -1.313 -2.605 2.543) 3.870 6.845 ( -1.313 2.605 2.543) 3.870 6.910 ( -8.269 -4.040 -8.513) 12.537 6.910 ( -8.269 4.040 -8.513) 12.537 7.012 ( 1.699 -4.680 3.493) 6.082 7.012 ( 1.699 4.680 3.493) 6.082 7.233 ( -2.435 -7.596 5.828) 9.879 7.233 ( -2.435 7.596 5.828) 9.879 7.308 ( 1.347 -1.598 2.111) 2.970 7.308 ( 1.347 1.598 2.111) 2.970 7.361 ( -0.319 -8.031 -3.135) 8.627 7.361 ( -0.319 8.031 -3.135) 8.627 7.515 ( 2.035 -4.521 2.155) 5.406 7.515 ( 2.035 4.521 2.155) 5.406 7.673 ( 0.327 -8.849 2.178) 9.119 7.673 ( 0.327 8.849 2.178) 9.119 7.811 ( 5.568 -0.870 0.294) 5.643 7.811 ( 5.568 0.870 0.294) 5.643 7.963 ( -5.014 -3.406 -1.185) 6.176 7.963 ( -5.014 3.406 -1.185) 6.176 8.052 ( -4.683 -4.545 -1.205) 6.637 8.052 ( -4.683 4.545 -1.205) 6.637 8.137 ( 3.686 -3.582 1.084) 5.254 8.137 ( 3.686 3.582 1.084) 5.254 8.289 ( 1.122 -1.917 -2.177) 3.110 8.289 ( 1.122 1.917 -2.177) 3.110 8.425 ( -0.242 -7.688 -2.090) 7.971 8.425 ( -0.242 7.688 -2.090) 7.971 8.598 ( -2.696 -6.456 -3.648) 7.890 8.598 ( -2.696 6.456 -3.648) 7.890 8.710 ( -1.074 -6.464 -5.680) 8.672 8.710 ( -1.074 6.464 -5.680) 8.672 8.830 ( -3.693 -3.246 -2.969) 5.743 8.830 ( -3.693 3.246 -2.969) 5.743 8.879 ( -3.982 -6.702 -4.152) 8.832 8.879 ( -3.982 6.702 -4.152) 8.832 9.162 ( 2.728 -3.895 1.442) 4.969 9.162 ( 2.728 3.895 1.442) 4.969 9.257 ( -5.436 -8.038 -3.531) 10.326 9.257 ( -5.436 8.038 -3.531) 10.326 9.408 ( 0.089 -2.354 -1.589) 2.842 9.408 ( 0.089 2.354 -1.589) 2.842 9.617 ( 4.756 -4.912 -6.580) 9.489 9.617 ( 4.756 4.912 -6.580) 9.489 9.888 ( -0.378 -3.596 -0.610) 3.667 9.888 ( -0.378 3.596 -0.610) 3.667 10.054 ( -3.035 -4.955 2.744) 6.426 10.054 ( -3.035 4.955 2.744) 6.426 10.366 ( -2.730 -5.487 -0.186) 6.131 10.366 ( -2.730 5.487 -0.186) 6.131 10.443 ( -4.173 -4.590 4.882) 7.894 10.443 ( -4.173 4.590 4.882) 7.894 10.746 ( -8.623 -2.819 -2.412) 9.387 10.746 ( -8.623 2.819 -2.412) 9.387 11.665 ( -1.390 -1.805 -0.027) 2.278 11.665 ( -1.390 1.805 -0.027) 2.278 11.887 ( -7.125 -2.072 -0.287) 7.425 11.887 ( -7.125 2.072 -0.287) 7.425 12.148 ( -7.403 -0.944 -1.741) 7.664 12.148 ( -7.403 0.944 -1.741) 7.664 12.284 ( 0.047 -1.937 -2.748) 3.363 12.284 ( 0.047 1.937 -2.748) 3.363 12.515 ( 2.003 -10.089 -1.198) 10.355 12.515 ( 2.003 10.089 -1.198) 10.355 12.636 ( 1.705 -2.732 -8.017) 8.639 12.636 ( 1.705 2.732 -8.017) 8.639 12.844 ( 3.967 -8.016 -1.754) 9.114 12.844 ( 3.967 8.016 -1.754) 9.114 13.151 ( 2.894 -5.983 -3.600) 7.558 13.151 ( 2.894 5.983 -3.600) 7.558 13.362 ( 0.854 -1.898 -5.807) 6.169 13.362 ( 0.854 1.898 -5.807) 6.169 14.484 ( 1.074 -6.959 -6.412) 9.524 14.484 ( 1.074 6.959 -6.412) 9.524 15.295 ( 2.995 -3.084 -5.958) 7.347 15.295 ( 2.995 3.084 -5.958) 7.347 15.992 ( 0.697 -1.865 -4.029) 4.494 15.992 ( 0.697 1.865 -4.029) 4.494 20.543 ( -0.694 -2.169 -0.479) 2.327 20.543 ( -0.694 2.169 -0.479) 2.327 20.659 ( -1.285 -2.298 -1.787) 3.182 20.659 ( -1.285 2.298 -1.787) 3.182 21.545 ( 2.544 -1.830 1.372) 3.421 21.545 ( 2.544 1.830 1.372) 3.421 21.690 ( 0.860 -1.821 0.619) 2.107 21.690 ( 0.860 1.821 0.619) 2.107 21.739 ( 2.692 -0.788 0.371) 2.830 21.739 ( 2.692 0.788 0.371) 2.830 22.264 ( 2.507 -0.528 3.849) 4.623 22.264 ( 2.507 0.528 3.849) 4.623 22.373 ( 2.259 -1.375 5.645) 6.233 22.373 ( 2.259 1.375 5.645) 6.233 22.690 ( 7.287 -1.341 4.173) 8.504 22.690 ( 7.287 1.341 4.173) 8.504 23.065 ( 1.778 -1.228 5.497) 5.906 23.065 ( 1.778 1.228 5.497) 5.906 23.784 ( -4.425 -12.010 3.151) 13.181 23.784 ( -4.425 12.010 3.151) 13.181 24.351 ( -5.280 -11.272 -12.463) 17.614 24.351 ( -5.280 11.272 -12.463) 17.614 24.906 ( -2.116 -5.034 -9.210) 10.707 24.906 ( -2.116 5.034 -9.210) 10.707 25.385 ( 4.519 -2.481 -5.425) 7.484 25.385 ( 4.519 2.481 -5.425) 7.484 ======================= Grid point 78 (45/104) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 15.690 -8.465 -1.349) 17.879 1.568 ( 15.690 8.465 -1.349) 17.879 1.952 ( 14.213 -23.968 -1.551) 27.909 1.952 ( 14.213 23.968 -1.551) 27.909 2.120 ( 17.410 -5.005 -7.724) 19.693 2.120 ( 17.410 5.005 -7.724) 19.693 2.215 ( 16.272 -11.902 -8.353) 21.822 2.215 ( 16.272 11.902 -8.353) 21.822 2.384 ( 9.361 -4.126 1.758) 10.379 2.384 ( 9.361 4.126 1.758) 10.379 2.629 ( 9.580 -3.625 -3.844) 10.941 2.629 ( 9.580 3.625 -3.844) 10.941 2.728 ( 10.252 -1.808 -1.561) 10.527 2.728 ( 10.252 1.808 -1.561) 10.527 2.987 ( -3.620 -9.642 2.302) 10.553 2.987 ( -3.620 9.642 2.302) 10.553 3.152 ( -0.635 -3.745 4.882) 6.186 3.152 ( -0.635 3.745 4.882) 6.186 3.231 ( 4.673 -7.774 0.826) 9.108 3.231 ( 4.673 7.774 0.826) 9.108 3.377 ( 5.597 -2.838 5.249) 8.181 3.377 ( 5.597 2.838 5.249) 8.181 3.400 ( 2.668 -1.237 13.758) 14.069 3.400 ( 2.668 1.237 13.758) 14.069 3.468 ( 4.123 -3.958 5.521) 7.947 3.468 ( 4.123 3.958 5.521) 7.947 3.650 ( 10.333 -3.828 9.195) 14.352 3.650 ( 10.333 3.828 9.195) 14.352 3.759 ( 5.221 -1.695 2.968) 6.241 3.759 ( 5.221 1.695 2.968) 6.241 3.825 ( 4.959 -4.069 4.041) 7.582 3.825 ( 4.959 4.069 4.041) 7.582 4.034 ( 0.751 -2.225 0.483) 2.397 4.034 ( 0.751 2.225 0.483) 2.397 4.160 ( 7.632 -1.927 2.924) 8.397 4.160 ( 7.632 1.927 2.924) 8.397 4.376 ( -2.831 -6.890 4.930) 8.933 4.376 ( -2.831 6.890 4.930) 8.933 4.448 ( 10.311 -1.838 3.592) 11.073 4.448 ( 10.311 1.838 3.592) 11.073 4.494 ( 7.525 -9.455 -1.419) 12.167 4.494 ( 7.525 9.455 -1.419) 12.167 4.641 ( 4.933 -8.069 5.325) 10.853 4.641 ( 4.933 8.069 5.325) 10.853 4.697 ( -2.284 -2.683 5.612) 6.627 4.697 ( -2.284 2.683 5.612) 6.627 4.813 ( 4.117 -3.035 2.372) 5.638 4.813 ( 4.117 3.035 2.372) 5.638 4.869 ( 3.361 -4.075 1.419) 5.469 4.869 ( 3.361 4.075 1.419) 5.469 4.930 ( 6.897 -2.078 -2.778) 7.720 4.930 ( 6.897 2.078 -2.778) 7.720 5.092 ( 5.951 -4.760 -0.413) 7.632 5.092 ( 5.951 4.760 -0.413) 7.632 5.216 ( -1.421 -4.353 -1.648) 4.867 5.216 ( -1.421 4.353 -1.648) 4.867 5.396 ( 2.833 -4.291 -0.094) 5.143 5.396 ( 2.833 4.291 -0.094) 5.143 5.453 ( 4.394 -3.319 -0.156) 5.509 5.453 ( 4.394 3.319 -0.156) 5.509 5.635 ( 1.989 -5.400 -0.715) 5.799 5.635 ( 1.989 5.400 -0.715) 5.799 5.745 ( 0.407 -5.762 4.789) 7.504 5.745 ( 0.407 5.762 4.789) 7.504 5.809 ( 4.375 -5.541 -0.457) 7.075 5.809 ( 4.375 5.541 -0.457) 7.075 5.894 ( -9.022 -2.717 -4.875) 10.608 5.894 ( -9.022 2.717 -4.875) 10.608 6.020 ( -0.580 -3.898 -2.120) 4.476 6.020 ( -0.580 3.898 -2.120) 4.476 6.160 ( -2.675 -2.448 -1.095) 3.788 6.160 ( -2.675 2.448 -1.095) 3.788 6.262 ( -7.766 -3.748 -8.133) 11.853 6.262 ( -7.766 3.748 -8.133) 11.853 6.362 ( -2.806 -2.055 -2.794) 4.461 6.362 ( -2.806 2.055 -2.794) 4.461 6.406 ( -7.391 -5.196 -8.536) 12.429 6.406 ( -7.391 5.196 -8.536) 12.429 6.541 ( 0.155 -6.255 -2.867) 6.882 6.541 ( 0.155 6.255 -2.867) 6.882 6.753 ( 0.487 -1.754 -3.990) 4.385 6.753 ( 0.487 1.754 -3.990) 4.385 6.816 ( 0.795 -3.145 1.393) 3.531 6.816 ( 0.795 3.145 1.393) 3.531 6.949 ( 5.258 -0.315 4.474) 6.911 6.949 ( 5.258 0.315 4.474) 6.911 7.079 ( 0.729 -8.445 4.624) 9.655 7.079 ( 0.729 8.445 4.624) 9.655 7.226 ( -2.434 -0.917 1.997) 3.279 7.226 ( -2.434 0.917 1.997) 3.279 7.347 ( -0.647 -2.924 2.333) 3.796 7.347 ( -0.647 2.924 2.333) 3.796 7.421 ( 5.074 -0.256 6.017) 7.875 7.421 ( 5.074 0.256 6.017) 7.875 7.559 ( -0.351 -4.973 4.774) 6.903 7.559 ( -0.351 4.973 4.774) 6.903 7.662 ( -5.238 -3.292 -2.154) 6.551 7.662 ( -5.238 3.292 -2.154) 6.551 7.778 ( -2.042 -2.843 -2.375) 4.230 7.778 ( -2.042 2.843 -2.375) 4.230 7.909 ( -1.548 -4.918 -5.391) 7.460 7.909 ( -1.548 4.918 -5.391) 7.460 7.999 ( -1.379 -4.207 1.837) 4.793 7.999 ( -1.379 4.207 1.837) 4.793 8.151 ( -0.823 -5.201 -0.437) 5.284 8.151 ( -0.823 5.201 -0.437) 5.284 8.259 ( -1.575 -1.570 -2.437) 3.299 8.259 ( -1.575 1.570 -2.437) 3.299 8.432 ( -0.342 -5.695 -0.313) 5.714 8.432 ( -0.342 5.695 -0.313) 5.714 8.488 ( -5.588 -9.772 -4.113) 11.985 8.488 ( -5.588 9.772 -4.113) 11.985 8.609 ( -0.357 -2.467 -6.674) 7.124 8.609 ( -0.357 2.467 -6.674) 7.124 8.738 ( -2.883 -6.023 -4.967) 8.322 8.738 ( -2.883 6.023 -4.967) 8.322 8.817 ( 0.943 -7.317 -2.049) 7.657 8.817 ( 0.943 7.317 -2.049) 7.657 9.124 ( -5.222 -3.946 -3.147) 7.263 9.124 ( -5.222 3.946 -3.147) 7.263 9.159 ( -2.315 -8.367 -3.192) 9.249 9.159 ( -2.315 8.367 -3.192) 9.249 9.422 ( 0.555 -0.689 0.295) 0.933 9.422 ( 0.555 0.689 0.295) 0.933 9.591 ( -0.033 -5.675 -6.175) 8.387 9.591 ( -0.033 5.675 -6.175) 8.387 9.847 ( -2.418 -2.121 -3.240) 4.565 9.847 ( -2.418 2.121 -3.240) 4.565 10.013 ( -4.553 -8.364 1.952) 9.721 10.013 ( -4.553 8.364 1.952) 9.721 10.266 ( -6.486 -1.331 -3.350) 7.420 10.266 ( -6.486 1.331 -3.350) 7.420 10.386 ( -8.136 -5.778 4.695) 11.029 10.386 ( -8.136 5.778 4.695) 11.029 10.594 ( -7.428 -1.287 1.081) 7.615 10.594 ( -7.428 1.287 1.081) 7.615 11.634 ( -3.813 -0.752 1.948) 4.347 11.634 ( -3.813 0.752 1.948) 4.347 11.771 ( -6.078 -6.169 -0.923) 8.709 11.771 ( -6.078 6.169 -0.923) 8.709 11.982 ( -8.422 -10.316 1.681) 13.424 11.982 ( -8.422 10.316 1.681) 13.424 12.332 ( 4.757 -5.373 -1.784) 7.395 12.332 ( 4.757 5.373 -1.784) 7.395 12.510 ( -0.020 -11.234 -1.913) 11.396 12.510 ( -0.020 11.234 -1.913) 11.396 12.603 ( 1.814 -2.918 -4.087) 5.340 12.603 ( 1.814 2.918 -4.087) 5.340 12.923 ( 5.628 -7.597 0.350) 9.460 12.923 ( 5.628 7.597 0.350) 9.460 13.159 ( 1.251 -8.792 -2.213) 9.152 13.159 ( 1.251 8.792 -2.213) 9.152 13.353 ( 4.614 -0.234 -6.323) 7.831 13.353 ( 4.614 0.234 -6.323) 7.831 14.471 ( 3.355 -4.402 -4.214) 6.956 14.471 ( 3.355 4.402 -4.214) 6.956 15.312 ( 4.724 -3.778 -4.462) 7.517 15.312 ( 4.724 3.778 -4.462) 7.517 15.970 ( 0.835 -0.529 -3.310) 3.454 15.970 ( 0.835 0.529 -3.310) 3.454 20.539 ( 0.139 -1.849 0.513) 1.924 20.539 ( 0.139 1.849 0.513) 1.924 20.633 ( -0.475 -1.738 -0.506) 1.871 20.633 ( -0.475 1.738 -0.506) 1.871 21.609 ( 3.642 -1.479 0.851) 4.022 21.609 ( 3.642 1.479 0.851) 4.022 21.728 ( 2.517 -2.301 1.039) 3.565 21.728 ( 2.517 2.301 1.039) 3.565 21.803 ( 4.040 -0.895 0.701) 4.196 21.803 ( 4.040 0.895 0.701) 4.196 22.337 ( 2.414 -1.270 2.537) 3.725 22.337 ( 2.414 1.270 2.537) 3.725 22.448 ( 1.346 -1.573 3.510) 4.075 22.448 ( 1.346 1.573 3.510) 4.075 22.832 ( 6.833 -0.429 0.019) 6.846 22.832 ( 6.833 0.429 0.019) 6.846 23.133 ( 1.119 -1.413 3.230) 3.699 23.133 ( 1.119 1.413 3.230) 3.699 23.714 ( -5.339 -6.683 0.412) 8.564 23.714 ( -5.339 6.683 0.412) 8.564 24.181 ( -3.589 -8.941 -7.464) 12.187 24.181 ( -3.589 8.941 -7.464) 12.187 24.789 ( -2.412 -3.238 -6.495) 7.648 24.789 ( -2.412 3.238 -6.495) 7.648 25.398 ( 3.213 -0.306 -5.181) 6.104 25.398 ( 3.213 0.306 -5.181) 6.104 ======================= Grid point 80 (46/104) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.223 -27.397 1.385) 27.432 1.672 ( 0.223 27.397 1.385) 27.432 2.122 ( 8.737 -17.610 -6.810) 20.804 2.122 ( 8.737 17.610 -6.810) 20.804 2.256 ( 9.085 -4.188 -10.214) 14.297 2.256 ( 9.085 4.188 -10.214) 14.297 2.354 ( 9.376 -1.221 -8.110) 12.456 2.354 ( 9.376 1.221 -8.110) 12.456 2.545 ( 9.259 -2.133 -7.712) 12.238 2.545 ( 9.259 2.133 -7.712) 12.238 2.671 ( 5.846 -11.134 -2.953) 12.917 2.671 ( 5.846 11.134 -2.953) 12.917 2.919 ( 8.738 -1.671 -0.875) 8.939 2.919 ( 8.738 1.671 -0.875) 8.939 3.001 ( 3.123 -0.447 4.083) 5.160 3.001 ( 3.123 0.447 4.083) 5.160 3.217 ( 4.885 -4.286 1.036) 6.581 3.217 ( 4.885 4.286 1.036) 6.581 3.329 ( 5.396 -6.345 0.733) 8.361 3.329 ( 5.396 6.345 0.733) 8.361 3.439 ( 3.421 -2.746 3.000) 5.314 3.439 ( 3.421 2.746 3.000) 5.314 3.593 ( 6.077 -7.247 7.256) 11.920 3.593 ( 6.077 7.247 7.256) 11.920 3.687 ( 2.566 -3.369 9.457) 10.362 3.687 ( 2.566 3.369 9.457) 10.362 3.801 ( 3.200 -1.758 6.363) 7.336 3.801 ( 3.200 1.758 6.363) 7.336 3.950 ( 5.214 -2.628 4.517) 7.382 3.950 ( 5.214 2.628 4.517) 7.382 3.986 ( 9.280 -5.854 1.605) 11.089 3.986 ( 9.280 5.854 1.605) 11.089 4.072 ( 8.917 -7.308 8.674) 14.428 4.072 ( 8.917 7.308 8.674) 14.428 4.281 ( 2.234 -6.112 -0.424) 6.521 4.281 ( 2.234 6.112 -0.424) 6.521 4.402 ( 3.012 -3.416 3.406) 5.687 4.402 ( 3.012 3.416 3.406) 5.687 4.541 ( 4.882 -6.145 0.853) 7.894 4.541 ( 4.882 6.145 0.853) 7.894 4.648 ( 3.448 -2.298 1.422) 4.380 4.648 ( 3.448 2.298 1.422) 4.380 4.701 ( -0.424 -1.741 3.940) 4.329 4.701 ( -0.424 1.741 3.940) 4.329 4.806 ( 4.198 -5.854 4.096) 8.287 4.806 ( 4.198 5.854 4.096) 8.287 4.848 ( -0.520 -4.153 1.211) 4.357 4.848 ( -0.520 4.153 1.211) 4.357 4.952 ( 3.168 -2.530 4.669) 6.184 4.952 ( 3.168 2.530 4.669) 6.184 5.044 ( 6.907 -1.348 -2.766) 7.561 5.044 ( 6.907 1.348 -2.766) 7.561 5.174 ( 0.069 -1.693 3.511) 3.898 5.174 ( 0.069 1.693 3.511) 3.898 5.228 ( 8.034 -4.390 -1.469) 9.273 5.228 ( 8.034 4.390 -1.469) 9.273 5.367 ( -2.828 -2.448 -3.184) 4.912 5.367 ( -2.828 2.448 -3.184) 4.912 5.454 ( -3.798 -4.721 -3.179) 6.843 5.454 ( -3.798 4.721 -3.179) 6.843 5.612 ( -3.743 -2.095 -2.528) 4.979 5.612 ( -3.743 2.095 -2.528) 4.979 5.722 ( -6.195 -3.798 -1.862) 7.501 5.722 ( -6.195 3.798 -1.862) 7.501 5.776 ( -3.620 -2.379 0.391) 4.349 5.776 ( -3.620 2.379 0.391) 4.349 5.870 ( -4.361 -1.865 -3.931) 6.160 5.870 ( -4.361 1.865 -3.931) 6.160 5.928 ( 8.445 -2.347 -2.841) 9.214 5.928 ( 8.445 2.347 -2.841) 9.214 6.073 ( -1.342 -11.898 -0.648) 11.991 6.073 ( -1.342 11.898 -0.648) 11.991 6.214 ( 2.279 -1.268 -4.043) 4.811 6.214 ( 2.279 1.268 -4.043) 4.811 6.308 ( 6.052 -1.719 -3.418) 7.160 6.308 ( 6.052 1.719 -3.418) 7.160 6.431 ( 5.192 -5.535 2.722) 8.062 6.431 ( 5.192 5.535 2.722) 8.062 6.571 ( 5.620 -4.130 -1.196) 7.076 6.571 ( 5.620 4.130 -1.196) 7.076 6.754 ( 2.227 -2.967 -1.716) 4.087 6.754 ( 2.227 2.967 -1.716) 4.087 6.846 ( 0.556 -3.193 2.666) 4.197 6.846 ( 0.556 3.193 2.666) 4.197 7.052 ( -0.361 -13.582 2.225) 13.768 7.052 ( -0.361 13.582 2.225) 13.768 7.115 ( 2.152 -4.655 -0.102) 5.129 7.115 ( 2.152 4.655 -0.102) 5.129 7.205 ( -0.755 -2.925 -0.488) 3.060 7.205 ( -0.755 2.925 -0.488) 3.060 7.371 ( 0.401 -0.878 0.763) 1.230 7.371 ( 0.401 0.878 0.763) 1.230 7.497 ( -5.636 -1.545 -1.070) 5.941 7.497 ( -5.636 1.545 -1.070) 5.941 7.541 ( 1.350 -3.552 7.472) 8.383 7.541 ( 1.350 3.552 7.472) 8.383 7.643 ( 2.165 -6.498 3.366) 7.632 7.643 ( 2.165 6.498 3.366) 7.632 7.753 ( -2.481 -8.189 3.178) 9.128 7.753 ( -2.481 8.189 3.178) 9.128 7.837 ( -1.831 -2.549 -3.693) 4.846 7.837 ( -1.831 2.549 -3.693) 4.846 7.921 ( -5.721 -5.352 -0.307) 7.840 7.921 ( -5.721 5.352 -0.307) 7.840 8.095 ( -2.258 -5.390 -2.857) 6.505 8.095 ( -2.258 5.390 -2.857) 6.505 8.271 ( -4.956 -2.226 -2.152) 5.844 8.271 ( -4.956 2.226 -2.152) 5.844 8.332 ( 1.669 -6.903 2.691) 7.595 8.332 ( 1.669 6.903 2.691) 7.595 8.438 ( -3.386 -5.196 0.439) 6.217 8.438 ( -3.386 5.196 0.439) 6.217 8.574 ( 0.343 -5.690 -6.253) 8.461 8.574 ( 0.343 5.690 -6.253) 8.461 8.635 ( -0.541 -1.331 -4.248) 4.484 8.635 ( -0.541 1.331 -4.248) 4.484 8.851 ( 1.007 -3.272 1.082) 3.591 8.851 ( 1.007 3.272 1.082) 3.591 9.010 ( -4.875 -6.227 -1.123) 7.988 9.010 ( -4.875 6.227 -1.123) 7.988 9.099 ( 0.001 -8.925 -2.920) 9.390 9.099 ( 0.001 8.925 -2.920) 9.390 9.390 ( -1.901 -2.588 -4.001) 5.130 9.390 ( -1.901 2.588 -4.001) 5.130 9.534 ( -0.931 -4.883 -2.817) 5.714 9.534 ( -0.931 4.883 -2.817) 5.714 9.759 ( -3.384 -3.640 -3.341) 5.988 9.759 ( -3.384 3.640 -3.341) 5.988 9.933 ( -5.960 -7.901 0.666) 9.919 9.933 ( -5.960 7.901 0.666) 9.919 10.116 ( -6.339 -4.306 -3.549) 8.445 10.116 ( -6.339 4.306 -3.549) 8.445 10.299 ( -6.182 -8.890 3.521) 11.386 10.299 ( -6.182 8.890 3.521) 11.386 10.502 ( -5.889 -1.020 1.391) 6.136 10.502 ( -5.889 1.020 1.391) 6.136 11.556 ( -7.162 -5.192 2.510) 9.195 11.556 ( -7.162 5.192 2.510) 9.195 11.703 ( -1.602 -4.214 0.555) 4.542 11.703 ( -1.602 4.214 0.555) 4.542 11.899 ( -5.093 -12.384 2.790) 13.678 11.899 ( -5.093 12.384 2.790) 13.678 12.385 ( 3.275 -9.896 -1.169) 10.489 12.385 ( 3.275 9.896 -1.169) 10.489 12.505 ( 1.165 -10.953 -0.606) 11.031 12.505 ( 1.165 10.953 -0.606) 11.031 12.612 ( 1.832 -3.488 -0.873) 4.036 12.612 ( 1.832 3.488 -0.873) 4.036 13.024 ( 5.403 -3.155 0.912) 6.323 13.024 ( 5.403 3.155 0.912) 6.323 13.159 ( 0.266 -7.389 0.079) 7.394 13.159 ( 0.266 7.389 0.079) 7.394 13.389 ( 5.843 -2.325 -4.686) 7.843 13.389 ( 5.843 2.325 -4.686) 7.843 14.510 ( 4.581 -2.477 -1.949) 5.560 14.510 ( 4.581 2.477 -1.949) 5.560 15.363 ( 5.079 -4.335 -2.423) 7.103 15.363 ( 5.079 4.335 -2.423) 7.103 15.959 ( 1.046 -1.043 -2.010) 2.495 15.959 ( 1.046 1.043 -2.010) 2.495 20.556 ( 0.703 -1.701 1.534) 2.396 20.556 ( 0.703 1.701 1.534) 2.396 20.633 ( 0.258 -1.011 0.689) 1.250 20.633 ( 0.258 1.011 0.689) 1.250 21.678 ( 3.547 -1.331 0.638) 3.842 21.678 ( 3.547 1.331 0.638) 3.842 21.786 ( 2.856 -2.278 1.316) 3.883 21.786 ( 2.856 2.278 1.316) 3.883 21.883 ( 3.991 -0.489 1.648) 4.345 21.883 ( 3.991 0.489 1.648) 4.345 22.388 ( 1.343 -2.009 1.218) 2.706 22.388 ( 1.343 2.009 1.218) 2.706 22.485 ( 0.522 -1.920 1.388) 2.426 22.485 ( 0.522 1.920 1.388) 2.426 22.911 ( 4.916 -0.333 -4.408) 6.611 22.911 ( 4.916 0.333 -4.408) 6.611 23.157 ( -0.410 -1.281 0.275) 1.373 23.157 ( -0.410 1.281 0.275) 1.373 23.619 ( -4.840 -3.333 -2.424) 6.357 23.619 ( -4.840 3.333 -2.424) 6.357 24.086 ( -1.315 -6.681 -4.084) 7.940 24.086 ( -1.315 6.681 -4.084) 7.940 24.711 ( -1.061 -0.766 -3.576) 3.807 24.711 ( -1.061 0.766 -3.576) 3.807 25.405 ( 2.782 -1.365 -3.173) 4.435 25.405 ( 2.782 1.365 -3.173) 4.435 ======================= Grid point 82 (47/104) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -0.717 -36.934 6.832) 37.567 1.697 ( -0.717 36.934 6.832) 37.567 2.132 ( 2.815 -11.234 -8.446) 14.334 2.132 ( 2.815 11.234 -8.446) 14.334 2.291 ( 8.340 -0.812 -9.265) 12.492 2.291 ( 8.340 0.812 -9.265) 12.492 2.427 ( 7.947 -0.345 -8.697) 11.786 2.427 ( 7.947 0.345 -8.697) 11.786 2.508 ( -1.555 -2.879 -5.951) 6.792 2.508 ( -1.555 2.879 -5.951) 6.792 2.717 ( -1.204 -11.996 -2.871) 12.393 2.717 ( -1.204 11.996 -2.871) 12.393 2.948 ( -0.471 -2.632 -3.720) 4.582 2.948 ( -0.471 2.632 -3.720) 4.582 3.125 ( 2.287 -1.037 5.157) 5.736 3.125 ( 2.287 1.037 5.157) 5.736 3.309 ( 2.119 -3.192 0.992) 3.958 3.309 ( 2.119 3.192 0.992) 3.958 3.417 ( 4.847 -4.110 0.280) 6.361 3.417 ( 4.847 4.110 0.280) 6.361 3.557 ( 7.895 -4.887 -0.537) 9.300 3.557 ( 7.895 4.887 -0.537) 9.300 3.688 ( 0.415 -7.132 0.514) 7.162 3.688 ( 0.415 7.132 0.514) 7.162 3.775 ( 2.531 -4.092 4.316) 6.463 3.775 ( 2.531 4.092 4.316) 6.463 3.849 ( 1.627 -4.329 3.857) 6.022 3.849 ( 1.627 4.329 3.857) 6.022 4.101 ( 4.729 -3.037 4.979) 7.509 4.101 ( 4.729 3.037 4.979) 7.509 4.154 ( 5.780 -3.983 1.720) 7.227 4.154 ( 5.780 3.983 1.720) 7.227 4.261 ( -1.322 -6.603 1.313) 6.861 4.261 ( -1.322 6.603 1.313) 6.861 4.315 ( 4.692 -4.606 4.173) 7.787 4.315 ( 4.692 4.606 4.173) 7.787 4.473 ( 0.428 -4.406 2.454) 5.061 4.473 ( 0.428 4.406 2.454) 5.061 4.573 ( -9.733 -2.985 1.840) 10.345 4.573 ( -9.733 2.985 1.840) 10.345 4.683 ( 4.923 -6.166 1.777) 8.088 4.683 ( 4.923 6.166 1.777) 8.088 4.742 ( 0.630 -1.689 -1.119) 2.122 4.742 ( 0.630 1.689 -1.119) 2.122 4.824 ( -0.568 -4.853 0.264) 4.893 4.824 ( -0.568 4.853 0.264) 4.893 4.878 ( 2.106 -3.402 2.531) 4.735 4.878 ( 2.106 3.402 2.531) 4.735 5.027 ( 2.023 -1.462 2.179) 3.313 5.027 ( 2.023 1.462 2.179) 3.313 5.104 ( -2.017 -2.816 0.294) 3.477 5.104 ( -2.017 2.816 0.294) 3.477 5.161 ( 1.372 -2.326 4.689) 5.411 5.161 ( 1.372 2.326 4.689) 5.411 5.302 ( 0.275 -1.724 -1.867) 2.556 5.302 ( 0.275 1.724 -1.867) 2.556 5.389 ( -0.578 -4.744 0.517) 4.807 5.389 ( -0.578 4.744 0.517) 4.807 5.414 ( 3.153 -6.802 3.565) 8.301 5.414 ( 3.153 6.802 3.565) 8.301 5.575 ( 3.149 -0.854 2.070) 3.864 5.575 ( 3.149 0.854 2.070) 3.864 5.635 ( 5.412 -4.536 -0.470) 7.077 5.635 ( 5.412 4.536 -0.470) 7.077 5.695 ( -6.040 -2.395 0.532) 6.519 5.695 ( -6.040 2.395 0.532) 6.519 5.825 ( 0.112 -5.192 -2.853) 5.925 5.825 ( 0.112 5.192 -2.853) 5.925 5.965 ( -0.781 -5.033 -1.821) 5.409 5.965 ( -0.781 5.033 -1.821) 5.409 6.107 ( 2.171 -3.913 0.974) 4.580 6.107 ( 2.171 3.913 0.974) 4.580 6.263 ( 9.403 -2.064 -4.519) 10.635 6.263 ( 9.403 2.064 -4.519) 10.635 6.378 ( 5.737 -4.333 -5.469) 9.033 6.378 ( 5.737 4.333 -5.469) 9.033 6.476 ( 1.099 -4.594 -6.191) 7.788 6.476 ( 1.099 4.594 -6.191) 7.788 6.677 ( 5.932 -2.067 -2.177) 6.648 6.677 ( 5.932 2.067 -2.177) 6.648 6.788 ( 1.335 -1.761 1.182) 2.506 6.788 ( 1.335 1.761 1.182) 2.506 6.892 ( -0.487 -2.537 0.613) 2.655 6.892 ( -0.487 2.537 0.613) 2.655 6.971 ( -4.240 -9.631 -1.543) 10.636 6.971 ( -4.240 9.631 -1.543) 10.636 7.149 ( 1.336 -4.080 -0.131) 4.295 7.149 ( 1.336 4.080 -0.131) 4.295 7.207 ( -0.383 -0.944 0.761) 1.272 7.207 ( -0.383 0.944 0.761) 1.272 7.344 ( 1.596 -4.119 -2.483) 5.067 7.344 ( 1.596 4.119 -2.483) 5.067 7.455 ( -5.189 -4.351 3.216) 7.496 7.455 ( -5.189 4.351 3.216) 7.496 7.600 ( -3.144 -7.305 1.412) 8.078 7.600 ( -3.144 7.305 1.412) 8.078 7.645 ( -2.713 -1.816 2.969) 4.412 7.645 ( -2.713 1.816 2.969) 4.412 7.745 ( -0.772 -1.871 3.431) 3.984 7.745 ( -0.772 1.871 3.431) 3.984 7.820 ( 0.496 -3.015 0.336) 3.074 7.820 ( 0.496 3.015 0.336) 3.074 7.929 ( 2.832 -1.882 7.369) 8.116 7.929 ( 2.832 1.882 7.369) 8.116 8.027 ( -4.430 -9.139 0.148) 10.157 8.027 ( -4.430 9.139 0.148) 10.157 8.184 ( 0.134 -1.380 -1.291) 1.894 8.184 ( 0.134 1.380 -1.291) 1.894 8.295 ( -6.719 -4.016 -1.097) 7.905 8.295 ( -6.719 4.016 -1.097) 7.905 8.419 ( -2.319 -7.012 -0.103) 7.386 8.419 ( -2.319 7.012 -0.103) 7.386 8.517 ( 0.476 -5.959 -3.076) 6.723 8.517 ( 0.476 5.959 -3.076) 6.723 8.690 ( 6.707 -4.418 1.188) 8.119 8.690 ( 6.707 4.418 1.188) 8.119 8.819 ( -3.640 -1.721 0.791) 4.103 8.819 ( -3.640 1.721 0.791) 4.103 8.965 ( 0.156 -4.161 1.295) 4.360 8.965 ( 0.156 4.161 1.295) 4.360 9.137 ( 5.817 -1.403 -1.802) 6.249 9.137 ( 5.817 1.403 -1.802) 6.249 9.323 ( 0.805 -7.037 -5.455) 8.940 9.323 ( 0.805 7.037 -5.455) 8.940 9.513 ( 0.618 -1.244 -1.452) 2.009 9.513 ( 0.618 1.244 -1.452) 2.009 9.703 ( -0.427 -5.821 -0.333) 5.846 9.703 ( -0.427 5.821 -0.333) 5.846 9.853 ( -3.609 -4.628 0.072) 5.869 9.853 ( -3.609 4.628 0.072) 5.869 10.002 ( -3.356 -3.373 -2.716) 5.479 10.002 ( -3.356 3.373 -2.716) 5.479 10.241 ( -4.476 -8.419 2.451) 9.846 10.241 ( -4.476 8.419 2.451) 9.846 10.411 ( -4.860 -0.896 -1.156) 5.076 10.411 ( -4.860 0.896 -1.156) 5.076 11.481 ( -4.196 -5.467 2.213) 7.239 11.481 ( -4.196 5.467 2.213) 7.239 11.697 ( -0.902 -4.305 0.820) 4.474 11.697 ( -0.902 4.305 0.820) 4.474 11.854 ( -3.346 -12.876 3.870) 13.855 11.854 ( -3.346 12.876 3.870) 13.855 12.424 ( 2.434 -10.973 -0.550) 11.254 12.424 ( 2.434 10.973 -0.550) 11.254 12.536 ( 1.524 -9.776 1.840) 10.064 12.536 ( 1.524 9.776 1.840) 10.064 12.643 ( 1.864 -4.327 0.954) 4.807 12.643 ( 1.864 4.327 0.954) 4.807 13.115 ( 4.217 -6.107 0.912) 7.477 13.115 ( 4.217 6.107 0.912) 7.478 13.177 ( -0.087 -3.676 3.630) 5.167 13.177 ( -0.087 3.676 3.630) 5.167 13.458 ( 5.889 -3.861 -1.760) 7.259 13.458 ( 5.889 3.861 -1.760) 7.259 14.581 ( 4.615 -1.779 0.063) 4.946 14.581 ( 4.615 1.779 0.063) 4.946 15.431 ( 4.538 -4.667 -0.527) 6.531 15.431 ( 4.538 4.667 -0.527) 6.531 15.969 ( 1.667 -1.657 -0.677) 2.446 15.969 ( 1.667 1.657 -0.677) 2.446 20.588 ( 0.820 -1.377 2.359) 2.852 20.588 ( 0.820 1.377 2.359) 2.852 20.653 ( 0.716 -0.387 1.723) 1.905 20.653 ( 0.716 0.387 1.723) 1.905 21.737 ( 2.707 -1.351 0.610) 3.086 21.737 ( 2.707 1.351 0.610) 3.086 21.843 ( 2.041 -2.089 1.617) 3.338 21.843 ( 2.041 2.089 1.617) 3.338 21.964 ( 2.955 -0.916 2.869) 4.220 21.964 ( 2.955 0.916 2.869) 4.220 22.391 ( -1.303 -1.717 -1.143) 2.440 22.391 ( -1.303 1.717 -1.143) 2.440 22.504 ( 0.674 -1.379 0.851) 1.754 22.504 ( 0.674 1.379 0.851) 1.754 22.911 ( 2.396 -0.938 -8.532) 8.912 22.911 ( 2.396 0.938 -8.532) 8.912 23.125 ( -2.185 -0.871 -2.277) 3.274 23.125 ( -2.185 0.871 -2.277) 3.274 23.500 ( -5.151 -1.616 -5.157) 7.466 23.500 ( -5.151 1.616 -5.157) 7.466 24.054 ( 0.885 -5.818 -1.895) 6.183 24.054 ( 0.885 5.818 -1.895) 6.183 24.688 ( 1.211 -0.304 -1.352) 1.841 24.688 ( 1.211 0.304 -1.352) 1.841 25.439 ( 3.760 -2.152 -0.975) 4.441 25.439 ( 3.760 2.152 -0.975) 4.441 ======================= Grid point 86 (48/104) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.855 -28.599 3.359) 28.808 1.762 ( 0.855 28.599 3.359) 28.808 2.105 ( -0.798 -16.209 -4.570) 16.860 2.105 ( -0.798 16.209 -4.570) 16.860 2.252 ( -4.154 -3.510 -11.997) 13.173 2.252 ( -4.154 3.510 -11.997) 13.173 2.402 ( 5.023 -0.771 -3.472) 6.155 2.402 ( 5.023 0.771 -3.472) 6.155 2.551 ( 8.117 -1.816 -3.030) 8.852 2.551 ( 8.117 1.816 -3.030) 8.852 2.627 ( -6.978 -5.231 0.868) 8.764 2.627 ( -6.978 5.231 0.868) 8.764 2.863 ( -4.032 -2.796 -4.922) 6.950 2.863 ( -4.032 2.796 -4.922) 6.950 3.129 ( -5.344 -3.367 1.924) 6.603 3.129 ( -5.344 3.367 1.924) 6.603 3.294 ( -2.934 -6.535 -0.216) 7.166 3.294 ( -2.934 6.535 -0.216) 7.166 3.431 ( -1.702 -9.705 -1.844) 10.025 3.431 ( -1.702 9.705 -1.844) 10.025 3.609 ( -3.752 -3.011 0.260) 4.817 3.609 ( -3.752 3.011 0.260) 4.817 3.728 ( 4.123 -4.970 1.850) 6.717 3.728 ( 4.123 4.970 1.850) 6.717 3.835 ( -1.233 -1.261 1.608) 2.386 3.835 ( -1.233 1.261 1.608) 2.386 3.969 ( 6.249 -1.840 2.943) 7.148 3.969 ( 6.249 1.840 2.943) 7.148 4.055 ( -12.032 -1.354 -0.812) 12.135 4.055 ( -12.032 1.354 -0.812) 12.135 4.160 ( -3.685 -4.587 -0.086) 5.884 4.160 ( -3.685 4.587 -0.086) 5.884 4.229 ( -4.216 -1.987 2.757) 5.415 4.229 ( -4.216 1.987 2.757) 5.415 4.325 ( -8.896 -5.079 -1.879) 10.414 4.325 ( -8.896 5.079 -1.879) 10.414 4.426 ( -6.575 -4.364 3.951) 8.825 4.426 ( -6.575 4.364 3.951) 8.825 4.497 ( 3.830 -3.247 1.022) 5.123 4.497 ( 3.830 3.247 1.022) 5.123 4.674 ( 2.330 -5.994 -2.609) 6.940 4.674 ( 2.330 5.994 -2.609) 6.940 4.753 ( -7.614 -7.505 0.254) 10.694 4.753 ( -7.614 7.505 0.254) 10.694 4.796 ( -3.931 -5.725 -0.860) 6.998 4.796 ( -3.931 5.725 -0.860) 6.998 4.957 ( 3.308 -1.483 -1.136) 3.799 4.957 ( 3.308 1.483 -1.136) 3.799 5.008 ( -4.369 -4.121 -1.318) 6.148 5.008 ( -4.369 4.121 -1.318) 6.148 5.110 ( 3.087 -5.737 -1.491) 6.683 5.110 ( 3.087 5.737 -1.491) 6.683 5.211 ( -0.429 -6.187 2.528) 6.697 5.211 ( -0.429 6.187 2.528) 6.697 5.296 ( 0.478 -4.344 -0.017) 4.370 5.296 ( 0.478 4.344 -0.017) 4.370 5.446 ( 5.375 -8.169 1.300) 9.864 5.446 ( 5.375 8.169 1.300) 9.864 5.525 ( -2.100 -7.706 2.004) 8.234 5.525 ( -2.100 7.706 2.004) 8.234 5.563 ( 2.102 -3.460 3.521) 5.365 5.563 ( 2.102 3.460 3.521) 5.365 5.614 ( -1.688 -4.958 4.629) 6.990 5.614 ( -1.688 4.958 4.629) 6.990 5.826 ( 7.899 -2.288 3.978) 9.135 5.826 ( 7.899 2.288 3.978) 9.135 5.941 ( 13.978 -3.490 3.025) 14.721 5.941 ( 13.978 3.490 3.025) 14.721 6.068 ( 9.010 -0.875 6.655) 11.236 6.068 ( 9.010 0.875 6.655) 11.236 6.122 ( 1.369 -1.988 -0.537) 2.473 6.122 ( 1.369 1.988 -0.537) 2.473 6.293 ( -3.182 -2.899 0.866) 4.391 6.293 ( -3.182 2.899 0.866) 4.391 6.411 ( 3.293 -3.670 -2.874) 5.707 6.411 ( 3.293 3.670 -2.874) 5.707 6.479 ( 6.470 -0.480 -3.326) 7.291 6.479 ( 6.470 0.480 -3.326) 7.291 6.696 ( -2.473 -1.749 -1.094) 3.220 6.696 ( -2.473 1.749 -1.094) 3.220 6.787 ( -1.692 -3.984 -0.917) 4.425 6.787 ( -1.692 3.984 -0.917) 4.425 6.824 ( -2.616 -4.125 -4.897) 6.916 6.824 ( -2.616 4.125 -4.897) 6.916 6.911 ( -0.073 -6.353 -0.209) 6.357 6.911 ( -0.073 6.353 -0.209) 6.357 7.099 ( -10.094 -6.241 -2.762) 12.185 7.099 ( -10.094 6.241 -2.762) 12.185 7.219 ( 1.464 -3.184 1.348) 3.754 7.219 ( 1.464 3.184 1.348) 3.754 7.312 ( -8.108 -2.320 0.093) 8.434 7.312 ( -8.108 2.320 0.093) 8.434 7.367 ( -5.568 -0.934 0.351) 5.656 7.367 ( -5.568 0.934 0.351) 5.656 7.537 ( -1.197 -6.541 -0.365) 6.659 7.537 ( -1.197 6.541 -0.365) 6.659 7.614 ( -2.221 -2.272 2.792) 4.230 7.614 ( -2.221 2.272 2.792) 4.230 7.796 ( 6.103 -3.452 -1.041) 7.088 7.796 ( 6.103 3.452 -1.041) 7.088 7.876 ( -0.834 -3.922 5.261) 6.615 7.876 ( -0.834 3.922 5.261) 6.615 7.961 ( 1.758 -5.004 -0.767) 5.359 7.961 ( 1.758 5.004 -0.767) 5.359 8.108 ( 2.852 -3.998 4.500) 6.661 8.108 ( 2.852 3.998 4.500) 6.661 8.172 ( -0.583 -4.646 2.326) 5.228 8.172 ( -0.583 4.646 2.326) 5.228 8.257 ( 1.469 -6.527 0.373) 6.700 8.257 ( 1.469 6.527 0.373) 6.700 8.316 ( -2.017 -1.142 -1.591) 2.811 8.316 ( -2.017 1.142 -1.591) 2.811 8.535 ( 2.370 -6.213 -1.170) 6.752 8.535 ( 2.370 6.213 -1.170) 6.752 8.768 ( -2.212 -4.762 0.216) 5.255 8.768 ( -2.212 4.762 0.216) 5.255 8.823 ( 5.265 -3.086 2.343) 6.537 8.823 ( 5.265 3.086 2.343) 6.537 9.060 ( 7.784 -1.037 -0.479) 7.867 9.060 ( 7.784 1.037 -0.479) 7.867 9.194 ( 3.113 -5.069 -0.931) 6.021 9.194 ( 3.113 5.069 -0.931) 6.021 9.353 ( 6.869 -10.334 -2.745) 12.708 9.353 ( 6.869 10.334 -2.745) 12.708 9.520 ( 3.290 -2.542 -3.548) 5.466 9.520 ( 3.290 2.542 -3.548) 5.466 9.732 ( 2.030 -4.321 0.888) 4.856 9.732 ( 2.030 4.321 0.888) 4.856 9.829 ( 1.362 -2.816 0.656) 3.196 9.829 ( 1.362 2.816 0.656) 3.196 9.964 ( 0.613 -6.915 -0.432) 6.956 9.964 ( 0.613 6.915 -0.432) 6.956 10.190 ( -2.838 -6.476 0.143) 7.072 10.190 ( -2.838 6.476 0.143) 7.072 10.331 ( -1.970 -0.450 -2.787) 3.442 10.331 ( -1.970 0.450 -2.787) 3.442 11.452 ( -0.995 -4.303 0.817) 4.492 11.452 ( -0.995 4.303 0.817) 4.492 11.664 ( -1.451 -3.197 -2.893) 4.549 11.664 ( -1.451 3.197 -2.893) 4.549 11.884 ( -0.400 -11.772 8.093) 14.291 11.884 ( -0.400 11.772 8.093) 14.291 12.457 ( 1.731 -9.202 0.120) 9.364 12.457 ( 1.731 9.202 0.120) 9.364 12.580 ( 0.876 -7.893 2.868) 8.443 12.580 ( 0.876 7.893 2.868) 8.443 12.698 ( 2.352 -6.419 3.414) 7.642 12.698 ( 2.352 6.419 3.414) 7.642 13.180 ( 1.296 -7.711 3.330) 8.499 13.180 ( 1.296 7.711 3.330) 8.499 13.229 ( 1.089 -2.815 4.923) 5.775 13.229 ( 1.089 2.815 4.923) 5.775 13.541 ( 3.997 -4.562 0.854) 6.125 13.541 ( 3.997 4.562 0.854) 6.125 14.659 ( 3.719 -2.093 1.261) 4.450 14.659 ( 3.719 2.093 1.261) 4.450 15.499 ( 3.307 -4.519 0.558) 5.627 15.499 ( 3.307 4.519 0.558) 5.627 16.002 ( 2.488 -0.452 0.135) 2.533 16.002 ( 2.488 0.452 0.135) 2.533 20.625 ( 0.496 -0.871 2.757) 2.934 20.625 ( 0.496 0.871 2.757) 2.934 20.688 ( 0.990 -0.292 2.431) 2.641 20.688 ( 0.990 0.292 2.431) 2.641 21.776 ( 1.082 -1.500 0.541) 1.927 21.776 ( 1.082 1.500 0.541) 1.927 21.883 ( 0.782 -2.071 1.824) 2.868 21.883 ( 0.782 2.071 1.824) 2.868 22.034 ( 1.426 -1.432 4.097) 4.569 22.034 ( 1.426 1.432 4.097) 4.569 22.330 ( -3.259 -0.896 -2.884) 4.443 22.330 ( -3.259 0.896 -2.884) 4.443 22.514 ( -0.624 -0.729 -0.035) 0.960 22.514 ( -0.624 0.729 -0.035) 0.960 22.833 ( 0.049 -2.176 -11.636) 11.838 22.833 ( 0.049 2.176 -11.636) 11.838 23.047 ( -3.524 -0.462 -3.392) 4.913 23.047 ( -3.524 0.462 -3.392) 4.913 23.348 ( -6.241 -0.784 -6.436) 8.999 23.348 ( -6.241 0.784 -6.436) 8.999 24.076 ( 3.124 -5.987 -0.864) 6.808 24.076 ( 3.124 5.987 -0.864) 6.808 24.724 ( 3.958 -1.060 -0.302) 4.109 24.724 ( 3.958 1.060 -0.302) 4.109 25.512 ( 5.221 -1.973 0.204) 5.585 25.512 ( 5.221 1.973 0.204) 5.585 ======================= Grid point 88 (49/104) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -8.138 -12.377 -6.122) 16.028 1.713 ( -8.138 12.377 -6.122) 16.028 1.880 ( -12.380 -12.931 -2.661) 18.098 1.880 ( -12.380 12.931 -2.661) 18.098 2.213 ( -1.247 -1.807 0.015) 2.195 2.213 ( -1.247 1.807 0.015) 2.195 2.301 ( -16.614 -5.318 -3.552) 17.803 2.301 ( -16.614 5.318 -3.552) 17.803 2.594 ( 4.725 -1.978 3.016) 5.944 2.594 ( 4.725 1.978 3.016) 5.944 2.695 ( 8.727 -1.555 0.293) 8.869 2.695 ( 8.727 1.555 0.293) 8.869 2.761 ( -0.834 -3.687 -4.722) 6.049 2.761 ( -0.834 3.687 -4.722) 6.049 3.019 ( -6.521 -2.493 -0.195) 6.984 3.019 ( -6.521 2.493 -0.195) 6.984 3.245 ( -2.321 -5.400 -1.919) 6.183 3.245 ( -2.321 5.400 -1.919) 6.183 3.361 ( -5.549 -8.249 -0.075) 9.942 3.361 ( -5.549 8.249 -0.075) 9.942 3.500 ( -13.009 -5.344 1.642) 14.160 3.500 ( -13.009 5.344 1.642) 14.160 3.681 ( -8.677 -1.419 -0.240) 8.796 3.681 ( -8.677 1.419 -0.240) 8.796 3.725 ( -11.622 -3.731 -0.672) 12.225 3.725 ( -11.622 3.731 -0.672) 12.225 3.904 ( -7.499 -5.263 1.711) 9.320 3.904 ( -7.499 5.263 1.711) 9.320 4.007 ( -9.331 -9.994 1.345) 13.739 4.007 ( -9.331 9.994 1.345) 13.739 4.056 ( -5.290 -5.644 -2.959) 8.282 4.056 ( -5.290 5.644 -2.959) 8.282 4.111 ( -4.654 -4.575 -0.947) 6.594 4.111 ( -4.654 4.575 -0.947) 6.594 4.187 ( -6.377 -2.897 -1.981) 7.279 4.187 ( -6.377 2.897 -1.981) 7.279 4.334 ( -9.124 -4.239 4.099) 10.864 4.334 ( -9.124 4.239 4.099) 10.864 4.449 ( -12.074 -2.169 -3.832) 12.852 4.449 ( -12.074 2.169 -3.832) 12.852 4.655 ( -3.623 -4.284 -1.666) 5.853 4.655 ( -3.623 4.284 -1.666) 5.853 4.694 ( 4.587 -3.552 -1.346) 5.956 4.694 ( 4.587 3.552 -1.346) 5.956 4.748 ( -0.988 -8.495 1.211) 8.637 4.748 ( -0.988 8.495 1.211) 8.637 4.866 ( -1.085 -3.814 -2.558) 4.719 4.866 ( -1.085 3.814 -2.558) 4.719 4.925 ( -2.013 -5.781 -1.018) 6.205 4.925 ( -2.013 5.781 -1.018) 6.205 5.120 ( -1.564 -5.697 -2.331) 6.351 5.120 ( -1.564 5.697 -2.331) 6.351 5.232 ( -0.532 -8.097 -0.260) 8.119 5.232 ( -0.532 8.097 -0.260) 8.119 5.344 ( 1.789 -3.850 2.427) 4.890 5.344 ( 1.789 3.850 2.427) 4.890 5.407 ( -1.835 -1.986 -2.754) 3.859 5.407 ( -1.835 1.986 -2.754) 3.859 5.572 ( 1.378 -8.101 3.419) 8.901 5.572 ( 1.378 8.101 3.419) 8.901 5.673 ( 5.912 -8.522 6.936) 12.477 5.673 ( 5.912 8.522 6.936) 12.477 5.804 ( 8.614 -0.532 6.723) 10.940 5.804 ( 8.614 0.532 6.723) 10.940 5.911 ( -2.056 -0.979 2.334) 3.260 5.911 ( -2.056 0.979 2.334) 3.260 6.036 ( -5.758 -6.568 0.891) 8.780 6.036 ( -5.758 6.568 0.891) 8.780 6.184 ( 4.794 -3.219 -1.887) 6.075 6.184 ( 4.794 3.219 -1.887) 6.075 6.267 ( 3.015 -1.295 4.630) 5.675 6.267 ( 3.015 1.295 4.630) 5.675 6.396 ( 10.750 -1.956 10.839) 15.390 6.396 ( 10.750 1.956 10.839) 15.390 6.462 ( -6.350 -2.281 2.426) 7.170 6.462 ( -6.350 2.281 2.426) 7.170 6.551 ( 10.481 -2.209 1.274) 10.786 6.551 ( 10.481 2.209 1.274) 10.786 6.608 ( -1.951 -1.107 -2.159) 3.113 6.608 ( -1.951 1.107 -2.159) 3.113 6.672 ( -8.325 -4.489 -1.473) 9.572 6.672 ( -8.325 4.489 -1.473) 9.572 6.804 ( -0.072 -2.254 1.307) 2.607 6.804 ( -0.072 2.254 1.307) 2.607 6.911 ( -1.088 -4.239 0.382) 4.393 6.911 ( -1.088 4.239 0.382) 4.393 6.954 ( -1.509 -6.782 -1.870) 7.195 6.954 ( -1.509 6.782 -1.870) 7.195 7.138 ( -3.503 -2.460 0.181) 4.284 7.138 ( -3.503 2.460 0.181) 4.284 7.225 ( -3.890 -1.222 3.585) 5.430 7.225 ( -3.890 1.222 3.585) 5.430 7.369 ( 3.217 -3.990 0.813) 5.190 7.369 ( 3.217 3.990 0.813) 5.190 7.504 ( -0.353 -4.971 -1.237) 5.135 7.504 ( -0.353 4.971 -1.237) 5.135 7.640 ( -0.682 -3.374 1.776) 3.873 7.640 ( -0.682 3.374 1.776) 3.873 7.833 ( -1.084 -4.907 1.940) 5.386 7.833 ( -1.084 4.907 1.940) 5.386 7.903 ( 0.375 -3.254 -2.937) 4.399 7.903 ( 0.375 3.254 -2.937) 4.399 8.028 ( 7.416 -5.099 -2.799) 9.425 8.028 ( 7.416 5.099 -2.799) 9.425 8.081 ( 2.327 -4.027 -1.216) 4.808 8.081 ( 2.327 4.027 -1.216) 4.808 8.229 ( 1.328 -2.734 1.860) 3.563 8.229 ( 1.328 2.734 1.860) 3.563 8.331 ( 5.104 -3.233 2.024) 6.372 8.331 ( 5.104 3.233 2.024) 6.372 8.403 ( 6.317 -4.514 2.548) 8.172 8.403 ( 6.317 4.514 2.548) 8.172 8.574 ( 3.186 -6.327 -0.414) 7.096 8.574 ( 3.186 6.327 -0.414) 7.096 8.713 ( -2.758 -9.710 -0.805) 10.126 8.713 ( -2.758 9.710 -0.805) 10.126 8.928 ( 2.882 -3.182 2.960) 5.215 8.928 ( 2.882 3.182 2.960) 5.215 9.104 ( 3.796 -3.383 -8.850) 10.207 9.104 ( 3.796 3.383 -8.850) 10.207 9.271 ( 2.274 -4.761 3.555) 6.362 9.271 ( 2.274 4.761 3.555) 6.362 9.433 ( 5.418 -7.557 -4.417) 10.295 9.433 ( 5.418 7.557 -4.417) 10.295 9.574 ( 6.024 -3.243 -1.316) 6.966 9.574 ( 6.024 3.243 -1.316) 6.966 9.768 ( 3.205 -2.602 -1.482) 4.387 9.768 ( 3.205 2.602 -1.482) 4.387 9.896 ( 4.009 -5.019 -0.482) 6.442 9.896 ( 4.009 5.019 -0.482) 6.442 10.008 ( 4.570 -4.045 0.271) 6.109 10.008 ( 4.570 4.045 0.271) 6.109 10.176 ( 2.472 -3.846 -0.864) 4.653 10.176 ( 2.472 3.846 -0.864) 4.653 10.300 ( 2.290 -5.352 -3.559) 6.823 10.300 ( 2.290 5.352 -3.559) 6.823 11.474 ( 3.912 -2.988 -0.495) 4.948 11.474 ( 3.912 2.988 -0.495) 4.948 11.624 ( 0.750 -1.972 -2.763) 3.476 11.624 ( 0.750 1.972 -2.763) 3.476 11.957 ( -0.943 -12.087 8.021) 14.537 11.957 ( -0.943 12.087 8.021) 14.537 12.483 ( 0.763 -7.291 0.756) 7.370 12.483 ( 0.763 7.291 0.756) 7.370 12.619 ( 0.593 -7.688 2.673) 8.161 12.619 ( 0.593 7.688 2.673) 8.161 12.783 ( 2.872 -9.082 4.538) 10.551 12.783 ( 2.872 9.082 4.538) 10.551 13.231 ( -0.600 -4.785 5.853) 7.584 13.231 ( -0.600 4.785 5.853) 7.584 13.291 ( 0.456 -4.440 4.893) 6.623 13.291 ( 0.456 4.440 4.893) 6.623 13.590 ( 0.048 -4.440 1.460) 4.674 13.590 ( 0.048 4.440 1.460) 4.674 14.722 ( 2.320 -3.033 1.129) 3.982 14.722 ( 2.320 3.033 1.129) 3.982 15.546 ( 1.661 -3.646 0.403) 4.027 15.546 ( 1.661 3.646 0.403) 4.027 16.050 ( 2.887 -2.158 0.108) 3.606 16.050 ( 2.887 2.158 0.108) 3.606 20.653 ( -0.278 -0.878 2.487) 2.652 20.653 ( -0.278 0.878 2.487) 2.652 20.730 ( 1.331 -1.157 2.354) 2.942 20.730 ( 1.331 1.157 2.354) 2.942 21.779 ( -1.396 -1.486 0.381) 2.074 21.779 ( -1.396 1.486 0.381) 2.074 21.905 ( -0.106 -3.361 1.629) 3.736 21.905 ( -0.106 3.361 1.629) 3.736 22.088 ( -0.126 -1.657 4.663) 4.950 22.088 ( -0.126 1.657 4.663) 4.950 22.238 ( -4.179 -0.425 -2.799) 5.048 22.238 ( -4.179 0.425 -2.799) 5.048 22.458 ( -4.231 -1.738 -4.208) 6.215 22.458 ( -4.231 1.738 -4.208) 6.215 22.704 ( -1.338 -4.931 -12.473) 13.479 22.704 ( -1.338 4.931 -12.473) 13.479 22.956 ( -3.775 -0.356 -1.952) 4.265 22.956 ( -3.775 0.356 -1.952) 4.265 23.184 ( -6.706 -0.390 -3.366) 7.513 23.184 ( -6.706 0.390 -3.366) 7.513 24.141 ( 5.675 -7.442 -0.877) 9.400 24.141 ( 5.675 7.442 -0.877) 9.400 24.811 ( 6.711 -4.436 -0.661) 8.072 24.811 ( 6.711 4.436 -0.661) 8.072 25.609 ( 5.978 -1.366 -0.385) 6.145 25.609 ( 5.978 1.366 -0.385) 6.145 ======================= Grid point 90 (50/104) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -17.098 -11.951 6.526) 21.857 1.452 ( -17.098 11.951 6.526) 21.857 1.658 ( -19.091 -18.242 1.903) 26.474 1.658 ( -19.091 18.242 1.903) 26.474 1.949 ( -16.559 -25.575 1.509) 30.505 1.949 ( -16.559 25.575 1.509) 30.505 2.149 ( -6.476 -16.588 2.939) 18.049 2.149 ( -6.476 16.588 2.939) 18.049 2.657 ( -2.484 -0.886 -2.128) 3.389 2.657 ( -2.484 0.886 -2.128) 3.389 2.758 ( 1.056 -4.932 -1.844) 5.370 2.758 ( 1.056 4.932 -1.844) 5.370 2.812 ( -3.345 -2.768 -6.805) 8.072 2.812 ( -3.345 2.768 -6.805) 8.072 2.955 ( -1.017 -1.288 1.392) 2.152 2.955 ( -1.017 1.288 1.392) 2.152 3.036 ( -17.566 -4.538 1.426) 18.199 3.036 ( -17.566 4.538 1.426) 18.199 3.174 ( -11.890 -7.340 0.398) 13.979 3.174 ( -11.890 7.340 0.398) 13.979 3.280 ( -12.618 -6.785 -4.206) 14.931 3.280 ( -12.618 6.785 -4.206) 14.931 3.437 ( -10.846 -2.150 3.672) 11.651 3.437 ( -10.846 2.150 3.672) 11.651 3.599 ( -10.836 -0.566 -5.431) 12.134 3.599 ( -10.836 0.566 -5.431) 12.134 3.726 ( -9.446 -4.719 -0.153) 10.561 3.726 ( -9.446 4.719 -0.153) 10.561 3.831 ( -8.759 -0.935 5.965) 10.638 3.831 ( -8.759 0.935 5.965) 10.638 3.926 ( -5.870 -1.073 -5.252) 7.949 3.926 ( -5.870 1.073 -5.252) 7.949 4.047 ( -3.795 -1.910 -4.345) 6.077 4.047 ( -3.795 1.910 -4.345) 6.077 4.109 ( -0.238 -3.143 2.084) 3.779 4.109 ( -0.238 3.143 2.084) 3.779 4.196 ( -5.689 -1.849 -2.726) 6.574 4.196 ( -5.689 1.849 -2.726) 6.574 4.318 ( -3.287 -4.140 2.756) 5.962 4.318 ( -3.287 4.140 2.756) 5.962 4.501 ( -7.332 -5.010 -3.462) 9.531 4.501 ( -7.332 5.010 -3.462) 9.531 4.634 ( -6.648 -6.771 1.044) 9.546 4.634 ( -6.648 6.771 1.044) 9.546 4.844 ( -0.201 -9.521 0.143) 9.524 4.844 ( -0.201 9.521 0.143) 9.524 4.903 ( 3.576 -1.947 0.416) 4.093 4.903 ( 3.576 1.947 0.416) 4.093 4.934 ( 0.659 -6.732 3.276) 7.516 4.934 ( 0.659 6.732 3.276) 7.516 5.072 ( -1.244 -4.233 0.567) 4.448 5.072 ( -1.244 4.233 0.567) 4.448 5.180 ( -5.663 -3.794 1.107) 6.906 5.180 ( -5.663 3.794 1.107) 6.906 5.312 ( -1.626 -7.931 0.302) 8.102 5.312 ( -1.626 7.931 0.302) 8.102 5.424 ( -2.159 -1.947 2.235) 3.667 5.424 ( -2.159 1.947 2.235) 3.667 5.587 ( -0.765 -4.848 0.743) 4.964 5.587 ( -0.765 4.848 0.743) 4.964 5.753 ( -10.279 -9.827 1.313) 14.282 5.753 ( -10.279 9.827 1.313) 14.282 5.825 ( -2.544 -8.944 3.868) 10.071 5.825 ( -2.544 8.944 3.868) 10.071 5.905 ( 1.097 -6.283 0.258) 6.383 5.905 ( 1.097 6.283 0.258) 6.383 6.005 ( -0.582 -3.941 -0.234) 3.991 6.005 ( -0.582 3.941 -0.234) 3.991 6.151 ( -7.875 -1.699 -1.659) 8.225 6.151 ( -7.875 1.699 -1.659) 8.225 6.234 ( -5.691 -2.326 0.440) 6.163 6.234 ( -5.691 2.326 0.440) 6.163 6.377 ( 3.427 -1.296 -1.003) 3.798 6.377 ( 3.427 1.296 -1.003) 3.798 6.547 ( -2.123 -5.584 4.823) 7.678 6.547 ( -2.123 5.584 4.823) 7.678 6.633 ( -0.483 -2.457 5.661) 6.190 6.633 ( -0.483 2.457 5.661) 6.190 6.668 ( 3.517 -4.199 2.990) 6.241 6.668 ( 3.517 4.199 2.990) 6.241 6.761 ( 7.591 -7.659 2.654) 11.105 6.761 ( 7.591 7.659 2.654) 11.105 6.817 ( 5.836 -1.330 0.741) 6.031 6.817 ( 5.836 1.330 0.741) 6.031 6.950 ( 4.300 -3.125 -1.959) 5.665 6.950 ( 4.300 3.125 -1.959) 5.665 7.047 ( 7.506 -4.056 5.699) 10.260 7.047 ( 7.506 4.056 5.699) 10.260 7.110 ( 2.618 -4.405 -0.345) 5.136 7.110 ( 2.618 4.405 -0.345) 5.136 7.265 ( 1.068 -2.808 5.578) 6.336 7.265 ( 1.068 2.808 5.578) 6.336 7.416 ( 2.371 -10.767 -1.821) 11.174 7.416 ( 2.371 10.767 -1.821) 11.174 7.537 ( 4.754 -2.196 -0.065) 5.237 7.537 ( 4.754 2.196 -0.065) 5.237 7.645 ( 1.996 -0.839 0.424) 2.206 7.645 ( 1.996 0.839 0.424) 2.206 7.784 ( -3.820 -3.687 -1.242) 5.452 7.784 ( -3.820 3.687 -1.242) 5.452 7.938 ( 3.002 -3.363 1.165) 4.656 7.938 ( 3.002 3.363 1.165) 4.656 8.055 ( 1.256 -3.012 -2.718) 4.247 8.055 ( 1.256 3.012 -2.718) 4.247 8.194 ( 8.809 -6.570 -1.392) 11.077 8.194 ( 8.809 6.570 -1.392) 11.077 8.283 ( 3.303 -2.279 0.579) 4.055 8.283 ( 3.303 2.279 0.579) 4.055 8.417 ( 3.784 -0.803 -0.781) 3.947 8.417 ( 3.784 0.803 -0.781) 3.947 8.486 ( 2.642 -5.498 -1.404) 6.260 8.486 ( 2.642 5.498 -1.404) 6.260 8.586 ( -0.698 -6.190 0.374) 6.241 8.586 ( -0.698 6.190 0.374) 6.241 8.749 ( 6.258 -6.011 2.944) 9.163 8.749 ( 6.258 6.011 2.944) 9.163 8.948 ( -1.123 -2.461 -1.267) 2.987 8.948 ( -1.123 2.461 -1.267) 2.987 9.064 ( -0.728 -2.822 -5.784) 6.477 9.064 ( -0.728 2.822 -5.784) 6.477 9.294 ( 0.946 -5.490 -1.899) 5.885 9.294 ( 0.946 5.490 -1.899) 5.885 9.463 ( 0.949 -4.743 -0.953) 4.930 9.463 ( 0.949 4.743 -0.953) 4.930 9.661 ( 5.184 -6.467 -0.598) 8.310 9.661 ( 5.184 6.467 -0.598) 8.310 9.807 ( 3.666 -2.712 -3.596) 5.807 9.807 ( 3.666 2.712 -3.596) 5.807 9.919 ( 0.687 -6.473 -1.257) 6.630 9.919 ( 0.687 6.473 -1.257) 6.630 10.093 ( 4.596 -3.696 -0.463) 5.916 10.093 ( 4.596 3.696 -0.463) 5.916 10.238 ( 3.894 -1.806 -0.513) 4.323 10.238 ( 3.894 1.806 -0.513) 4.323 10.388 ( 13.645 -7.904 -4.043) 16.279 10.388 ( 13.645 7.904 -4.043) 16.279 11.579 ( 8.616 -1.356 -0.405) 8.731 11.579 ( 8.616 1.356 -0.405) 8.731 11.659 ( 5.046 -1.158 0.399) 5.192 11.659 ( 5.046 1.158 0.399) 5.192 11.997 ( -1.296 -12.536 5.135) 13.609 11.997 ( -1.296 12.536 5.135) 13.609 12.493 ( -0.433 -7.508 0.622) 7.546 12.493 ( -0.433 7.508 0.622) 7.546 12.643 ( -0.320 -7.735 1.091) 7.818 12.643 ( -0.320 7.735 1.091) 7.818 12.860 ( 2.116 -10.128 1.035) 10.398 12.860 ( 2.116 10.128 1.035) 10.398 13.257 ( -2.442 -1.873 4.257) 5.253 13.257 ( -2.442 1.873 4.257) 5.253 13.341 ( -0.314 -3.238 5.211) 6.144 13.341 ( -0.314 3.238 5.211) 6.144 13.560 ( -4.619 -3.077 0.644) 5.587 13.560 ( -4.619 3.077 0.644) 5.587 14.753 ( 0.897 -4.148 -0.678) 4.297 14.753 ( 0.897 4.148 -0.678) 4.297 15.557 ( -0.171 -2.185 -1.161) 2.480 15.557 ( -0.171 2.185 -1.161) 2.480 16.092 ( 2.309 -4.712 -0.824) 5.312 16.092 ( 2.309 4.712 -0.824) 5.312 20.658 ( -1.293 -1.980 1.223) 2.663 20.658 ( -1.293 1.980 1.223) 2.663 20.776 ( 1.930 -2.656 1.073) 3.454 20.776 ( 1.930 2.656 1.073) 3.454 21.732 ( -4.251 -0.842 -0.508) 4.363 21.732 ( -4.251 0.842 -0.508) 4.363 21.909 ( -0.994 -5.000 0.704) 5.147 21.909 ( -0.994 5.000 0.704) 5.147 22.109 ( -1.992 -0.583 2.214) 3.035 22.109 ( -1.992 0.583 2.214) 3.035 22.147 ( -4.120 -0.128 -0.998) 4.241 22.147 ( -4.120 0.128 -0.998) 4.241 22.300 ( -6.766 -3.125 -6.906) 10.161 22.300 ( -6.766 3.125 -6.906) 10.161 22.541 ( -4.478 -7.816 -11.755) 14.809 22.541 ( -4.478 7.816 -11.755) 14.809 22.902 ( -2.301 -0.597 1.583) 2.856 22.902 ( -2.301 0.597 1.583) 2.856 23.104 ( -3.366 -1.878 7.200) 8.166 23.104 ( -3.366 1.878 7.200) 8.166 24.248 ( 8.652 -11.169 -1.988) 14.268 24.248 ( 8.652 11.169 -1.988) 14.268 24.928 ( 8.767 -8.184 -2.648) 12.282 24.928 ( 8.767 8.184 -2.648) 12.282 25.687 ( 4.678 -1.192 -3.206) 5.796 25.687 ( 4.678 1.192 -3.206) 5.796 ======================= Grid point 92 (51/104) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -11.804 -17.392 14.074) 25.296 1.336 ( -11.804 17.392 14.074) 25.296 1.393 ( -16.329 -9.730 21.991) 29.067 1.393 ( -16.329 9.730 21.991) 29.067 1.802 ( -7.679 -27.925 6.230) 29.624 1.802 ( -7.679 27.925 6.230) 29.624 2.080 ( -27.979 -12.901 4.433) 31.128 2.080 ( -27.979 12.901 4.433) 31.128 2.165 ( -20.658 -14.092 7.625) 26.143 2.165 ( -20.658 14.092 7.625) 26.143 2.543 ( -10.334 -3.178 -7.341) 13.068 2.543 ( -10.334 3.178 -7.341) 13.068 2.695 ( -17.402 -2.902 -6.030) 18.644 2.695 ( -17.402 2.902 -6.030) 18.644 2.836 ( -6.764 -4.230 -6.073) 10.026 2.836 ( -6.764 4.230 -6.073) 10.026 2.988 ( -4.599 -7.977 -0.776) 9.241 2.988 ( -4.599 7.977 -0.776) 9.241 3.038 ( -8.662 -15.427 1.939) 17.798 3.038 ( -8.662 15.427 1.939) 17.798 3.134 ( -0.335 -6.597 2.563) 7.085 3.134 ( -0.335 6.597 2.563) 7.085 3.276 ( -4.736 -4.316 -5.840) 8.669 3.276 ( -4.736 4.316 -5.840) 8.669 3.396 ( -2.019 -5.183 1.231) 5.697 3.396 ( -2.019 5.183 1.231) 5.697 3.589 ( -4.907 -0.353 -6.146) 7.873 3.589 ( -4.907 0.353 -6.146) 7.873 3.798 ( 0.922 -2.990 -4.140) 5.189 3.798 ( 0.922 2.990 -4.140) 5.189 3.890 ( 1.094 -5.662 4.822) 7.516 3.890 ( 1.094 5.662 4.822) 7.516 3.945 ( -4.977 -6.907 0.856) 8.556 3.945 ( -4.977 6.907 0.856) 8.556 4.089 ( -3.169 -4.562 -3.121) 6.372 4.089 ( -3.169 4.562 -3.121) 6.372 4.144 ( -2.983 -3.756 3.274) 5.807 4.144 ( -2.983 3.756 3.274) 5.807 4.310 ( -3.026 -3.402 5.363) 7.035 4.310 ( -3.026 3.402 5.363) 7.035 4.428 ( 1.293 -4.528 -0.585) 4.746 4.428 ( 1.293 4.528 -0.585) 4.746 4.552 ( -4.581 -4.986 2.187) 7.115 4.552 ( -4.581 4.986 2.187) 7.115 4.744 ( -8.492 -2.911 -0.347) 8.984 4.744 ( -8.492 2.911 -0.347) 8.984 4.852 ( -8.571 -2.050 -2.689) 9.214 4.852 ( -8.571 2.050 -2.689) 9.214 4.912 ( -3.337 -8.411 -1.216) 9.130 4.912 ( -3.337 8.411 -1.216) 9.130 5.034 ( -5.010 -7.714 2.942) 9.658 5.034 ( -5.010 7.714 2.942) 9.658 5.191 ( -1.745 -0.804 5.675) 5.992 5.191 ( -1.745 0.804 5.675) 5.992 5.276 ( -4.592 -8.121 3.840) 10.089 5.276 ( -4.592 8.121 3.840) 10.089 5.392 ( -3.624 -5.297 2.310) 6.821 5.392 ( -3.624 5.297 2.310) 6.821 5.523 ( -11.334 -6.819 -3.097) 13.585 5.523 ( -11.334 6.819 -3.097) 13.585 5.592 ( -1.294 -1.772 -1.281) 2.540 5.592 ( -1.294 1.772 -1.281) 2.540 5.753 ( -7.727 -13.753 5.089) 16.576 5.753 ( -7.727 13.753 5.089) 16.576 5.834 ( -2.477 -1.588 -5.467) 6.209 5.834 ( -2.477 1.588 -5.467) 6.209 6.005 ( 5.701 -8.713 -1.791) 10.565 6.005 ( 5.701 8.713 -1.791) 10.565 6.136 ( 4.549 -2.513 -2.399) 5.724 6.136 ( 4.549 2.513 -2.399) 5.724 6.222 ( -0.571 -3.062 2.890) 4.249 6.222 ( -0.571 3.062 2.890) 4.249 6.451 ( 0.310 -3.972 1.846) 4.391 6.451 ( 0.310 3.972 1.846) 4.391 6.534 ( 1.164 -3.477 -1.766) 4.070 6.534 ( 1.164 3.477 -1.766) 4.070 6.637 ( -2.266 -0.423 4.334) 4.909 6.637 ( -2.266 0.423 4.334) 4.909 6.694 ( -2.698 -4.877 3.062) 6.359 6.694 ( -2.698 4.877 3.062) 6.359 6.871 ( 4.880 -4.185 -3.674) 7.404 6.871 ( 4.880 4.185 -3.674) 7.404 6.913 ( 0.990 -5.730 0.262) 5.821 6.913 ( 0.990 5.730 0.262) 5.821 7.009 ( 7.034 -3.375 0.032) 7.802 7.009 ( 7.034 3.375 0.032) 7.802 7.140 ( 2.543 -4.606 3.426) 6.279 7.140 ( 2.543 4.606 3.426) 6.279 7.274 ( 7.843 -7.088 -1.222) 10.641 7.274 ( 7.843 7.088 -1.222) 10.641 7.374 ( 7.209 -2.094 -0.437) 7.520 7.374 ( 7.209 2.094 -0.437) 7.520 7.450 ( 4.512 -6.723 2.286) 8.413 7.450 ( 4.512 6.723 2.286) 8.413 7.593 ( 1.206 -6.468 -2.273) 6.961 7.593 ( 1.206 6.468 -2.273) 6.961 7.663 ( -1.711 -5.442 -3.818) 6.864 7.663 ( -1.711 5.442 -3.818) 6.864 7.745 ( 2.159 -3.263 -0.447) 3.938 7.745 ( 2.159 3.263 -0.447) 3.938 7.915 ( -4.351 -1.100 -0.713) 4.544 7.915 ( -4.351 1.100 -0.713) 4.544 8.100 ( 3.677 -2.516 2.019) 4.891 8.100 ( 3.677 2.516 2.019) 4.891 8.272 ( 0.163 -1.439 -4.132) 4.378 8.272 ( 0.163 1.439 -4.132) 4.378 8.354 ( 4.217 -4.543 -2.974) 6.875 8.354 ( 4.217 4.543 -2.974) 6.875 8.405 ( 1.418 -2.111 -1.352) 2.881 8.405 ( 1.418 2.111 -1.352) 2.881 8.492 ( 0.154 -3.750 0.201) 3.758 8.492 ( 0.154 3.750 0.201) 3.758 8.657 ( 5.116 -7.433 1.388) 9.130 8.657 ( 5.116 7.433 1.388) 9.130 8.861 ( 1.497 -5.278 -3.061) 6.282 8.861 ( 1.497 5.278 -3.061) 6.282 8.921 ( 2.005 -6.153 1.154) 6.574 8.921 ( 2.005 6.153 1.154) 6.574 8.998 ( -0.094 -4.136 -1.185) 4.303 8.998 ( -0.094 4.136 -1.185) 4.303 9.295 ( 1.895 -6.775 -2.186) 7.367 9.295 ( 1.895 6.775 -2.186) 7.367 9.463 ( -0.569 -7.080 2.740) 7.613 9.463 ( -0.569 7.080 2.740) 7.613 9.716 ( 0.826 -3.837 -1.543) 4.217 9.716 ( 0.826 3.837 -1.543) 4.217 9.842 ( 4.169 -6.215 0.713) 7.518 9.842 ( 4.169 6.215 0.713) 7.518 9.908 ( -0.720 -4.224 -1.767) 4.635 9.908 ( -0.720 4.224 -1.767) 4.635 10.156 ( 2.856 -4.318 1.425) 5.370 10.156 ( 2.856 4.318 1.425) 5.370 10.304 ( 4.700 -8.648 0.259) 9.846 10.304 ( 4.700 8.648 0.259) 9.846 10.624 ( 16.791 -2.126 -3.615) 17.307 10.624 ( 16.791 2.126 -3.615) 17.307 11.703 ( 3.330 -1.323 1.212) 3.782 11.703 ( 3.330 1.323 1.212) 3.782 11.801 ( 10.902 -1.447 1.210) 11.064 11.801 ( 10.902 1.447 1.210) 11.064 12.053 ( 5.463 -10.534 1.356) 11.943 12.053 ( 5.463 10.534 1.356) 11.943 12.483 ( -0.878 -8.227 0.026) 8.273 12.483 ( -0.878 8.227 0.026) 8.273 12.608 ( -3.352 -5.514 -3.069) 7.146 12.608 ( -3.352 5.514 -3.069) 7.146 12.845 ( -1.733 -6.659 -5.122) 8.578 12.845 ( -1.733 6.659 -5.122) 8.578 13.229 ( -3.272 -3.219 -0.626) 4.632 13.229 ( -3.272 3.219 -0.626) 4.632 13.315 ( -6.172 -3.761 -3.408) 7.991 13.315 ( -6.172 3.761 -3.408) 7.991 13.508 ( -2.354 -2.558 4.988) 6.079 13.508 ( -2.354 2.558 4.988) 6.079 14.734 ( -0.489 -5.249 -4.193) 6.736 14.734 ( -0.489 5.249 -4.193) 6.736 15.513 ( -2.174 -1.054 -3.869) 4.562 15.513 ( -2.174 1.054 -3.869) 4.562 16.103 ( 0.697 -5.681 -2.470) 6.233 16.103 ( 0.697 5.681 -2.470) 6.233 20.637 ( -1.446 -3.364 -0.341) 3.677 20.637 ( -1.446 3.364 -0.341) 3.677 20.802 ( 1.187 -3.538 -2.098) 4.281 20.802 ( 1.187 3.538 -2.098) 4.281 21.626 ( -6.510 -0.532 -1.725) 6.756 21.626 ( -6.510 0.532 -1.725) 6.756 21.867 ( -3.814 -3.521 -1.625) 5.439 21.867 ( -3.814 3.521 -1.625) 5.439 22.012 ( -6.854 -0.487 -8.255) 10.741 22.012 ( -6.854 0.487 -8.255) 10.741 22.100 ( -1.857 -0.836 3.030) 3.651 22.100 ( -1.857 0.836 3.030) 3.651 22.176 ( -3.618 -1.962 0.832) 4.199 22.176 ( -3.618 1.962 0.832) 4.199 22.379 ( -5.106 -7.367 -0.328) 8.969 22.379 ( -5.106 7.367 -0.328) 8.969 22.895 ( -1.300 -0.407 2.993) 3.288 22.895 ( -1.300 0.407 2.993) 3.288 23.247 ( 5.553 -9.402 18.311) 21.320 23.247 ( 5.553 9.402 18.311) 21.320 24.393 ( 12.331 -16.698 -4.808) 21.308 24.393 ( 12.331 16.698 -4.808) 21.308 25.038 ( 8.722 -9.751 -6.352) 14.543 25.038 ( 8.722 9.751 -6.352) 14.543 25.676 ( -0.532 -1.274 -7.929) 8.048 25.676 ( -0.532 1.274 -7.929) 8.048 ======================= Grid point 94 (52/104) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -31.811 -18.620 9.537) 38.074 1.270 ( -31.811 18.620 9.537) 38.074 1.358 ( -2.910 -8.468 15.496) 17.897 1.358 ( -2.910 8.468 15.496) 17.897 1.586 ( -3.406 -4.814 10.054) 11.656 1.586 ( -3.406 4.814 10.054) 11.656 1.957 ( -3.834 -14.631 26.188) 30.242 1.957 ( -3.834 14.631 26.188) 30.242 2.102 ( -15.717 -10.568 4.865) 19.555 2.102 ( -15.717 10.568 4.865) 19.555 2.254 ( -6.435 -10.701 8.814) 15.284 2.254 ( -6.435 10.701 8.814) 15.284 2.433 ( -6.622 -3.135 -5.516) 9.171 2.433 ( -6.622 3.135 -5.516) 9.171 2.579 ( -9.887 -0.422 -9.563) 13.762 2.579 ( -9.887 0.422 -9.563) 13.762 2.867 ( -6.683 -17.162 2.310) 18.562 2.867 ( -6.683 17.162 2.310) 18.562 2.974 ( 0.794 -10.755 2.472) 11.064 2.974 ( 0.794 10.755 2.472) 11.064 3.134 ( -0.494 -2.516 -0.921) 2.725 3.134 ( -0.494 2.516 -0.921) 2.725 3.328 ( 6.502 -7.184 -2.320) 9.963 3.328 ( 6.502 7.184 -2.320) 9.963 3.411 ( 0.935 -3.470 1.453) 3.876 3.411 ( 0.935 3.470 1.453) 3.876 3.494 ( 0.269 -5.238 -5.096) 7.313 3.494 ( 0.269 5.238 -5.096) 7.313 3.774 ( 1.197 -1.842 -5.937) 6.331 3.774 ( 1.197 1.842 -5.937) 6.331 3.846 ( -6.064 -3.443 0.376) 6.983 3.846 ( -6.064 3.443 0.376) 6.983 3.974 ( -0.040 -2.330 3.432) 4.148 3.974 ( -0.040 2.330 3.432) 4.148 4.030 ( -0.353 -5.452 0.956) 5.546 4.030 ( -0.353 5.452 0.956) 5.546 4.087 ( -3.972 -3.955 2.673) 6.210 4.087 ( -3.972 3.955 2.673) 6.210 4.238 ( -7.424 -1.637 -6.111) 9.754 4.238 ( -7.424 1.637 -6.111) 9.754 4.449 ( -1.709 -2.728 1.903) 3.739 4.449 ( -1.709 2.728 1.903) 3.739 4.514 ( -6.734 -1.898 1.294) 7.115 4.514 ( -6.734 1.898 1.294) 7.115 4.638 ( -2.827 -3.587 5.932) 7.486 4.638 ( -2.827 3.587 5.932) 7.486 4.688 ( -5.213 -2.918 2.331) 6.413 4.688 ( -5.213 2.918 2.331) 6.413 4.893 ( -5.964 -4.369 -0.890) 7.447 4.893 ( -5.964 4.369 -0.890) 7.447 4.917 ( -0.216 -4.269 -1.247) 4.452 4.917 ( -0.216 4.269 -1.247) 4.452 5.129 ( -10.381 -3.493 3.548) 11.513 5.129 ( -10.381 3.493 3.548) 11.513 5.242 ( -1.293 -8.497 3.914) 9.444 5.242 ( -1.293 8.497 3.914) 9.444 5.348 ( -4.583 -8.089 3.200) 9.833 5.348 ( -4.583 8.089 3.200) 9.833 5.423 ( 1.241 -9.119 -0.997) 9.257 5.423 ( 1.241 9.119 -0.997) 9.257 5.568 ( -0.572 -0.836 -1.283) 1.634 5.568 ( -0.572 0.836 -1.283) 1.634 5.689 ( -2.957 -3.098 -3.258) 5.381 5.689 ( -2.957 3.098 -3.258) 5.381 5.822 ( 2.938 -4.933 -0.398) 5.755 5.822 ( 2.938 4.933 -0.398) 5.755 6.054 ( 1.037 -9.012 -2.422) 9.389 6.054 ( 1.037 9.012 -2.422) 9.389 6.124 ( -2.017 -10.556 -3.669) 11.356 6.124 ( -2.017 10.556 -3.669) 11.356 6.273 ( 3.032 -4.780 3.593) 6.705 6.273 ( 3.032 4.780 3.593) 6.705 6.422 ( -2.333 -5.700 -2.357) 6.595 6.422 ( -2.333 5.700 -2.357) 6.595 6.571 ( 5.359 -3.807 -2.763) 7.131 6.571 ( 5.359 3.807 -2.763) 7.131 6.630 ( -2.515 -1.832 0.445) 3.144 6.630 ( -2.515 1.832 0.445) 3.144 6.692 ( -1.336 -0.876 4.674) 4.940 6.692 ( -1.336 0.876 4.674) 4.940 6.835 ( 0.666 -5.310 -4.700) 7.123 6.835 ( 0.666 5.310 -4.700) 7.123 6.964 ( 1.818 -5.560 0.350) 5.860 6.964 ( 1.818 5.560 0.350) 5.860 7.107 ( 2.703 -7.379 -2.410) 8.220 7.107 ( 2.703 7.379 -2.410) 8.220 7.195 ( 2.245 -5.625 1.702) 6.291 7.195 ( 2.245 5.625 1.702) 6.291 7.305 ( 1.091 -1.030 -0.646) 1.633 7.305 ( 1.091 1.030 -0.646) 1.633 7.441 ( -2.589 -3.989 -3.557) 5.939 7.441 ( -2.589 3.989 -3.557) 5.939 7.502 ( 0.326 -4.531 -6.476) 7.911 7.502 ( 0.326 4.531 -6.476) 7.911 7.568 ( 0.448 -5.009 -4.465) 6.725 7.568 ( 0.448 5.009 -4.465) 6.725 7.601 ( 2.736 -2.522 -0.179) 3.725 7.601 ( 2.736 2.522 -0.179) 3.725 7.777 ( -0.365 -7.473 -0.368) 7.491 7.777 ( -0.365 7.473 -0.368) 7.491 7.841 ( -3.537 -9.718 0.500) 10.354 7.841 ( -3.537 9.718 0.500) 10.354 8.147 ( -0.601 -4.007 0.979) 4.168 8.147 ( -0.601 4.007 0.979) 4.168 8.169 ( -2.796 -1.347 -5.877) 6.646 8.169 ( -2.796 1.347 -5.877) 6.646 8.322 ( 0.578 -4.623 -3.221) 5.664 8.322 ( 0.578 4.623 -3.221) 5.664 8.449 ( 0.742 -10.499 -0.849) 10.560 8.449 ( 0.742 10.499 -0.849) 10.560 8.571 ( 5.712 -3.440 2.526) 7.130 8.571 ( 5.712 3.440 2.526) 7.130 8.712 ( 2.650 -9.006 0.234) 9.391 8.712 ( 2.650 9.006 0.234) 9.391 8.849 ( 1.982 -6.055 -1.985) 6.673 8.849 ( 1.982 6.055 -1.985) 6.673 8.987 ( 0.481 -4.309 -3.543) 5.600 8.987 ( 0.481 4.309 -3.543) 5.600 9.002 ( 2.305 -3.788 5.167) 6.808 9.002 ( 2.305 3.788 5.167) 6.808 9.323 ( 1.766 -6.672 -1.299) 7.023 9.323 ( 1.766 6.672 -1.299) 7.023 9.513 ( 1.196 -3.897 4.037) 5.737 9.513 ( 1.196 3.897 4.037) 5.737 9.672 ( -2.065 -5.709 -5.409) 8.131 9.672 ( -2.065 5.709 -5.409) 8.131 9.855 ( -2.399 -3.474 2.003) 4.673 9.855 ( -2.399 3.474 2.003) 4.673 9.963 ( 4.747 -8.297 3.962) 10.348 9.963 ( 4.747 8.297 3.962) 10.348 10.237 ( 3.351 -2.783 5.156) 6.750 10.237 ( 3.351 2.783 5.156) 6.750 10.392 ( 4.484 -12.937 0.906) 13.722 10.392 ( 4.484 12.937 0.906) 13.722 10.831 ( 10.557 -5.810 -3.739) 12.617 10.831 ( 10.557 5.810 -3.739) 12.617 11.713 ( -1.349 -3.290 -0.121) 3.558 11.713 ( -1.349 3.290 -0.121) 3.558 11.989 ( 9.472 -9.737 -2.445) 13.803 11.989 ( 9.472 9.737 -2.445) 13.803 12.187 ( 8.246 -1.550 -2.301) 8.700 12.187 ( 8.246 1.550 -2.301) 8.700 12.421 ( -4.999 -9.025 -4.404) 11.217 12.421 ( -4.999 9.025 -4.404) 11.217 12.532 ( -0.118 -0.931 -0.127) 0.947 12.532 ( -0.118 0.931 -0.127) 0.947 12.730 ( -3.733 -3.304 -7.600) 9.089 12.730 ( -3.733 3.304 -7.600) 9.089 13.061 ( -9.735 -0.906 -8.434) 12.912 13.061 ( -9.735 0.906 -8.434) 12.912 13.201 ( -2.297 -6.360 -3.062) 7.423 13.201 ( -2.297 6.360 -3.062) 7.423 13.511 ( -2.119 -5.271 -0.417) 5.696 13.511 ( -2.119 5.271 -0.417) 5.696 14.658 ( -1.607 -7.042 -7.488) 10.404 14.658 ( -1.607 7.042 -7.488) 10.404 15.419 ( -2.785 -1.197 -5.965) 6.691 15.419 ( -2.785 1.197 -5.965) 6.691 16.070 ( -0.747 -4.493 -3.685) 5.859 16.070 ( -0.747 4.493 -3.685) 5.859 20.607 ( -1.117 -3.712 -1.616) 4.200 20.607 ( -1.117 3.712 -1.616) 4.200 20.766 ( -1.560 -2.887 -3.657) 4.914 20.766 ( -1.560 2.887 -3.657) 4.914 21.525 ( -3.857 -0.754 0.648) 3.983 21.525 ( -3.857 0.754 0.648) 3.983 21.773 ( -4.609 -1.351 -1.456) 5.019 21.773 ( -4.609 1.351 -1.456) 5.019 21.802 ( -7.767 -1.031 -4.639) 9.105 21.802 ( -7.767 1.031 -4.639) 9.105 22.125 ( 0.010 -0.970 4.249) 4.358 22.125 ( 0.010 0.970 4.249) 4.358 22.182 ( 0.438 -1.423 5.907) 6.092 22.182 ( 0.438 1.423 5.907) 6.092 22.390 ( 0.928 -4.703 7.838) 9.187 22.390 ( 0.928 4.703 7.838) 9.187 22.919 ( -0.166 -0.487 4.853) 4.880 22.919 ( -0.166 0.487 4.853) 4.880 23.566 ( 9.165 -19.203 16.071) 26.665 23.566 ( 9.165 19.203 16.071) 26.665 24.555 ( 14.871 -17.398 -11.921) 25.806 24.555 ( 14.871 17.398 -11.921) 25.806 25.076 ( 4.643 -7.697 -9.953) 13.411 25.076 ( 4.643 7.697 -9.953) 13.411 25.514 ( -7.551 -1.736 -8.665) 11.624 25.514 ( -7.551 1.736 -8.665) 11.624 ======================= Grid point 96 (53/104) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -11.342 0.000 -0.104) 11.342 1.259 ( 7.687 0.000 -12.453) 14.634 1.371 ( -0.662 0.000 -7.351) 7.381 1.461 ( 11.915 0.000 4.459) 12.722 1.572 ( -2.472 0.000 -14.668) 14.874 1.672 ( 0.426 0.000 -13.677) 13.683 1.718 ( -2.410 0.000 16.872) 17.043 1.999 ( 0.970 0.000 -3.118) 3.265 2.057 ( -0.093 0.000 1.957) 1.959 2.347 ( 3.468 0.000 0.179) 3.473 2.413 ( 5.170 0.000 2.006) 5.546 2.512 ( 1.006 0.000 -1.422) 1.742 2.702 ( 3.860 0.000 15.395) 15.871 2.706 ( -2.321 0.000 8.661) 8.966 2.745 ( 0.526 0.000 10.838) 10.851 2.910 ( 0.088 0.000 -5.940) 5.940 3.014 ( 1.247 0.000 -0.206) 1.263 3.051 ( -3.713 0.000 9.742) 10.426 3.210 ( 5.651 0.000 5.554) 7.923 3.231 ( 6.770 0.000 13.446) 15.054 3.251 ( 0.478 0.000 13.905) 13.913 3.295 ( 5.345 0.000 13.036) 14.090 3.304 ( -3.471 0.000 9.141) 9.778 3.330 ( 0.678 0.000 0.753) 1.013 3.465 ( 3.842 0.000 6.168) 7.267 3.473 ( 2.772 0.000 4.452) 5.245 3.540 ( 0.527 0.000 1.902) 1.974 3.581 ( 2.794 0.000 0.624) 2.863 3.648 ( -1.458 0.000 1.686) 2.229 3.664 ( 6.725 0.000 0.474) 6.742 3.696 ( -8.751 0.000 2.425) 9.081 3.847 ( -5.218 0.000 0.923) 5.299 3.891 ( 1.129 0.000 -2.240) 2.509 3.916 ( 3.188 0.000 -1.914) 3.718 3.947 ( -0.333 0.000 3.610) 3.625 4.029 ( 0.719 0.000 -0.333) 0.792 4.116 ( -0.645 0.000 5.866) 5.902 4.122 ( 1.469 0.000 -3.157) 3.482 4.298 ( 0.295 0.000 3.635) 3.647 4.356 ( 11.709 0.000 2.121) 11.899 4.421 ( -6.494 0.000 1.319) 6.626 4.467 ( -0.240 0.000 3.418) 3.426 4.500 ( -1.892 0.000 3.303) 3.807 4.584 ( 1.146 0.000 5.069) 5.197 4.603 ( 5.945 0.000 -0.195) 5.949 4.626 ( -0.898 0.000 3.467) 3.582 4.707 ( -1.205 0.000 -2.171) 2.484 4.732 ( -0.300 0.000 -0.414) 0.511 4.808 ( -0.196 0.000 7.876) 7.879 4.832 ( -6.100 0.000 -4.275) 7.449 4.934 ( -1.441 0.000 11.047) 11.141 4.973 ( -0.691 0.000 9.917) 9.941 5.045 ( -3.581 0.000 2.342) 4.279 5.195 ( -9.152 0.000 -4.356) 10.135 5.202 ( -7.419 0.000 3.772) 8.323 5.271 ( 1.869 0.000 -1.616) 2.471 5.316 ( 0.765 0.000 2.070) 2.207 5.371 ( 3.485 0.000 7.498) 8.269 5.439 ( 1.347 0.000 -4.259) 4.467 5.465 ( -2.427 0.000 2.943) 3.814 5.540 ( -2.089 0.000 -2.365) 3.156 5.553 ( -0.708 0.000 1.919) 2.046 5.612 ( 1.808 0.000 0.417) 1.855 5.639 ( -0.466 0.000 2.128) 2.178 5.812 ( 1.955 0.000 -1.298) 2.346 5.838 ( -1.751 0.000 -4.857) 5.163 5.938 ( 3.573 0.000 -6.519) 7.434 5.970 ( 0.154 0.000 -8.027) 8.029 6.060 ( -0.710 0.000 -2.301) 2.408 6.108 ( 7.611 0.000 -6.022) 9.705 6.180 ( 3.498 0.000 3.805) 5.169 6.198 ( 0.643 0.000 -1.758) 1.872 6.285 ( -1.915 0.000 3.220) 3.747 6.302 ( -4.729 0.000 -7.466) 8.838 6.497 ( 2.171 0.000 -11.696) 11.895 6.570 ( -1.648 0.000 -2.198) 2.747 6.586 ( -1.681 0.000 -8.875) 9.033 6.682 ( -2.872 0.000 -3.938) 4.874 6.709 ( 1.678 0.000 -6.924) 7.125 6.755 ( -6.650 0.000 -2.580) 7.133 6.783 ( -3.643 0.000 -1.112) 3.809 6.821 ( -0.653 0.000 -1.217) 1.382 6.898 ( -5.715 0.000 -0.797) 5.771 6.943 ( -7.528 0.000 -8.504) 11.358 6.949 ( -0.253 0.000 0.222) 0.337 6.969 ( -9.107 0.000 -7.227) 11.626 7.017 ( -4.707 0.000 -9.377) 10.492 7.098 ( -1.517 0.000 -0.416) 1.573 7.124 ( 1.627 0.000 7.435) 7.611 7.216 ( 5.642 0.000 0.375) 5.655 7.251 ( -3.726 0.000 0.434) 3.751 7.350 ( 1.878 0.000 3.253) 3.756 7.386 ( 2.615 0.000 -0.848) 2.749 7.433 ( -1.756 0.000 3.847) 4.229 7.526 ( 3.434 0.000 8.803) 9.449 7.553 ( -2.254 0.000 2.134) 3.104 7.582 ( -2.184 0.000 0.295) 2.204 7.730 ( 5.433 0.000 3.385) 6.402 7.780 ( 5.235 0.000 5.737) 7.766 7.798 ( 6.742 0.000 2.138) 7.073 7.900 ( -0.040 0.000 -0.033) 0.051 7.908 ( -2.913 0.000 -2.480) 3.826 8.023 ( -7.692 0.000 -5.192) 9.280 8.125 ( -2.256 0.000 -4.061) 4.645 8.159 ( -1.125 0.000 1.745) 2.076 8.207 ( -1.333 0.000 4.865) 5.044 8.232 ( -2.152 0.000 0.179) 2.159 8.285 ( 2.129 0.000 -2.153) 3.027 8.410 ( -0.044 0.000 0.017) 0.048 8.486 ( 0.035 0.000 -9.011) 9.011 8.557 ( -1.327 0.000 -1.994) 2.395 8.618 ( -2.040 0.000 -1.441) 2.497 8.676 ( 0.958 0.000 -3.595) 3.720 8.728 ( 6.007 0.000 -4.837) 7.713 8.783 ( -4.821 0.000 -4.980) 6.932 8.803 ( -3.036 0.000 -9.543) 10.014 8.892 ( 0.479 0.000 -7.383) 7.398 8.920 ( -4.156 0.000 -12.068) 12.764 9.116 ( -3.651 0.000 -1.939) 4.134 9.150 ( 0.163 0.000 -0.547) 0.571 9.194 ( 0.365 0.000 -3.089) 3.110 9.268 ( 9.503 0.000 -6.291) 11.397 9.362 ( 1.292 0.000 0.720) 1.479 9.404 ( -1.285 0.000 -1.343) 1.858 9.445 ( 1.311 0.000 1.142) 1.739 9.544 ( 2.987 0.000 -4.220) 5.170 9.844 ( -0.847 0.000 -1.545) 1.762 9.988 ( 2.875 0.000 -2.896) 4.081 10.002 ( -2.005 0.000 -1.377) 2.432 10.144 ( 3.704 0.000 5.352) 6.509 10.270 ( 1.111 0.000 -0.593) 1.260 10.452 ( -1.955 0.000 -1.983) 2.785 10.485 ( -0.725 0.000 6.031) 6.074 10.559 ( 2.153 0.000 5.876) 6.258 10.784 ( 0.473 0.000 -0.506) 0.692 10.863 ( -1.881 0.000 -4.249) 4.646 11.657 ( 0.396 0.000 0.834) 0.923 11.675 ( -0.956 0.000 0.034) 0.956 11.973 ( -5.355 0.000 3.221) 6.249 12.064 ( -10.239 0.000 -1.182) 10.307 12.087 ( 4.257 0.000 -0.399) 4.275 12.207 ( 4.845 0.000 -3.660) 6.072 12.309 ( 3.580 0.000 0.561) 3.624 12.361 ( -7.775 0.000 -2.720) 8.237 12.433 ( -10.033 0.000 -0.793) 10.064 12.501 ( 0.026 0.000 -6.063) 6.063 12.538 ( 3.113 0.000 -4.912) 5.816 12.560 ( 3.161 0.000 -2.010) 3.745 12.741 ( -1.745 0.000 -3.012) 3.481 12.761 ( 6.846 0.000 -5.838) 8.997 13.063 ( -2.867 0.000 -5.682) 6.364 13.063 ( 3.912 0.000 -4.380) 5.873 13.316 ( -2.773 0.000 -3.575) 4.524 13.378 ( -4.838 0.000 -5.134) 7.054 14.356 ( -1.319 0.000 -3.069) 3.340 14.507 ( -1.201 0.000 -6.827) 6.932 15.178 ( -0.684 0.000 -5.064) 5.110 15.248 ( -0.050 0.000 -5.229) 5.230 15.919 ( 0.959 0.000 -3.292) 3.429 15.974 ( -1.000 0.000 -4.221) 4.337 20.538 ( -1.221 0.000 0.215) 1.240 20.589 ( -1.195 0.000 -0.950) 1.527 20.625 ( -1.044 0.000 -1.002) 1.447 20.691 ( -1.624 0.000 -1.880) 2.484 21.530 ( -0.818 0.000 2.468) 2.601 21.567 ( 0.297 0.000 1.641) 1.668 21.688 ( -2.553 0.000 1.035) 2.755 21.708 ( -0.846 0.000 0.661) 1.073 21.727 ( 0.191 0.000 1.278) 1.292 21.747 ( -1.877 0.000 1.192) 2.224 22.275 ( 0.769 0.000 4.461) 4.527 22.281 ( 0.983 0.000 4.711) 4.813 22.379 ( 1.614 0.000 5.510) 5.741 22.421 ( 1.314 0.000 6.928) 7.051 22.598 ( 5.724 0.000 2.869) 6.403 22.644 ( 4.744 0.000 3.025) 5.626 23.072 ( 1.352 0.000 4.557) 4.754 23.102 ( 1.575 0.000 4.653) 4.912 23.719 ( 1.752 0.000 1.273) 2.166 24.003 ( 2.786 0.000 -12.542) 12.848 24.093 ( -0.783 0.000 -4.135) 4.208 24.312 ( 2.131 0.000 -14.567) 14.722 24.773 ( 1.061 0.000 -7.931) 8.002 24.885 ( -0.237 0.000 -9.403) 9.406 25.268 ( 0.580 0.000 -1.910) 1.997 25.345 ( -0.448 0.000 -3.804) 3.830 ======================= Grid point 97 (54/104) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 27.375 0.000 7.842) 28.476 1.341 ( 16.853 0.000 -15.483) 22.885 1.467 ( 13.477 0.000 -20.490) 24.525 1.530 ( 27.596 0.000 -8.907) 28.998 1.718 ( 19.041 0.000 -8.041) 20.669 1.739 ( 5.212 0.000 -3.278) 6.157 1.799 ( 7.263 0.000 3.111) 7.902 2.183 ( 9.089 0.000 2.401) 9.401 2.216 ( 16.708 0.000 4.549) 17.316 2.405 ( -1.375 0.000 -10.352) 10.443 2.447 ( 11.471 0.000 -0.170) 11.473 2.529 ( 4.907 0.000 -5.399) 7.296 2.738 ( 0.168 0.000 10.404) 10.405 2.803 ( -3.838 0.000 5.621) 6.806 2.905 ( 5.056 0.000 8.299) 9.718 2.909 ( -11.184 0.000 -0.792) 11.212 3.055 ( 15.873 0.000 6.073) 16.995 3.122 ( 8.447 0.000 0.624) 8.470 3.227 ( -4.153 0.000 -2.231) 4.714 3.326 ( -4.681 0.000 2.231) 5.186 3.331 ( 3.956 0.000 7.320) 8.320 3.375 ( 3.130 0.000 2.567) 4.048 3.447 ( -1.162 0.000 8.494) 8.573 3.463 ( -2.584 0.000 -0.676) 2.671 3.538 ( 4.453 0.000 8.320) 9.437 3.571 ( 4.773 0.000 6.362) 7.953 3.589 ( -4.944 0.000 6.743) 8.362 3.618 ( 7.689 0.000 9.369) 12.120 3.659 ( 4.160 0.000 6.660) 7.853 3.773 ( 3.968 0.000 8.920) 9.763 3.808 ( -1.383 0.000 2.906) 3.218 3.844 ( 3.560 0.000 4.424) 5.679 3.940 ( 8.431 0.000 1.580) 8.577 3.985 ( 5.724 0.000 0.734) 5.771 4.037 ( 12.097 0.000 -2.479) 12.348 4.153 ( 3.924 0.000 1.725) 4.287 4.168 ( 1.788 0.000 -1.018) 2.058 4.219 ( 14.940 0.000 -3.169) 15.272 4.321 ( -1.112 0.000 -0.267) 1.143 4.362 ( -0.358 0.000 -1.375) 1.421 4.488 ( -2.055 0.000 6.759) 7.064 4.503 ( 5.990 0.000 -1.352) 6.141 4.561 ( 10.345 0.000 -0.437) 10.354 4.655 ( 2.664 0.000 -1.005) 2.847 4.667 ( 4.381 0.000 -4.122) 6.015 4.703 ( 3.301 0.000 3.391) 4.732 4.757 ( 6.469 0.000 6.574) 9.223 4.772 ( 1.871 0.000 2.403) 3.045 4.776 ( 4.511 0.000 2.416) 5.117 4.905 ( 0.293 0.000 9.432) 9.437 4.996 ( -2.879 0.000 6.069) 6.717 5.055 ( -4.067 0.000 6.018) 7.263 5.057 ( 0.426 0.000 3.563) 3.589 5.117 ( 0.813 0.000 9.399) 9.434 5.127 ( -3.679 0.000 7.437) 8.297 5.273 ( -5.311 0.000 -1.014) 5.407 5.284 ( 1.679 0.000 -0.899) 1.905 5.411 ( 1.024 0.000 -2.528) 2.727 5.439 ( -2.555 0.000 2.971) 3.918 5.466 ( 0.676 0.000 -0.035) 0.677 5.535 ( -1.234 0.000 -0.530) 1.343 5.614 ( 6.383 0.000 4.645) 7.894 5.661 ( 2.420 0.000 2.186) 3.261 5.691 ( -0.747 0.000 -7.552) 7.588 5.714 ( 1.575 0.000 5.668) 5.883 5.867 ( 1.975 0.000 -0.765) 2.119 5.878 ( -1.587 0.000 -7.342) 7.512 5.967 ( 2.056 0.000 0.967) 2.272 6.022 ( -6.390 0.000 -9.624) 11.553 6.051 ( 0.727 0.000 -4.864) 4.918 6.201 ( -1.040 0.000 -0.197) 1.059 6.213 ( -2.904 0.000 -0.746) 2.998 6.252 ( 3.988 0.000 -5.358) 6.679 6.346 ( -3.825 0.000 3.228) 5.005 6.375 ( -2.773 0.000 -13.128) 13.417 6.375 ( -3.120 0.000 -3.586) 4.753 6.430 ( -7.409 0.000 -6.685) 9.979 6.497 ( -11.716 0.000 -7.621) 13.977 6.554 ( -7.583 0.000 -3.632) 8.408 6.620 ( -1.992 0.000 -2.866) 3.491 6.718 ( -0.813 0.000 5.005) 5.071 6.727 ( -5.432 0.000 -8.583) 10.158 6.814 ( -4.542 0.000 0.536) 4.573 6.853 ( -1.930 0.000 2.734) 3.346 6.892 ( 4.237 0.000 2.951) 5.164 6.894 ( -0.102 0.000 -1.549) 1.553 7.007 ( 3.334 0.000 0.272) 3.345 7.162 ( 1.468 0.000 -4.066) 4.322 7.259 ( 0.865 0.000 7.253) 7.305 7.274 ( 8.171 0.000 8.831) 12.031 7.332 ( 3.976 0.000 -0.157) 3.979 7.352 ( -3.643 0.000 5.412) 6.524 7.467 ( 0.175 0.000 9.837) 9.838 7.481 ( 7.183 0.000 -6.324) 9.570 7.505 ( -5.446 0.000 -0.466) 5.466 7.572 ( 0.090 0.000 3.640) 3.641 7.664 ( 0.040 0.000 9.141) 9.141 7.799 ( -0.124 0.000 -6.218) 6.220 7.806 ( 0.252 0.000 -6.464) 6.469 7.808 ( -9.265 0.000 -5.488) 10.769 7.869 ( -0.003 0.000 2.289) 2.289 7.869 ( -1.516 0.000 -2.629) 3.035 7.953 ( 3.153 0.000 6.256) 7.005 8.104 ( -2.678 0.000 -4.449) 5.193 8.120 ( 2.916 0.000 2.578) 3.892 8.189 ( -0.589 0.000 -0.609) 0.847 8.210 ( 1.858 0.000 1.343) 2.293 8.274 ( -1.773 0.000 -3.843) 4.232 8.364 ( -3.010 0.000 -10.824) 11.235 8.388 ( -2.664 0.000 -0.823) 2.788 8.489 ( -2.597 0.000 -2.597) 3.673 8.570 ( -6.824 0.000 -4.882) 8.391 8.592 ( 0.246 0.000 -3.688) 3.696 8.622 ( -0.852 0.000 -4.525) 4.605 8.699 ( -4.193 0.000 -4.915) 6.460 8.741 ( 2.018 0.000 -9.430) 9.644 8.744 ( -3.927 0.000 -8.291) 9.173 8.867 ( 3.123 0.000 -1.633) 3.524 9.047 ( -2.188 0.000 -1.889) 2.890 9.089 ( 0.600 0.000 -8.713) 8.734 9.179 ( -2.830 0.000 -0.765) 2.932 9.237 ( -1.045 0.000 -6.180) 6.268 9.416 ( 1.769 0.000 2.839) 3.345 9.460 ( 2.288 0.000 -1.616) 2.801 9.484 ( -0.646 0.000 3.404) 3.465 9.562 ( 3.446 0.000 -3.039) 4.595 9.794 ( -2.916 0.000 -1.539) 3.297 9.934 ( -4.584 0.000 -0.184) 4.587 9.975 ( -0.515 0.000 -3.757) 3.792 10.207 ( -1.062 0.000 3.910) 4.052 10.269 ( -0.288 0.000 -1.297) 1.328 10.329 ( -7.651 0.000 -4.491) 8.872 10.489 ( -7.279 0.000 4.686) 8.657 10.599 ( -3.995 0.000 5.877) 7.106 10.732 ( -5.297 0.000 -0.861) 5.366 10.734 ( -7.326 0.000 -1.993) 7.592 11.665 ( -0.592 0.000 1.159) 1.301 11.686 ( 1.371 0.000 0.860) 1.619 11.869 ( -12.058 0.000 0.596) 12.072 11.911 ( -4.657 0.000 3.254) 5.681 12.153 ( -13.304 0.000 0.343) 13.308 12.206 ( 5.989 0.000 2.190) 6.377 12.219 ( -1.151 0.000 -1.976) 2.287 12.281 ( -3.401 0.000 -2.460) 4.197 12.339 ( 0.390 0.000 0.362) 0.532 12.437 ( 2.377 0.000 -6.276) 6.711 12.591 ( 0.738 0.000 -1.957) 2.091 12.616 ( 8.719 0.000 -2.772) 9.149 12.720 ( 1.761 0.000 -1.391) 2.244 12.896 ( 11.178 0.000 -2.237) 11.400 12.985 ( -0.865 0.000 -3.800) 3.897 13.123 ( 8.202 0.000 -6.155) 10.254 13.265 ( -0.242 0.000 -1.659) 1.676 13.272 ( -2.032 0.000 -4.368) 4.817 14.341 ( 2.006 0.000 -1.376) 2.432 14.446 ( 0.906 0.000 -4.966) 5.048 15.160 ( 3.157 0.000 -3.339) 4.595 15.233 ( 3.631 0.000 -4.388) 5.695 15.915 ( 1.678 0.000 -2.197) 2.764 15.928 ( 0.143 0.000 -3.888) 3.890 20.529 ( -0.321 0.000 0.854) 0.913 20.572 ( -0.194 0.000 -0.158) 0.250 20.610 ( -0.358 0.000 0.375) 0.518 20.655 ( -0.866 0.000 -1.006) 1.327 21.558 ( 1.622 0.000 1.765) 2.398 21.603 ( 2.013 0.000 1.571) 2.554 21.682 ( 0.421 0.000 1.284) 1.351 21.736 ( 2.728 0.000 1.383) 3.058 21.748 ( 0.472 0.000 1.415) 1.492 21.765 ( 2.559 0.000 1.400) 2.917 22.326 ( 0.992 0.000 3.047) 3.205 22.342 ( 1.760 0.000 3.296) 3.736 22.442 ( 0.688 0.000 3.457) 3.525 22.494 ( 0.355 0.000 5.035) 5.047 22.711 ( 6.153 0.000 -0.849) 6.211 22.742 ( 4.816 0.000 0.108) 4.817 23.129 ( 0.922 0.000 2.917) 3.059 23.161 ( 1.047 0.000 2.584) 2.788 23.709 ( -2.277 0.000 -1.283) 2.614 23.869 ( -4.272 0.000 -9.352) 10.281 24.037 ( -1.176 0.000 -3.739) 3.920 24.207 ( 0.005 0.000 -10.551) 10.551 24.714 ( -0.215 0.000 -4.924) 4.929 24.785 ( -1.600 0.000 -7.801) 7.963 25.291 ( 3.490 0.000 -1.963) 4.004 25.321 ( 1.510 0.000 -3.833) 4.120 ======================= Grid point 98 (55/104) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 23.367 0.000 -11.512) 26.049 1.571 ( 22.621 0.000 -11.216) 25.248 1.624 ( -10.186 0.000 6.142) 11.895 1.712 ( 26.697 0.000 -0.832) 26.710 1.967 ( 26.441 0.000 -8.258) 27.701 1.983 ( 20.732 0.000 -7.179) 21.940 2.021 ( 14.617 0.000 -9.748) 17.570 2.266 ( 6.331 0.000 -5.512) 8.394 2.277 ( 0.944 0.000 -5.847) 5.923 2.444 ( 2.790 0.000 -7.972) 8.446 2.626 ( 13.611 0.000 -3.173) 13.976 2.688 ( 8.383 0.000 0.184) 8.385 2.742 ( -0.603 0.000 7.962) 7.985 2.856 ( 4.387 0.000 5.721) 7.210 2.877 ( 3.694 0.000 4.164) 5.567 3.063 ( -5.143 0.000 -1.695) 5.415 3.088 ( 7.928 0.000 7.179) 10.696 3.148 ( -2.486 0.000 -2.770) 3.722 3.306 ( -5.129 0.000 -1.494) 5.342 3.393 ( 12.295 0.000 4.951) 13.254 3.410 ( -2.710 0.000 2.269) 3.534 3.459 ( 0.065 0.000 3.473) 3.474 3.503 ( 6.709 0.000 3.147) 7.411 3.584 ( 10.659 0.000 7.339) 12.941 3.622 ( 7.244 0.000 0.861) 7.295 3.680 ( 10.468 0.000 1.678) 10.601 3.733 ( 6.565 0.000 8.167) 10.478 3.801 ( 0.501 0.000 -0.162) 0.527 3.824 ( 3.739 0.000 9.228) 9.957 3.895 ( 11.167 0.000 2.457) 11.434 3.910 ( 5.214 0.000 9.670) 10.986 3.944 ( 6.314 0.000 6.712) 9.215 4.078 ( 2.217 0.000 0.688) 2.321 4.109 ( 5.091 0.000 7.066) 8.709 4.155 ( 3.749 0.000 -6.208) 7.252 4.167 ( 2.257 0.000 -0.682) 2.358 4.243 ( 8.499 0.000 -2.786) 8.944 4.311 ( 5.867 0.000 -2.941) 6.563 4.356 ( 0.929 0.000 -0.715) 1.172 4.420 ( 8.323 0.000 0.510) 8.339 4.569 ( 3.366 0.000 -1.431) 3.657 4.576 ( 7.908 0.000 -2.626) 8.333 4.682 ( 2.414 0.000 2.241) 3.294 4.751 ( 11.830 0.000 -3.901) 12.456 4.752 ( 7.708 0.000 -1.766) 7.908 4.824 ( 1.033 0.000 2.218) 2.447 4.856 ( 1.068 0.000 9.453) 9.514 4.870 ( 4.521 0.000 4.099) 6.103 4.937 ( 7.394 0.000 3.621) 8.233 4.976 ( -2.318 0.000 -2.285) 3.255 4.999 ( 5.291 0.000 2.163) 5.716 5.083 ( 3.449 0.000 8.194) 8.890 5.095 ( 0.414 0.000 -0.399) 0.575 5.163 ( -4.435 0.000 9.140) 10.159 5.214 ( -0.807 0.000 4.587) 4.657 5.218 ( 0.868 0.000 6.712) 6.768 5.312 ( 2.565 0.000 -2.433) 3.536 5.406 ( -5.222 0.000 -3.515) 6.295 5.441 ( -2.081 0.000 4.614) 5.061 5.455 ( 3.751 0.000 1.291) 3.967 5.527 ( 0.635 0.000 -2.235) 2.323 5.653 ( 8.378 0.000 -4.899) 9.706 5.684 ( 5.482 0.000 -5.983) 8.115 5.713 ( -3.303 0.000 2.060) 3.893 5.765 ( -0.440 0.000 -5.600) 5.617 5.820 ( -0.113 0.000 1.933) 1.936 5.867 ( -8.641 0.000 -1.193) 8.723 5.893 ( -5.593 0.000 0.910) 5.666 5.898 ( -8.314 0.000 -0.644) 8.338 5.908 ( 0.001 0.000 -4.524) 4.524 6.102 ( -7.101 0.000 -5.647) 9.073 6.130 ( -5.108 0.000 -8.377) 9.811 6.140 ( -4.568 0.000 -1.290) 4.747 6.238 ( -1.875 0.000 -4.883) 5.231 6.258 ( 0.083 0.000 -5.428) 5.428 6.379 ( 0.276 0.000 10.747) 10.751 6.391 ( 1.136 0.000 1.001) 1.514 6.462 ( 1.647 0.000 -7.575) 7.752 6.503 ( 3.808 0.000 9.539) 10.271 6.549 ( -3.985 0.000 -1.029) 4.116 6.640 ( 1.286 0.000 -1.884) 2.281 6.764 ( -2.842 0.000 2.615) 3.862 6.790 ( 1.290 0.000 5.840) 5.980 6.880 ( -1.506 0.000 5.509) 5.711 6.942 ( 5.686 0.000 3.042) 6.448 6.973 ( 2.240 0.000 0.125) 2.243 7.076 ( 5.487 0.000 -1.742) 5.757 7.143 ( 1.006 0.000 -2.278) 2.491 7.283 ( -5.195 0.000 -3.090) 6.044 7.307 ( -2.074 0.000 -5.449) 5.830 7.357 ( -2.329 0.000 -5.196) 5.694 7.405 ( 6.591 0.000 10.007) 11.983 7.407 ( -3.460 0.000 -3.511) 4.930 7.556 ( -1.218 0.000 1.353) 1.820 7.565 ( 5.457 0.000 5.102) 7.470 7.607 ( 0.104 0.000 2.833) 2.835 7.634 ( -5.069 0.000 -4.692) 6.908 7.690 ( -0.020 0.000 1.564) 1.564 7.775 ( 3.269 0.000 7.762) 8.422 7.784 ( -2.525 0.000 -1.602) 2.990 7.865 ( -1.878 0.000 0.828) 2.053 7.867 ( 2.825 0.000 5.987) 6.620 7.995 ( -2.913 0.000 -4.797) 5.612 8.020 ( -0.138 0.000 -2.345) 2.349 8.089 ( -3.765 0.000 0.253) 3.774 8.167 ( -3.016 0.000 -5.576) 6.339 8.247 ( -1.917 0.000 1.764) 2.606 8.275 ( -2.547 0.000 -0.391) 2.576 8.325 ( 5.778 0.000 4.500) 7.323 8.361 ( 3.760 0.000 -2.310) 4.413 8.394 ( -2.484 0.000 -8.914) 9.254 8.418 ( -5.721 0.000 -0.228) 5.726 8.577 ( -0.722 0.000 -1.444) 1.614 8.589 ( -1.101 0.000 -4.600) 4.730 8.598 ( -2.933 0.000 0.656) 3.006 8.640 ( -1.982 0.000 0.066) 1.983 8.721 ( 4.762 0.000 -4.878) 6.817 8.882 ( 0.690 0.000 -3.172) 3.246 9.007 ( -1.176 0.000 -0.428) 1.252 9.031 ( 2.044 0.000 -6.638) 6.946 9.090 ( -5.994 0.000 -1.182) 6.110 9.159 ( -2.507 0.000 -4.719) 5.344 9.410 ( -4.693 0.000 -1.536) 4.938 9.412 ( -0.976 0.000 -7.232) 7.298 9.484 ( -1.085 0.000 1.124) 1.562 9.572 ( -0.346 0.000 -2.257) 2.283 9.734 ( -2.784 0.000 -0.565) 2.841 9.873 ( -4.403 0.000 4.599) 6.367 9.907 ( -3.002 0.000 -3.650) 4.726 10.135 ( -9.121 0.000 -5.177) 10.487 10.190 ( -1.581 0.000 -3.192) 3.562 10.232 ( -4.763 0.000 2.751) 5.500 10.318 ( -14.416 0.000 1.380) 14.482 10.539 ( -7.591 0.000 3.471) 8.347 10.625 ( -6.149 0.000 1.082) 6.244 10.626 ( -6.434 0.000 0.052) 6.435 11.674 ( -8.308 0.000 0.198) 8.311 11.681 ( -0.056 0.000 2.604) 2.605 11.719 ( -2.793 0.000 3.498) 4.477 11.859 ( -5.543 0.000 1.006) 5.634 11.953 ( -11.563 0.000 4.591) 12.441 12.143 ( -4.050 0.000 -1.213) 4.228 12.273 ( -1.586 0.000 3.901) 4.211 12.281 ( 3.531 0.000 -1.284) 3.757 12.400 ( 7.326 0.000 -0.461) 7.340 12.463 ( 5.488 0.000 -3.528) 6.524 12.569 ( -0.629 0.000 -1.314) 1.456 12.679 ( 1.777 0.000 -0.968) 2.023 12.834 ( 10.546 0.000 0.717) 10.570 12.958 ( 1.339 0.000 -2.517) 2.851 13.052 ( 8.320 0.000 -0.404) 8.330 13.208 ( 9.058 0.000 -6.052) 10.894 13.234 ( 1.541 0.000 -2.510) 2.945 13.270 ( 0.671 0.000 1.248) 1.416 14.391 ( 4.474 0.000 -0.077) 4.474 14.448 ( 3.586 0.000 -2.619) 4.440 15.210 ( 5.109 0.000 -1.358) 5.286 15.281 ( 6.072 0.000 -2.915) 6.736 15.904 ( 0.838 0.000 -2.930) 3.047 15.932 ( 2.044 0.000 -0.889) 2.229 20.545 ( 0.617 0.000 1.778) 1.882 20.579 ( 0.666 0.000 0.603) 0.899 20.622 ( 0.561 0.000 1.687) 1.778 20.643 ( 0.037 0.000 -0.037) 0.053 21.613 ( 3.066 0.000 1.114) 3.262 21.659 ( 2.876 0.000 1.251) 3.136 21.720 ( 2.302 0.000 1.370) 2.679 21.785 ( 2.150 0.000 1.503) 2.623 21.817 ( 4.852 0.000 1.789) 5.171 21.835 ( 3.900 0.000 1.760) 4.279 22.366 ( 0.941 0.000 1.773) 2.007 22.402 ( 2.336 0.000 1.990) 3.068 22.463 ( -0.739 0.000 0.971) 1.220 22.526 ( -0.732 0.000 2.373) 2.483 22.777 ( 4.948 0.000 -5.155) 7.146 22.798 ( 3.837 0.000 -3.852) 5.437 23.151 ( -0.310 0.000 0.504) 0.592 23.179 ( -0.319 0.000 -0.155) 0.355 23.635 ( -4.108 0.000 -2.588) 4.855 23.711 ( -5.343 0.000 -6.564) 8.464 23.988 ( -0.844 0.000 -2.658) 2.789 24.124 ( -0.260 0.000 -5.967) 5.973 24.679 ( 0.056 0.000 -2.092) 2.093 24.695 ( -1.418 0.000 -5.185) 5.375 25.319 ( 2.174 0.000 -3.069) 3.761 25.336 ( 3.797 0.000 -1.618) 4.127 ======================= Grid point 99 (56/104) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -9.910 0.000 14.749) 17.769 1.708 ( 17.000 0.000 -9.568) 19.507 1.867 ( 20.593 0.000 -8.256) 22.186 2.011 ( 8.400 0.000 -5.813) 10.215 2.045 ( 4.826 0.000 -8.944) 10.163 2.183 ( 10.137 0.000 -5.979) 11.768 2.209 ( 10.120 0.000 -4.694) 11.156 2.311 ( 4.853 0.000 -8.874) 10.114 2.397 ( 7.254 0.000 -2.090) 7.549 2.404 ( 8.593 0.000 -0.599) 8.614 2.669 ( -3.888 0.000 4.066) 5.626 2.878 ( -1.164 0.000 -3.907) 4.077 2.879 ( 1.999 0.000 3.222) 3.792 2.942 ( 20.914 0.000 1.557) 20.972 3.046 ( 8.047 0.000 4.074) 9.019 3.102 ( 5.189 0.000 5.204) 7.349 3.159 ( 8.286 0.000 -3.146) 8.864 3.178 ( -3.745 0.000 -4.919) 6.182 3.268 ( 2.186 0.000 4.927) 5.390 3.369 ( -1.573 0.000 1.075) 1.905 3.491 ( 5.227 0.000 2.790) 5.925 3.509 ( -2.280 0.000 -2.251) 3.204 3.557 ( 5.678 0.000 0.039) 5.678 3.731 ( 1.887 0.000 2.945) 3.497 3.760 ( 1.548 0.000 -1.730) 2.322 3.817 ( 6.006 0.000 0.319) 6.015 3.888 ( 1.372 0.000 4.259) 4.474 3.968 ( 13.581 0.000 2.220) 13.761 3.976 ( 8.765 0.000 1.637) 8.917 4.040 ( 4.331 0.000 -1.003) 4.446 4.078 ( -3.824 0.000 5.845) 6.985 4.114 ( 7.936 0.000 -1.566) 8.089 4.122 ( 2.919 0.000 9.710) 10.140 4.134 ( 3.853 0.000 -1.242) 4.048 4.270 ( 11.000 0.000 -1.810) 11.148 4.270 ( 7.619 0.000 -3.060) 8.211 4.388 ( 8.361 0.000 1.488) 8.492 4.429 ( 10.982 0.000 -3.650) 11.572 4.431 ( 12.610 0.000 2.201) 12.801 4.537 ( 5.948 0.000 -3.973) 7.153 4.629 ( 1.573 0.000 -3.505) 3.842 4.643 ( 6.136 0.000 -3.038) 6.846 4.736 ( 1.127 0.000 2.807) 3.025 4.765 ( -0.642 0.000 -0.516) 0.824 4.832 ( 3.368 0.000 1.770) 3.805 4.835 ( -6.027 0.000 -1.342) 6.174 4.916 ( 3.231 0.000 -1.847) 3.722 4.953 ( -2.473 0.000 -2.101) 3.245 5.005 ( 5.837 0.000 9.146) 10.850 5.061 ( -3.269 0.000 4.049) 5.204 5.073 ( 3.553 0.000 2.733) 4.483 5.109 ( 2.535 0.000 1.859) 3.143 5.209 ( -2.456 0.000 3.480) 4.259 5.212 ( 2.852 0.000 -0.175) 2.857 5.248 ( -3.288 0.000 5.515) 6.421 5.263 ( 7.316 0.000 -1.473) 7.462 5.290 ( -3.265 0.000 -0.214) 3.272 5.327 ( -0.569 0.000 3.091) 3.143 5.478 ( 3.075 0.000 5.792) 6.558 5.488 ( -1.616 0.000 -7.153) 7.334 5.533 ( 3.732 0.000 4.615) 5.935 5.605 ( -6.143 0.000 -0.608) 6.173 5.621 ( -2.288 0.000 1.471) 2.720 5.714 ( -2.415 0.000 -0.135) 2.419 5.748 ( -7.085 0.000 0.170) 7.087 5.753 ( -4.373 0.000 -0.035) 4.373 5.825 ( 0.977 0.000 0.257) 1.010 5.878 ( -5.517 0.000 -6.140) 8.255 5.900 ( 1.007 0.000 2.283) 2.495 5.914 ( 12.825 0.000 2.057) 12.989 5.971 ( 8.870 0.000 4.793) 10.083 6.077 ( -0.869 0.000 -0.027) 0.869 6.089 ( -0.785 0.000 -9.181) 9.214 6.192 ( 7.018 0.000 -4.427) 8.298 6.217 ( 6.811 0.000 -3.208) 7.529 6.391 ( 0.869 0.000 -6.862) 6.916 6.403 ( -1.520 0.000 -5.586) 5.789 6.442 ( -3.554 0.000 2.513) 4.353 6.526 ( 1.150 0.000 -0.300) 1.188 6.633 ( -0.256 0.000 4.831) 4.838 6.695 ( 5.177 0.000 0.767) 5.233 6.735 ( -3.963 0.000 3.222) 5.108 6.860 ( -2.215 0.000 5.907) 6.309 6.953 ( 5.255 0.000 8.224) 9.760 6.977 ( -0.589 0.000 -0.821) 1.011 7.069 ( 3.635 0.000 0.517) 3.671 7.135 ( 2.601 0.000 -2.310) 3.479 7.144 ( 1.529 0.000 -2.434) 2.874 7.202 ( -4.678 0.000 -5.363) 7.116 7.239 ( 0.783 0.000 2.698) 2.810 7.249 ( 0.548 0.000 -2.514) 2.573 7.364 ( 0.489 0.000 0.379) 0.618 7.477 ( -4.702 0.000 -3.267) 5.725 7.522 ( -0.055 0.000 -3.665) 3.665 7.604 ( 0.126 0.000 3.979) 3.981 7.619 ( -0.747 0.000 -2.834) 2.931 7.694 ( -7.083 0.000 0.828) 7.131 7.704 ( 6.696 0.000 12.493) 14.175 7.775 ( 5.031 0.000 5.261) 7.279 7.836 ( -2.844 0.000 2.263) 3.635 7.894 ( -5.125 0.000 0.987) 5.219 7.904 ( -6.234 0.000 -1.669) 6.453 8.012 ( 2.651 0.000 8.374) 8.783 8.015 ( 2.738 0.000 13.361) 13.638 8.037 ( -1.300 0.000 0.477) 1.384 8.125 ( 1.448 0.000 -2.127) 2.573 8.166 ( -2.725 0.000 -7.927) 8.382 8.200 ( -3.666 0.000 -2.377) 4.369 8.303 ( -3.573 0.000 -0.534) 3.613 8.318 ( -0.953 0.000 -1.199) 1.532 8.376 ( -2.097 0.000 -2.562) 3.311 8.466 ( 4.800 0.000 3.290) 5.819 8.487 ( -7.680 0.000 -1.472) 7.820 8.533 ( -1.609 0.000 -3.191) 3.573 8.574 ( 1.840 0.000 0.268) 1.860 8.737 ( 5.581 0.000 6.274) 8.397 8.786 ( 4.180 0.000 -1.889) 4.587 8.850 ( -0.512 0.000 -1.830) 1.900 8.971 ( -6.300 0.000 0.578) 6.327 9.013 ( -1.166 0.000 4.303) 4.458 9.036 ( 4.538 0.000 -7.464) 8.735 9.056 ( -0.970 0.000 -7.294) 7.359 9.275 ( -6.081 0.000 -2.352) 6.520 9.342 ( 2.025 0.000 -7.569) 7.835 9.466 ( -1.132 0.000 -0.519) 1.246 9.501 ( -3.669 0.000 -5.004) 6.205 9.691 ( -2.740 0.000 1.776) 3.265 9.827 ( -2.883 0.000 -1.362) 3.188 9.866 ( -3.567 0.000 5.160) 6.273 9.958 ( -5.864 0.000 -3.191) 6.676 10.070 ( -7.232 0.000 -4.636) 8.590 10.106 ( -11.070 0.000 2.093) 11.266 10.195 ( -1.984 0.000 1.390) 2.422 10.448 ( -6.048 0.000 1.272) 6.180 10.500 ( -7.558 0.000 -2.006) 7.820 10.516 ( -7.585 0.000 -0.260) 7.590 11.546 ( -7.394 0.000 2.572) 7.828 11.663 ( -6.255 0.000 1.666) 6.473 11.722 ( -1.170 0.000 2.123) 2.424 11.770 ( -3.016 0.000 -0.851) 3.133 11.863 ( -6.090 0.000 7.124) 9.372 12.072 ( -2.812 0.000 -0.816) 2.928 12.290 ( -0.668 0.000 4.708) 4.756 12.358 ( 5.177 0.000 1.457) 5.378 12.514 ( 2.081 0.000 -1.683) 2.677 12.528 ( 6.952 0.000 1.124) 7.042 12.578 ( 3.311 0.000 0.605) 3.366 12.697 ( 0.570 0.000 0.788) 0.972 12.985 ( 3.237 0.000 0.383) 3.260 13.030 ( 10.485 0.000 2.499) 10.779 13.164 ( 4.242 0.000 1.825) 4.618 13.279 ( 5.414 0.000 -0.285) 5.422 13.285 ( 1.213 0.000 1.273) 1.758 13.337 ( 8.550 0.000 -0.812) 8.589 14.481 ( 5.374 0.000 0.995) 5.465 14.511 ( 5.419 0.000 -0.471) 5.439 15.295 ( 5.392 0.000 0.414) 5.408 15.371 ( 6.687 0.000 -1.328) 6.818 15.904 ( 1.762 0.000 -1.448) 2.281 15.962 ( 1.792 0.000 0.108) 1.795 20.582 ( 1.223 0.000 2.649) 2.918 20.603 ( 1.152 0.000 1.143) 1.623 20.654 ( 0.798 0.000 0.811) 1.138 20.657 ( 1.086 0.000 2.656) 2.870 21.676 ( 3.293 0.000 0.594) 3.346 21.719 ( 3.088 0.000 0.740) 3.176 21.778 ( 2.870 0.000 1.318) 3.158 21.843 ( 2.739 0.000 1.548) 3.146 21.923 ( 4.684 0.000 2.639) 5.376 21.926 ( 4.753 0.000 2.306) 5.283 22.384 ( -0.355 0.000 0.369) 0.512 22.437 ( -2.246 0.000 -1.092) 2.497 22.457 ( 2.525 0.000 0.713) 2.624 22.522 ( -0.693 0.000 -0.036) 0.694 22.774 ( 2.618 0.000 -8.951) 9.326 22.793 ( 2.387 0.000 -8.181) 8.522 23.127 ( -1.777 0.000 -1.670) 2.438 23.148 ( -1.884 0.000 -2.353) 3.015 23.527 ( -5.205 0.000 -3.594) 6.325 23.561 ( -5.735 0.000 -5.581) 8.002 23.963 ( 0.133 0.000 -1.251) 1.258 24.085 ( 0.581 0.000 -2.755) 2.816 24.647 ( 0.268 0.000 -2.575) 2.589 24.672 ( 0.444 0.000 -0.498) 0.667 25.341 ( 3.283 0.000 -1.482) 3.602 25.389 ( 3.940 0.000 -0.702) 4.002 ======================= Grid point 100 (57/104) ======================= q-point: (-0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -3.662 0.000 16.948) 17.339 1.798 ( 1.825 0.000 -4.927) 5.255 2.047 ( 6.631 0.000 -9.547) 11.624 2.060 ( 5.998 0.000 -2.137) 6.367 2.111 ( 11.810 0.000 -5.532) 13.042 2.260 ( 7.214 0.000 -3.140) 7.868 2.292 ( 7.148 0.000 -1.334) 7.272 2.352 ( 2.001 0.000 -2.268) 3.025 2.408 ( -3.082 0.000 -0.916) 3.215 2.475 ( 1.922 0.000 -0.335) 1.951 2.674 ( 1.321 0.000 3.995) 4.208 2.808 ( -0.542 0.000 -7.082) 7.102 2.910 ( -5.616 0.000 3.907) 6.841 3.017 ( -5.521 0.000 0.913) 5.596 3.070 ( -7.341 0.000 -0.851) 7.390 3.175 ( 0.638 0.000 4.362) 4.409 3.277 ( -1.757 0.000 0.745) 1.909 3.328 ( 8.930 0.000 -1.674) 9.086 3.340 ( 4.252 0.000 0.964) 4.360 3.418 ( 4.727 0.000 2.018) 5.140 3.495 ( 9.810 0.000 -2.378) 10.094 3.563 ( 6.649 0.000 -1.252) 6.766 3.710 ( 5.390 0.000 -0.697) 5.435 3.743 ( 2.750 0.000 0.297) 2.766 3.777 ( 1.816 0.000 0.991) 2.069 3.876 ( 4.507 0.000 -3.117) 5.480 3.959 ( -4.523 0.000 4.596) 6.449 3.991 ( 2.803 0.000 2.608) 3.829 4.033 ( -2.261 0.000 -4.064) 4.650 4.092 ( 3.233 0.000 -4.240) 5.332 4.144 ( -2.258 0.000 0.347) 2.285 4.184 ( 9.441 0.000 -2.020) 9.655 4.206 ( 8.923 0.000 0.874) 8.966 4.262 ( 1.397 0.000 1.078) 1.765 4.294 ( 1.815 0.000 -7.418) 7.637 4.408 ( 4.075 0.000 1.551) 4.360 4.480 ( -7.408 0.000 -6.176) 9.645 4.499 ( 1.031 0.000 -7.529) 7.600 4.543 ( -4.537 0.000 -4.003) 6.050 4.564 ( 8.748 0.000 -0.040) 8.748 4.634 ( 3.292 0.000 1.564) 3.645 4.655 ( -3.577 0.000 0.592) 3.626 4.729 ( -1.991 0.000 -0.645) 2.093 4.831 ( -0.830 0.000 3.742) 3.833 4.846 ( -0.388 0.000 -0.648) 0.755 4.850 ( 8.817 0.000 -3.759) 9.585 4.919 ( -0.996 0.000 -4.094) 4.213 4.922 ( 2.370 0.000 6.872) 7.270 4.972 ( -2.690 0.000 -4.420) 5.174 5.006 ( -5.014 0.000 2.646) 5.669 5.080 ( -4.014 0.000 -6.363) 7.523 5.133 ( -2.079 0.000 1.331) 2.469 5.178 ( -3.542 0.000 -1.260) 3.759 5.235 ( -1.350 0.000 1.820) 2.266 5.242 ( -1.455 0.000 0.736) 1.630 5.321 ( 4.374 0.000 0.490) 4.401 5.359 ( -4.565 0.000 -0.585) 4.602 5.380 ( 8.872 0.000 2.794) 9.302 5.500 ( 9.495 0.000 -2.228) 9.753 5.552 ( 1.238 0.000 2.131) 2.465 5.609 ( 0.930 0.000 4.040) 4.146 5.613 ( -0.437 0.000 4.818) 4.838 5.636 ( 1.981 0.000 2.139) 2.916 5.658 ( -2.679 0.000 0.075) 2.680 5.761 ( 5.118 0.000 5.419) 7.454 5.805 ( 4.463 0.000 8.742) 9.816 5.824 ( 7.998 0.000 5.609) 9.769 5.904 ( 11.357 0.000 3.996) 12.040 5.917 ( 1.184 0.000 5.658) 5.781 6.014 ( 4.157 0.000 -0.254) 4.165 6.073 ( -0.935 0.000 1.138) 1.473 6.221 ( 15.627 0.000 4.577) 16.283 6.249 ( -4.753 0.000 0.095) 4.754 6.259 ( 9.712 0.000 0.107) 9.713 6.310 ( -5.415 0.000 -1.406) 5.595 6.318 ( 0.171 0.000 -5.109) 5.112 6.363 ( 5.955 0.000 6.590) 8.882 6.405 ( 5.615 0.000 2.176) 6.021 6.547 ( 5.845 0.000 -8.858) 10.612 6.617 ( -1.389 0.000 1.066) 1.751 6.715 ( -2.417 0.000 1.786) 3.005 6.787 ( 3.382 0.000 2.977) 4.505 6.874 ( -2.022 0.000 6.797) 7.092 6.926 ( -4.939 0.000 -1.938) 5.305 7.027 ( -7.274 0.000 -0.107) 7.275 7.063 ( -6.610 0.000 -2.199) 6.966 7.109 ( 3.129 0.000 -0.642) 3.194 7.131 ( 5.212 0.000 -0.218) 5.217 7.183 ( 0.925 0.000 -0.814) 1.232 7.224 ( 0.122 0.000 -3.770) 3.772 7.328 ( 2.544 0.000 4.982) 5.594 7.400 ( -2.034 0.000 -1.899) 2.782 7.434 ( 0.758 0.000 2.292) 2.414 7.507 ( -8.240 0.000 0.814) 8.280 7.518 ( -1.245 0.000 1.016) 1.606 7.642 ( -0.385 0.000 0.753) 0.846 7.645 ( 1.009 0.000 -0.037) 1.010 7.670 ( -5.358 0.000 -1.922) 5.693 7.775 ( -9.666 0.000 1.137) 9.733 7.786 ( -1.339 0.000 -4.611) 4.802 7.890 ( -5.392 0.000 7.563) 9.288 7.912 ( 3.310 0.000 3.732) 4.989 8.010 ( -0.430 0.000 4.067) 4.089 8.019 ( -7.217 0.000 0.450) 7.231 8.114 ( 0.727 0.000 -4.589) 4.647 8.123 ( -1.457 0.000 1.727) 2.260 8.177 ( 3.026 0.000 1.502) 3.378 8.210 ( 3.000 0.000 9.778) 10.228 8.234 ( -3.293 0.000 -3.354) 4.701 8.302 ( -3.906 0.000 -0.548) 3.945 8.314 ( 1.690 0.000 -0.106) 1.693 8.373 ( -5.826 0.000 -3.052) 6.577 8.443 ( 2.273 0.000 1.908) 2.967 8.625 ( 4.371 0.000 2.269) 4.924 8.656 ( 6.531 0.000 1.173) 6.636 8.740 ( -4.267 0.000 -2.943) 5.183 8.829 ( -0.509 0.000 3.212) 3.253 8.861 ( 2.101 0.000 1.833) 2.789 8.931 ( 1.487 0.000 -3.278) 3.600 8.955 ( -1.019 0.000 -0.430) 1.106 9.006 ( 4.779 0.000 -10.297) 11.352 9.115 ( 5.074 0.000 0.248) 5.080 9.252 ( 2.204 0.000 2.385) 3.248 9.340 ( 4.593 0.000 -8.352) 9.532 9.409 ( 1.649 0.000 -3.321) 3.708 9.450 ( 0.858 0.000 -2.522) 2.664 9.688 ( -0.627 0.000 3.792) 3.843 9.799 ( 0.082 0.000 0.534) 0.540 9.814 ( -3.473 0.000 -0.881) 3.583 9.898 ( -2.477 0.000 2.466) 3.495 9.906 ( -6.346 0.000 -3.753) 7.373 10.021 ( -2.627 0.000 3.518) 4.391 10.177 ( -1.516 0.000 -0.224) 1.532 10.317 ( -6.881 0.000 -4.474) 8.208 10.371 ( -7.781 0.000 -2.247) 8.099 10.379 ( -4.334 0.000 -2.150) 4.838 11.465 ( -4.787 0.000 1.156) 4.925 11.558 ( -5.280 0.000 -0.907) 5.357 11.675 ( -5.880 0.000 -2.235) 6.291 11.700 ( -2.813 0.000 -0.817) 2.929 11.903 ( -0.248 0.000 9.409) 9.412 12.066 ( 1.963 0.000 2.511) 3.187 12.336 ( -0.368 0.000 5.856) 5.868 12.466 ( 4.131 0.000 3.642) 5.508 12.522 ( 0.443 0.000 0.324) 0.549 12.644 ( 4.868 0.000 1.561) 5.112 12.669 ( 5.093 0.000 2.332) 5.602 12.719 ( 0.333 0.000 2.950) 2.969 13.076 ( 4.594 0.000 4.553) 6.468 13.221 ( 8.120 0.000 3.891) 9.004 13.234 ( 1.391 0.000 3.303) 3.584 13.315 ( 0.015 0.000 3.557) 3.557 13.398 ( 6.527 0.000 2.870) 7.131 13.489 ( 8.125 0.000 1.903) 8.345 14.581 ( 4.746 0.000 1.595) 5.007 14.609 ( 5.612 0.000 0.796) 5.668 15.390 ( 4.595 0.000 1.427) 4.811 15.469 ( 5.679 0.000 -0.390) 5.692 15.937 ( 3.126 0.000 -0.154) 3.130 15.990 ( 1.153 0.000 0.423) 1.228 20.631 ( 1.221 0.000 3.020) 3.257 20.636 ( 1.247 0.000 1.458) 1.919 20.684 ( 1.423 0.000 1.467) 2.044 20.703 ( 0.918 0.000 2.993) 3.131 21.729 ( 2.620 0.000 0.078) 2.621 21.772 ( 2.620 0.000 0.099) 2.622 21.836 ( 2.420 0.000 1.295) 2.745 21.898 ( 1.991 0.000 1.358) 2.410 22.018 ( 3.357 0.000 3.419) 4.792 22.033 ( 4.415 0.000 3.064) 5.374 22.353 ( -2.777 0.000 -1.013) 2.956 22.373 ( -3.443 0.000 -1.917) 3.941 22.492 ( 1.492 0.000 -1.245) 1.943 22.509 ( 0.248 0.000 -2.078) 2.093 22.695 ( 0.065 0.000 -11.881) 11.881 22.724 ( 0.934 0.000 -11.796) 11.833 23.066 ( -2.910 0.000 -2.503) 3.838 23.079 ( -2.998 0.000 -2.952) 4.207 23.395 ( -6.128 0.000 -3.620) 7.117 23.410 ( -6.307 0.000 -4.597) 7.805 23.970 ( 1.401 0.000 -0.160) 1.410 24.086 ( 1.803 0.000 -1.479) 2.332 24.657 ( 2.949 0.000 -0.971) 3.104 24.681 ( 0.879 0.000 -0.089) 0.884 25.402 ( 4.768 0.000 -0.275) 4.776 25.454 ( 4.335 0.000 -0.288) 4.344 ======================= Grid point 101 (58/104) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -2.044 0.000 6.621) 6.930 1.774 ( -1.818 0.000 1.720) 2.503 2.014 ( 1.922 0.000 -7.402) 7.648 2.043 ( -7.467 0.000 0.040) 7.467 2.212 ( 3.326 0.000 5.015) 6.018 2.284 ( -5.157 0.000 -2.179) 5.599 2.379 ( -5.164 0.000 -0.533) 5.192 2.422 ( 7.858 0.000 3.210) 8.488 2.474 ( 9.291 0.000 0.209) 9.293 2.507 ( 7.728 0.000 1.326) 7.840 2.713 ( -2.797 0.000 -6.383) 6.969 2.748 ( -5.091 0.000 -0.917) 5.173 2.774 ( -6.262 0.000 6.914) 9.328 2.908 ( -6.501 0.000 1.185) 6.608 2.951 ( -5.184 0.000 2.934) 5.957 3.163 ( -10.806 0.000 -1.198) 10.872 3.192 ( -2.262 0.000 4.669) 5.188 3.280 ( -5.129 0.000 -3.955) 6.477 3.389 ( 2.955 0.000 0.854) 3.076 3.464 ( -2.133 0.000 1.987) 2.915 3.643 ( 1.508 0.000 -2.533) 2.948 3.660 ( 3.397 0.000 0.402) 3.421 3.757 ( 2.117 0.000 -0.793) 2.261 3.806 ( 0.153 0.000 -2.121) 2.126 3.812 ( 2.988 0.000 -3.648) 4.715 3.883 ( -7.233 0.000 1.102) 7.317 3.911 ( -6.145 0.000 -6.364) 8.847 3.928 ( 1.805 0.000 -3.828) 4.232 4.027 ( -0.557 0.000 -1.811) 1.895 4.060 ( -6.469 0.000 -0.028) 6.469 4.079 ( -8.898 0.000 -3.010) 9.393 4.128 ( -2.972 0.000 5.565) 6.308 4.243 ( -3.190 0.000 2.969) 4.358 4.256 ( -7.779 0.000 -11.340) 13.752 4.272 ( -3.158 0.000 -3.887) 5.008 4.371 ( -0.198 0.000 -2.063) 2.073 4.405 ( -1.618 0.000 -7.773) 7.939 4.452 ( 12.102 0.000 3.846) 12.699 4.474 ( -3.251 0.000 1.755) 3.694 4.542 ( -10.702 0.000 -2.934) 11.097 4.575 ( -1.206 0.000 -9.217) 9.295 4.671 ( -0.285 0.000 4.162) 4.172 4.719 ( -8.226 0.000 4.460) 9.357 4.723 ( -10.618 0.000 -3.565) 11.200 4.774 ( -6.846 0.000 -1.490) 7.006 4.811 ( -4.207 0.000 -5.645) 7.040 4.864 ( 2.869 0.000 1.787) 3.380 4.897 ( 1.864 0.000 -4.241) 4.632 4.930 ( 2.026 0.000 -2.326) 3.084 5.019 ( -3.309 0.000 -2.442) 4.113 5.099 ( -4.798 0.000 2.589) 5.451 5.116 ( 2.002 0.000 1.974) 2.811 5.187 ( 6.907 0.000 -4.516) 8.252 5.189 ( 3.645 0.000 0.462) 3.674 5.259 ( -4.160 0.000 -0.963) 4.270 5.310 ( 4.743 0.000 1.954) 5.130 5.358 ( -0.327 0.000 -3.460) 3.475 5.392 ( 4.984 0.000 -3.907) 6.333 5.569 ( 0.386 0.000 -2.124) 2.159 5.580 ( -7.083 0.000 2.942) 7.670 5.628 ( 2.499 0.000 2.534) 3.560 5.682 ( 6.258 0.000 2.806) 6.858 5.728 ( 6.010 0.000 6.421) 8.795 5.852 ( 10.232 0.000 3.458) 10.801 5.934 ( 1.458 0.000 5.456) 5.647 6.008 ( 11.246 0.000 0.769) 11.273 6.011 ( 3.945 0.000 3.745) 5.439 6.077 ( 6.805 0.000 8.850) 11.163 6.082 ( 2.889 0.000 5.174) 5.926 6.124 ( -0.292 0.000 0.512) 0.589 6.180 ( -1.180 0.000 1.124) 1.630 6.201 ( 12.821 0.000 11.731) 17.379 6.259 ( 4.232 0.000 9.047) 9.988 6.336 ( 14.857 0.000 6.276) 16.128 6.442 ( 1.482 0.000 4.320) 4.567 6.485 ( 7.091 0.000 3.764) 8.028 6.512 ( 2.789 0.000 -2.522) 3.760 6.542 ( 4.095 0.000 10.964) 11.703 6.600 ( 6.902 0.000 6.673) 9.601 6.601 ( -3.421 0.000 -0.687) 3.490 6.688 ( 1.846 0.000 -1.825) 2.597 6.765 ( -8.327 0.000 -5.524) 9.993 6.842 ( -10.127 0.000 -1.641) 10.259 6.901 ( -3.564 0.000 0.610) 3.616 6.903 ( -1.568 0.000 7.403) 7.568 6.934 ( -4.262 0.000 6.498) 7.771 7.091 ( -8.248 0.000 -6.821) 10.703 7.093 ( -3.140 0.000 -0.409) 3.167 7.154 ( -3.864 0.000 -1.071) 4.009 7.224 ( 0.792 0.000 1.831) 1.995 7.322 ( -7.829 0.000 0.174) 7.831 7.345 ( -4.354 0.000 -1.178) 4.510 7.409 ( 0.773 0.000 1.941) 2.089 7.421 ( -6.352 0.000 3.433) 7.221 7.456 ( -3.406 0.000 0.957) 3.538 7.645 ( -6.050 0.000 0.949) 6.124 7.657 ( -0.706 0.000 2.451) 2.550 7.666 ( 3.563 0.000 -1.187) 3.755 7.687 ( 6.630 0.000 -4.718) 8.137 7.761 ( 3.003 0.000 -3.011) 4.252 7.829 ( -8.488 0.000 -2.656) 8.894 7.901 ( 3.553 0.000 0.438) 3.580 7.989 ( -4.694 0.000 0.275) 4.702 8.007 ( -4.795 0.000 -5.472) 7.276 8.017 ( 4.185 0.000 4.545) 6.178 8.122 ( -3.648 0.000 -3.890) 5.333 8.177 ( 2.746 0.000 -0.143) 2.750 8.239 ( 0.223 0.000 -0.721) 0.755 8.240 ( 5.815 0.000 -2.527) 6.340 8.310 ( -0.399 0.000 2.882) 2.910 8.337 ( 3.396 0.000 7.014) 7.793 8.461 ( 3.175 0.000 4.678) 5.653 8.483 ( 0.789 0.000 1.378) 1.588 8.570 ( -2.096 0.000 -2.945) 3.615 8.677 ( -4.303 0.000 -2.387) 4.921 8.771 ( 4.213 0.000 0.541) 4.247 8.886 ( 4.414 0.000 2.312) 4.983 8.900 ( 3.979 0.000 -7.521) 8.508 8.951 ( 4.052 0.000 1.086) 4.195 8.999 ( 6.007 0.000 -4.770) 7.671 9.071 ( 9.852 0.000 -3.966) 10.620 9.186 ( 3.376 0.000 2.199) 4.029 9.330 ( 4.801 0.000 0.538) 4.831 9.333 ( 5.861 0.000 -6.926) 9.073 9.438 ( 1.890 0.000 -5.246) 5.576 9.487 ( 6.699 0.000 -2.688) 7.218 9.731 ( -0.013 0.000 2.844) 2.844 9.765 ( 0.237 0.000 -0.577) 0.624 9.803 ( -1.018 0.000 -1.867) 2.126 9.847 ( 3.211 0.000 0.658) 3.278 9.915 ( 2.328 0.000 1.783) 2.933 10.046 ( 1.597 0.000 2.516) 2.980 10.098 ( -5.279 0.000 -2.602) 5.885 10.225 ( 1.760 0.000 -5.856) 6.115 10.230 ( -5.256 0.000 -3.281) 6.196 10.285 ( -3.426 0.000 -3.492) 4.892 11.410 ( -1.328 0.000 -0.826) 1.564 11.486 ( -1.108 0.000 -2.445) 2.684 11.569 ( -3.241 0.000 -2.346) 4.001 11.629 ( -2.341 0.000 -2.871) 3.704 11.990 ( -1.051 0.000 9.659) 9.716 12.168 ( 5.075 0.000 4.040) 6.487 12.374 ( -2.105 0.000 6.003) 6.361 12.541 ( 0.479 0.000 1.960) 2.017 12.549 ( 1.163 0.000 4.131) 4.291 12.712 ( 2.765 0.000 0.263) 2.778 12.768 ( -0.148 0.000 5.458) 5.460 12.789 ( 5.224 0.000 3.986) 6.571 13.210 ( 3.799 0.000 7.584) 8.482 13.279 ( 0.343 0.000 3.348) 3.365 13.349 ( 2.134 0.000 3.424) 4.035 13.368 ( 2.160 0.000 4.333) 4.842 13.529 ( 3.683 0.000 5.439) 6.568 13.620 ( 3.808 0.000 3.209) 4.980 14.661 ( 2.917 0.000 1.257) 3.176 14.702 ( 4.339 0.000 0.626) 4.384 15.469 ( 3.096 0.000 1.259) 3.342 15.544 ( 3.498 0.000 -0.529) 3.537 16.002 ( 4.268 0.000 0.233) 4.275 16.007 ( 0.611 0.000 -0.012) 0.611 20.670 ( 1.016 0.000 1.517) 1.826 20.673 ( 0.338 0.000 2.452) 2.475 20.728 ( 1.893 0.000 1.716) 2.555 20.739 ( 0.107 0.000 2.391) 2.394 21.762 ( 1.310 0.000 -0.264) 1.336 21.802 ( 1.051 0.000 -0.876) 1.369 21.879 ( 0.900 0.000 1.634) 1.865 21.934 ( 1.140 0.000 0.880) 1.440 22.097 ( 1.905 0.000 3.767) 4.221 22.124 ( 2.454 0.000 3.137) 3.983 22.284 ( -3.944 0.000 -1.040) 4.078 22.292 ( -4.076 0.000 -1.326) 4.286 22.454 ( -2.998 0.000 -6.157) 6.848 22.474 ( -1.030 0.000 -4.950) 5.056 22.563 ( -1.404 0.000 -12.467) 12.546 22.616 ( 0.950 0.000 -12.498) 12.534 22.994 ( -3.117 0.000 -1.261) 3.362 23.003 ( -3.091 0.000 -1.511) 3.440 23.266 ( -5.962 0.000 -1.092) 6.061 23.275 ( -5.770 0.000 -1.241) 5.902 24.004 ( 2.568 0.000 0.256) 2.581 24.117 ( 3.736 0.000 -1.789) 4.143 24.699 ( 1.678 0.000 -0.607) 1.785 24.724 ( 5.889 0.000 -0.918) 5.960 25.489 ( 5.700 0.000 -0.483) 5.721 25.525 ( 4.681 0.000 -1.194) 4.831 ======================= Grid point 102 (59/104) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.116 0.000 0.066) 0.133 1.755 ( -9.503 0.000 14.798) 17.587 1.939 ( -9.154 0.000 11.477) 14.681 1.968 ( -17.301 0.000 0.544) 17.309 2.113 ( -11.197 0.000 7.716) 13.598 2.208 ( -11.052 0.000 2.430) 11.316 2.210 ( 5.102 0.000 -8.862) 10.226 2.519 ( -1.850 0.000 1.355) 2.293 2.583 ( -3.704 0.000 -0.943) 3.822 2.631 ( 1.825 0.000 -3.857) 4.267 2.645 ( -3.107 0.000 1.559) 3.476 2.684 ( 9.717 0.000 3.951) 10.490 2.774 ( 1.189 0.000 3.413) 3.614 2.868 ( -10.123 0.000 5.729) 11.632 2.961 ( 2.931 0.000 4.349) 5.244 2.973 ( -8.372 0.000 1.456) 8.498 3.172 ( 1.121 0.000 -10.507) 10.566 3.211 ( -1.322 0.000 3.363) 3.614 3.328 ( -13.753 0.000 0.028) 13.753 3.424 ( -5.671 0.000 3.249) 6.536 3.587 ( -14.688 0.000 -2.601) 14.917 3.603 ( -15.100 0.000 -2.978) 15.391 3.627 ( -7.187 0.000 -0.874) 7.240 3.630 ( -8.446 0.000 0.242) 8.450 3.666 ( -12.548 0.000 0.000) 12.548 3.755 ( -14.454 0.000 -3.290) 14.824 3.829 ( -0.503 0.000 -3.193) 3.232 3.845 ( -3.682 0.000 -3.334) 4.967 3.909 ( -4.646 0.000 -2.498) 5.275 3.967 ( -7.962 0.000 -1.087) 8.036 3.989 ( -3.833 0.000 -10.717) 11.382 4.032 ( -4.295 0.000 -5.904) 7.301 4.043 ( -8.743 0.000 -1.274) 8.836 4.112 ( -6.825 0.000 0.609) 6.852 4.155 ( -8.854 0.000 1.295) 8.949 4.263 ( -2.101 0.000 0.846) 2.265 4.313 ( -10.135 0.000 -1.230) 10.209 4.380 ( -6.291 0.000 -0.176) 6.293 4.429 ( -3.615 0.000 -3.059) 4.735 4.450 ( -14.411 0.000 -3.215) 14.765 4.521 ( -6.632 0.000 -2.307) 7.022 4.588 ( -7.145 0.000 1.446) 7.290 4.657 ( 0.753 0.000 1.416) 1.604 4.680 ( 15.603 0.000 3.225) 15.933 4.734 ( 2.729 0.000 2.423) 3.650 4.749 ( -11.440 0.000 -4.965) 12.471 4.898 ( 5.793 0.000 1.996) 6.127 4.945 ( -2.576 0.000 3.975) 4.737 4.955 ( 2.360 0.000 0.851) 2.508 4.979 ( 2.893 0.000 1.203) 3.133 5.049 ( -4.066 0.000 0.379) 4.084 5.130 ( 3.723 0.000 0.686) 3.786 5.149 ( -0.726 0.000 -1.679) 1.829 5.224 ( 0.108 0.000 -1.200) 1.205 5.341 ( 8.744 0.000 -1.607) 8.891 5.398 ( 1.376 0.000 0.270) 1.403 5.401 ( 0.024 0.000 1.278) 1.278 5.422 ( 5.757 0.000 -1.615) 5.980 5.477 ( -8.063 0.000 1.804) 8.262 5.579 ( 2.474 0.000 -1.310) 2.800 5.646 ( 1.056 0.000 -3.412) 3.572 5.801 ( 5.177 0.000 -1.358) 5.352 5.851 ( 6.470 0.000 0.467) 6.487 5.972 ( 2.278 0.000 3.977) 4.583 5.980 ( -3.706 0.000 5.028) 6.246 5.990 ( -11.726 0.000 -4.698) 12.632 6.046 ( -1.545 0.000 5.712) 5.917 6.089 ( -0.592 0.000 -1.880) 1.972 6.170 ( -1.434 0.000 3.155) 3.465 6.260 ( 7.328 0.000 -0.701) 7.362 6.307 ( 14.052 0.000 1.438) 14.126 6.366 ( -8.473 0.000 -1.732) 8.648 6.419 ( -13.316 0.000 3.282) 13.714 6.454 ( -3.137 0.000 3.671) 4.829 6.496 ( -9.214 0.000 0.282) 9.219 6.564 ( 7.915 0.000 5.180) 9.459 6.573 ( 6.020 0.000 4.245) 7.367 6.627 ( 7.314 0.000 6.951) 10.090 6.669 ( -0.565 0.000 6.691) 6.714 6.703 ( -0.134 0.000 6.844) 6.846 6.708 ( 0.341 0.000 2.379) 2.404 6.733 ( 13.042 0.000 6.423) 14.538 6.793 ( -1.452 0.000 1.434) 2.040 6.855 ( 0.467 0.000 2.131) 2.182 6.900 ( -3.302 0.000 5.515) 6.428 6.921 ( -5.986 0.000 0.889) 6.052 7.026 ( 5.347 0.000 4.567) 7.032 7.032 ( -8.089 0.000 2.692) 8.525 7.085 ( 0.071 0.000 0.416) 0.422 7.163 ( -3.262 0.000 1.505) 3.592 7.222 ( -4.775 0.000 1.775) 5.095 7.230 ( -2.421 0.000 -2.460) 3.451 7.387 ( 0.487 0.000 1.954) 2.014 7.471 ( 4.404 0.000 -1.359) 4.609 7.472 ( 2.410 0.000 3.555) 4.295 7.572 ( -3.784 0.000 2.523) 4.548 7.627 ( -3.420 0.000 -0.147) 3.423 7.712 ( -1.248 0.000 -1.819) 2.206 7.729 ( 0.270 0.000 -1.683) 1.705 7.812 ( 4.253 0.000 -2.226) 4.800 7.835 ( 10.460 0.000 -2.697) 10.802 7.874 ( 2.973 0.000 -6.434) 7.087 7.948 ( -0.269 0.000 3.734) 3.744 8.003 ( 5.693 0.000 -5.170) 7.690 8.031 ( -1.222 0.000 -0.521) 1.329 8.157 ( 8.489 0.000 -1.122) 8.563 8.216 ( 2.936 0.000 -0.547) 2.987 8.239 ( 0.610 0.000 -0.921) 1.104 8.309 ( 4.886 0.000 -1.858) 5.227 8.330 ( 0.052 0.000 2.263) 2.263 8.470 ( 0.332 0.000 -1.399) 1.438 8.478 ( -2.416 0.000 1.113) 2.660 8.530 ( 9.369 0.000 5.154) 10.693 8.591 ( 2.487 0.000 -1.540) 2.925 8.621 ( 2.131 0.000 0.975) 2.344 8.793 ( -0.091 0.000 -4.187) 4.188 8.931 ( -0.558 0.000 -1.579) 1.675 8.933 ( 5.503 0.000 -4.557) 7.145 8.982 ( -0.695 0.000 -4.310) 4.366 9.002 ( 1.714 0.000 -0.226) 1.728 9.209 ( 7.847 0.000 -2.407) 8.208 9.279 ( 5.298 0.000 -3.994) 6.635 9.378 ( 6.203 0.000 -5.678) 8.409 9.407 ( -0.372 0.000 -0.592) 0.699 9.432 ( 9.496 0.000 -5.385) 10.916 9.557 ( 5.738 0.000 -3.837) 6.903 9.714 ( -0.503 0.000 -1.234) 1.332 9.801 ( 1.133 0.000 -0.338) 1.182 9.827 ( 3.852 0.000 1.594) 4.169 9.920 ( 4.069 0.000 -0.301) 4.080 10.017 ( 8.705 0.000 -0.057) 8.705 10.029 ( -0.028 0.000 -1.338) 1.338 10.115 ( 4.784 0.000 0.649) 4.828 10.159 ( 0.751 0.000 -1.772) 1.924 10.191 ( 0.668 0.000 -4.456) 4.506 10.248 ( 4.835 0.000 -5.379) 7.232 11.430 ( 5.116 0.000 -0.557) 5.146 11.484 ( 3.752 0.000 -2.002) 4.252 11.548 ( 2.895 0.000 -0.798) 3.004 11.601 ( 1.834 0.000 -1.021) 2.099 12.033 ( -3.779 0.000 7.572) 8.463 12.269 ( 3.080 0.000 1.209) 3.309 12.377 ( -3.843 0.000 5.211) 6.474 12.569 ( 0.334 0.000 2.463) 2.486 12.587 ( -0.745 0.000 2.861) 2.956 12.746 ( 0.164 0.000 0.578) 0.601 12.794 ( -1.802 0.000 2.974) 3.477 12.894 ( 2.614 0.000 2.477) 3.602 13.298 ( -0.344 0.000 2.583) 2.606 13.336 ( 1.011 0.000 6.633) 6.710 13.395 ( -1.155 0.000 0.089) 1.158 13.407 ( -0.408 0.000 3.550) 3.573 13.608 ( -0.906 0.000 5.979) 6.047 13.659 ( -2.332 0.000 1.881) 2.996 14.695 ( 0.457 0.000 -0.197) 0.498 14.757 ( 2.292 0.000 -1.011) 2.505 15.511 ( 1.098 0.000 -0.246) 1.126 15.571 ( 0.769 0.000 -1.679) 1.847 16.010 ( 0.351 0.000 -1.012) 1.071 16.074 ( 4.162 0.000 -0.524) 4.195 20.681 ( -1.397 0.000 1.022) 1.731 20.696 ( 0.511 0.000 0.982) 1.107 20.748 ( -0.842 0.000 0.898) 1.231 20.776 ( 1.915 0.000 1.110) 2.213 21.763 ( -0.991 0.000 -0.688) 1.207 21.781 ( -1.974 0.000 -2.382) 3.094 21.899 ( -0.787 0.000 2.723) 2.834 21.957 ( 0.612 0.000 0.596) 0.854 22.142 ( -0.559 0.000 1.092) 1.227 22.153 ( -1.482 0.000 -0.366) 1.527 22.210 ( -4.019 0.000 0.179) 4.023 22.216 ( -4.145 0.000 0.056) 4.146 22.292 ( -5.615 0.000 -8.285) 10.008 22.376 ( -3.793 0.000 -6.249) 7.311 22.429 ( -1.779 0.000 -7.921) 8.118 22.525 ( 0.229 0.000 -9.439) 9.441 22.947 ( -2.164 0.000 0.998) 2.383 22.955 ( -2.054 0.000 0.716) 2.175 23.198 ( -3.295 0.000 4.273) 5.396 23.223 ( -1.538 0.000 5.030) 5.260 24.056 ( 3.256 0.000 -0.058) 3.257 24.180 ( 6.891 0.000 -3.499) 7.728 24.726 ( 2.892 0.000 -1.826) 3.420 24.828 ( 8.077 0.000 -2.548) 8.470 25.569 ( 5.041 0.000 -2.371) 5.571 25.579 ( 4.268 0.000 -3.741) 5.676 ======================= Grid point 103 (60/104) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -28.206 0.000 8.612) 29.491 1.633 ( -5.642 0.000 0.941) 5.720 1.791 ( -10.295 0.000 27.942) 29.778 1.969 ( -16.070 0.000 3.585) 16.465 1.994 ( -4.957 0.000 23.314) 23.835 2.095 ( -4.333 0.000 10.410) 11.276 2.402 ( 14.585 0.000 3.711) 15.050 2.416 ( -8.458 0.000 3.875) 9.303 2.510 ( -7.062 0.000 -3.473) 7.870 2.550 ( -5.881 0.000 -0.514) 5.903 2.593 ( -3.565 0.000 -8.476) 9.195 2.680 ( -17.934 0.000 -3.243) 18.224 2.714 ( -12.992 0.000 4.291) 13.683 2.772 ( -4.926 0.000 -0.503) 4.951 2.931 ( -3.308 0.000 -1.731) 3.733 2.961 ( -11.225 0.000 0.891) 11.260 3.051 ( -15.818 0.000 0.110) 15.819 3.067 ( -3.766 0.000 -9.032) 9.786 3.098 ( -13.512 0.000 4.082) 14.115 3.203 ( -5.383 0.000 -4.765) 7.189 3.264 ( -13.947 0.000 0.088) 13.947 3.389 ( -20.101 0.000 -2.758) 20.290 3.467 ( -9.412 0.000 4.501) 10.433 3.487 ( -8.416 0.000 5.591) 10.104 3.515 ( -9.146 0.000 -0.817) 9.183 3.556 ( -5.758 0.000 5.734) 8.126 3.668 ( -12.871 0.000 -0.652) 12.887 3.679 ( -9.222 0.000 -10.425) 13.918 3.755 ( -4.259 0.000 -5.401) 6.879 3.757 ( -11.100 0.000 -1.366) 11.184 3.892 ( 0.355 0.000 -2.193) 2.221 3.904 ( -6.994 0.000 0.762) 7.036 3.993 ( -0.198 0.000 -0.490) 0.528 4.071 ( -3.027 0.000 1.384) 3.328 4.076 ( -4.817 0.000 4.332) 6.478 4.164 ( -4.883 0.000 5.004) 6.992 4.235 ( -4.244 0.000 1.267) 4.429 4.282 ( 2.927 0.000 -3.350) 4.448 4.299 ( -2.846 0.000 -2.630) 3.876 4.379 ( -1.958 0.000 -1.634) 2.550 4.410 ( -4.075 0.000 -1.881) 4.488 4.513 ( -4.345 0.000 2.323) 4.927 4.592 ( -7.512 0.000 1.863) 7.740 4.660 ( 1.917 0.000 3.027) 3.583 4.815 ( 4.933 0.000 2.504) 5.533 4.852 ( -6.174 0.000 1.950) 6.474 4.870 ( -11.306 0.000 -1.956) 11.474 4.922 ( 1.336 0.000 0.943) 1.636 4.985 ( -1.709 0.000 0.439) 1.764 4.998 ( -0.248 0.000 3.979) 3.986 5.056 ( -3.805 0.000 1.533) 4.102 5.150 ( 0.458 0.000 -1.110) 1.200 5.158 ( 2.163 0.000 -2.336) 3.184 5.267 ( 0.098 0.000 0.329) 0.343 5.305 ( -3.907 0.000 2.219) 4.493 5.358 ( -1.520 0.000 4.299) 4.560 5.456 ( 3.502 0.000 -1.413) 3.776 5.485 ( 0.722 0.000 1.849) 1.985 5.499 ( 5.249 0.000 0.903) 5.326 5.629 ( -1.209 0.000 -2.920) 3.160 5.632 ( -0.196 0.000 0.039) 0.199 5.738 ( -10.040 0.000 -1.775) 10.195 5.767 ( 0.059 0.000 -8.465) 8.465 5.798 ( -16.973 0.000 0.845) 16.994 5.894 ( -6.509 0.000 -3.688) 7.481 5.959 ( 0.497 0.000 -2.633) 2.680 6.048 ( 1.852 0.000 -5.324) 5.637 6.048 ( -3.898 0.000 -2.453) 4.605 6.132 ( -19.322 0.000 2.807) 19.525 6.209 ( 4.182 0.000 0.654) 4.232 6.243 ( -1.565 0.000 -0.221) 1.581 6.359 ( -5.877 0.000 -0.086) 5.878 6.365 ( -4.321 0.000 3.860) 5.794 6.417 ( 9.029 0.000 0.124) 9.030 6.429 ( -5.725 0.000 -2.503) 6.248 6.592 ( -5.175 0.000 -6.654) 8.429 6.610 ( 7.139 0.000 0.762) 7.179 6.696 ( -1.319 0.000 0.583) 1.442 6.714 ( -1.316 0.000 5.033) 5.202 6.722 ( 4.539 0.000 5.581) 7.193 6.817 ( -4.721 0.000 3.931) 6.144 6.820 ( -5.726 0.000 -1.580) 5.940 6.866 ( -1.324 0.000 1.569) 2.053 6.904 ( 4.844 0.000 1.317) 5.020 6.917 ( 8.010 0.000 2.767) 8.475 6.955 ( 7.045 0.000 2.992) 7.654 7.070 ( 5.043 0.000 6.309) 8.077 7.146 ( 8.547 0.000 0.887) 8.593 7.160 ( -1.000 0.000 1.479) 1.785 7.219 ( 1.802 0.000 -0.715) 1.938 7.226 ( 4.648 0.000 8.713) 9.875 7.332 ( 8.114 0.000 6.386) 10.326 7.359 ( -2.907 0.000 -0.979) 3.067 7.483 ( 0.844 0.000 0.013) 0.844 7.544 ( -3.793 0.000 -4.720) 6.055 7.573 ( 3.988 0.000 4.114) 5.729 7.594 ( 2.843 0.000 -1.213) 3.091 7.653 ( -2.848 0.000 -2.488) 3.781 7.720 ( 1.522 0.000 1.279) 1.988 7.759 ( -3.786 0.000 -1.294) 4.001 7.921 ( 3.795 0.000 -2.904) 4.779 8.000 ( 8.290 0.000 -5.072) 9.719 8.028 ( 2.984 0.000 -0.101) 2.986 8.055 ( 8.619 0.000 2.092) 8.869 8.107 ( 5.529 0.000 4.737) 7.281 8.214 ( 2.845 0.000 -6.517) 7.110 8.251 ( 2.465 0.000 -2.508) 3.516 8.322 ( 6.720 0.000 -2.206) 7.072 8.333 ( -1.153 0.000 0.206) 1.171 8.384 ( 4.974 0.000 1.922) 5.332 8.438 ( -1.974 0.000 1.333) 2.382 8.452 ( -0.296 0.000 -3.812) 3.824 8.615 ( 2.801 0.000 -0.947) 2.956 8.690 ( 8.575 0.000 0.570) 8.594 8.714 ( -1.615 0.000 -7.189) 7.368 8.779 ( 8.207 0.000 3.275) 8.837 8.862 ( -0.607 0.000 -4.297) 4.339 8.919 ( -0.934 0.000 -3.715) 3.831 8.966 ( 0.071 0.000 1.576) 1.578 9.047 ( 1.889 0.000 1.343) 2.318 9.212 ( -1.191 0.000 -5.360) 5.490 9.243 ( 1.600 0.000 -7.563) 7.731 9.445 ( 3.112 0.000 0.074) 3.113 9.459 ( 8.911 0.000 -7.559) 11.685 9.562 ( 10.640 0.000 -5.083) 11.792 9.608 ( 4.023 0.000 -1.979) 4.483 9.701 ( 0.203 0.000 -0.344) 0.399 9.792 ( -0.955 0.000 -1.931) 2.154 9.906 ( 4.079 0.000 0.670) 4.134 9.958 ( 0.842 0.000 0.105) 0.849 10.038 ( 2.205 0.000 -0.824) 2.354 10.146 ( 5.113 0.000 1.813) 5.425 10.216 ( 2.533 0.000 1.663) 3.030 10.228 ( 8.495 0.000 -0.800) 8.532 10.282 ( 14.994 0.000 -0.158) 14.995 10.355 ( 14.047 0.000 -5.003) 14.911 11.577 ( 11.689 0.000 1.047) 11.736 11.578 ( 8.186 0.000 -0.783) 8.223 11.645 ( 8.302 0.000 0.908) 8.352 11.664 ( 4.660 0.000 1.294) 4.837 12.015 ( -4.922 0.000 5.019) 7.029 12.288 ( -0.117 0.000 -1.781) 1.785 12.353 ( -4.181 0.000 4.151) 5.892 12.571 ( -2.676 0.000 -0.074) 2.677 12.599 ( 0.930 0.000 0.839) 1.253 12.708 ( -4.893 0.000 -0.284) 4.901 12.761 ( -2.902 0.000 -2.354) 3.737 12.894 ( -3.020 0.000 -2.444) 3.885 13.278 ( -3.680 0.000 -1.241) 3.883 13.305 ( -6.636 0.000 -3.484) 7.495 13.371 ( -2.353 0.000 2.311) 3.298 13.400 ( -3.010 0.000 -2.089) 3.664 13.590 ( -6.307 0.000 0.919) 6.374 13.623 ( -2.824 0.000 4.694) 5.478 14.668 ( -2.226 0.000 -2.664) 3.472 14.756 ( 0.104 0.000 -3.566) 3.568 15.494 ( -1.526 0.000 -2.852) 3.235 15.536 ( -2.005 0.000 -3.434) 3.977 15.999 ( 0.189 0.000 -2.272) 2.280 16.119 ( 2.311 0.000 -2.146) 3.154 20.650 ( -2.618 0.000 -0.066) 2.619 20.701 ( -0.434 0.000 -0.407) 0.595 20.730 ( -1.315 0.000 -0.760) 1.518 20.804 ( 0.974 0.000 -0.673) 1.184 21.693 ( -4.961 0.000 -2.713) 5.654 21.708 ( -4.095 0.000 -1.595) 4.395 21.902 ( -2.687 0.000 2.908) 3.960 21.949 ( -2.721 0.000 -0.023) 2.721 22.035 ( -6.426 0.000 -8.214) 10.429 22.050 ( -5.243 0.000 -6.393) 8.268 22.161 ( -3.043 0.000 2.337) 3.837 22.170 ( -1.983 0.000 2.671) 3.326 22.211 ( -2.070 0.000 1.731) 2.698 22.266 ( -3.361 0.000 -1.461) 3.665 22.373 ( -1.420 0.000 1.067) 1.776 22.458 ( -0.233 0.000 -3.110) 3.119 22.939 ( -1.067 0.000 2.640) 2.848 22.947 ( -0.901 0.000 2.590) 2.742 23.250 ( 1.870 0.000 9.272) 9.459 23.343 ( 7.792 0.000 9.385) 12.198 24.106 ( 3.188 0.000 -0.998) 3.341 24.278 ( 10.447 0.000 -7.000) 12.575 24.760 ( 4.184 0.000 -3.601) 5.520 24.931 ( 8.262 0.000 -5.540) 9.948 25.581 ( 1.835 0.000 -7.405) 7.629 25.597 ( 2.085 0.000 -5.135) 5.542 ======================= Grid point 104 (61/104) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -10.471 0.000 12.012) 15.935 1.498 ( -14.865 0.000 12.903) 19.684 1.775 ( -10.049 0.000 -0.856) 10.086 1.778 ( -25.979 0.000 10.736) 28.109 2.084 ( -20.180 0.000 3.599) 20.499 2.132 ( -9.346 0.000 10.154) 13.801 2.248 ( -9.006 0.000 11.332) 14.475 2.258 ( -18.516 0.000 17.790) 25.677 2.280 ( -12.589 0.000 8.793) 15.356 2.377 ( -9.848 0.000 -9.787) 13.884 2.513 ( -2.176 0.000 -5.063) 5.511 2.565 ( -17.852 0.000 -3.906) 18.274 2.572 ( -5.824 0.000 8.598) 10.385 2.637 ( -12.445 0.000 8.157) 14.880 2.712 ( -12.257 0.000 -3.208) 12.670 2.766 ( -13.941 0.000 1.007) 13.977 2.823 ( 5.925 0.000 7.858) 9.841 2.907 ( -8.566 0.000 5.169) 10.005 2.955 ( -6.802 0.000 4.881) 8.372 3.074 ( -5.092 0.000 -4.199) 6.600 3.168 ( -2.641 0.000 -3.649) 4.504 3.191 ( 3.364 0.000 -0.437) 3.393 3.345 ( -8.364 0.000 5.575) 10.052 3.400 ( -9.247 0.000 -4.684) 10.365 3.430 ( -6.113 0.000 3.539) 7.063 3.449 ( -3.790 0.000 2.814) 4.720 3.495 ( -6.223 0.000 2.799) 6.823 3.525 ( -4.008 0.000 0.837) 4.095 3.685 ( 0.383 0.000 -1.825) 1.865 3.718 ( 2.065 0.000 1.811) 2.746 3.857 ( -3.307 0.000 -0.406) 3.332 3.857 ( -3.305 0.000 -0.407) 3.330 3.985 ( -2.149 0.000 2.584) 3.361 4.038 ( -2.109 0.000 -0.102) 2.111 4.039 ( -1.575 0.000 -0.278) 1.599 4.116 ( -3.541 0.000 4.941) 6.079 4.205 ( -5.025 0.000 2.430) 5.582 4.244 ( -1.788 0.000 -0.938) 2.019 4.315 ( -2.532 0.000 -5.182) 5.767 4.336 ( -3.282 0.000 -1.625) 3.662 4.405 ( 7.640 0.000 5.030) 9.147 4.470 ( -5.648 0.000 5.311) 7.752 4.520 ( 0.238 0.000 1.677) 1.694 4.637 ( -11.798 0.000 -2.685) 12.100 4.723 ( -8.565 0.000 -2.087) 8.816 4.780 ( -7.111 0.000 -3.110) 7.762 4.806 ( 2.318 0.000 3.952) 4.582 4.861 ( -8.337 0.000 -3.019) 8.867 4.907 ( -10.986 0.000 3.098) 11.414 4.928 ( -2.820 0.000 2.905) 4.049 4.990 ( 2.969 0.000 3.668) 4.720 5.048 ( -13.139 0.000 -2.033) 13.296 5.176 ( -1.367 0.000 2.194) 2.585 5.255 ( -0.541 0.000 -2.967) 3.016 5.329 ( -1.733 0.000 -0.254) 1.751 5.367 ( -11.084 0.000 1.140) 11.142 5.406 ( -8.101 0.000 8.794) 11.957 5.442 ( -2.261 0.000 0.934) 2.447 5.502 ( 2.829 0.000 -1.260) 3.097 5.556 ( -5.226 0.000 -1.359) 5.400 5.575 ( -4.672 0.000 -3.748) 5.990 5.600 ( -6.004 0.000 -0.388) 6.017 5.689 ( -1.235 0.000 -1.484) 1.930 5.733 ( 3.408 0.000 -1.312) 3.652 5.738 ( -3.459 0.000 -4.851) 5.958 5.852 ( -0.993 0.000 -5.537) 5.625 5.948 ( -11.678 0.000 8.240) 14.292 5.963 ( 3.024 0.000 -6.343) 7.027 6.090 ( 4.556 0.000 -1.188) 4.709 6.191 ( -0.263 0.000 -9.331) 9.335 6.249 ( -1.200 0.000 -0.000) 1.200 6.309 ( -2.324 0.000 -6.663) 7.056 6.351 ( 7.121 0.000 -1.987) 7.393 6.433 ( 4.194 0.000 3.217) 5.286 6.473 ( -0.189 0.000 -0.402) 0.444 6.563 ( 6.725 0.000 -4.721) 8.216 6.610 ( -7.065 0.000 -8.422) 10.993 6.659 ( -1.792 0.000 -0.099) 1.795 6.675 ( 0.966 0.000 -1.029) 1.411 6.737 ( -1.906 0.000 4.861) 5.222 6.812 ( -2.344 0.000 -1.104) 2.591 6.848 ( 2.075 0.000 3.802) 4.332 6.911 ( 4.045 0.000 -4.349) 5.939 6.986 ( 6.751 0.000 3.372) 7.546 6.996 ( 3.125 0.000 -0.493) 3.164 7.071 ( -4.615 0.000 3.703) 5.917 7.078 ( 4.839 0.000 -0.493) 4.864 7.186 ( 1.467 0.000 -2.417) 2.828 7.232 ( -0.050 0.000 -5.238) 5.238 7.270 ( 4.851 0.000 2.857) 5.630 7.328 ( 1.096 0.000 2.334) 2.578 7.396 ( -2.280 0.000 0.734) 2.395 7.404 ( 2.679 0.000 0.623) 2.750 7.475 ( -2.319 0.000 3.279) 4.017 7.523 ( 3.900 0.000 -0.161) 3.903 7.600 ( -2.348 0.000 -4.506) 5.082 7.614 ( -0.272 0.000 -0.664) 0.717 7.657 ( 1.305 0.000 2.464) 2.788 7.697 ( -2.205 0.000 0.337) 2.231 7.766 ( 2.138 0.000 0.616) 2.225 7.951 ( 1.094 0.000 -1.268) 1.675 7.989 ( -1.260 0.000 -3.465) 3.687 8.126 ( 3.198 0.000 -6.945) 7.646 8.129 ( -2.478 0.000 -9.675) 9.987 8.136 ( 1.617 0.000 2.451) 2.937 8.228 ( 2.006 0.000 4.676) 5.088 8.236 ( -0.818 0.000 -2.652) 2.775 8.300 ( -2.050 0.000 -3.076) 3.696 8.372 ( -0.205 0.000 0.104) 0.230 8.378 ( 5.391 0.000 3.640) 6.505 8.455 ( 4.901 0.000 1.369) 5.088 8.592 ( 8.123 0.000 2.534) 8.509 8.628 ( 1.443 0.000 -7.655) 7.790 8.683 ( 3.833 0.000 -0.023) 3.833 8.771 ( 1.939 0.000 -3.495) 3.997 8.881 ( -0.383 0.000 -0.560) 0.679 8.898 ( 6.115 0.000 3.244) 6.923 8.907 ( 6.300 0.000 -0.906) 6.364 8.997 ( 2.014 0.000 -1.219) 2.355 9.092 ( 1.111 0.000 4.520) 4.655 9.144 ( -0.910 0.000 -3.804) 3.912 9.285 ( 6.121 0.000 -2.267) 6.527 9.444 ( -0.324 0.000 -3.760) 3.774 9.509 ( 7.794 0.000 -10.704) 13.241 9.604 ( 2.603 0.000 -11.654) 11.941 9.637 ( 0.682 0.000 -4.738) 4.787 9.762 ( 4.637 0.000 3.295) 5.688 9.792 ( 4.379 0.000 2.267) 4.931 9.951 ( -0.438 0.000 -0.920) 1.019 9.974 ( 3.094 0.000 0.835) 3.205 10.126 ( 6.762 0.000 2.467) 7.198 10.261 ( 4.447 0.000 5.173) 6.821 10.287 ( 2.786 0.000 4.347) 5.164 10.369 ( 8.444 0.000 -0.702) 8.473 10.563 ( 13.013 0.000 -2.107) 13.183 10.574 ( 18.495 0.000 -0.984) 18.521 11.679 ( 3.255 0.000 -0.352) 3.274 11.717 ( 0.351 0.000 0.798) 0.872 11.834 ( 11.378 0.000 0.390) 11.385 11.835 ( 15.366 0.000 0.974) 15.397 12.004 ( 1.093 0.000 3.347) 3.521 12.259 ( -0.285 0.000 -2.288) 2.306 12.308 ( -5.498 0.000 1.535) 5.708 12.507 ( -2.482 0.000 -2.494) 3.518 12.599 ( -0.988 0.000 -2.029) 2.257 12.603 ( -4.763 0.000 -1.787) 5.087 12.646 ( -5.662 0.000 -5.678) 8.018 12.766 ( -6.435 0.000 -4.867) 8.069 13.125 ( -8.343 0.000 -7.612) 11.294 13.127 ( -10.092 0.000 -5.523) 11.504 13.253 ( -8.545 0.000 -4.939) 9.870 13.307 ( -4.163 0.000 -3.640) 5.530 13.502 ( -4.851 0.000 -0.109) 4.852 13.602 ( -2.862 0.000 -0.163) 2.867 14.572 ( -4.486 0.000 -5.036) 6.745 14.697 ( -1.413 0.000 -6.000) 6.164 15.405 ( -4.138 0.000 -5.291) 6.717 15.443 ( -3.865 0.000 -4.951) 6.281 15.974 ( 0.102 0.000 -3.339) 3.340 16.105 ( -0.538 0.000 -3.751) 3.790 20.603 ( -2.520 0.000 -0.235) 2.531 20.673 ( -1.576 0.000 -1.579) 2.231 20.696 ( -1.157 0.000 -1.787) 2.129 20.790 ( -0.892 0.000 -2.314) 2.480 21.598 ( -4.074 0.000 0.241) 4.081 21.613 ( -5.327 0.000 -0.329) 5.338 21.845 ( -5.897 0.000 0.584) 5.926 21.856 ( -6.290 0.000 -5.142) 8.124 21.870 ( -5.584 0.000 0.359) 5.595 21.891 ( -6.555 0.000 -4.880) 8.172 22.165 ( -0.761 0.000 5.049) 5.106 22.199 ( -1.883 0.000 3.568) 4.034 22.206 ( 0.955 0.000 5.655) 5.735 22.256 ( -0.102 0.000 4.621) 4.622 22.397 ( 0.546 0.000 5.030) 5.060 22.464 ( 1.230 0.000 2.406) 2.702 22.959 ( -0.204 0.000 3.931) 3.937 22.973 ( 0.092 0.000 4.296) 4.297 23.421 ( 6.574 0.000 9.882) 11.869 23.640 ( 17.458 0.000 5.314) 18.249 24.138 ( 2.262 0.000 -2.324) 3.244 24.376 ( 11.232 0.000 -12.260) 16.627 24.794 ( 5.053 0.000 -5.835) 7.718 24.984 ( 5.802 0.000 -8.562) 10.343 25.490 ( -3.096 0.000 -9.254) 9.758 25.537 ( -2.184 0.000 -6.650) 6.999 ======================= Grid point 105 (62/104) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -18.560 0.000 -5.163) 19.265 1.413 ( -19.833 0.000 11.927) 23.143 1.434 ( -11.793 0.000 9.543) 15.171 1.501 ( -14.250 0.000 -5.656) 15.332 1.702 ( -14.397 0.000 3.612) 14.843 1.749 ( -13.354 0.000 -3.173) 13.725 1.981 ( -15.596 0.000 -15.374) 21.900 2.198 ( -13.653 0.000 -7.588) 15.620 2.248 ( -14.588 0.000 -6.840) 16.112 2.285 ( -5.598 0.000 12.501) 13.698 2.319 ( -1.845 0.000 6.739) 6.987 2.517 ( -2.121 0.000 0.957) 2.327 2.538 ( 0.713 0.000 0.979) 1.211 2.616 ( -3.240 0.000 12.998) 13.396 2.669 ( 6.004 0.000 39.271) 39.728 2.679 ( -1.261 0.000 10.859) 10.932 2.948 ( -0.787 0.000 14.351) 14.372 3.010 ( -1.343 0.000 9.207) 9.304 3.028 ( -0.123 0.000 -1.629) 1.633 3.133 ( 3.277 0.000 10.408) 10.912 3.144 ( 3.166 0.000 7.459) 8.103 3.216 ( 1.175 0.000 1.571) 1.962 3.279 ( -3.480 0.000 2.375) 4.213 3.335 ( 2.990 0.000 3.879) 4.897 3.354 ( -5.767 0.000 3.378) 6.684 3.404 ( -0.697 0.000 -1.535) 1.686 3.480 ( 1.657 0.000 3.224) 3.625 3.500 ( 0.359 0.000 0.759) 0.840 3.659 ( 0.555 0.000 -6.944) 6.966 3.742 ( -5.627 0.000 -6.225) 8.391 3.789 ( 0.066 0.000 4.188) 4.188 3.848 ( 0.693 0.000 5.708) 5.750 3.946 ( -5.745 0.000 2.856) 6.416 3.951 ( -4.419 0.000 -2.754) 5.207 3.991 ( -2.880 0.000 -4.549) 5.384 4.096 ( -6.566 0.000 0.031) 6.566 4.133 ( -7.997 0.000 3.507) 8.732 4.197 ( -1.035 0.000 2.271) 2.495 4.230 ( -1.391 0.000 -2.476) 2.840 4.280 ( -2.218 0.000 4.357) 4.889 4.457 ( -2.929 0.000 1.471) 3.278 4.497 ( -8.709 0.000 2.776) 9.140 4.522 ( 1.857 0.000 1.829) 2.607 4.524 ( -2.160 0.000 -0.173) 2.166 4.551 ( 0.521 0.000 0.292) 0.597 4.672 ( -1.588 0.000 3.858) 4.172 4.738 ( -10.228 0.000 -0.965) 10.273 4.778 ( -2.211 0.000 -0.552) 2.279 4.849 ( -4.651 0.000 3.876) 6.054 4.863 ( -2.392 0.000 1.714) 2.942 4.892 ( -3.668 0.000 1.617) 4.008 5.025 ( -5.779 0.000 2.975) 6.500 5.142 ( -6.333 0.000 -3.021) 7.017 5.222 ( 2.377 0.000 5.239) 5.753 5.234 ( 0.326 0.000 2.497) 2.518 5.286 ( -7.808 0.000 0.603) 7.831 5.359 ( -4.121 0.000 -1.321) 4.328 5.369 ( -6.901 0.000 4.143) 8.049 5.458 ( -2.946 0.000 2.318) 3.749 5.460 ( -0.267 0.000 -5.434) 5.441 5.531 ( 0.181 0.000 2.264) 2.272 5.579 ( 0.730 0.000 -0.011) 0.730 5.651 ( -4.341 0.000 -3.105) 5.337 5.667 ( -1.712 0.000 -0.997) 1.982 5.784 ( 2.727 0.000 -1.609) 3.167 5.848 ( 3.473 0.000 -3.006) 4.594 5.919 ( -0.298 0.000 5.310) 5.318 5.978 ( 4.397 0.000 -2.946) 5.293 6.086 ( 2.081 0.000 -8.340) 8.595 6.156 ( -3.618 0.000 -6.560) 7.491 6.180 ( 4.885 0.000 -4.889) 6.911 6.224 ( -2.996 0.000 -8.613) 9.119 6.324 ( -6.445 0.000 -3.248) 7.217 6.429 ( 1.093 0.000 -6.136) 6.233 6.490 ( 4.949 0.000 -3.469) 6.044 6.599 ( 3.722 0.000 1.547) 4.031 6.600 ( 3.281 0.000 -4.384) 5.476 6.652 ( 2.793 0.000 -0.746) 2.891 6.709 ( 3.157 0.000 -2.171) 3.831 6.765 ( -0.675 0.000 4.979) 5.024 6.789 ( -0.103 0.000 2.014) 2.017 6.884 ( -0.067 0.000 -2.546) 2.546 6.916 ( 1.252 0.000 -2.055) 2.406 7.007 ( -3.924 0.000 0.952) 4.038 7.019 ( -0.187 0.000 3.917) 3.921 7.099 ( -4.108 0.000 -7.299) 8.375 7.118 ( 2.390 0.000 -3.738) 4.437 7.127 ( 2.606 0.000 -2.140) 3.372 7.246 ( 4.187 0.000 -0.715) 4.248 7.279 ( -0.259 0.000 -9.896) 9.900 7.311 ( -7.228 0.000 -5.503) 9.084 7.358 ( -0.509 0.000 -8.278) 8.294 7.410 ( -1.950 0.000 5.731) 6.054 7.425 ( -5.751 0.000 1.600) 5.970 7.441 ( -6.089 0.000 3.893) 7.227 7.598 ( -0.128 0.000 0.221) 0.255 7.640 ( 1.697 0.000 -2.683) 3.174 7.650 ( 1.124 0.000 -0.959) 1.477 7.683 ( -1.095 0.000 2.943) 3.140 7.691 ( -3.665 0.000 0.400) 3.687 7.922 ( -1.667 0.000 -2.267) 2.814 7.944 ( -0.955 0.000 0.402) 1.036 8.097 ( 3.566 0.000 1.654) 3.931 8.129 ( 3.800 0.000 -0.133) 3.802 8.148 ( -3.056 0.000 -1.776) 3.535 8.203 ( -2.561 0.000 2.088) 3.304 8.247 ( -0.586 0.000 0.630) 0.861 8.281 ( 1.084 0.000 -1.566) 1.905 8.402 ( 0.676 0.000 1.490) 1.636 8.506 ( 3.432 0.000 2.328) 4.147 8.567 ( 3.216 0.000 -1.783) 3.677 8.591 ( 5.143 0.000 -3.756) 6.369 8.651 ( -0.041 0.000 -1.206) 1.207 8.743 ( 3.614 0.000 -4.336) 5.644 8.807 ( 3.621 0.000 -2.445) 4.369 8.894 ( 2.145 0.000 -0.659) 2.244 8.935 ( -0.957 0.000 -5.472) 5.555 9.005 ( 2.769 0.000 -1.087) 2.975 9.068 ( 8.355 0.000 2.617) 8.756 9.101 ( 1.569 0.000 -0.291) 1.596 9.201 ( 1.299 0.000 6.642) 6.768 9.262 ( -3.032 0.000 -7.786) 8.356 9.385 ( -0.943 0.000 -5.816) 5.892 9.488 ( -1.210 0.000 -10.654) 10.722 9.507 ( 3.212 0.000 -13.177) 13.563 9.558 ( -1.517 0.000 -4.233) 4.497 9.841 ( 2.272 0.000 0.117) 2.275 9.936 ( 5.544 0.000 0.152) 5.546 9.991 ( 6.464 0.000 4.155) 7.685 10.016 ( 1.233 0.000 -0.242) 1.256 10.239 ( 3.465 0.000 0.355) 3.484 10.382 ( 3.112 0.000 6.404) 7.120 10.419 ( 6.359 0.000 6.591) 9.158 10.470 ( 3.850 0.000 -1.123) 4.010 10.723 ( 7.247 0.000 -0.644) 7.276 10.821 ( 11.210 0.000 -2.720) 11.535 11.678 ( -3.179 0.000 -0.175) 3.183 11.690 ( -0.368 0.000 -0.619) 0.720 11.949 ( 2.820 0.000 2.064) 3.495 12.086 ( 12.664 0.000 -1.030) 12.705 12.141 ( 2.339 0.000 -1.110) 2.589 12.195 ( 0.458 0.000 -0.025) 0.459 12.213 ( -4.555 0.000 -1.389) 4.762 12.464 ( 0.595 0.000 -2.146) 2.227 12.491 ( -5.594 0.000 -4.600) 7.243 12.558 ( 0.734 0.000 -2.821) 2.915 12.561 ( 1.103 0.000 -2.161) 2.427 12.619 ( -6.343 0.000 -4.220) 7.618 12.874 ( -9.680 0.000 -8.865) 13.126 12.889 ( -9.274 0.000 -7.898) 12.181 13.100 ( -3.893 0.000 -3.465) 5.212 13.183 ( -4.119 0.000 -6.560) 7.746 13.411 ( -4.319 0.000 -2.778) 5.135 13.512 ( -4.962 0.000 -4.300) 6.566 14.444 ( -4.240 0.000 -4.972) 6.534 14.604 ( -1.838 0.000 -7.279) 7.507 15.275 ( -4.139 0.000 -5.985) 7.277 15.329 ( -3.186 0.000 -5.461) 6.323 15.942 ( 0.340 0.000 -3.736) 3.751 16.041 ( -1.916 0.000 -4.308) 4.715 20.564 ( -1.918 0.000 -0.089) 1.920 20.627 ( -1.831 0.000 -1.488) 2.360 20.659 ( -1.111 0.000 -1.905) 2.205 20.741 ( -1.835 0.000 -2.404) 3.025 21.544 ( -3.636 0.000 2.058) 4.178 21.563 ( -1.656 0.000 1.695) 2.370 21.745 ( -3.247 0.000 -1.022) 3.404 21.748 ( -5.404 0.000 0.592) 5.437 21.761 ( -4.956 0.000 -1.057) 5.067 21.790 ( -4.361 0.000 0.825) 4.439 22.216 ( 0.374 0.000 5.561) 5.574 22.225 ( -0.232 0.000 5.262) 5.267 22.291 ( 1.788 0.000 6.444) 6.687 22.328 ( 1.384 0.000 7.086) 7.220 22.479 ( 3.443 0.000 4.985) 6.059 22.537 ( 3.399 0.000 4.130) 5.349 23.007 ( 0.789 0.000 4.811) 4.875 23.030 ( 1.090 0.000 5.223) 5.335 23.615 ( 6.332 0.000 5.851) 8.621 23.941 ( 16.183 0.000 -6.695) 17.514 24.134 ( 0.611 0.000 -3.603) 3.655 24.393 ( 6.602 0.000 -16.036) 17.342 24.808 ( 4.154 0.000 -8.102) 9.105 24.962 ( 2.295 0.000 -9.767) 10.033 25.338 ( -4.792 0.000 -5.412) 7.229 25.423 ( -3.541 0.000 -5.242) 6.326 ======================= Grid point 106 (63/104) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -1.924 -19.777 -3.812) 20.233 1.067 ( -1.924 19.777 -3.812) 20.233 1.397 ( 6.333 -5.688 -9.258) 12.576 1.397 ( 6.333 5.688 -9.258) 12.576 1.620 ( -1.625 -5.083 -9.989) 11.325 1.620 ( -1.625 5.083 -9.989) 11.325 2.019 ( 2.639 -3.166 1.936) 4.554 2.019 ( 2.639 3.166 1.936) 4.554 2.074 ( 1.142 -24.716 8.878) 26.287 2.074 ( 1.142 24.716 8.878) 26.287 2.480 ( 1.652 -3.291 2.936) 4.709 2.480 ( 1.652 3.291 2.936) 4.709 2.543 ( -1.725 -10.163 7.754) 12.899 2.543 ( -1.725 10.163 7.754) 12.899 2.961 ( 2.677 -3.913 -5.207) 7.042 2.961 ( 2.677 3.913 -5.207) 7.042 3.091 ( 0.346 -6.600 11.507) 13.270 3.091 ( 0.346 6.600 11.507) 13.270 3.183 ( 2.861 -6.759 11.335) 13.504 3.183 ( 2.861 6.759 11.335) 13.504 3.272 ( 0.770 -1.776 10.232) 10.413 3.272 ( 0.770 1.776 10.232) 10.413 3.354 ( 3.934 -5.490 9.993) 12.062 3.354 ( 3.934 5.490 9.993) 12.062 3.431 ( 3.563 -8.653 2.713) 9.743 3.431 ( 3.563 8.653 2.713) 9.743 3.503 ( 1.661 -3.129 1.617) 3.894 3.503 ( 1.661 3.129 1.617) 3.894 3.649 ( 0.447 -3.037 0.484) 3.107 3.649 ( 0.447 3.037 0.484) 3.107 3.781 ( -4.036 -5.919 2.548) 7.604 3.781 ( -4.036 5.919 2.548) 7.604 3.903 ( -0.837 -2.930 -2.196) 3.756 3.903 ( -0.837 2.930 -2.196) 3.756 3.982 ( -1.058 -6.472 -0.375) 6.569 3.982 ( -1.058 6.472 -0.375) 6.569 4.121 ( 3.207 -5.502 1.497) 6.542 4.121 ( 3.207 5.502 1.497) 6.542 4.353 ( 4.586 -4.319 5.813) 8.572 4.353 ( 4.586 4.319 5.813) 8.572 4.418 ( -0.187 -4.100 -0.278) 4.114 4.418 ( -0.187 4.100 -0.278) 4.114 4.538 ( -3.321 -1.693 5.797) 6.892 4.538 ( -3.321 1.693 5.797) 6.892 4.654 ( 0.515 -2.623 0.332) 2.693 4.654 ( 0.515 2.623 0.332) 2.693 4.728 ( 4.878 -5.249 1.655) 7.354 4.728 ( 4.878 5.249 1.655) 7.354 4.808 ( -4.699 -3.693 -0.875) 6.041 4.808 ( -4.699 3.693 -0.875) 6.041 4.941 ( -3.079 -1.640 9.512) 10.131 4.941 ( -3.079 1.640 9.512) 10.131 5.113 ( -7.158 -5.567 -3.084) 9.578 5.113 ( -7.158 5.567 -3.084) 9.578 5.265 ( 1.187 -0.853 2.963) 3.304 5.265 ( 1.187 0.853 2.963) 3.304 5.339 ( -1.724 -7.146 0.769) 7.392 5.339 ( -1.724 7.146 0.769) 7.392 5.473 ( -2.918 -1.863 -1.109) 3.635 5.473 ( -2.918 1.863 -1.109) 3.635 5.562 ( 2.725 -1.624 1.500) 3.509 5.562 ( 2.725 1.624 1.500) 3.509 5.634 ( 1.556 -9.626 5.361) 11.128 5.634 ( 1.556 9.626 5.361) 11.128 5.825 ( 0.817 -0.811 -1.926) 2.243 5.825 ( 0.817 0.811 -1.926) 2.243 5.911 ( -0.932 -1.840 -5.878) 6.229 5.911 ( -0.932 1.840 -5.878) 6.229 6.080 ( 4.859 -1.462 -5.470) 7.461 6.080 ( 4.859 1.462 -5.470) 7.461 6.205 ( -1.340 -4.954 0.654) 5.174 6.205 ( -1.340 4.954 0.654) 5.174 6.309 ( -0.796 -2.861 -6.948) 7.556 6.309 ( -0.796 2.861 -6.948) 7.556 6.459 ( -1.301 -8.100 -0.609) 8.226 6.459 ( -1.301 8.100 -0.609) 8.226 6.628 ( -0.297 -2.742 -6.275) 6.854 6.628 ( -0.297 2.742 -6.275) 6.854 6.753 ( -0.853 -2.930 0.147) 3.056 6.753 ( -0.853 2.930 0.147) 3.056 6.806 ( -2.494 -5.557 -7.594) 9.735 6.806 ( -2.494 5.557 -7.594) 9.735 6.895 ( -5.751 -3.623 -6.011) 9.074 6.895 ( -5.751 3.623 -6.011) 9.074 6.974 ( -6.237 -1.005 -5.488) 8.369 6.974 ( -6.237 1.005 -5.488) 8.369 7.016 ( -1.387 -3.623 -0.020) 3.879 7.016 ( -1.387 3.623 -0.020) 3.879 7.237 ( 1.187 -2.798 -2.193) 3.749 7.237 ( 1.187 2.798 -2.193) 3.749 7.347 ( -2.407 -11.696 -1.069) 11.989 7.347 ( -2.407 11.696 -1.069) 11.989 7.398 ( 0.364 -1.869 2.501) 3.144 7.398 ( 0.364 1.869 2.501) 3.144 7.493 ( 1.766 -4.767 8.079) 9.545 7.493 ( 1.766 4.767 8.079) 9.545 7.684 ( 1.132 -5.443 2.692) 6.177 7.684 ( 1.132 5.443 2.692) 6.177 7.750 ( 1.881 -3.178 2.568) 4.498 7.750 ( 1.881 3.178 2.568) 4.498 7.992 ( 3.354 -4.203 0.531) 5.403 7.992 ( 3.354 4.203 0.531) 5.403 8.102 ( -3.987 -2.547 -1.427) 4.942 8.102 ( -3.987 2.547 -1.427) 4.942 8.141 ( -1.910 -7.224 0.651) 7.501 8.141 ( -1.910 7.224 0.651) 7.501 8.250 ( 0.679 -2.441 -0.082) 2.535 8.250 ( 0.679 2.441 -0.082) 2.535 8.417 ( -1.130 -12.485 -2.087) 12.709 8.417 ( -1.130 12.485 -2.087) 12.709 8.596 ( -0.838 -5.503 -3.234) 6.438 8.596 ( -0.838 5.503 -3.234) 6.438 8.652 ( -0.696 -4.941 -6.819) 8.449 8.652 ( -0.696 4.941 -6.819) 8.449 8.809 ( 2.569 -7.062 -6.294) 9.802 8.809 ( 2.569 7.062 -6.294) 9.802 8.886 ( -3.953 -3.446 -6.537) 8.380 8.886 ( -3.953 3.446 -6.537) 8.380 9.135 ( -0.663 -2.674 -3.169) 4.199 9.135 ( -0.663 2.674 -3.169) 4.199 9.283 ( -0.008 -4.984 -6.870) 8.488 9.283 ( -0.008 4.984 -6.870) 8.488 9.386 ( 2.187 -4.779 1.307) 5.415 9.386 ( 2.187 4.779 1.307) 5.415 9.481 ( 2.938 -5.407 -2.887) 6.798 9.481 ( 2.938 5.407 -2.887) 6.798 9.882 ( 0.079 -4.202 -1.529) 4.473 9.882 ( 0.079 4.202 -1.529) 4.473 10.099 ( 1.102 -4.536 2.556) 5.322 10.099 ( 1.102 4.536 2.556) 5.322 10.376 ( 0.475 -7.626 -1.926) 7.880 10.376 ( 0.475 7.626 -1.926) 7.880 10.522 ( 1.274 -3.714 6.098) 7.253 10.522 ( 1.274 3.714 6.098) 7.253 10.812 ( -1.529 -3.851 -2.350) 4.764 10.812 ( -1.529 3.851 -2.350) 4.764 11.678 ( -0.598 -0.881 -0.020) 1.065 11.678 ( -0.598 0.881 -0.020) 1.065 11.991 ( -3.489 -3.297 1.048) 4.913 11.991 ( -3.489 3.297 1.048) 4.913 12.152 ( -0.234 -4.328 -0.129) 4.336 12.152 ( -0.234 4.328 -0.129) 4.336 12.372 ( -6.042 -3.320 -3.380) 7.678 12.372 ( -6.042 3.320 -3.380) 7.678 12.429 ( 3.140 -5.786 -2.355) 6.991 12.429 ( 3.140 5.786 -2.355) 6.991 12.567 ( -0.068 -3.322 -3.321) 4.698 12.567 ( -0.068 3.322 -3.321) 4.698 12.750 ( 1.988 -1.632 -5.054) 5.671 12.750 ( 1.988 1.632 -5.054) 5.671 13.062 ( 1.191 -0.142 -4.694) 4.844 13.062 ( 1.191 0.142 -4.694) 4.844 13.347 ( -4.028 -2.629 -4.466) 6.563 13.347 ( -4.028 2.629 -4.466) 6.563 14.430 ( -1.296 -6.426 -4.931) 8.203 14.430 ( -1.296 6.426 -4.931) 8.203 15.215 ( -0.300 -2.982 -5.214) 6.014 15.215 ( -0.300 2.982 -5.214) 6.014 15.947 ( -0.060 -2.344 -3.756) 4.427 15.947 ( -0.060 2.344 -3.756) 4.427 20.555 ( -1.146 -1.834 -0.212) 2.173 20.555 ( -1.146 1.834 -0.212) 2.173 20.666 ( -1.393 -2.423 -1.597) 3.219 20.666 ( -1.393 2.423 -1.597) 3.219 21.546 ( -0.423 -1.554 2.121) 2.664 21.546 ( -0.423 1.554 2.121) 2.664 21.700 ( -1.179 -0.861 0.668) 1.605 21.700 ( -1.179 0.861 0.668) 1.605 21.736 ( -1.202 -0.886 1.346) 2.010 21.736 ( -1.202 0.886 1.346) 2.010 22.277 ( 0.874 -0.245 4.559) 4.648 22.277 ( 0.874 0.245 4.559) 4.648 22.399 ( 1.560 -1.764 6.177) 6.611 22.399 ( 1.560 1.764 6.177) 6.611 22.622 ( 5.130 -1.928 2.983) 6.239 22.622 ( 5.130 1.928 2.983) 6.239 23.088 ( 1.440 -1.304 4.623) 5.014 23.088 ( 1.440 1.304 4.623) 5.014 23.810 ( 1.735 -9.713 -2.049) 10.077 23.810 ( 1.735 9.713 -2.049) 10.077 24.252 ( 1.186 -6.937 -12.915) 14.708 24.252 ( 1.186 6.937 -12.915) 14.708 24.830 ( 0.489 -4.818 -8.663) 9.925 24.830 ( 0.489 4.818 -8.663) 9.925 25.307 ( 0.040 -3.295 -2.866) 4.367 25.307 ( 0.040 3.295 -2.866) 4.367 ======================= Grid point 108 (64/104) ======================= q-point: ( 0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 18.268 -13.574 -6.069) 23.555 1.196 ( 18.268 13.574 -6.069) 23.555 1.513 ( 22.617 -6.096 -15.021) 27.826 1.513 ( 22.617 6.096 -15.021) 27.826 1.703 ( 18.823 -1.368 -6.473) 19.952 1.703 ( 18.823 1.368 -6.473) 19.952 2.118 ( -1.344 -21.682 0.849) 21.741 2.118 ( -1.344 21.682 0.849) 21.741 2.238 ( 13.773 -3.392 6.206) 15.483 2.238 ( 13.773 3.392 6.206) 15.483 2.486 ( 3.698 -4.894 -4.365) 7.529 2.486 ( 3.698 4.894 -4.365) 7.529 2.636 ( 0.313 -5.637 7.473) 9.366 2.636 ( 0.313 5.637 7.473) 9.366 3.054 ( 11.132 -7.293 -0.740) 13.329 3.054 ( 11.132 7.293 -0.740) 13.329 3.101 ( -5.335 -8.487 -0.391) 10.032 3.101 ( -5.335 8.487 -0.391) 10.032 3.238 ( 1.007 -9.373 5.032) 10.686 3.238 ( 1.007 9.373 5.032) 10.686 3.345 ( -1.655 -4.489 2.420) 5.362 3.345 ( -1.655 4.489 2.420) 5.362 3.472 ( 1.778 -3.670 8.813) 9.711 3.472 ( 1.778 3.670 8.813) 9.711 3.520 ( 0.382 -4.147 4.968) 6.483 3.520 ( 0.382 4.147 4.968) 6.483 3.607 ( 4.187 -0.358 9.220) 10.133 3.607 ( 4.187 0.358 9.220) 10.133 3.700 ( 3.865 -3.314 5.565) 7.543 3.700 ( 3.865 3.314 5.565) 7.543 3.838 ( 1.166 -0.416 4.742) 4.901 3.838 ( 1.166 0.416 4.742) 4.901 3.944 ( 7.203 -3.742 0.501) 8.132 3.944 ( 7.203 3.742 0.501) 8.132 4.080 ( 9.853 -2.969 -0.658) 10.311 4.080 ( 9.853 2.969 -0.658) 10.311 4.217 ( 7.934 -1.127 0.076) 8.014 4.217 ( 7.934 1.127 0.076) 8.014 4.390 ( 2.066 -1.110 -2.447) 3.390 4.390 ( 2.066 1.110 -2.447) 3.390 4.504 ( -0.673 -2.399 4.830) 5.435 4.504 ( -0.673 2.399 4.830) 5.435 4.574 ( 7.214 -4.850 1.686) 8.855 4.574 ( 7.214 4.850 1.686) 8.855 4.685 ( 3.465 -0.953 -3.721) 5.173 4.685 ( 3.465 0.953 -3.721) 5.173 4.760 ( 2.229 -1.683 2.331) 3.638 4.760 ( 2.229 1.683 2.331) 3.638 4.853 ( 3.621 -6.170 6.109) 9.408 4.853 ( 3.621 6.170 6.109) 9.408 4.970 ( -3.935 -2.797 4.731) 6.759 4.970 ( -3.935 2.797 4.731) 6.759 5.061 ( -1.215 -1.220 10.240) 10.384 5.061 ( -1.215 1.220 10.240) 10.384 5.259 ( -3.639 -2.543 -0.203) 4.445 5.259 ( -3.639 2.543 -0.203) 4.445 5.348 ( 1.862 -7.731 1.247) 8.049 5.348 ( 1.862 7.731 1.247) 8.049 5.439 ( -0.305 -0.913 0.143) 0.973 5.439 ( -0.305 0.913 0.143) 0.973 5.600 ( 1.946 -3.968 -0.999) 4.531 5.600 ( 1.946 3.968 -0.999) 4.531 5.705 ( 1.358 -3.457 -2.560) 4.511 5.705 ( 1.358 3.457 -2.560) 4.511 5.796 ( -0.127 -4.531 0.680) 4.584 5.796 ( -0.127 4.531 0.680) 4.584 5.922 ( 3.152 -5.232 1.175) 6.220 5.922 ( 3.152 5.232 1.175) 6.220 6.030 ( -5.143 -1.188 -6.831) 8.633 6.030 ( -5.143 1.188 -6.831) 8.633 6.192 ( 1.033 -3.838 3.715) 5.440 6.192 ( 1.033 3.838 3.715) 5.440 6.292 ( 0.645 -1.149 -2.353) 2.696 6.292 ( 0.645 1.149 -2.353) 2.696 6.383 ( -8.015 -7.994 -8.801) 14.339 6.383 ( -8.015 7.994 -8.801) 14.339 6.447 ( -4.849 -5.267 -6.063) 9.381 6.447 ( -4.849 5.267 -6.063) 9.381 6.577 ( -9.578 -3.974 -5.188) 11.595 6.577 ( -9.578 3.974 -5.188) 11.595 6.742 ( -3.045 -4.115 -2.642) 5.760 6.742 ( -3.045 4.115 -2.642) 5.760 6.803 ( 1.994 -1.617 0.669) 2.653 6.803 ( 1.994 1.617 0.669) 2.653 6.921 ( 2.030 -0.249 2.872) 3.526 6.921 ( 2.030 0.249 2.872) 3.526 7.085 ( 2.634 -9.831 2.433) 10.465 7.085 ( 2.634 9.831 2.433) 10.465 7.237 ( 0.181 -7.264 -4.587) 8.593 7.237 ( 0.181 7.264 -4.587) 8.593 7.367 ( 2.413 -1.050 3.803) 4.624 7.367 ( 2.413 1.050 3.803) 4.624 7.436 ( 0.610 -2.346 6.709) 7.134 7.436 ( 0.610 2.346 6.709) 7.134 7.597 ( 1.334 -7.167 4.540) 8.588 7.597 ( 1.334 7.167 4.540) 8.588 7.701 ( -0.833 -7.202 -0.565) 7.272 7.701 ( -0.833 7.202 -0.565) 7.272 7.796 ( -2.322 -2.943 0.504) 3.783 7.796 ( -2.322 2.943 0.504) 3.783 7.879 ( -3.617 -2.515 -7.716) 8.885 7.879 ( -3.617 2.515 -7.716) 8.885 8.043 ( -0.361 -3.771 -0.056) 3.789 8.043 ( -0.361 3.771 -0.056) 3.789 8.180 ( -1.907 -1.859 3.716) 4.572 8.180 ( -1.907 1.859 3.716) 4.572 8.254 ( -0.671 -1.541 -2.395) 2.926 8.254 ( -0.671 1.541 -2.395) 2.926 8.394 ( 2.653 -10.864 -1.128) 11.240 8.394 ( 2.653 10.864 -1.128) 11.240 8.528 ( -2.299 -2.504 -2.922) 4.483 8.528 ( -2.299 2.504 -2.922) 4.483 8.556 ( -3.059 -7.451 -8.642) 11.814 8.556 ( -3.059 7.451 -8.642) 11.814 8.708 ( -1.386 -2.789 -8.930) 9.458 8.708 ( -1.386 2.789 -8.930) 9.458 8.792 ( -0.828 -5.720 -3.571) 6.793 8.792 ( -0.828 5.720 -3.571) 6.793 9.096 ( 0.096 -3.648 -4.946) 6.146 9.096 ( 0.096 3.648 -4.946) 6.146 9.206 ( -3.200 -5.103 -3.798) 7.120 9.206 ( -3.200 5.103 -3.798) 7.120 9.429 ( 0.324 -3.448 1.991) 3.995 9.429 ( 0.324 3.448 1.991) 3.995 9.521 ( 2.729 -4.605 -2.089) 5.746 9.521 ( 2.729 4.605 -2.089) 5.746 9.850 ( -1.531 -4.761 -2.472) 5.579 9.850 ( -1.531 4.761 -2.472) 5.579 10.106 ( -3.089 -9.669 2.893) 10.555 10.106 ( -3.089 9.669 2.893) 10.555 10.315 ( -3.838 -3.648 -4.063) 6.674 10.315 ( -3.838 3.648 -4.063) 6.674 10.555 ( -4.867 -4.386 5.385) 8.481 10.555 ( -4.867 4.386 5.385) 8.481 10.714 ( -6.391 -0.237 -1.053) 6.482 10.714 ( -6.391 0.237 -1.053) 6.482 11.676 ( -0.264 -2.114 0.893) 2.310 11.676 ( -0.264 2.114 0.893) 2.310 11.897 ( -7.784 -3.293 1.199) 8.536 11.897 ( -7.784 3.293 1.199) 8.536 12.147 ( -7.035 -2.380 1.752) 7.631 12.147 ( -7.035 2.380 1.752) 7.631 12.250 ( 1.291 -2.173 -0.827) 2.660 12.250 ( 1.291 2.173 -0.827) 2.660 12.472 ( 3.858 -6.827 -3.922) 8.768 12.472 ( 3.858 6.827 -3.922) 8.768 12.525 ( 0.067 -9.300 -2.734) 9.693 12.525 ( 0.067 9.300 -2.734) 9.693 12.817 ( 7.143 -8.176 -1.423) 10.949 12.817 ( 7.143 8.176 -1.423) 10.949 13.068 ( 4.428 -6.125 -4.936) 9.028 13.068 ( 4.428 6.125 -4.936) 9.028 13.268 ( -0.618 -0.850 -3.173) 3.342 13.268 ( -0.618 0.850 -3.173) 3.342 14.392 ( 1.472 -4.448 -3.134) 5.636 14.392 ( 1.472 4.448 -3.134) 5.636 15.198 ( 3.393 -3.089 -3.923) 6.037 15.198 ( 3.393 3.089 -3.923) 6.037 15.922 ( 0.895 -0.590 -3.053) 3.236 15.922 ( 0.895 0.590 -3.053) 3.236 20.545 ( -0.227 -1.599 0.591) 1.719 20.545 ( -0.227 1.599 0.591) 1.719 20.638 ( -0.640 -1.722 -0.558) 1.920 20.638 ( -0.640 1.722 -0.558) 1.920 21.576 ( 1.716 -1.803 1.690) 3.009 21.576 ( 1.716 1.803 1.690) 3.009 21.710 ( 1.063 -2.048 1.273) 2.635 21.710 ( 1.063 2.048 1.273) 2.635 21.759 ( 2.128 -0.565 1.445) 2.633 21.759 ( 2.128 0.565 1.445) 2.633 22.333 ( 1.314 -0.697 3.141) 3.475 22.333 ( 1.314 0.697 3.141) 3.475 22.468 ( 0.680 -2.156 4.180) 4.752 22.468 ( 0.680 2.156 4.180) 4.752 22.727 ( 5.386 -1.311 -0.283) 5.551 22.727 ( 5.386 1.311 -0.283) 5.551 23.146 ( 0.936 -1.373 2.760) 3.222 23.146 ( 0.936 1.373 2.760) 3.222 23.768 ( -2.692 -6.066 -3.700) 7.598 23.768 ( -2.692 6.066 -3.700) 7.598 24.141 ( -1.204 -6.455 -8.675) 10.880 24.141 ( -1.204 6.455 -8.675) 10.880 24.751 ( -0.808 -3.019 -6.462) 7.178 24.751 ( -0.808 3.019 -6.462) 7.178 25.305 ( 2.487 -1.305 -2.890) 4.030 25.305 ( 2.487 1.305 -2.890) 4.030 ======================= Grid point 110 (65/104) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 19.700 -4.877 -10.389) 22.799 1.439 ( 19.700 4.877 -10.389) 22.799 1.868 ( 25.114 -10.104 -4.771) 27.487 1.868 ( 25.114 10.104 -4.771) 27.487 1.967 ( 15.855 -6.975 -6.553) 18.519 1.967 ( 15.855 6.975 -6.553) 18.519 2.098 ( 2.707 -16.488 -3.364) 17.044 2.098 ( 2.707 16.488 -3.364) 17.044 2.383 ( 5.994 -6.047 -1.893) 8.722 2.383 ( 5.994 6.047 -1.893) 8.722 2.602 ( -1.932 -3.919 -0.877) 4.457 2.602 ( -1.932 3.919 -0.877) 4.457 2.712 ( 14.188 -3.432 2.104) 14.748 2.712 ( 14.188 3.432 2.104) 14.748 3.011 ( -1.833 -5.053 1.388) 5.552 3.011 ( -1.833 5.053 1.388) 5.552 3.212 ( -3.287 -7.112 0.538) 7.854 3.212 ( -3.287 7.112 0.538) 7.854 3.258 ( 6.561 -9.777 1.108) 11.826 3.258 ( 6.561 9.777 1.108) 11.826 3.448 ( 4.095 -2.911 5.092) 7.154 3.448 ( 4.095 2.911 5.092) 7.154 3.549 ( 5.282 -4.717 3.995) 8.131 3.549 ( 5.282 4.717 3.995) 8.131 3.663 ( 10.832 -1.825 2.637) 11.297 3.663 ( 10.832 1.825 2.637) 11.297 3.755 ( 3.183 -2.598 6.052) 7.315 3.755 ( 3.183 2.598 6.052) 7.315 3.856 ( 6.981 -2.616 5.019) 8.987 3.856 ( 6.981 2.616 5.019) 8.987 3.908 ( 5.095 -2.165 4.904) 7.396 3.908 ( 5.095 2.165 4.904) 7.396 4.073 ( 3.236 -4.579 5.313) 7.725 4.073 ( 3.236 4.579 5.313) 7.725 4.156 ( 5.241 -1.421 -4.193) 6.861 4.156 ( 5.241 1.421 -4.193) 6.861 4.373 ( 6.313 -3.036 -4.928) 8.565 4.373 ( 6.313 3.036 -4.928) 8.565 4.433 ( 5.503 -3.704 -2.396) 7.053 4.433 ( 5.503 3.704 -2.396) 7.053 4.510 ( 3.732 -8.397 3.397) 9.797 4.510 ( 3.732 8.397 3.397) 9.797 4.715 ( 5.389 -2.597 -0.627) 6.015 4.715 ( 5.389 2.597 -0.627) 6.015 4.775 ( 4.141 -3.631 2.217) 5.937 4.775 ( 4.141 3.631 2.217) 5.937 4.870 ( 9.088 -4.174 1.242) 10.078 4.870 ( 9.088 4.174 1.242) 10.078 4.914 ( -0.107 -2.185 3.950) 4.516 4.914 ( -0.107 2.185 3.950) 4.516 5.035 ( 6.637 -4.269 0.061) 7.892 5.035 ( 6.637 4.269 0.061) 7.892 5.127 ( -5.200 -3.706 13.255) 14.712 5.127 ( -5.200 3.706 13.255) 14.712 5.210 ( -0.195 -0.502 1.121) 1.244 5.210 ( -0.195 0.502 1.121) 1.244 5.370 ( -0.600 -4.886 -1.192) 5.065 5.370 ( -0.600 4.886 -1.192) 5.065 5.463 ( 0.855 -1.979 2.039) 2.968 5.463 ( 0.855 1.979 2.039) 2.968 5.605 ( 0.459 -6.550 -3.554) 7.466 5.605 ( 0.459 6.550 -3.554) 7.466 5.685 ( 5.754 -1.847 -6.432) 8.825 5.685 ( 5.754 1.847 -6.432) 8.825 5.808 ( -4.816 -2.104 -2.740) 5.927 5.808 ( -4.816 2.104 -2.740) 5.927 5.871 ( -2.430 -1.552 4.239) 5.127 5.871 ( -2.430 1.552 4.239) 5.127 5.945 ( -4.877 -5.059 -2.037) 7.316 5.945 ( -4.877 5.059 -2.037) 7.316 6.106 ( -6.408 -6.744 -6.159) 11.157 6.106 ( -6.408 6.744 -6.159) 11.157 6.224 ( -2.769 -1.423 -3.478) 4.668 6.224 ( -2.769 1.423 -3.478) 4.668 6.275 ( -4.112 -7.737 -1.015) 8.821 6.275 ( -4.112 7.737 -1.015) 8.821 6.394 ( 1.229 -2.274 3.877) 4.660 6.394 ( 1.229 2.274 3.877) 4.660 6.500 ( 2.064 -2.073 1.134) 3.138 6.500 ( 2.064 2.073 1.134) 3.138 6.718 ( 0.961 -7.955 0.780) 8.050 6.718 ( 0.961 7.955 0.780) 8.050 6.863 ( 1.767 -2.704 3.683) 4.899 6.863 ( 1.767 2.704 3.683) 4.899 7.004 ( 5.194 -5.249 1.014) 7.454 7.004 ( 5.194 5.249 1.014) 7.454 7.125 ( -1.362 -11.767 -0.890) 11.879 7.125 ( -1.362 11.767 -0.890) 11.879 7.204 ( 0.766 -5.297 0.379) 5.365 7.204 ( 0.766 5.297 0.379) 5.365 7.372 ( -0.919 -3.169 -4.086) 5.252 7.372 ( -0.919 3.169 -4.086) 5.252 7.534 ( -1.569 -3.348 -3.731) 5.253 7.534 ( -1.569 3.348 -3.731) 5.253 7.580 ( 1.265 -2.375 3.848) 4.696 7.580 ( 1.265 2.375 3.848) 4.696 7.652 ( -0.584 -3.667 2.864) 4.689 7.652 ( -0.584 3.667 2.864) 4.689 7.807 ( 0.546 -4.188 2.811) 5.074 7.807 ( 0.546 4.188 2.811) 5.074 7.831 ( 0.549 -3.197 2.762) 4.260 7.831 ( 0.549 3.197 2.762) 4.260 8.015 ( -4.486 -4.906 0.467) 6.664 8.015 ( -4.486 4.906 0.467) 6.664 8.114 ( -5.465 -4.734 -4.825) 8.692 8.114 ( -5.465 4.734 -4.825) 8.692 8.273 ( 4.929 -3.479 4.126) 7.309 8.273 ( 4.929 3.479 4.126) 7.309 8.359 ( -5.356 -1.294 -4.216) 6.938 8.359 ( -5.356 1.294 -4.216) 6.938 8.466 ( 0.484 -5.079 -1.210) 5.244 8.466 ( 0.484 5.079 -1.210) 5.244 8.510 ( 0.308 -6.148 -2.703) 6.723 8.510 ( 0.308 6.148 -2.703) 6.723 8.618 ( -1.850 -2.024 -5.105) 5.794 8.618 ( -1.850 2.024 -5.105) 5.794 8.805 ( 4.545 -6.717 0.348) 8.117 8.805 ( 4.545 6.717 0.348) 8.117 9.027 ( -2.162 -4.429 -5.461) 7.356 9.027 ( -2.162 4.429 -5.461) 7.356 9.121 ( -3.157 -4.808 -2.060) 6.110 9.121 ( -3.157 4.808 -2.060) 6.110 9.393 ( -3.660 -0.636 -4.016) 5.471 9.393 ( -3.660 0.636 -4.016) 5.471 9.530 ( -0.021 -3.434 -0.335) 3.451 9.530 ( -0.021 3.434 -0.335) 3.451 9.788 ( -3.049 -4.889 -1.869) 6.057 9.788 ( -3.049 4.889 -1.869) 6.057 10.056 ( -6.091 -11.001 2.612) 12.843 10.056 ( -6.091 11.001 2.612) 12.843 10.183 ( -6.247 -2.692 -4.891) 8.378 10.183 ( -6.247 2.692 -4.891) 8.378 10.461 ( -9.012 -7.927 2.878) 12.342 10.461 ( -9.012 7.927 2.878) 12.342 10.618 ( -5.900 -0.124 0.929) 5.974 10.618 ( -5.900 0.124 0.929) 5.974 11.681 ( -1.608 -2.488 2.183) 3.679 11.681 ( -1.608 2.488 2.183) 3.679 11.766 ( -7.946 -6.645 0.862) 10.394 11.766 ( -7.946 6.645 0.862) 10.394 12.035 ( -7.278 -7.625 3.522) 11.114 12.035 ( -7.278 7.625 3.522) 11.114 12.317 ( 4.389 -4.362 0.367) 6.199 12.317 ( 4.389 4.362 0.367) 6.199 12.475 ( 1.181 -9.376 -1.417) 9.556 12.475 ( 1.181 9.376 -1.417) 9.556 12.545 ( 3.985 -3.187 -2.395) 5.637 12.545 ( 3.985 3.187 -2.395) 5.637 12.932 ( 6.654 -7.679 0.568) 10.177 12.932 ( 6.654 7.679 0.568) 10.177 13.107 ( 5.293 -8.145 -3.688) 10.390 13.107 ( 5.293 8.145 -3.688) 10.390 13.267 ( 2.813 -1.374 -1.321) 3.397 13.267 ( 2.813 1.374 -1.321) 3.397 14.418 ( 4.023 -2.413 -1.320) 4.874 14.418 ( 4.023 2.413 -1.320) 4.874 15.247 ( 5.597 -3.053 -2.187) 6.740 15.247 ( 5.597 3.053 -2.187) 6.740 15.918 ( 1.436 -1.204 -1.907) 2.674 15.918 ( 1.436 1.204 -1.907) 2.674 20.559 ( 0.688 -1.386 1.454) 2.123 20.559 ( 0.688 1.386 1.454) 2.123 20.635 ( 0.253 -0.858 0.561) 1.056 20.635 ( 0.253 0.858 0.561) 1.056 21.631 ( 2.959 -1.799 1.168) 3.655 21.631 ( 2.959 1.799 1.168) 3.655 21.754 ( 2.454 -2.523 1.473) 3.815 21.754 ( 2.454 2.523 1.473) 3.815 21.829 ( 4.157 -0.649 1.749) 4.556 21.829 ( 4.157 0.649 1.749) 4.556 22.380 ( 1.353 -1.414 1.776) 2.643 22.380 ( 1.353 1.414 1.776) 2.643 22.499 ( -0.372 -2.495 1.710) 3.048 22.499 ( -0.372 2.495 1.710) 3.048 22.788 ( 4.320 -0.898 -4.436) 6.257 22.788 ( 4.320 0.898 -4.436) 6.257 23.166 ( -0.350 -1.201 0.201) 1.267 23.166 ( -0.350 1.201 0.201) 1.267 23.668 ( -4.479 -3.133 -4.183) 6.883 23.668 ( -4.479 3.133 -4.183) 6.883 24.060 ( -0.782 -5.642 -4.644) 7.349 24.060 ( -0.782 5.642 -4.644) 7.349 24.689 ( -0.677 -0.654 -3.745) 3.861 24.689 ( -0.677 0.654 -3.745) 3.861 25.327 ( 3.002 -0.725 -2.322) 3.864 25.327 ( 3.002 0.725 -2.322) 3.864 ======================= Grid point 112 (66/104) ======================= q-point: ( 0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 11.892 -11.603 -3.819) 17.048 1.644 ( 11.892 11.603 -3.819) 17.048 2.039 ( 4.247 -12.260 -3.658) 13.481 2.039 ( 4.247 12.260 -3.658) 13.481 2.092 ( 6.056 -12.345 -3.304) 14.142 2.092 ( 6.056 12.345 -3.304) 14.142 2.208 ( 10.579 -2.985 -4.890) 12.031 2.208 ( 10.579 2.985 -4.890) 12.031 2.454 ( 1.865 -8.433 -0.930) 8.687 2.454 ( 1.865 8.433 -0.930) 8.687 2.634 ( 7.299 -18.501 -2.224) 20.013 2.634 ( 7.299 18.501 -2.224) 20.013 2.903 ( 6.243 -2.238 0.718) 6.671 2.903 ( 6.243 2.238 0.718) 6.671 3.095 ( 6.609 -2.162 4.277) 8.163 3.095 ( 6.609 2.162 4.277) 8.163 3.187 ( 4.351 -3.178 -2.733) 6.042 3.187 ( 4.351 3.178 -2.733) 6.042 3.354 ( 2.898 -6.816 1.588) 7.575 3.354 ( 2.898 6.816 1.588) 7.575 3.492 ( 1.837 -2.117 1.465) 3.162 3.492 ( 1.837 2.117 1.465) 3.162 3.644 ( 2.617 -9.848 -0.443) 10.199 3.644 ( 2.617 9.848 -0.443) 10.199 3.804 ( -0.521 -2.457 0.950) 2.685 3.804 ( -0.521 2.457 0.950) 2.685 3.890 ( 4.704 -3.649 3.156) 6.738 3.890 ( 4.704 3.649 3.156) 6.738 4.001 ( 9.309 -4.407 -0.123) 10.300 4.001 ( 9.309 4.407 -0.123) 10.300 4.056 ( 6.309 -1.638 3.782) 7.536 4.056 ( 6.309 1.638 3.782) 7.536 4.198 ( 7.161 -2.393 -2.394) 7.921 4.198 ( 7.161 2.393 -2.394) 7.921 4.253 ( 7.130 -6.212 3.683) 10.149 4.253 ( 7.130 6.212 3.683) 10.149 4.404 ( 4.828 -3.138 -2.145) 6.145 4.404 ( 4.828 3.138 -2.145) 6.145 4.526 ( 8.571 -4.103 -2.400) 9.801 4.526 ( 8.571 4.103 -2.400) 9.801 4.628 ( 6.639 -1.375 -2.885) 7.368 4.628 ( 6.639 1.375 -2.885) 7.368 4.732 ( -1.467 -5.441 2.004) 5.981 4.732 ( -1.467 5.441 2.004) 5.981 4.812 ( -0.968 -2.610 -0.840) 2.908 4.812 ( -0.968 2.610 -0.840) 2.908 4.939 ( 2.833 -4.363 -0.225) 5.207 4.939 ( 2.833 4.363 -0.225) 5.207 5.047 ( 0.784 -3.181 2.934) 4.398 5.047 ( 0.784 3.181 2.934) 4.398 5.106 ( 4.983 -3.361 6.685) 8.990 5.106 ( 4.983 3.361 6.685) 8.990 5.187 ( -1.630 -1.731 -0.133) 2.381 5.187 ( -1.630 1.731 -0.133) 2.381 5.242 ( 0.635 -2.082 2.917) 3.640 5.242 ( 0.635 2.082 2.917) 3.640 5.359 ( 2.752 -1.622 2.244) 3.904 5.359 ( 2.752 1.622 2.244) 3.904 5.464 ( -2.741 -3.979 2.191) 5.306 5.464 ( -2.741 3.979 2.191) 5.306 5.541 ( 0.063 -2.151 -0.231) 2.165 5.541 ( 0.063 2.151 -0.231) 2.165 5.697 ( -6.620 -3.116 0.875) 7.369 5.697 ( -6.620 3.116 0.875) 7.369 5.740 ( -2.280 -4.572 -4.678) 6.927 5.740 ( -2.280 4.572 -4.678) 6.927 5.861 ( 0.577 -2.976 2.151) 3.717 5.861 ( 0.577 2.976 2.151) 3.717 5.931 ( 4.103 -4.979 1.175) 6.558 5.931 ( 4.103 4.979 1.175) 6.558 6.026 ( 1.924 -8.488 -1.940) 8.917 6.026 ( 1.924 8.488 -1.940) 8.917 6.155 ( -0.822 -8.495 -2.389) 8.863 6.155 ( -0.822 8.495 -2.389) 8.863 6.220 ( 4.341 -2.552 -2.481) 5.614 6.220 ( 4.341 2.552 -2.481) 5.614 6.401 ( -0.424 -1.557 -5.329) 5.568 6.401 ( -0.424 1.557 -5.329) 5.568 6.584 ( 3.764 -6.216 1.397) 7.400 6.584 ( 3.764 6.216 1.397) 7.400 6.789 ( 2.508 -6.977 4.675) 8.765 6.789 ( 2.508 6.977 4.675) 8.765 6.918 ( 0.013 -1.816 3.716) 4.136 6.918 ( 0.013 1.816 3.716) 4.136 7.036 ( -3.409 -10.532 -2.095) 11.267 7.036 ( -3.409 10.532 -2.095) 11.267 7.112 ( 3.664 -8.768 -0.252) 9.507 7.112 ( 3.664 8.768 -0.252) 9.507 7.220 ( -0.650 -0.836 2.464) 2.682 7.220 ( -0.650 0.836 2.464) 2.682 7.297 ( -0.394 -7.491 -6.024) 9.621 7.297 ( -0.394 7.491 -6.024) 9.621 7.530 ( 0.424 -6.879 2.494) 7.329 7.530 ( 0.424 6.879 2.494) 7.329 7.595 ( 2.253 -4.560 -0.672) 5.130 7.595 ( 2.253 4.560 -0.672) 5.130 7.691 ( -2.673 -4.613 0.572) 5.362 7.691 ( -2.673 4.613 0.572) 5.362 7.829 ( -1.405 -2.065 3.306) 4.143 7.829 ( -1.405 2.065 3.306) 4.143 7.872 ( -2.679 -7.217 7.617) 10.829 7.872 ( -2.679 7.217 7.617) 10.829 7.974 ( -1.499 -3.473 2.732) 4.666 7.974 ( -1.499 3.473 2.732) 4.666 8.058 ( 1.772 -2.040 2.053) 3.394 8.058 ( 1.772 2.040 2.053) 3.394 8.206 ( -6.129 -1.178 -3.263) 7.043 8.206 ( -6.129 1.178 -3.263) 7.043 8.365 ( -0.130 -3.862 -1.635) 4.196 8.365 ( -0.130 3.862 -1.635) 4.196 8.433 ( -3.115 -5.028 -2.922) 6.597 8.433 ( -3.115 5.028 -2.922) 6.597 8.502 ( 0.688 -2.511 2.382) 3.529 8.502 ( 0.688 2.511 2.382) 3.529 8.600 ( 4.332 -5.754 0.762) 7.243 8.600 ( 4.332 5.754 0.762) 7.243 8.891 ( 0.427 -1.591 1.800) 2.439 8.891 ( 0.427 1.591 1.800) 2.439 8.941 ( -0.179 -6.605 -4.903) 8.228 8.941 ( -0.179 6.605 -4.903) 8.228 9.070 ( -0.135 -1.976 -1.179) 2.305 9.070 ( -0.135 1.976 -1.179) 2.305 9.270 ( -3.463 -3.673 -6.235) 8.022 9.270 ( -3.463 3.673 -6.235) 8.022 9.506 ( -1.400 -1.007 -2.277) 2.856 9.506 ( -1.400 1.007 -2.277) 2.856 9.732 ( -2.307 -5.276 0.771) 5.809 9.732 ( -2.307 5.276 0.771) 5.809 9.956 ( -7.562 -6.983 1.314) 10.377 9.956 ( -7.562 6.983 1.314) 10.377 10.044 ( -4.786 -2.757 -2.924) 6.250 10.044 ( -4.786 2.757 -2.924) 6.250 10.354 ( -6.435 -9.417 1.816) 11.550 10.354 ( -6.435 9.417 1.816) 11.550 10.505 ( -7.346 -0.713 -1.203) 7.478 10.505 ( -7.346 0.713 -1.203) 7.478 11.605 ( -7.773 -5.312 2.230) 9.675 11.605 ( -7.773 5.312 2.230) 9.675 11.719 ( -0.802 -2.108 0.683) 2.356 11.719 ( -0.802 2.108 0.683) 2.356 11.968 ( -5.068 -8.182 4.415) 10.589 11.968 ( -5.068 8.182 4.415) 10.589 12.382 ( 2.654 -7.555 0.925) 8.061 12.382 ( 2.654 7.555 0.925) 8.061 12.513 ( 3.100 -11.789 1.525) 12.285 12.513 ( 3.100 11.789 1.525) 12.285 12.597 ( 4.067 -2.480 -0.672) 4.811 12.597 ( 4.067 2.480 -0.672) 4.811 13.043 ( 5.467 -2.641 1.518) 6.258 13.043 ( 5.467 2.641 1.518) 6.258 13.181 ( 4.559 -4.787 1.216) 6.721 13.181 ( 4.559 4.787 1.216) 6.721 13.332 ( 5.772 -1.079 -0.087) 5.872 13.332 ( 5.772 1.079 -0.087) 5.872 14.495 ( 5.383 -1.295 0.289) 5.544 14.495 ( 5.383 1.295 0.289) 5.544 15.334 ( 6.063 -3.213 -0.505) 6.880 15.334 ( 6.063 3.213 -0.505) 6.880 15.933 ( 1.772 -2.471 -0.658) 3.111 15.933 ( 1.772 2.471 -0.658) 3.111 20.593 ( 1.207 -0.903 2.020) 2.520 20.593 ( 1.207 0.903 2.020) 2.520 20.656 ( 0.923 -0.121 1.610) 1.859 20.656 ( 0.923 0.121 1.610) 1.859 21.692 ( 3.174 -1.669 0.658) 3.646 21.692 ( 3.174 1.669 0.658) 3.646 21.815 ( 2.885 -2.599 1.446) 4.144 21.815 ( 2.885 2.599 1.446) 4.144 21.925 ( 4.651 -0.104 2.468) 5.266 21.925 ( 4.651 0.104 2.468) 5.266 22.401 ( -0.375 -1.792 0.069) 1.832 22.401 ( -0.375 1.792 0.069) 1.832 22.499 ( 0.034 -2.278 -0.116) 2.281 22.499 ( 0.034 2.278 -0.116) 2.281 22.783 ( 2.464 -0.830 -8.541) 8.928 22.783 ( 2.464 0.830 -8.541) 8.928 23.138 ( -1.848 -0.869 -1.987) 2.849 23.138 ( -1.848 0.869 -1.987) 2.849 23.543 ( -5.408 -1.460 -4.521) 7.198 23.543 ( -5.408 1.460 -4.521) 7.198 24.025 ( 0.307 -5.200 -2.044) 5.596 24.025 ( 0.307 5.200 -2.044) 5.596 24.660 ( 0.351 -1.091 -1.596) 1.965 24.660 ( 0.351 1.091 -1.596) 1.965 25.365 ( 3.621 -2.028 -1.082) 4.289 25.365 ( 3.621 2.028 -1.082) 4.289 ======================= Grid point 114 (67/104) ======================= q-point: (-0.60 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 2.886 -13.740 -1.583) 14.129 1.741 ( 2.886 13.740 -1.583) 14.129 2.109 ( 3.263 -9.519 1.386) 10.158 2.109 ( 3.263 9.519 1.386) 10.158 2.143 ( 5.117 -14.008 -1.710) 15.011 2.143 ( 5.117 14.008 -1.710) 15.011 2.298 ( 4.809 -0.829 -1.509) 5.108 2.298 ( 4.809 0.829 -1.509) 5.108 2.465 ( -0.321 -3.078 0.171) 3.100 2.465 ( -0.321 3.078 0.171) 3.100 2.652 ( 1.436 -13.781 -3.838) 14.377 2.652 ( 1.436 13.781 -3.838) 14.377 2.933 ( -4.849 -5.144 2.169) 7.395 2.933 ( -4.849 5.144 2.169) 7.395 3.192 ( 1.069 -2.281 1.198) 2.790 3.192 ( 1.069 2.281 1.198) 2.790 3.308 ( 3.538 -2.900 -0.754) 4.636 3.308 ( 3.538 2.900 -0.754) 4.636 3.406 ( 3.000 -6.687 -1.386) 7.459 3.406 ( 3.000 6.687 -1.386) 7.459 3.551 ( 7.022 -2.939 -0.820) 7.656 3.551 ( 7.022 2.939 -0.820) 7.656 3.679 ( 2.980 -2.980 -0.227) 4.221 3.679 ( 2.980 2.980 -0.227) 4.221 3.806 ( 2.376 -1.997 -0.112) 3.106 3.806 ( 2.376 1.997 -0.112) 3.106 3.935 ( -0.201 -0.694 3.291) 3.370 3.935 ( -0.201 0.694 3.291) 3.370 4.096 ( 2.854 -4.277 -4.154) 6.610 4.096 ( 2.854 4.277 -4.154) 6.610 4.189 ( 6.789 -4.080 -2.899) 8.435 4.189 ( 6.789 4.080 -2.899) 8.435 4.231 ( -0.006 -4.946 -0.657) 4.989 4.231 ( -0.006 4.946 -0.657) 4.989 4.364 ( 2.679 -4.871 -0.746) 5.609 4.364 ( 2.679 4.871 -0.746) 5.609 4.440 ( 3.116 -5.582 -2.349) 6.811 4.440 ( 3.116 5.582 -2.349) 6.811 4.564 ( -8.329 -0.558 -2.462) 8.703 4.564 ( -8.329 0.558 -2.462) 8.703 4.661 ( 1.793 -2.921 -3.917) 5.205 4.661 ( 1.793 2.921 -3.917) 5.205 4.761 ( 4.455 -7.104 2.610) 8.782 4.761 ( 4.455 7.104 2.610) 8.782 4.832 ( 2.578 -1.875 2.361) 3.967 4.832 ( 2.578 1.875 2.361) 3.967 4.964 ( -4.037 -2.034 0.015) 4.520 4.964 ( -4.037 2.034 0.015) 4.520 4.994 ( -0.376 -5.632 -4.109) 6.981 4.994 ( -0.376 5.632 -4.109) 6.981 5.093 ( -2.918 -7.299 -1.686) 8.040 5.093 ( -2.918 7.299 -1.686) 8.040 5.234 ( -1.374 -3.997 -0.480) 4.254 5.234 ( -1.374 3.997 -0.480) 4.254 5.283 ( 3.462 -3.944 3.330) 6.215 5.283 ( 3.462 3.944 3.330) 6.215 5.410 ( 1.053 -2.067 -0.752) 2.439 5.410 ( 1.053 2.067 -0.752) 2.439 5.494 ( -0.537 -4.854 3.175) 5.825 5.494 ( -0.537 4.854 3.175) 5.825 5.619 ( 3.832 -0.738 0.238) 3.910 5.619 ( 3.832 0.738 0.238) 3.910 5.674 ( 2.606 -4.287 0.828) 5.085 5.674 ( 2.606 4.287 0.828) 5.085 5.706 ( 4.772 -4.944 6.902) 9.739 5.706 ( 4.772 4.944 6.902) 9.739 5.846 ( -0.569 -4.397 6.055) 7.505 5.846 ( -0.569 4.397 6.055) 7.505 5.984 ( 6.009 -4.337 5.681) 9.338 5.984 ( 6.009 4.337 5.681) 9.338 6.104 ( 0.347 -6.337 -2.845) 6.955 6.104 ( 0.347 6.337 -2.845) 6.955 6.257 ( 11.556 -2.877 4.032) 12.573 6.257 ( 11.556 2.877 4.032) 12.573 6.337 ( 1.732 -2.168 -3.947) 4.824 6.337 ( 1.732 2.168 -3.947) 4.824 6.362 ( 6.976 -0.446 4.631) 8.385 6.362 ( 6.976 0.446 4.631) 8.385 6.634 ( 2.230 -6.589 -3.254) 7.679 6.634 ( 2.230 6.589 -3.254) 7.679 6.832 ( -1.919 -2.118 2.070) 3.529 6.832 ( -1.919 2.118 2.070) 3.529 6.883 ( -3.341 -0.894 1.927) 3.959 6.883 ( -3.341 0.894 1.927) 3.959 6.968 ( -6.657 -10.372 0.154) 12.326 6.968 ( -6.657 10.372 0.154) 12.326 7.125 ( 1.820 -1.376 -1.661) 2.823 7.125 ( 1.820 1.376 -1.661) 2.823 7.241 ( -2.177 -3.160 0.210) 3.843 7.241 ( -2.177 3.160 0.210) 3.843 7.305 ( 4.779 -3.788 -0.069) 6.098 7.305 ( 4.779 3.788 -0.069) 6.098 7.486 ( -3.222 -3.103 -1.342) 4.670 7.486 ( -3.222 3.103 -1.342) 4.670 7.623 ( -4.212 -5.200 1.388) 6.834 7.623 ( -4.212 5.200 1.388) 6.834 7.670 ( -1.677 -2.257 1.197) 3.056 7.670 ( -1.677 2.257 1.197) 3.056 7.756 ( -5.721 -1.783 -1.274) 6.126 7.756 ( -5.721 1.783 -1.274) 6.126 7.910 ( 1.685 -5.106 5.307) 7.555 7.910 ( 1.685 5.106 5.307) 7.555 7.977 ( -3.088 -5.193 0.217) 6.046 7.977 ( -3.088 5.193 0.217) 6.046 8.104 ( 1.513 -3.327 1.684) 4.025 8.104 ( 1.513 3.327 1.684) 4.025 8.180 ( 2.567 -1.088 1.958) 3.407 8.180 ( 2.567 1.088 1.958) 3.407 8.276 ( -5.229 -3.971 0.995) 6.641 8.276 ( -5.229 3.971 0.995) 6.641 8.381 ( -3.032 -1.763 -0.667) 3.570 8.381 ( -3.032 1.763 -0.667) 3.570 8.504 ( -0.704 -9.359 -1.444) 9.495 8.504 ( -0.704 9.359 -1.444) 9.495 8.733 ( 7.437 -3.988 2.007) 8.674 8.733 ( 7.437 3.988 2.007) 8.674 8.831 ( -4.427 -2.330 0.595) 5.038 8.831 ( -4.427 2.330 0.595) 5.038 8.946 ( 2.775 -2.872 -2.349) 4.634 8.946 ( 2.775 2.872 -2.349) 4.634 9.116 ( 6.418 -10.280 -2.093) 12.299 9.116 ( 6.418 10.280 -2.093) 12.299 9.208 ( 2.368 -8.114 -3.691) 9.223 9.208 ( 2.368 8.114 -3.691) 9.223 9.456 ( 0.091 -2.700 -4.062) 4.878 9.456 ( 0.091 2.700 -4.062) 4.878 9.733 ( -0.002 -3.531 2.174) 4.146 9.733 ( -0.002 3.531 2.174) 4.146 9.855 ( -3.965 -2.716 -0.418) 4.824 9.855 ( -3.965 2.716 -0.418) 4.824 9.977 ( -2.230 -5.359 0.751) 5.853 9.977 ( -2.230 5.359 0.751) 5.853 10.264 ( -5.533 -7.429 -0.304) 9.268 10.264 ( -5.533 7.429 -0.304) 9.268 10.364 ( -5.851 -1.298 -3.563) 6.972 10.364 ( -5.851 1.298 -3.563) 6.972 11.509 ( -5.132 -4.048 0.320) 6.544 11.509 ( -5.132 4.048 0.320) 6.544 11.680 ( -3.239 -2.247 -2.128) 4.480 11.680 ( -3.239 2.247 -2.128) 4.480 11.975 ( -0.851 -6.984 7.889) 10.571 11.975 ( -0.851 6.984 7.889) 10.571 12.432 ( 2.100 -7.923 1.380) 8.311 12.432 ( 2.100 7.923 1.380) 8.311 12.583 ( 2.208 -9.101 2.446) 9.679 12.583 ( 2.208 9.101 2.446) 9.679 12.677 ( 4.223 -1.494 3.024) 5.405 12.677 ( 4.223 1.494 3.024) 5.405 13.154 ( 4.935 -6.128 3.512) 8.617 13.154 ( 4.935 6.128 3.512) 8.617 13.261 ( 1.833 -2.712 3.987) 5.159 13.261 ( 1.833 2.712 3.987) 5.159 13.457 ( 7.145 -3.380 2.415) 8.265 13.457 ( 7.145 3.380 2.415) 8.265 14.594 ( 5.178 -1.194 1.217) 5.452 14.594 ( 5.178 1.194 1.217) 5.452 15.431 ( 5.167 -3.373 0.495) 6.190 15.431 ( 5.167 3.373 0.495) 6.190 15.963 ( 2.126 -2.239 0.127) 3.090 15.963 ( 2.126 2.239 0.127) 3.090 20.634 ( 1.239 -0.217 2.146) 2.488 20.634 ( 1.239 0.217 2.146) 2.488 20.693 ( 1.168 -0.794 2.324) 2.719 20.693 ( 1.168 0.794 2.324) 2.719 21.746 ( 2.618 -1.650 0.127) 3.097 21.746 ( 2.618 1.650 0.127) 3.097 21.872 ( 2.202 -2.487 1.289) 3.563 21.872 ( 2.202 2.487 1.289) 3.563 22.026 ( 3.892 -0.672 3.243) 5.110 22.026 ( 3.892 0.672 3.243) 5.110 22.363 ( -3.030 -0.842 -1.408) 3.446 22.363 ( -3.030 0.842 -1.408) 3.446 22.502 ( 0.772 -0.732 -1.730) 2.031 22.502 ( 0.772 0.732 -1.730) 2.031 22.709 ( 0.507 -1.233 -11.827) 11.902 22.709 ( 0.507 1.233 -11.827) 11.902 23.072 ( -2.964 -0.558 -2.718) 4.060 23.072 ( -2.964 0.558 -2.718) 4.060 23.402 ( -6.201 -0.648 -4.094) 7.458 23.402 ( -6.201 0.648 -4.094) 7.458 24.028 ( 1.573 -4.968 -0.806) 5.273 24.028 ( 1.573 4.968 -0.806) 5.273 24.670 ( 1.965 -1.034 -0.561) 2.290 24.670 ( 1.965 1.034 -0.561) 2.290 25.428 ( 4.526 -2.253 -0.295) 5.064 25.428 ( 4.526 2.253 -0.295) 5.064 ======================= Grid point 116 (68/104) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -0.051 -12.035 -0.888) 12.068 1.746 ( -0.051 12.035 -0.888) 12.068 2.037 ( -8.313 -8.570 -3.077) 12.330 2.037 ( -8.313 8.570 -3.077) 12.330 2.246 ( 2.042 -7.421 7.453) 10.714 2.246 ( 2.042 7.422 7.453) 10.714 2.380 ( -0.088 -2.782 1.665) 3.244 2.380 ( -0.088 2.782 1.665) 3.244 2.501 ( 7.158 -1.922 -1.064) 7.488 2.501 ( 7.158 1.922 -1.064) 7.488 2.652 ( 0.549 -0.938 0.314) 1.131 2.652 ( 0.549 0.938 0.314) 1.131 2.836 ( -7.684 -4.370 2.646) 9.227 2.836 ( -7.684 4.370 2.646) 9.227 3.150 ( -6.434 -6.470 0.623) 9.146 3.150 ( -6.434 6.470 0.623) 9.146 3.248 ( -4.828 -3.575 -4.111) 7.279 3.248 ( -4.828 3.575 -4.111) 7.279 3.410 ( 0.641 -6.684 0.500) 6.734 3.410 ( 0.641 6.684 0.500) 6.734 3.615 ( -0.344 -2.273 -0.390) 2.331 3.615 ( -0.344 2.273 -0.390) 2.331 3.774 ( 0.843 -4.761 1.869) 5.184 3.774 ( 0.843 4.761 1.869) 5.184 3.839 ( 0.780 -1.765 -1.913) 2.717 3.839 ( 0.780 1.765 -1.913) 2.717 3.921 ( -0.142 -2.626 -6.362) 6.885 3.921 ( -0.142 2.626 -6.362) 6.885 4.063 ( -6.904 -5.313 -0.693) 8.739 4.063 ( -6.904 5.313 -0.693) 8.739 4.132 ( -2.612 -0.637 -2.318) 3.550 4.132 ( -2.612 0.637 -2.318) 3.550 4.236 ( -6.501 -5.312 -2.476) 8.752 4.236 ( -6.501 5.312 -2.476) 8.752 4.260 ( -4.455 -3.200 -0.881) 5.555 4.260 ( -4.455 3.200 -0.881) 5.555 4.459 ( -1.990 -5.305 -2.254) 6.098 4.459 ( -1.990 5.305 -2.254) 6.098 4.530 ( 6.107 -2.284 1.674) 6.731 4.530 ( 6.107 2.284 1.674) 6.731 4.639 ( 0.898 -4.262 -1.351) 4.561 4.639 ( 0.898 4.262 -1.351) 4.561 4.727 ( -7.685 -2.519 -3.230) 8.708 4.727 ( -7.685 2.519 -3.230) 8.708 4.766 ( -9.728 -4.555 -1.315) 10.822 4.766 ( -9.728 4.555 -1.315) 10.822 4.897 ( -1.492 -8.124 -2.520) 8.636 4.897 ( -1.492 8.124 -2.520) 8.636 4.969 ( -4.607 -6.846 -2.002) 8.491 4.969 ( -4.607 6.846 -2.002) 8.491 5.073 ( 3.167 -1.475 -1.522) 3.811 5.073 ( 3.167 1.475 -1.522) 3.811 5.223 ( 3.385 -6.176 -1.022) 7.117 5.223 ( 3.385 6.176 -1.022) 7.117 5.293 ( -1.277 -3.901 0.012) 4.105 5.293 ( -1.277 3.901 0.012) 4.105 5.411 ( 2.396 -4.754 -3.628) 6.443 5.411 ( 2.396 4.754 -3.628) 6.443 5.519 ( 2.638 -1.766 0.556) 3.223 5.519 ( 2.638 1.766 0.556) 3.223 5.674 ( 2.763 -3.973 3.690) 6.086 5.674 ( 2.763 3.973 3.690) 6.086 5.779 ( 1.989 -11.942 8.860) 15.002 5.779 ( 1.989 11.942 8.860) 15.002 5.904 ( 9.347 -4.818 4.314) 11.366 5.904 ( 9.347 4.818 4.314) 11.366 6.019 ( 6.121 -2.951 3.104) 7.471 6.019 ( 6.121 2.951 3.104) 7.471 6.126 ( 4.883 -4.955 3.262) 7.683 6.126 ( 4.883 4.955 3.262) 7.683 6.219 ( 6.512 -2.572 7.315) 10.126 6.219 ( 6.512 2.572 7.315) 10.126 6.319 ( 7.252 -1.583 4.623) 8.745 6.319 ( 7.252 1.583 4.623) 8.745 6.483 ( 0.628 -3.638 5.698) 6.789 6.483 ( 0.628 3.638 5.698) 6.789 6.535 ( 6.510 -2.137 7.288) 10.003 6.535 ( 6.510 2.137 7.288) 10.003 6.592 ( 1.423 -2.874 -3.237) 4.557 6.592 ( 1.423 2.874 -3.237) 4.557 6.769 ( -7.141 -9.751 -0.072) 12.086 6.769 ( -7.141 9.751 -0.072) 12.086 6.871 ( -2.627 -1.841 4.692) 5.683 6.871 ( -2.627 1.841 4.692) 5.683 6.907 ( 0.340 -5.047 -0.457) 5.079 6.907 ( 0.340 5.047 -0.457) 5.079 7.027 ( -8.924 -3.448 -2.927) 10.005 7.027 ( -8.924 3.448 -2.927) 10.005 7.236 ( -0.910 -2.898 0.444) 3.069 7.236 ( -0.910 2.898 0.444) 3.069 7.332 ( -4.152 -4.817 1.034) 6.443 7.332 ( -4.152 4.817 1.034) 6.443 7.378 ( -7.025 -1.908 0.556) 7.301 7.378 ( -7.025 1.908 0.556) 7.301 7.541 ( -2.774 -5.560 1.233) 6.335 7.541 ( -2.774 5.560 1.233) 6.335 7.654 ( -0.219 -1.503 0.648) 1.652 7.654 ( -0.219 1.503 0.648) 1.652 7.745 ( 5.188 -3.733 -3.481) 7.278 7.745 ( 5.188 3.733 -3.481) 7.278 7.889 ( -0.064 -5.296 -3.574) 6.389 7.889 ( -0.064 5.296 -3.574) 6.389 7.975 ( -4.810 -1.183 1.609) 5.208 7.975 ( -4.810 1.183 1.609) 5.208 8.085 ( -0.233 -4.631 -0.759) 4.698 8.085 ( -0.233 4.631 -0.759) 4.698 8.242 ( 3.745 -1.590 -0.676) 4.124 8.242 ( 3.745 1.590 -0.676) 4.124 8.278 ( -2.539 -7.982 0.436) 8.387 8.278 ( -2.539 7.982 0.436) 8.387 8.355 ( 3.241 -1.872 5.511) 6.661 8.355 ( 3.241 1.872 5.511) 6.661 8.497 ( 3.177 -2.692 -2.002) 4.621 8.497 ( 3.177 2.692 -2.002) 4.621 8.769 ( -3.578 -4.208 -0.250) 5.529 8.769 ( -3.578 4.208 -0.250) 5.529 8.873 ( 7.316 -2.918 0.841) 7.921 8.873 ( 7.316 2.918 0.841) 7.921 8.968 ( 2.151 -1.470 -3.333) 4.230 8.968 ( 2.151 1.470 -3.333) 4.230 9.189 ( 6.348 -6.512 -6.347) 11.090 9.189 ( 6.348 6.512 -6.347) 11.090 9.286 ( 7.301 -2.468 0.064) 7.707 9.286 ( 7.301 2.468 0.064) 7.707 9.458 ( 4.288 -2.674 -2.681) 5.721 9.458 ( 4.288 2.674 -2.681) 5.721 9.741 ( -0.275 -1.287 0.463) 1.395 9.741 ( -0.275 1.287 0.463) 1.395 9.839 ( 1.878 -2.622 -0.091) 3.227 9.839 ( 1.878 2.622 -0.091) 3.227 9.970 ( 0.175 -5.840 0.618) 5.875 9.970 ( 0.175 5.840 0.618) 5.875 10.166 ( -3.283 -3.516 -2.821) 5.576 10.166 ( -3.283 3.516 -2.821) 5.576 10.264 ( -1.897 -1.150 -3.639) 4.262 10.264 ( -1.897 1.150 -3.639) 4.262 11.444 ( -1.444 -3.194 -1.455) 3.795 11.444 ( -1.444 3.194 -1.455) 3.795 11.601 ( -1.944 -2.967 -3.225) 4.794 11.601 ( -1.944 2.967 -3.225) 4.794 12.057 ( -0.278 -7.270 8.939) 11.525 12.057 ( -0.278 7.270 8.939) 11.525 12.478 ( 1.348 -7.349 1.901) 7.710 12.478 ( 1.348 7.349 1.901) 7.710 12.632 ( 1.157 -6.953 2.280) 7.408 12.632 ( 1.157 6.953 2.280) 7.408 12.784 ( 3.180 -3.073 5.170) 6.804 12.784 ( 3.180 3.073 5.170) 6.804 13.263 ( 2.617 -4.551 4.895) 7.178 13.263 ( 2.617 4.551 4.895) 7.178 13.327 ( 1.399 -1.274 4.556) 4.933 13.327 ( 1.399 1.274 4.556) 4.933 13.586 ( 3.662 -3.542 4.041) 6.503 13.586 ( 3.662 3.542 4.041) 6.503 14.681 ( 3.673 -1.751 0.956) 4.180 14.681 ( 3.673 1.751 0.956) 4.180 15.508 ( 3.257 -3.186 0.360) 4.570 15.508 ( 3.257 3.186 0.360) 4.570 16.004 ( 2.477 -0.220 0.087) 2.488 16.004 ( 2.477 0.220 0.087) 2.488 20.672 ( 0.715 -0.117 1.935) 2.067 20.672 ( 0.715 0.117 1.935) 2.067 20.733 ( 0.963 -0.446 2.103) 2.356 20.733 ( 0.963 0.446 2.103) 2.356 21.778 ( 1.216 -1.572 -0.398) 2.026 21.778 ( 1.216 1.572 -0.398) 2.026 21.910 ( 0.932 -2.249 1.112) 2.676 21.910 ( 0.932 2.249 1.112) 2.676 22.111 ( 2.242 -1.119 3.440) 4.256 22.111 ( 2.242 1.119 3.440) 4.256 22.288 ( -4.015 -0.372 -1.188) 4.203 22.288 ( -4.015 0.372 -1.188) 4.203 22.462 ( -2.230 -0.810 -5.785) 6.253 22.462 ( -2.230 0.810 -5.785) 6.253 22.591 ( -0.037 -2.228 -12.245) 12.446 22.591 ( -0.037 2.228 -12.245) 12.446 22.999 ( -3.106 -0.398 -1.382) 3.423 22.999 ( -3.106 0.398 -1.382) 3.423 23.270 ( -5.866 -0.399 -1.166) 5.995 23.270 ( -5.866 0.399 -1.166) 5.995 24.060 ( 3.084 -4.780 -0.721) 5.734 24.060 ( 3.084 4.780 -0.721) 5.734 24.713 ( 3.900 -1.037 -0.812) 4.117 24.713 ( 3.900 1.037 -0.812) 4.117 25.506 ( 5.163 -1.536 -0.856) 5.454 25.506 ( 5.163 1.536 -0.856) 5.454 ======================= Grid point 118 (69/104) ======================= q-point: (-0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -5.230 -11.188 4.366) 13.099 1.722 ( -5.230 11.188 4.366) 13.099 1.903 ( -8.412 -7.956 7.692) 13.900 1.903 ( -8.412 7.956 7.692) 13.900 2.225 ( -12.094 -1.192 -3.115) 12.546 2.225 ( -12.094 1.192 -3.115) 12.546 2.308 ( -5.837 -13.866 7.510) 16.815 2.308 ( -5.837 13.866 7.510) 16.815 2.632 ( 5.208 -5.172 0.078) 7.340 2.632 ( 5.208 5.172 0.078) 7.340 2.676 ( 0.530 -1.768 -1.618) 2.455 2.676 ( 0.530 1.768 -1.618) 2.455 2.787 ( -0.594 -2.148 5.674) 6.096 2.787 ( -0.594 2.148 5.674) 6.096 3.009 ( -7.279 -1.088 -0.401) 7.371 3.009 ( -7.279 1.088 -0.401) 7.371 3.185 ( -0.086 -3.677 -2.696) 4.560 3.185 ( -0.086 3.677 -2.696) 4.560 3.390 ( -9.173 -2.089 1.792) 9.577 3.390 ( -9.173 2.089 1.792) 9.577 3.516 ( -11.622 -4.993 -0.645) 12.665 3.516 ( -11.622 4.993 -0.645) 12.665 3.655 ( -10.472 -1.006 -1.298) 10.600 3.655 ( -10.472 1.006 -1.298) 10.600 3.717 ( -10.234 -1.701 -1.747) 10.521 3.717 ( -10.234 1.701 -1.747) 10.521 3.895 ( -4.006 -3.513 -6.624) 8.501 3.895 ( -4.006 3.513 -6.624) 8.501 3.924 ( -8.007 -5.239 -2.827) 9.977 3.924 ( -8.007 5.239 -2.827) 9.977 3.980 ( -0.661 -2.856 -3.403) 4.491 3.980 ( -0.661 2.856 -3.403) 4.491 4.128 ( -10.337 -9.641 2.850) 14.420 4.128 ( -10.337 9.641 2.850) 14.420 4.191 ( -5.261 -0.847 2.293) 5.802 4.191 ( -5.261 0.847 2.293) 5.802 4.358 ( -5.788 -4.768 -4.397) 8.693 4.358 ( -5.788 4.768 -4.397) 8.693 4.375 ( -14.880 -3.293 -2.638) 15.467 4.375 ( -14.880 3.293 -2.638) 15.467 4.565 ( -6.336 -3.709 -4.310) 8.514 4.565 ( -6.336 3.709 -4.310) 8.514 4.700 ( 3.193 -3.026 1.074) 4.529 4.700 ( 3.193 3.026 1.074) 4.529 4.778 ( 5.328 -3.818 1.753) 6.785 4.778 ( 5.328 3.818 1.753) 6.785 4.887 ( 3.293 -3.110 4.544) 6.416 4.887 ( 3.293 3.110 4.544) 6.416 4.940 ( -0.177 -4.349 1.864) 4.735 4.940 ( -0.177 4.349 1.864) 4.735 5.073 ( -0.673 -4.235 -2.765) 5.102 5.073 ( -0.673 4.235 -2.765) 5.102 5.207 ( 1.208 -7.417 -1.780) 7.723 5.207 ( 1.208 7.417 -1.780) 7.723 5.354 ( -4.663 -3.926 -1.500) 6.278 5.354 ( -4.663 3.926 -1.500) 6.278 5.406 ( 7.636 -2.186 1.858) 8.158 5.406 ( 7.636 2.186 1.858) 8.158 5.591 ( 1.873 -3.805 -0.869) 4.329 5.591 ( 1.873 3.805 -0.869) 4.329 5.734 ( 4.897 -12.379 -0.396) 13.318 5.734 ( 4.897 12.379 -0.396) 13.318 5.886 ( -1.384 -9.303 -0.302) 9.411 5.886 ( -1.384 9.303 -0.302) 9.411 5.971 ( -3.736 -1.991 3.536) 5.516 5.971 ( -3.736 1.991 3.536) 5.516 6.066 ( -3.456 -3.232 3.680) 5.994 6.066 ( -3.456 3.232 3.680) 5.994 6.187 ( 6.056 -3.015 1.579) 6.947 6.187 ( 6.056 3.015 1.579) 6.947 6.348 ( -7.791 -0.948 0.990) 7.911 6.348 ( -7.791 0.948 0.990) 7.911 6.430 ( -3.544 -0.490 0.284) 3.589 6.430 ( -3.544 0.490 0.284) 3.589 6.538 ( 5.357 -11.776 -1.638) 13.040 6.538 ( 5.357 11.776 -1.638) 13.040 6.637 ( 7.926 -3.615 7.541) 11.522 6.637 ( 7.926 3.615 7.541) 11.522 6.682 ( -0.240 -0.879 6.631) 6.694 6.682 ( -0.240 0.879 6.631) 6.694 6.699 ( -3.354 -2.780 3.475) 5.573 6.699 ( -3.354 2.780 3.475) 5.573 6.864 ( -3.374 -5.648 5.690) 8.699 6.864 ( -3.374 5.648 5.690) 8.699 6.884 ( 2.733 -5.168 0.285) 5.853 6.884 ( 2.733 5.168 0.285) 5.853 6.991 ( 2.704 -4.970 4.223) 7.060 6.991 ( 2.704 4.970 4.223) 7.060 7.135 ( -5.967 -3.181 0.220) 6.765 7.135 ( -5.967 3.181 0.220) 6.765 7.312 ( 0.746 -2.941 4.186) 5.170 7.312 ( 0.746 2.941 4.186) 5.170 7.362 ( 1.739 -6.861 -2.056) 7.370 7.362 ( 1.739 6.861 -2.056) 7.370 7.521 ( -2.248 -4.319 3.269) 5.865 7.521 ( -2.248 4.319 3.269) 5.865 7.643 ( -0.948 -1.996 -1.446) 2.641 7.643 ( -0.948 1.996 -1.446) 2.641 7.791 ( 2.699 -0.920 -5.570) 6.258 7.791 ( 2.699 0.920 -5.570) 6.258 7.869 ( 3.094 -4.671 -0.917) 5.677 7.869 ( 3.094 4.671 -0.917) 5.677 7.946 ( 3.637 -4.225 -3.182) 6.419 7.946 ( 3.637 4.225 -3.182) 6.419 8.117 ( 1.659 -4.854 3.338) 6.120 8.117 ( 1.659 4.854 3.338) 6.120 8.248 ( 1.315 -3.995 0.248) 4.213 8.248 ( 1.315 3.995 0.248) 4.213 8.322 ( 5.401 -4.513 -1.780) 7.260 8.322 ( 5.401 4.513 -1.780) 7.260 8.427 ( 2.584 -6.034 -1.716) 6.785 8.427 ( 2.584 6.034 -1.716) 6.785 8.581 ( 3.839 -3.988 1.026) 5.630 8.581 ( 3.839 3.988 1.026) 5.630 8.715 ( -0.814 -8.256 0.556) 8.314 8.715 ( -0.814 8.256 0.556) 8.314 8.939 ( 0.300 -1.100 -4.977) 5.106 8.939 ( 0.300 1.100 -4.977) 5.106 8.990 ( 4.080 -4.271 0.366) 5.918 8.990 ( 4.080 4.271 0.366) 5.918 9.212 ( 3.737 -5.796 -6.975) 9.808 9.212 ( 3.737 5.796 -6.975) 9.808 9.394 ( 7.114 -3.480 -2.472) 8.297 9.394 ( 7.114 3.480 -2.472) 8.297 9.522 ( 4.955 -4.878 -2.840) 7.511 9.522 ( 4.955 4.878 -2.840) 7.511 9.752 ( 1.071 -4.069 0.160) 4.211 9.752 ( 1.071 4.069 0.160) 4.211 9.882 ( 2.659 -6.215 -0.820) 6.810 9.882 ( 2.659 6.215 -0.820) 6.810 10.003 ( 4.720 -2.289 -0.364) 5.259 10.003 ( 4.720 2.289 -0.364) 5.259 10.138 ( 4.040 -2.099 -3.363) 5.660 10.138 ( 4.040 2.099 -3.363) 5.660 10.232 ( 1.820 -2.896 -2.253) 4.096 10.232 ( 1.820 2.896 -2.253) 4.096 11.453 ( 4.527 -2.198 -1.162) 5.165 11.453 ( 4.527 2.198 -1.162) 5.165 11.583 ( 2.946 -2.623 -1.489) 4.216 11.583 ( 2.946 2.623 -1.489) 4.216 12.107 ( -3.101 -8.556 6.838) 11.383 12.107 ( -3.101 8.556 6.838) 11.383 12.505 ( -0.081 -7.169 1.259) 7.279 12.505 ( -0.081 7.169 1.259) 7.279 12.664 ( -0.035 -6.815 1.694) 7.023 12.664 ( -0.035 6.815 1.694) 7.023 12.862 ( 0.818 -5.310 3.263) 6.286 12.862 ( 0.818 5.310 3.263) 6.286 13.318 ( -0.750 -2.526 2.900) 3.919 13.318 ( -0.750 2.526 2.900) 3.919 13.387 ( 0.258 -1.273 3.886) 4.097 13.387 ( 0.258 1.273 3.886) 4.097 13.639 ( -1.832 -2.091 3.554) 4.512 13.639 ( -1.832 2.091 3.554) 4.512 14.727 ( 1.452 -2.635 -0.605) 3.069 14.727 ( 1.452 2.635 -0.605) 3.069 15.540 ( 0.808 -2.518 -0.972) 2.817 15.540 ( 0.808 2.518 -0.972) 2.817 16.043 ( 2.374 -2.737 -0.784) 3.707 16.043 ( 2.374 2.737 -0.784) 3.707 20.687 ( -0.739 -0.596 1.003) 1.381 20.687 ( -0.739 0.596 1.003) 1.381 20.763 ( 0.828 -1.123 1.002) 1.717 20.763 ( 0.828 1.123 1.002) 1.717 21.771 ( -1.427 -0.742 -1.319) 2.080 21.771 ( -1.427 0.742 -1.319) 2.080 21.927 ( -0.250 -2.460 1.497) 2.890 21.927 ( -0.250 2.460 1.497) 2.890 22.149 ( -1.043 -0.428 0.211) 1.148 22.149 ( -1.043 0.428 0.211) 1.148 22.212 ( -4.121 -0.216 0.037) 4.127 22.212 ( -4.121 0.216 0.037) 4.127 22.325 ( -4.555 -3.079 -7.254) 9.102 22.325 ( -4.555 3.079 -7.254) 9.102 22.487 ( -0.756 -3.621 -8.478) 9.250 22.487 ( -0.756 3.621 -8.478) 9.250 22.951 ( -2.103 -0.349 0.861) 2.299 22.951 ( -2.103 0.349 0.861) 2.299 23.210 ( -2.514 -1.094 4.644) 5.393 23.210 ( -2.514 1.094 4.644) 5.393 24.116 ( 4.951 -5.265 -1.660) 7.415 24.116 ( 4.951 5.265 -1.660) 7.415 24.780 ( 5.687 -4.306 -2.334) 7.506 24.780 ( 5.687 4.306 -2.334) 7.506 25.573 ( 4.676 -0.448 -3.060) 5.606 25.573 ( 4.676 0.448 -3.060) 5.606 ======================= Grid point 120 (70/104) ======================= q-point: (-0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -10.347 -2.740 5.806) 12.177 1.641 ( -10.347 2.740 5.806) 12.177 1.865 ( -15.241 -1.853 16.311) 22.400 1.865 ( -15.241 1.853 16.311) 22.400 2.021 ( -7.085 -20.050 10.742) 23.824 2.021 ( -7.085 20.050 10.742) 23.824 2.318 ( -3.840 -11.557 12.604) 17.527 2.318 ( -3.840 11.557 12.604) 17.527 2.554 ( -6.757 -0.480 -7.773) 10.310 2.554 ( -6.757 0.480 -7.773) 10.310 2.682 ( -6.493 -6.111 -5.592) 10.526 2.682 ( -6.493 6.111 -5.592) 10.526 2.755 ( -8.289 -7.922 0.255) 11.469 2.755 ( -8.289 7.922 0.255) 11.469 2.959 ( -1.382 -1.741 -0.384) 2.256 2.959 ( -1.382 1.741 -0.384) 2.256 3.092 ( -17.690 -6.116 1.019) 18.745 3.092 ( -17.690 6.116 1.019) 18.745 3.141 ( -4.565 -2.281 0.129) 5.105 3.141 ( -4.565 2.281 0.129) 5.105 3.268 ( -14.460 -3.799 1.677) 15.045 3.268 ( -14.460 3.799 1.677) 15.045 3.437 ( -15.692 -0.432 -4.226) 16.257 3.437 ( -15.692 0.432 -4.226) 16.257 3.555 ( -8.195 -0.301 3.832) 9.051 3.555 ( -8.195 0.301 3.832) 9.051 3.683 ( -10.616 -1.227 -7.335) 12.962 3.683 ( -10.616 1.227 -7.335) 12.962 3.774 ( -5.290 -1.016 -2.678) 6.016 3.774 ( -5.290 1.016 -2.678) 6.016 3.918 ( -2.860 -3.823 -0.249) 4.781 3.918 ( -2.860 3.823 -0.249) 4.781 4.077 ( -2.636 -10.060 7.609) 12.886 4.077 ( -2.636 10.060 7.609) 12.886 4.122 ( -6.074 -6.619 -1.633) 9.131 4.122 ( -6.074 6.619 -1.633) 9.131 4.216 ( -2.054 -4.751 4.099) 6.603 4.216 ( -2.054 4.751 4.099) 6.603 4.329 ( 4.546 -4.373 -3.833) 7.381 4.329 ( 4.546 4.373 -3.833) 7.381 4.439 ( -5.834 -4.743 0.556) 7.539 4.439 ( -5.834 4.743 0.556) 7.539 4.649 ( -5.690 -5.825 0.056) 8.143 4.649 ( -5.690 5.825 0.056) 8.143 4.827 ( -0.718 -4.114 -2.183) 4.713 4.827 ( -0.718 4.114 -2.183) 4.713 4.919 ( -4.911 -5.350 0.972) 7.327 4.919 ( -4.911 5.350 0.972) 7.327 4.974 ( -4.098 -2.590 1.323) 5.025 4.974 ( -4.098 2.590 1.323) 5.025 5.091 ( 3.507 -8.199 2.099) 9.161 5.091 ( 3.507 8.199 2.099) 9.161 5.227 ( 1.931 -1.998 2.360) 3.646 5.227 ( 1.931 1.998 2.360) 3.646 5.330 ( 4.027 -6.204 -0.084) 7.397 5.330 ( 4.027 6.204 -0.084) 7.397 5.479 ( -4.001 -4.709 3.432) 7.068 5.479 ( -4.001 4.709 3.432) 7.068 5.575 ( -1.048 -3.191 -1.141) 3.547 5.575 ( -1.048 3.191 -1.141) 3.547 5.710 ( -10.128 -2.976 -3.920) 11.260 5.710 ( -10.128 2.976 -3.920) 11.260 5.831 ( 2.119 -9.923 -2.484) 10.446 5.831 ( 2.119 9.923 -2.484) 10.446 5.893 ( -2.849 -3.376 -3.400) 5.574 5.893 ( -2.849 3.376 -3.400) 5.574 5.982 ( -9.866 -5.198 -2.426) 11.413 5.982 ( -9.866 5.198 -2.426) 11.413 6.166 ( -10.788 -3.460 3.823) 11.957 6.166 ( -10.788 3.460 3.823) 11.957 6.261 ( -0.661 -3.474 -0.182) 3.541 6.261 ( -0.661 3.474 -0.182) 3.541 6.360 ( 4.903 -2.923 0.414) 5.723 6.360 ( 4.903 2.923 0.414) 5.723 6.559 ( -2.799 -4.926 -3.064) 6.441 6.559 ( -2.799 4.926 -3.064) 6.441 6.648 ( 0.632 -2.211 -2.474) 3.377 6.648 ( 0.632 2.211 -2.474) 3.377 6.749 ( 3.222 -3.054 2.422) 5.057 6.749 ( 3.222 3.054 2.422) 5.057 6.833 ( -3.986 -0.625 2.827) 4.927 6.833 ( -3.986 0.625 2.827) 4.927 6.885 ( 5.176 -6.200 2.454) 8.442 6.885 ( 5.176 6.200 2.454) 8.442 6.951 ( 0.697 -5.059 5.298) 7.358 6.951 ( 0.697 5.059 5.298) 7.358 7.126 ( 8.591 -7.410 1.909) 11.504 7.126 ( 8.591 7.410 1.909) 11.504 7.141 ( 3.076 -3.105 3.241) 5.441 7.141 ( 3.076 3.105 3.241) 5.441 7.298 ( -0.376 -5.470 -0.643) 5.520 7.298 ( -0.376 5.470 -0.643) 5.520 7.426 ( 2.676 -7.188 3.647) 8.493 7.426 ( 2.676 7.188 3.647) 8.493 7.555 ( 1.477 -1.829 1.699) 2.900 7.555 ( 1.477 1.829 1.699) 2.900 7.639 ( 1.980 -3.818 -0.714) 4.360 7.639 ( 1.980 3.818 -0.714) 4.360 7.739 ( -1.945 -3.550 -2.179) 4.597 7.739 ( -1.945 3.550 -2.179) 4.597 7.941 ( 0.488 -3.715 -2.312) 4.403 7.941 ( 0.488 3.715 -2.312) 4.403 8.005 ( 9.050 -1.287 -0.425) 9.151 8.005 ( 9.050 1.287 -0.425) 9.151 8.194 ( 3.332 -3.593 0.936) 4.989 8.194 ( 3.332 3.593 0.936) 4.989 8.280 ( 2.096 -3.531 -2.443) 4.778 8.280 ( 2.096 3.531 -2.443) 4.778 8.364 ( 2.104 -3.171 -2.430) 4.515 8.364 ( 2.104 3.171 -2.430) 4.515 8.470 ( 3.458 -2.246 -0.779) 4.196 8.470 ( 3.458 2.246 -0.779) 4.196 8.596 ( 1.833 -2.539 0.488) 3.169 8.596 ( 1.833 2.539 0.488) 3.169 8.785 ( 5.253 -3.340 -0.436) 6.240 8.785 ( 5.253 3.340 -0.436) 6.240 8.886 ( -0.474 -1.835 -3.565) 4.038 8.886 ( -0.474 1.835 -3.565) 4.038 9.003 ( -0.799 -5.805 -1.441) 6.034 9.003 ( -0.799 5.805 -1.441) 6.034 9.214 ( 3.736 -6.488 -4.695) 8.837 9.214 ( 3.736 6.488 -4.695) 8.837 9.458 ( 2.968 -7.055 -1.777) 7.857 9.458 ( 2.968 7.055 -1.777) 7.857 9.578 ( 7.063 -5.071 -6.637) 10.939 9.578 ( 7.063 5.071 -6.637) 10.939 9.783 ( 2.726 -6.740 0.929) 7.330 9.783 ( 2.726 6.740 0.929) 7.330 9.894 ( 0.440 -6.554 -1.576) 6.755 9.894 ( 0.440 6.554 -1.576) 6.755 10.100 ( 5.240 -4.366 1.495) 6.982 10.100 ( 5.240 4.366 1.495) 6.982 10.227 ( 6.247 -1.150 -0.794) 6.402 10.227 ( 6.247 1.150 -0.794) 6.402 10.321 ( 12.767 -3.124 -1.521) 13.232 10.321 ( 12.767 3.124 -1.521) 13.232 11.577 ( 10.011 -0.185 0.293) 10.017 11.577 ( 10.011 0.185 0.293) 10.017 11.665 ( 6.841 -1.466 0.320) 7.003 11.665 ( 6.841 1.466 0.320) 7.003 12.094 ( -4.092 -9.640 4.468) 11.386 12.094 ( -4.092 9.640 4.468) 11.386 12.498 ( -1.247 -7.544 -0.225) 7.650 12.498 ( -1.247 7.544 -0.225) 7.650 12.645 ( -3.099 -5.763 -1.083) 6.632 12.645 ( -3.099 5.763 -1.083) 6.632 12.857 ( -2.807 -5.864 -1.261) 6.622 12.857 ( -2.807 5.864 -1.261) 6.622 13.287 ( -4.186 -1.770 -0.980) 4.649 13.287 ( -4.186 1.770 -0.980) 4.649 13.376 ( -3.940 -2.165 -1.387) 4.705 13.376 ( -3.940 2.165 -1.387) 4.705 13.610 ( -4.366 -1.358 3.054) 5.498 13.610 ( -4.366 1.358 3.054) 5.498 14.713 ( -1.038 -3.744 -3.133) 4.991 14.713 ( -1.038 3.744 -3.133) 4.991 15.513 ( -1.824 -1.740 -3.153) 4.037 15.513 ( -1.824 1.740 -3.153) 4.037 16.062 ( 1.348 -5.083 -2.228) 5.712 16.062 ( 1.348 5.083 -2.228) 5.712 20.666 ( -2.031 -1.728 -0.236) 2.677 20.666 ( -2.031 1.728 -0.236) 2.677 20.776 ( 0.331 -2.734 -0.717) 2.846 20.776 ( 0.331 2.734 -0.717) 2.846 21.701 ( -4.556 -0.670 -2.200) 5.103 21.701 ( -4.556 0.670 -2.200) 5.103 21.922 ( -2.753 -1.954 1.597) 3.735 21.922 ( -2.753 1.954 1.597) 3.735 22.044 ( -5.781 -0.626 -7.251) 9.295 22.044 ( -5.781 0.626 -7.251) 9.295 22.165 ( -2.573 -0.357 2.540) 3.633 22.165 ( -2.573 0.357 2.540) 3.633 22.236 ( -2.587 -2.197 0.318) 3.409 22.236 ( -2.587 2.197 0.318) 3.409 22.420 ( -0.830 -3.477 -1.394) 3.836 22.420 ( -0.830 3.477 -1.394) 3.836 22.943 ( -0.978 -0.356 2.620) 2.819 22.943 ( -0.978 0.356 2.620) 2.819 23.292 ( 4.293 -3.931 9.438) 11.088 23.292 ( 4.293 3.931 9.438) 11.088 24.191 ( 6.939 -7.178 -3.764) 10.669 24.191 ( 6.939 7.178 -3.764) 10.669 24.851 ( 6.538 -7.176 -4.918) 10.882 24.851 ( 6.538 7.176 -4.918) 10.882 25.589 ( 2.018 -0.683 -6.276) 6.628 25.589 ( 2.018 0.683 -6.276) 6.628 ======================= Grid point 122 (71/104) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -8.192 -16.858 5.640) 19.574 1.529 ( -8.192 16.858 5.640) 19.574 1.748 ( -12.735 -21.374 10.889) 27.159 1.748 ( -12.735 21.374 10.889) 27.159 1.980 ( -24.708 -14.376 5.224) 29.059 1.980 ( -24.708 14.376 5.224) 29.059 2.284 ( -11.720 -1.492 1.635) 11.927 2.284 ( -11.720 1.492 1.635) 11.927 2.402 ( -7.778 -10.759 19.822) 23.857 2.402 ( -7.778 10.759 19.822) 23.857 2.443 ( -7.179 -5.466 6.509) 11.126 2.443 ( -7.179 5.466 6.509) 11.126 2.614 ( -13.893 -2.577 -3.046) 14.455 2.614 ( -13.893 2.577 -3.046) 14.455 2.721 ( -15.717 -2.030 0.416) 15.853 2.721 ( -15.717 2.030 0.416) 15.853 2.921 ( -3.284 -8.760 -4.552) 10.404 2.921 ( -3.284 8.760 -4.552) 10.404 3.058 ( -6.188 -9.892 2.339) 11.900 3.058 ( -6.188 9.892 2.339) 11.900 3.185 ( -1.254 -2.563 -1.204) 3.097 3.185 ( -1.254 2.563 -1.204) 3.097 3.246 ( -3.300 -10.258 6.385) 12.526 3.246 ( -3.300 10.258 6.385) 12.526 3.477 ( -3.519 -2.961 0.185) 4.602 3.477 ( -3.519 2.961 0.185) 4.602 3.497 ( -7.056 -0.367 1.831) 7.299 3.497 ( -7.056 0.367 1.831) 7.299 3.714 ( -0.495 -1.829 -3.214) 3.731 3.714 ( -0.495 1.829 -3.214) 3.731 3.890 ( -0.641 -8.136 -0.359) 8.169 3.890 ( -0.641 8.136 -0.359) 8.169 4.029 ( -3.551 -2.279 -0.963) 4.328 4.029 ( -3.551 2.279 -0.963) 4.328 4.098 ( -2.731 -4.746 5.748) 7.939 4.098 ( -2.731 4.746 5.748) 7.939 4.194 ( -5.020 -1.849 2.770) 6.025 4.194 ( -5.020 1.849 2.770) 6.025 4.318 ( -4.981 -0.493 -5.130) 7.167 4.318 ( -4.981 0.493 -5.130) 7.167 4.429 ( 3.191 -1.217 3.992) 5.254 4.429 ( 3.191 1.217 3.992) 5.254 4.611 ( -2.546 -4.459 2.222) 5.595 4.611 ( -2.546 4.459 2.222) 5.595 4.738 ( -4.774 -4.668 -2.979) 7.311 4.738 ( -4.774 4.668 -2.979) 7.311 4.804 ( -7.810 -1.828 0.918) 8.073 4.804 ( -7.810 1.828 0.918) 8.073 4.893 ( -1.862 -2.459 0.085) 3.085 4.893 ( -1.862 2.459 0.085) 3.085 5.074 ( -10.877 -2.252 -0.021) 11.108 5.074 ( -10.877 2.252 -0.021) 11.108 5.253 ( -0.516 -5.634 2.213) 6.075 5.253 ( -0.516 5.634 2.213) 6.075 5.381 ( -6.914 -4.047 2.146) 8.294 5.381 ( -6.914 4.047 2.146) 8.294 5.417 ( -0.309 -7.121 2.392) 7.519 5.417 ( -0.309 7.121 2.392) 7.519 5.472 ( -9.996 -8.161 -1.343) 12.974 5.472 ( -9.996 8.161 -1.343) 12.974 5.553 ( -0.133 -2.590 -1.311) 2.905 5.553 ( -0.133 2.590 -1.311) 2.905 5.730 ( -0.588 -2.414 -3.641) 4.408 5.730 ( -0.588 2.414 -3.641) 4.408 5.813 ( -7.033 -2.742 -0.519) 7.566 5.813 ( -7.033 2.742 -0.519) 7.566 5.973 ( 5.719 -12.522 -2.584) 14.006 5.973 ( 5.719 12.522 -2.584) 14.006 6.114 ( 0.421 -7.593 1.175) 7.695 6.114 ( 0.421 7.593 1.175) 7.695 6.232 ( -1.615 -5.265 -3.414) 6.480 6.232 ( -1.615 5.265 -3.414) 6.480 6.408 ( 2.356 -9.184 -4.947) 10.694 6.408 ( 2.356 9.184 -4.947) 10.694 6.521 ( 0.161 -3.237 -1.319) 3.499 6.521 ( 0.161 3.237 -1.319) 3.499 6.607 ( 1.215 -3.662 -7.109) 8.088 6.607 ( 1.215 3.662 -7.109) 8.088 6.746 ( -3.693 -4.454 1.527) 5.985 6.746 ( -3.693 4.454 1.527) 5.985 6.797 ( 0.328 -3.740 1.185) 3.937 6.797 ( 0.328 3.740 1.185) 3.937 6.957 ( 2.691 -1.919 -1.113) 3.488 6.957 ( 2.691 1.919 -1.113) 3.488 7.012 ( 2.391 -2.355 1.380) 3.629 7.012 ( 2.391 2.355 1.380) 3.629 7.210 ( 1.533 -8.393 2.504) 8.892 7.210 ( 1.533 8.393 2.504) 8.892 7.244 ( 3.386 -1.127 0.328) 3.584 7.244 ( 3.386 1.127 0.328) 3.584 7.366 ( 6.009 -3.833 -1.136) 7.218 7.366 ( 6.009 3.833 -1.136) 7.218 7.479 ( 0.566 -3.956 0.580) 4.038 7.479 ( 0.566 3.956 0.580) 4.038 7.551 ( -2.414 -6.575 -0.894) 7.061 7.551 ( -2.414 6.575 -0.894) 7.061 7.613 ( -3.264 -1.002 -0.261) 3.425 7.613 ( -3.264 1.002 -0.261) 3.425 7.756 ( 2.509 -2.797 1.382) 4.004 7.756 ( 2.509 2.797 1.382) 4.004 7.908 ( -2.405 -1.262 -1.397) 3.055 7.908 ( -2.405 1.262 -1.397) 3.055 8.105 ( 2.217 -0.558 -6.019) 6.438 8.105 ( 2.217 0.558 -6.019) 6.438 8.178 ( -0.542 -3.750 1.268) 3.996 8.178 ( -0.542 3.750 1.268) 3.996 8.285 ( 1.267 -3.572 -1.965) 4.269 8.285 ( 1.267 3.572 -1.965) 4.269 8.421 ( 2.948 -5.130 0.241) 5.922 8.421 ( 2.948 5.130 0.241) 5.922 8.499 ( 3.667 -7.577 0.472) 8.431 8.499 ( 3.667 7.577 0.472) 8.431 8.662 ( 3.420 -9.890 0.209) 10.467 8.662 ( 3.420 9.890 0.209) 10.467 8.797 ( 0.901 -9.656 -4.396) 10.648 8.797 ( 0.901 9.656 -4.396) 10.648 8.916 ( 4.104 -1.355 -1.539) 4.588 8.916 ( 4.104 1.355 -1.539) 4.588 9.005 ( 2.139 -6.776 2.515) 7.538 9.005 ( 2.139 6.776 2.515) 7.538 9.253 ( 4.506 -6.639 -2.090) 8.292 9.253 ( 4.506 6.639 -2.090) 8.292 9.496 ( 3.350 -7.838 -2.183) 8.799 9.496 ( 3.350 7.838 -2.183) 8.799 9.579 ( 2.178 -4.225 -10.211) 11.264 9.579 ( 2.178 4.225 -10.211) 11.264 9.863 ( 2.994 -2.139 -0.591) 3.727 9.863 ( 2.994 2.139 -0.591) 3.727 9.897 ( 3.401 -2.175 1.660) 4.365 9.897 ( 3.401 2.175 1.660) 4.365 10.209 ( 4.995 -5.644 3.366) 8.255 10.209 ( 4.995 5.644 3.366) 8.255 10.323 ( 5.165 -3.609 1.679) 6.520 10.323 ( 5.165 3.609 1.679) 6.520 10.570 ( 15.998 -0.734 -1.427) 16.078 10.570 ( 15.998 0.734 -1.427) 16.078 11.711 ( 2.703 -1.934 -0.067) 3.324 11.711 ( 2.703 1.934 -0.067) 3.324 11.820 ( 11.359 -0.167 0.615) 11.377 11.820 ( 11.359 0.167 0.615) 11.377 12.092 ( 0.904 -9.029 2.508) 9.415 12.092 ( 0.904 9.029 2.508) 9.415 12.465 ( -2.419 -8.617 -1.868) 9.143 12.465 ( -2.419 8.617 -1.868) 9.143 12.544 ( -4.409 -4.110 -2.839) 6.662 12.544 ( -4.409 4.110 -2.839) 6.662 12.749 ( -5.849 -3.583 -5.216) 8.617 12.749 ( -5.849 3.583 -5.216) 8.617 13.146 ( -8.921 -0.540 -6.303) 10.936 13.146 ( -8.921 0.540 -6.303) 10.936 13.248 ( -6.406 -1.798 -3.801) 7.663 13.248 ( -6.406 1.798 -3.801) 7.663 13.560 ( -3.740 -3.983 -0.293) 5.472 13.560 ( -3.740 3.983 -0.293) 5.472 14.635 ( -3.027 -5.320 -5.521) 8.243 14.635 ( -3.027 5.320 -5.521) 8.243 15.422 ( -3.895 -1.594 -5.131) 6.636 15.422 ( -3.895 1.594 -5.131) 6.636 16.043 ( -0.243 -5.556 -3.584) 6.616 16.043 ( -0.243 5.556 -3.584) 6.616 20.624 ( -2.106 -2.261 -0.750) 3.180 20.624 ( -2.106 2.261 -0.750) 3.180 20.756 ( -0.956 -3.297 -2.219) 4.088 20.756 ( -0.956 3.297 -2.219) 4.088 21.605 ( -4.713 -0.653 -0.039) 4.759 21.605 ( -4.713 0.653 -0.039) 4.759 21.857 ( -5.755 -1.084 0.403) 5.870 21.857 ( -5.755 1.084 0.403) 5.870 21.874 ( -6.384 -1.489 -4.893) 8.180 21.874 ( -6.384 1.489 -4.893) 8.180 22.177 ( -0.781 -1.114 4.721) 4.914 22.177 ( -0.781 1.114 4.721) 4.914 22.234 ( -0.184 -1.746 4.818) 5.128 22.234 ( -0.184 1.746 4.818) 5.128 22.434 ( 0.977 -2.831 3.544) 4.640 22.434 ( 0.977 2.831 3.544) 4.640 22.967 ( -0.041 -0.602 4.142) 4.186 22.967 ( -0.041 0.602 4.142) 4.186 23.510 ( 10.093 -8.898 8.329) 15.824 23.510 ( 10.093 8.898 8.329) 15.824 24.270 ( 8.392 -9.563 -7.442) 14.740 24.270 ( 8.392 9.563 -7.442) 14.740 24.895 ( 5.614 -7.954 -7.732) 12.432 24.895 ( 5.614 7.954 -7.732) 12.432 25.514 ( -2.619 -2.025 -7.968) 8.628 25.514 ( -2.619 2.025 -7.968) 8.628 ======================= Grid point 124 (72/104) ======================= q-point: (-0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -20.062 -8.262 -5.394) 22.357 1.331 ( -20.062 8.262 -5.394) 22.357 1.502 ( -12.671 -8.870 3.009) 15.757 1.502 ( -12.671 8.870 3.009) 15.757 1.837 ( -10.955 -21.663 7.621) 25.444 1.837 ( -10.955 21.663 7.621) 25.444 1.942 ( -8.185 -13.845 -2.214) 16.236 1.942 ( -8.185 13.845 -2.214) 16.236 2.229 ( -15.763 -1.510 -8.551) 17.997 2.229 ( -15.763 1.510 -8.551) 17.997 2.391 ( -2.226 -8.981 7.075) 11.648 2.391 ( -2.226 8.981 7.075) 11.648 2.583 ( -7.518 -2.399 5.507) 9.623 2.583 ( -7.518 2.399 5.507) 9.623 2.797 ( 5.476 -12.677 36.497) 39.022 2.797 ( 5.476 12.677 36.497) 39.022 2.920 ( 2.644 -14.815 5.868) 16.153 2.920 ( 2.644 14.815 5.868) 16.153 3.074 ( -3.072 -6.049 1.134) 6.879 3.074 ( -3.072 6.049 1.134) 6.879 3.151 ( 2.157 -3.911 7.606) 8.820 3.151 ( 2.157 3.911 7.606) 8.820 3.284 ( 1.381 -3.144 -1.636) 3.804 3.284 ( 1.381 3.144 -1.636) 3.804 3.432 ( -0.764 -3.814 -0.352) 3.906 3.432 ( -0.764 3.814 -0.352) 3.906 3.457 ( -0.895 -0.607 1.827) 2.123 3.457 ( -0.895 0.607 1.827) 2.123 3.664 ( -0.583 -0.542 -4.225) 4.299 3.664 ( -0.583 0.542 -4.225) 4.299 3.862 ( -4.085 -5.525 0.741) 6.910 3.862 ( -4.085 5.525 0.741) 6.910 3.979 ( -3.264 -5.937 -1.272) 6.893 3.979 ( -3.264 5.937 -1.272) 6.893 4.080 ( -4.984 -5.886 0.978) 7.775 4.080 ( -4.984 5.886 0.978) 7.775 4.112 ( -5.520 -5.405 -2.077) 8.000 4.112 ( -5.520 5.405 -2.077) 8.000 4.220 ( -0.494 -4.124 9.000) 9.912 4.220 ( -0.494 4.124 9.000) 9.912 4.475 ( -7.361 -3.751 0.461) 8.275 4.475 ( -7.361 3.751 0.461) 8.275 4.531 ( 1.318 -2.323 0.753) 2.775 4.531 ( 1.318 2.323 0.753) 2.775 4.670 ( 1.034 -3.846 -1.887) 4.407 4.670 ( 1.034 3.846 -1.887) 4.407 4.739 ( -7.403 -2.937 2.953) 8.494 4.739 ( -7.403 2.937 2.953) 8.494 4.839 ( -4.534 -1.650 -0.847) 4.899 4.839 ( -4.534 1.650 -0.847) 4.899 4.965 ( -1.183 -6.254 3.523) 7.274 4.965 ( -1.183 6.254 3.523) 7.274 5.194 ( -5.537 -3.949 2.321) 7.186 5.194 ( -5.537 3.949 2.321) 7.186 5.294 ( -4.639 -4.258 0.841) 6.352 5.294 ( -4.639 4.258 0.841) 6.352 5.376 ( -4.571 -2.660 0.094) 5.290 5.376 ( -4.571 2.660 0.094) 5.290 5.454 ( 2.917 -8.975 3.769) 10.162 5.454 ( 2.917 8.975 3.769) 10.162 5.549 ( -0.666 -3.254 -1.243) 3.547 5.549 ( -0.666 3.254 -1.243) 3.547 5.638 ( -4.931 -4.772 -0.147) 6.864 5.638 ( -4.931 4.772 -0.147) 6.864 5.807 ( 3.179 -1.702 -1.457) 3.890 5.807 ( 3.179 1.702 -1.457) 3.890 5.982 ( -0.429 -8.610 -3.451) 9.286 5.982 ( -0.429 8.610 -3.451) 9.286 6.089 ( -0.754 -6.303 -5.208) 8.210 6.089 ( -0.754 6.303 -5.208) 8.210 6.203 ( 3.759 -7.830 -6.355) 10.763 6.203 ( 3.759 7.830 -6.355) 10.763 6.374 ( -1.566 -6.136 -0.887) 6.394 6.374 ( -1.566 6.136 -0.887) 6.394 6.505 ( 1.783 -3.974 -8.375) 9.440 6.505 ( 1.783 3.974 -8.375) 9.440 6.605 ( 1.836 -1.950 1.743) 3.196 6.605 ( 1.836 1.950 1.743) 3.196 6.736 ( 1.172 -4.054 0.121) 4.222 6.736 ( 1.172 4.054 0.121) 4.222 6.837 ( 2.488 -6.353 1.364) 6.958 6.837 ( 2.488 6.353 1.364) 6.958 6.942 ( -1.280 -4.470 -2.794) 5.425 6.942 ( -1.280 4.470 -2.794) 5.425 7.047 ( 0.409 -4.168 -2.421) 4.837 7.047 ( 0.409 4.168 -2.421) 4.837 7.197 ( -1.973 -4.560 -7.226) 8.770 7.197 ( -1.973 4.560 -7.226) 8.770 7.306 ( 0.971 -3.738 1.065) 4.006 7.306 ( 0.971 3.738 1.065) 4.006 7.351 ( -1.120 -2.371 -5.167) 5.795 7.351 ( -1.120 2.371 -5.167) 5.795 7.439 ( -5.760 -6.567 -3.577) 9.439 7.439 ( -5.760 6.567 -3.577) 9.439 7.458 ( -3.288 -4.730 2.517) 6.287 7.458 ( -3.288 4.730 2.517) 6.287 7.634 ( 1.581 -2.645 2.393) 3.901 7.634 ( 1.581 2.645 2.393) 3.901 7.755 ( -2.382 -6.077 -0.735) 6.569 7.755 ( -2.382 6.077 -0.735) 6.569 7.871 ( 2.132 -10.033 2.578) 10.576 7.871 ( 2.132 10.033 2.578) 10.576 8.114 ( 3.590 -1.512 0.948) 4.009 8.114 ( 3.590 1.512 0.948) 4.009 8.181 ( -3.061 -1.637 0.941) 3.596 8.181 ( -3.061 1.637 0.941) 3.596 8.274 ( -0.856 -4.989 -1.632) 5.318 8.274 ( -0.856 4.989 -1.632) 5.318 8.435 ( 0.236 -12.738 -0.410) 12.747 8.435 ( 0.236 12.738 -0.410) 12.747 8.591 ( 3.912 -2.591 -0.673) 4.740 8.591 ( 3.912 2.591 -0.673) 4.740 8.711 ( 1.681 -6.092 -2.439) 6.775 8.711 ( 1.681 6.092 -2.439) 6.775 8.771 ( 3.344 -9.218 -4.253) 10.688 8.771 ( 3.344 9.218 -4.253) 10.688 8.949 ( 1.388 -6.102 -1.696) 6.484 8.949 ( 1.388 6.102 -1.696) 6.484 9.107 ( 3.424 -5.812 4.559) 8.141 9.107 ( 3.424 5.812 4.559) 8.141 9.298 ( 3.701 -7.990 -2.614) 9.185 9.298 ( 3.701 7.990 -2.614) 9.185 9.446 ( -1.088 -6.470 -14.254) 15.692 9.446 ( -1.088 6.470 -14.254) 15.692 9.506 ( -0.718 -4.702 -3.750) 6.057 9.506 ( -0.718 4.702 -3.750) 6.057 9.879 ( 1.100 -3.594 -0.391) 3.779 9.879 ( 1.100 3.594 -0.391) 3.779 10.016 ( 5.614 -2.331 2.499) 6.572 10.016 ( 5.614 2.331 2.499) 6.572 10.326 ( 4.840 -6.326 2.281) 8.285 10.326 ( 4.840 6.326 2.281) 8.285 10.426 ( 3.923 -3.564 3.656) 6.439 10.426 ( 3.923 3.564 3.656) 6.439 10.773 ( 8.905 -4.388 -1.978) 10.123 10.773 ( 8.905 4.388 -1.978) 10.123 11.700 ( -1.551 -1.590 -0.761) 2.348 11.700 ( -1.551 1.590 -0.761) 2.348 11.971 ( 4.617 -5.333 0.311) 7.061 11.971 ( 4.617 5.333 0.311) 7.061 12.168 ( 3.555 -1.239 0.389) 3.785 12.168 ( 3.555 1.239 0.389) 3.785 12.356 ( -2.248 -9.030 -2.546) 9.648 12.356 ( -2.248 9.030 -2.546) 9.648 12.532 ( 0.159 -2.628 -0.362) 2.658 12.532 ( 0.159 2.628 -0.362) 2.658 12.588 ( -3.961 -2.330 -6.924) 8.310 12.588 ( -3.961 2.330 -6.924) 8.310 12.901 ( -10.150 -0.735 -7.748) 12.790 12.901 ( -10.150 0.735 -7.748) 12.790 13.124 ( -3.151 -3.450 -4.644) 6.587 13.124 ( -3.151 3.450 -4.644) 6.587 13.467 ( -4.786 -4.133 -3.778) 7.366 13.467 ( -4.786 4.133 -3.778) 7.366 14.523 ( -3.142 -6.805 -6.121) 9.677 14.523 ( -3.142 6.805 -6.121) 9.677 15.302 ( -3.490 -2.283 -5.758) 7.110 15.302 ( -3.490 2.283 -5.758) 7.110 15.994 ( -0.875 -4.193 -4.030) 5.881 15.994 ( -0.875 4.193 -4.030) 5.881 20.585 ( -1.724 -2.166 -0.699) 2.855 20.585 ( -1.724 2.166 -0.699) 2.855 20.711 ( -1.619 -2.994 -2.255) 4.083 20.711 ( -1.619 2.994 -2.255) 4.083 21.553 ( -2.687 -0.789 1.928) 3.400 21.553 ( -2.687 0.789 1.928) 3.400 21.746 ( -4.420 -0.583 -1.061) 4.583 21.746 ( -4.420 0.583 -1.061) 4.583 21.776 ( -4.514 -1.321 0.688) 4.753 21.776 ( -4.514 1.321 0.688) 4.753 22.220 ( 0.118 -0.349 5.383) 5.396 22.220 ( 0.118 0.349 5.383) 5.396 22.307 ( 1.557 -1.526 6.800) 7.141 22.307 ( 1.557 1.526 6.800) 7.141 22.512 ( 3.398 -2.421 4.493) 6.132 22.512 ( 3.398 2.421 4.493) 6.132 23.019 ( 0.953 -1.005 5.056) 5.242 23.019 ( 0.953 1.005 5.056) 5.242 23.728 ( 8.164 -11.840 2.358) 14.574 23.728 ( 8.164 11.840 2.358) 14.574 24.310 ( 6.810 -8.987 -12.300) 16.686 24.310 ( 6.810 8.987 -12.300) 16.686 24.887 ( 3.098 -6.530 -9.183) 11.686 24.887 ( 3.098 6.530 -9.183) 11.686 25.380 ( -4.180 -3.620 -5.334) 7.683 25.380 ( -4.180 3.620 -5.334) 7.683 ======================= Grid point 126 (73/104) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 2.839 0.000 2.616) 3.861 1.017 ( 16.418 0.000 -10.976) 19.749 1.103 ( -8.940 0.000 -14.176) 16.759 1.165 ( -4.234 0.000 -17.308) 17.818 1.482 ( -0.636 0.000 -5.421) 5.458 1.496 ( 1.508 0.000 -6.454) 6.628 1.976 ( -3.792 0.000 9.299) 10.042 2.060 ( 4.690 0.000 6.794) 8.256 2.153 ( 0.966 0.000 3.842) 3.961 2.297 ( 5.498 0.000 -1.234) 5.635 2.346 ( -2.695 0.000 -7.113) 7.607 2.465 ( -2.829 0.000 -3.812) 4.747 2.811 ( -0.719 0.000 -0.346) 0.798 2.843 ( 1.008 0.000 -2.962) 3.128 2.907 ( 0.341 0.000 8.377) 8.384 2.985 ( 3.088 0.000 10.342) 10.793 3.007 ( 1.919 0.000 5.047) 5.399 3.143 ( -14.392 0.000 0.613) 14.405 3.243 ( 12.280 0.000 -0.619) 12.296 3.304 ( -6.515 0.000 -2.949) 7.151 3.338 ( 3.934 0.000 3.432) 5.221 3.439 ( -0.668 0.000 7.467) 7.497 3.489 ( -0.553 0.000 4.847) 4.879 3.516 ( -0.973 0.000 3.481) 3.614 3.547 ( 3.985 0.000 4.061) 5.690 3.587 ( 7.012 0.000 5.497) 8.910 3.627 ( 1.581 0.000 5.329) 5.559 3.637 ( 2.698 0.000 7.379) 7.857 3.717 ( -3.480 0.000 3.756) 5.120 3.800 ( 5.250 0.000 9.234) 10.622 3.803 ( 3.558 0.000 7.107) 7.948 3.843 ( 3.617 0.000 -0.231) 3.624 3.905 ( -1.533 0.000 -1.101) 1.888 3.915 ( -5.412 0.000 4.044) 6.756 3.999 ( -4.321 0.000 2.354) 4.921 4.006 ( 5.216 0.000 0.784) 5.275 4.115 ( 1.717 0.000 2.541) 3.067 4.144 ( -2.861 0.000 -2.307) 3.675 4.322 ( 0.576 0.000 -0.795) 0.982 4.338 ( 8.245 0.000 -2.936) 8.752 4.410 ( -6.679 0.000 -2.891) 7.278 4.438 ( -2.516 0.000 -5.250) 5.821 4.537 ( 1.619 0.000 -0.548) 1.709 4.591 ( 0.621 0.000 -1.264) 1.408 4.639 ( -2.342 0.000 0.682) 2.439 4.673 ( 0.520 0.000 -1.933) 2.002 4.747 ( 3.782 0.000 8.220) 9.048 4.771 ( -0.876 0.000 2.986) 3.112 4.804 ( -0.775 0.000 2.203) 2.335 4.988 ( -0.651 0.000 4.323) 4.372 5.026 ( 0.133 0.000 -1.337) 1.344 5.138 ( 1.052 0.000 4.960) 5.070 5.176 ( -5.567 0.000 3.363) 6.504 5.216 ( -3.170 0.000 0.092) 3.171 5.248 ( -1.157 0.000 4.272) 4.426 5.280 ( -0.861 0.000 12.732) 12.761 5.346 ( 0.684 0.000 -0.321) 0.755 5.363 ( -0.684 0.000 -1.517) 1.664 5.460 ( -1.858 0.000 -5.511) 5.816 5.516 ( -2.193 0.000 3.675) 4.280 5.554 ( -2.178 0.000 -0.484) 2.231 5.595 ( 1.032 0.000 1.806) 2.080 5.635 ( 1.461 0.000 -8.682) 8.804 5.719 ( 0.066 0.000 13.426) 13.426 5.725 ( 1.647 0.000 3.290) 3.679 5.798 ( 2.120 0.000 -0.004) 2.120 5.810 ( 3.492 0.000 -1.087) 3.657 5.938 ( 3.836 0.000 -8.153) 9.011 5.961 ( 3.795 0.000 8.033) 8.884 6.030 ( -0.506 0.000 -1.601) 1.679 6.137 ( 2.887 0.000 -8.577) 9.050 6.192 ( -2.075 0.000 -6.675) 6.990 6.240 ( 2.435 0.000 3.434) 4.210 6.288 ( -0.529 0.000 -4.272) 4.305 6.377 ( -2.962 0.000 -1.274) 3.224 6.423 ( -0.411 0.000 2.444) 2.479 6.424 ( 1.293 0.000 -8.871) 8.964 6.618 ( -8.292 0.000 -5.399) 9.894 6.634 ( -1.310 0.000 -1.137) 1.735 6.644 ( -6.086 0.000 -4.741) 7.715 6.777 ( -8.419 0.000 -5.857) 10.256 6.792 ( -2.355 0.000 3.352) 4.096 6.852 ( -1.599 0.000 -4.395) 4.676 6.883 ( -0.971 0.000 2.704) 2.873 6.910 ( -4.338 0.000 0.679) 4.391 6.924 ( -2.106 0.000 3.845) 4.384 6.963 ( 1.993 0.000 -0.199) 2.003 7.121 ( -0.629 0.000 -2.359) 2.441 7.173 ( 5.804 0.000 -4.165) 7.144 7.207 ( 7.150 0.000 4.257) 8.321 7.275 ( 7.690 0.000 -3.510) 8.453 7.375 ( -1.782 0.000 4.598) 4.931 7.496 ( -4.633 0.000 4.410) 6.396 7.497 ( 4.051 0.000 -0.623) 4.099 7.585 ( -3.814 0.000 -0.599) 3.861 7.610 ( -0.288 0.000 2.985) 2.999 7.706 ( 2.197 0.000 5.975) 6.367 7.750 ( -0.858 0.000 -1.417) 1.657 7.788 ( 0.049 0.000 -5.517) 5.517 7.808 ( 0.125 0.000 -5.769) 5.770 7.855 ( -3.465 0.000 2.747) 4.421 7.936 ( 1.858 0.000 0.805) 2.025 7.964 ( -2.320 0.000 4.084) 4.697 8.058 ( 3.306 0.000 1.018) 3.459 8.114 ( -2.112 0.000 -5.861) 6.230 8.218 ( -4.171 0.000 -2.872) 5.065 8.222 ( -7.754 0.000 -8.104) 11.216 8.260 ( 0.774 0.000 -1.516) 1.702 8.336 ( 0.633 0.000 0.568) 0.850 8.397 ( 0.448 0.000 -3.403) 3.432 8.512 ( 1.229 0.000 -6.220) 6.341 8.531 ( -2.804 0.000 -1.992) 3.440 8.594 ( 0.117 0.000 -2.013) 2.016 8.603 ( -2.465 0.000 -4.560) 5.184 8.624 ( 1.554 0.000 -5.565) 5.777 8.672 ( -0.562 0.000 -5.674) 5.702 8.777 ( -5.886 0.000 -3.065) 6.636 8.783 ( 4.125 0.000 -3.107) 5.164 8.994 ( -0.449 0.000 -9.352) 9.363 9.012 ( 1.181 0.000 -8.426) 8.509 9.190 ( 2.088 0.000 -0.459) 2.138 9.196 ( 0.425 0.000 0.520) 0.671 9.393 ( 3.573 0.000 1.261) 3.789 9.424 ( 0.746 0.000 -0.536) 0.918 9.503 ( 2.798 0.000 1.430) 3.143 9.513 ( 0.883 0.000 3.475) 3.585 9.834 ( -1.731 0.000 0.361) 1.769 9.917 ( 2.528 0.000 -3.815) 4.577 10.008 ( -2.769 0.000 2.684) 3.856 10.216 ( 0.735 0.000 -4.687) 4.744 10.242 ( 4.667 0.000 4.534) 6.507 10.389 ( -3.676 0.000 -3.509) 5.082 10.609 ( -0.726 0.000 5.757) 5.803 10.659 ( 3.105 0.000 4.180) 5.208 10.767 ( 0.006 0.000 -1.440) 1.440 10.795 ( -2.428 0.000 -2.860) 3.752 11.674 ( 0.485 0.000 0.705) 0.856 11.680 ( -0.568 0.000 0.274) 0.630 12.036 ( -4.492 0.000 3.110) 5.464 12.064 ( -10.008 0.000 0.897) 10.049 12.095 ( 5.253 0.000 0.452) 5.272 12.150 ( 4.649 0.000 -2.502) 5.280 12.330 ( -1.358 0.000 -0.270) 1.384 12.344 ( -0.022 0.000 2.795) 2.795 12.374 ( -4.732 0.000 -3.713) 6.015 12.440 ( -9.814 0.000 -1.464) 9.923 12.473 ( 2.602 0.000 -1.745) 3.133 12.526 ( 3.624 0.000 -1.587) 3.956 12.662 ( 10.797 0.000 -4.418) 11.665 12.678 ( -0.833 0.000 -3.465) 3.564 12.977 ( -1.966 0.000 -3.063) 3.639 12.983 ( 2.046 0.000 -3.329) 3.907 13.261 ( -1.148 0.000 -1.807) 2.141 13.293 ( -4.133 0.000 -3.401) 5.352 14.326 ( -0.865 0.000 -0.293) 0.913 14.400 ( -0.733 0.000 -4.284) 4.346 15.112 ( -0.690 0.000 -1.700) 1.835 15.160 ( 0.102 0.000 -3.739) 3.741 15.871 ( 1.132 0.000 -1.487) 1.869 15.903 ( -1.152 0.000 -2.966) 3.182 20.546 ( -0.810 0.000 0.606) 1.012 20.574 ( -0.561 0.000 -0.739) 0.928 20.621 ( -0.503 0.000 0.373) 0.626 20.659 ( -1.011 0.000 -1.419) 1.742 21.572 ( -1.053 0.000 1.804) 2.089 21.592 ( 0.607 0.000 0.826) 1.025 21.709 ( -2.233 0.000 1.007) 2.449 21.720 ( 0.460 0.000 0.447) 0.641 21.755 ( 0.268 0.000 1.409) 1.434 21.769 ( -1.466 0.000 0.850) 1.695 22.348 ( -0.050 0.000 2.907) 2.907 22.356 ( 0.375 0.000 2.784) 2.809 22.477 ( -0.218 0.000 4.702) 4.707 22.546 ( -0.190 0.000 5.823) 5.826 22.610 ( 4.616 0.000 -1.318) 4.801 22.670 ( 3.816 0.000 -0.202) 3.822 23.141 ( 0.859 0.000 2.625) 2.762 23.163 ( 1.199 0.000 1.740) 2.113 23.699 ( 1.188 0.000 -2.045) 2.365 23.792 ( 1.934 0.000 -8.616) 8.830 24.025 ( -1.120 0.000 -2.542) 2.778 24.096 ( 1.927 0.000 -7.695) 7.932 24.665 ( 1.003 0.000 -3.034) 3.196 24.732 ( -0.510 0.000 -6.141) 6.163 25.246 ( 0.739 0.000 -0.457) 0.869 25.284 ( -0.657 0.000 -2.473) 2.559 ======================= Grid point 127 (74/104) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 13.990 0.000 -11.088) 17.851 1.052 ( 18.778 0.000 -11.814) 22.185 1.233 ( 29.431 0.000 1.962) 29.496 1.398 ( 30.971 0.000 -4.243) 31.260 1.585 ( 16.824 0.000 -4.185) 17.337 1.596 ( 13.701 0.000 -5.343) 14.706 1.963 ( -6.161 0.000 8.946) 10.862 2.166 ( 1.111 0.000 -3.373) 3.551 2.228 ( -1.350 0.000 -6.870) 7.002 2.284 ( 10.807 0.000 2.790) 11.161 2.419 ( 4.655 0.000 -5.953) 7.557 2.484 ( 12.700 0.000 3.124) 13.079 2.891 ( 0.783 0.000 2.351) 2.478 2.902 ( 6.821 0.000 3.927) 7.871 2.907 ( -10.501 0.000 2.293) 10.749 2.969 ( 4.262 0.000 2.837) 5.120 3.099 ( 3.061 0.000 -2.955) 4.254 3.180 ( 2.388 0.000 -2.048) 3.146 3.196 ( 9.906 0.000 6.151) 11.660 3.312 ( -7.584 0.000 -2.923) 8.128 3.385 ( -2.690 0.000 -1.253) 2.968 3.468 ( 4.145 0.000 4.847) 6.377 3.504 ( -2.814 0.000 1.836) 3.360 3.519 ( 6.242 0.000 6.190) 8.791 3.602 ( -2.003 0.000 -1.406) 2.448 3.618 ( 1.044 0.000 -0.822) 1.329 3.741 ( 0.250 0.000 1.860) 1.877 3.750 ( 6.875 0.000 2.780) 7.416 3.809 ( -2.409 0.000 -2.336) 3.355 3.853 ( 4.063 0.000 8.899) 9.783 3.900 ( 5.266 0.000 4.393) 6.857 3.909 ( 3.472 0.000 -1.295) 3.706 3.966 ( 7.552 0.000 -0.633) 7.579 3.976 ( 12.248 0.000 1.785) 12.377 4.081 ( -1.385 0.000 -3.682) 3.934 4.112 ( 3.388 0.000 7.929) 8.623 4.151 ( 3.835 0.000 -1.292) 4.047 4.235 ( 9.225 0.000 2.364) 9.523 4.277 ( 0.368 0.000 -4.671) 4.685 4.312 ( 3.360 0.000 -2.177) 4.004 4.442 ( 7.225 0.000 -1.873) 7.464 4.482 ( 5.932 0.000 -2.380) 6.392 4.612 ( 7.908 0.000 1.654) 8.079 4.620 ( 3.313 0.000 0.232) 3.322 4.620 ( 0.932 0.000 0.250) 0.965 4.714 ( 10.118 0.000 -0.562) 10.134 4.811 ( 2.665 0.000 1.779) 3.204 4.836 ( 0.621 0.000 0.683) 0.923 4.892 ( 3.412 0.000 4.687) 5.797 4.931 ( 3.341 0.000 -4.539) 5.636 5.058 ( -6.383 0.000 -1.899) 6.659 5.070 ( -5.449 0.000 5.835) 7.984 5.189 ( 2.730 0.000 4.188) 4.999 5.249 ( -1.151 0.000 0.490) 1.251 5.280 ( -1.471 0.000 -0.321) 1.506 5.297 ( -2.653 0.000 6.192) 6.736 5.328 ( -1.150 0.000 3.339) 3.532 5.397 ( 3.783 0.000 1.652) 4.128 5.431 ( 3.307 0.000 -1.523) 3.640 5.477 ( -1.359 0.000 -4.659) 4.854 5.540 ( -3.181 0.000 6.806) 7.513 5.590 ( 0.395 0.000 0.024) 0.396 5.600 ( -1.912 0.000 -1.734) 2.581 5.666 ( 0.884 0.000 -4.793) 4.874 5.809 ( 2.002 0.000 -2.155) 2.941 5.851 ( -3.502 0.000 -2.295) 4.187 5.871 ( 2.469 0.000 4.900) 5.486 5.963 ( -2.197 0.000 -0.337) 2.222 5.985 ( -2.263 0.000 1.532) 2.732 6.026 ( -1.783 0.000 -10.980) 11.124 6.043 ( -6.958 0.000 7.021) 9.885 6.157 ( 0.316 0.000 -0.723) 0.788 6.213 ( -2.253 0.000 -3.420) 4.096 6.236 ( -7.534 0.000 -1.002) 7.601 6.261 ( -3.855 0.000 -3.222) 5.024 6.429 ( -0.018 0.000 2.794) 2.794 6.472 ( -7.212 0.000 -5.479) 9.057 6.488 ( -0.337 0.000 9.580) 9.586 6.538 ( 1.568 0.000 7.348) 7.514 6.563 ( -3.967 0.000 -3.984) 5.622 6.675 ( -1.714 0.000 3.970) 4.325 6.797 ( 0.215 0.000 2.400) 2.410 6.850 ( 4.097 0.000 -0.279) 4.106 6.883 ( -2.471 0.000 6.638) 7.084 6.921 ( 3.434 0.000 -0.483) 3.468 6.982 ( -0.700 0.000 8.503) 8.532 6.996 ( 1.632 0.000 -1.320) 2.099 7.114 ( 0.715 0.000 1.013) 1.240 7.198 ( 3.872 0.000 -10.022) 10.744 7.262 ( 0.742 0.000 -7.795) 7.831 7.336 ( -0.189 0.000 -12.018) 12.020 7.393 ( -0.924 0.000 1.919) 2.130 7.424 ( 3.713 0.000 7.771) 8.613 7.478 ( 1.956 0.000 -13.240) 13.383 7.574 ( 1.110 0.000 8.348) 8.422 7.628 ( -1.220 0.000 -1.412) 1.866 7.689 ( -3.679 0.000 -0.209) 3.685 7.693 ( -1.371 0.000 -1.643) 2.140 7.788 ( 4.076 0.000 7.616) 8.638 7.815 ( -1.236 0.000 -2.329) 2.637 7.884 ( 2.371 0.000 8.844) 9.156 7.925 ( -3.077 0.000 1.225) 3.312 8.007 ( -0.964 0.000 -1.342) 1.653 8.012 ( -4.129 0.000 -3.431) 5.368 8.120 ( 2.206 0.000 3.338) 4.001 8.163 ( -4.265 0.000 -7.340) 8.490 8.214 ( 6.869 0.000 -0.095) 6.869 8.220 ( 6.376 0.000 3.044) 7.065 8.317 ( -2.347 0.000 1.309) 2.687 8.348 ( -2.555 0.000 -3.296) 4.170 8.436 ( -5.612 0.000 -1.699) 5.863 8.491 ( -2.473 0.000 1.092) 2.703 8.580 ( -1.400 0.000 -1.626) 2.145 8.581 ( -0.237 0.000 -0.270) 0.360 8.612 ( 2.965 0.000 -2.454) 3.849 8.619 ( 1.617 0.000 -1.257) 2.048 8.671 ( -4.255 0.000 -1.003) 4.371 8.829 ( 3.029 0.000 -1.324) 3.306 8.923 ( 1.134 0.000 -7.052) 7.143 8.966 ( 1.320 0.000 -5.319) 5.481 9.162 ( -3.664 0.000 -0.876) 3.767 9.192 ( -1.698 0.000 0.657) 1.821 9.378 ( -2.647 0.000 -5.037) 5.690 9.447 ( 1.010 0.000 0.211) 1.032 9.504 ( -2.822 0.000 -1.317) 3.114 9.557 ( 1.019 0.000 0.336) 1.073 9.796 ( -3.384 0.000 1.168) 3.580 9.899 ( -0.393 0.000 -3.537) 3.559 9.997 ( -3.494 0.000 6.308) 7.211 10.168 ( -0.452 0.000 -5.169) 5.188 10.242 ( -8.698 0.000 -4.221) 9.668 10.314 ( -0.902 0.000 3.685) 3.793 10.556 ( -10.873 0.000 2.079) 11.070 10.678 ( -5.059 0.000 0.719) 5.110 10.715 ( -3.882 0.000 -0.175) 3.886 10.716 ( -3.678 0.000 0.554) 3.720 11.686 ( 0.860 0.000 0.729) 1.128 11.694 ( 0.859 0.000 0.008) 0.859 11.906 ( -10.283 0.000 2.685) 10.628 11.974 ( -5.511 0.000 3.127) 6.337 12.197 ( 1.909 0.000 -0.592) 1.999 12.198 ( -11.249 0.000 3.962) 11.927 12.239 ( 8.351 0.000 0.585) 8.372 12.248 ( -5.423 0.000 -0.900) 5.497 12.358 ( 2.058 0.000 -1.956) 2.839 12.370 ( -2.561 0.000 3.240) 4.130 12.541 ( 1.281 0.000 -3.002) 3.264 12.572 ( 8.583 0.000 -1.795) 8.769 12.693 ( 6.326 0.000 -1.522) 6.507 12.821 ( 11.003 0.000 -4.751) 11.985 12.948 ( 1.185 0.000 -0.198) 1.201 13.020 ( 6.015 0.000 -3.628) 7.025 13.231 ( -1.083 0.000 0.038) 1.083 13.267 ( 1.552 0.000 1.721) 2.317 14.341 ( 2.074 0.000 1.228) 2.410 14.377 ( 1.897 0.000 -2.219) 2.919 15.129 ( 3.318 0.000 0.039) 3.318 15.167 ( 4.111 0.000 -2.269) 4.696 15.870 ( 0.092 0.000 -2.044) 2.046 15.890 ( 2.065 0.000 -0.208) 2.075 20.551 ( 0.366 0.000 1.331) 1.381 20.570 ( 0.599 0.000 -0.085) 0.605 20.629 ( 0.435 0.000 1.462) 1.526 20.641 ( -0.059 0.000 -0.556) 0.559 21.588 ( 1.177 0.000 1.200) 1.681 21.624 ( 2.279 0.000 0.507) 2.335 21.707 ( 0.617 0.000 1.210) 1.358 21.760 ( 3.436 0.000 0.998) 3.578 21.772 ( 0.816 0.000 0.844) 1.174 21.794 ( 2.692 0.000 1.377) 3.023 22.371 ( 0.363 0.000 1.534) 1.576 22.388 ( 1.226 0.000 1.172) 1.696 22.496 ( -1.452 0.000 2.223) 2.655 22.573 ( -1.682 0.000 3.008) 3.447 22.654 ( 3.870 0.000 -4.652) 6.051 22.708 ( 2.652 0.000 -3.495) 4.387 23.162 ( -0.327 0.000 0.603) 0.686 23.180 ( -0.071 0.000 -0.475) 0.481 23.667 ( -2.439 0.000 -1.902) 3.093 23.713 ( -2.449 0.000 -6.072) 6.547 23.986 ( -1.259 0.000 -1.189) 1.732 24.063 ( 1.122 0.000 -4.380) 4.521 24.660 ( 0.503 0.000 -0.603) 0.785 24.669 ( -1.035 0.000 -4.073) 4.202 25.267 ( 0.975 0.000 -1.883) 2.121 25.273 ( 2.544 0.000 0.012) 2.544 ======================= Grid point 128 (75/104) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 24.283 0.000 -4.869) 24.767 1.390 ( 26.742 0.000 -4.821) 27.173 1.715 ( 5.472 0.000 0.240) 5.478 1.757 ( 23.190 0.000 3.388) 23.436 1.822 ( 15.354 0.000 -3.106) 15.665 1.902 ( 21.187 0.000 -0.993) 21.211 2.007 ( 4.155 0.000 6.715) 7.897 2.134 ( 2.366 0.000 -8.153) 8.489 2.256 ( 8.538 0.000 3.665) 9.291 2.348 ( -1.814 0.000 -1.072) 2.107 2.572 ( 18.968 0.000 -2.411) 19.121 2.698 ( 8.154 0.000 1.065) 8.223 2.872 ( 0.200 0.000 4.285) 4.290 2.926 ( -5.665 0.000 0.896) 5.736 2.942 ( 5.212 0.000 3.237) 6.136 3.040 ( 1.377 0.000 -1.422) 1.980 3.136 ( -4.132 0.000 2.400) 4.779 3.180 ( 14.691 0.000 1.152) 14.736 3.242 ( -7.142 0.000 -4.341) 8.358 3.420 ( 8.775 0.000 -1.437) 8.892 3.456 ( -4.874 0.000 2.173) 5.336 3.484 ( 8.326 0.000 -4.726) 9.574 3.492 ( -0.676 0.000 0.052) 0.678 3.595 ( 12.593 0.000 -2.764) 12.893 3.617 ( 4.727 0.000 -3.355) 5.797 3.712 ( 3.051 0.000 -1.577) 3.435 3.783 ( 6.921 0.000 -2.138) 7.244 3.815 ( 11.321 0.000 2.488) 11.591 3.859 ( 6.834 0.000 -4.665) 8.275 3.885 ( 1.974 0.000 -0.928) 2.181 3.944 ( 4.402 0.000 -9.596) 10.558 4.037 ( 5.579 0.000 -4.737) 7.319 4.118 ( 5.869 0.000 4.008) 7.107 4.140 ( 5.194 0.000 6.938) 8.667 4.168 ( 8.721 0.000 -1.758) 8.897 4.176 ( 2.509 0.000 1.294) 2.822 4.192 ( 4.580 0.000 -1.033) 4.695 4.274 ( 2.978 0.000 -2.536) 3.912 4.291 ( 5.787 0.000 -3.095) 6.563 4.468 ( 1.310 0.000 1.310) 1.853 4.504 ( 4.455 0.000 -3.474) 5.650 4.576 ( 7.286 0.000 4.743) 8.694 4.707 ( 5.004 0.000 -0.384) 5.019 4.718 ( 9.386 0.000 -2.345) 9.674 4.720 ( 4.991 0.000 0.414) 5.008 4.839 ( -0.410 0.000 -0.639) 0.760 4.897 ( 2.856 0.000 -0.644) 2.928 4.907 ( 6.248 0.000 -2.008) 6.563 4.941 ( 0.591 0.000 -2.192) 2.270 4.981 ( 7.931 0.000 -0.399) 7.941 5.003 ( 5.427 0.000 -3.665) 6.549 5.042 ( 1.902 0.000 3.294) 3.803 5.230 ( -0.814 0.000 2.293) 2.434 5.242 ( -3.853 0.000 3.493) 5.201 5.251 ( 0.787 0.000 2.361) 2.489 5.354 ( 1.163 0.000 4.625) 4.769 5.355 ( 1.241 0.000 2.708) 2.979 5.409 ( -7.743 0.000 0.013) 7.743 5.455 ( 0.643 0.000 0.755) 0.992 5.504 ( 5.037 0.000 2.984) 5.854 5.574 ( -2.556 0.000 7.742) 8.153 5.582 ( 3.060 0.000 -3.357) 4.543 5.646 ( 8.214 0.000 0.857) 8.259 5.702 ( 4.626 0.000 -0.939) 4.721 5.712 ( -6.901 0.000 -4.704) 8.352 5.785 ( -2.102 0.000 2.052) 2.937 5.860 ( -7.634 0.000 -1.009) 7.700 5.870 ( -3.649 0.000 -0.494) 3.682 5.954 ( 3.787 0.000 -5.705) 6.848 5.959 ( -2.946 0.000 1.477) 3.295 6.021 ( -9.599 0.000 -8.026) 12.512 6.033 ( -0.975 0.000 9.203) 9.255 6.109 ( -2.243 0.000 1.358) 2.622 6.119 ( -3.010 0.000 -5.283) 6.081 6.175 ( -3.877 0.000 1.214) 4.062 6.335 ( -2.517 0.000 -3.788) 4.548 6.403 ( -5.424 0.000 0.462) 5.443 6.544 ( -3.265 0.000 5.323) 6.245 6.558 ( 2.517 0.000 2.983) 3.903 6.664 ( 1.915 0.000 4.008) 4.442 6.689 ( -2.541 0.000 4.219) 4.925 6.832 ( -1.648 0.000 5.487) 5.729 6.939 ( 0.388 0.000 6.691) 6.702 6.948 ( 3.737 0.000 3.491) 5.114 6.961 ( 2.125 0.000 -0.282) 2.143 7.015 ( 0.858 0.000 -0.223) 0.886 7.057 ( 5.249 0.000 0.850) 5.317 7.115 ( -0.096 0.000 -1.613) 1.616 7.149 ( 3.202 0.000 -8.358) 8.950 7.218 ( -0.875 0.000 -5.708) 5.775 7.258 ( 1.082 0.000 7.303) 7.382 7.380 ( -2.645 0.000 0.267) 2.658 7.388 ( 2.796 0.000 -11.452) 11.789 7.538 ( -4.580 0.000 -3.739) 5.913 7.604 ( -1.563 0.000 -3.106) 3.477 7.640 ( 1.360 0.000 2.844) 3.153 7.708 ( 8.061 0.000 12.563) 14.927 7.748 ( 4.479 0.000 6.618) 7.992 7.780 ( -1.821 0.000 0.513) 1.891 7.887 ( 0.120 0.000 0.688) 0.699 7.921 ( 0.000 0.000 -3.011) 3.011 7.952 ( 2.690 0.000 5.671) 6.276 8.031 ( 1.094 0.000 1.997) 2.277 8.054 ( 0.990 0.000 3.929) 4.051 8.088 ( 3.119 0.000 3.430) 4.636 8.101 ( -5.865 0.000 -0.630) 5.899 8.195 ( -3.329 0.000 0.488) 3.364 8.249 ( -4.897 0.000 -3.317) 5.914 8.314 ( 0.355 0.000 1.652) 1.690 8.330 ( -2.111 0.000 -1.696) 2.708 8.423 ( 3.807 0.000 5.551) 6.731 8.447 ( -4.099 0.000 -0.224) 4.105 8.536 ( -0.590 0.000 0.424) 0.727 8.562 ( -2.654 0.000 0.469) 2.695 8.598 ( -4.135 0.000 -1.205) 4.307 8.682 ( 5.358 0.000 -0.060) 5.359 8.698 ( 5.480 0.000 5.264) 7.599 8.839 ( -0.691 0.000 -2.147) 2.256 8.913 ( 3.451 0.000 -2.653) 4.353 8.949 ( 1.457 0.000 -3.338) 3.642 9.076 ( -5.339 0.000 -0.094) 5.340 9.151 ( -4.725 0.000 1.989) 5.127 9.271 ( -2.305 0.000 -6.090) 6.511 9.377 ( -7.272 0.000 -1.714) 7.471 9.459 ( -0.073 0.000 -2.708) 2.709 9.518 ( -3.425 0.000 -4.316) 5.510 9.757 ( -2.894 0.000 2.123) 3.590 9.850 ( -1.789 0.000 -1.908) 2.615 10.002 ( -4.330 0.000 7.317) 8.502 10.044 ( -8.928 0.000 -4.089) 9.820 10.103 ( -2.257 0.000 -4.519) 5.051 10.282 ( -5.460 0.000 1.739) 5.730 10.348 ( -14.037 0.000 1.765) 14.148 10.562 ( -6.717 0.000 -1.261) 6.834 10.623 ( -8.379 0.000 -0.358) 8.387 10.630 ( -6.445 0.000 -0.707) 6.484 11.678 ( -3.682 0.000 0.285) 3.693 11.718 ( 1.279 0.000 1.121) 1.701 11.789 ( -6.231 0.000 3.136) 6.975 11.877 ( -9.015 0.000 0.814) 9.051 12.055 ( -9.285 0.000 5.461) 10.772 12.133 ( -4.715 0.000 -0.207) 4.719 12.282 ( 5.310 0.000 1.290) 5.464 12.355 ( -2.142 0.000 4.096) 4.622 12.403 ( 9.108 0.000 1.218) 9.189 12.425 ( 5.758 0.000 -0.624) 5.792 12.540 ( 1.737 0.000 -1.203) 2.113 12.664 ( 4.227 0.000 -0.568) 4.265 12.865 ( 11.825 0.000 2.552) 12.098 12.912 ( 5.647 0.000 -2.147) 6.041 13.034 ( 7.785 0.000 0.109) 7.785 13.120 ( 9.446 0.000 -2.462) 9.762 13.258 ( 1.781 0.000 3.916) 4.302 13.328 ( 1.805 0.000 4.544) 4.890 14.413 ( 4.254 0.000 2.324) 4.847 14.422 ( 4.622 0.000 -0.166) 4.625 15.212 ( 5.333 0.000 1.511) 5.543 15.247 ( 6.615 0.000 -0.627) 6.645 15.867 ( 1.165 0.000 -0.853) 1.444 15.932 ( 2.264 0.000 0.931) 2.448 20.583 ( 1.384 0.000 2.060) 2.482 20.589 ( 1.377 0.000 0.448) 1.448 20.646 ( 0.819 0.000 0.256) 0.858 20.662 ( 1.260 0.000 2.352) 2.668 21.630 ( 2.672 0.000 0.610) 2.740 21.672 ( 2.974 0.000 0.000) 2.974 21.746 ( 2.322 0.000 1.241) 2.633 21.809 ( 2.545 0.000 0.811) 2.671 21.849 ( 5.591 0.000 1.398) 5.763 21.870 ( 4.573 0.000 1.650) 4.862 22.388 ( 0.408 0.000 0.396) 0.568 22.418 ( 1.974 0.000 -0.644) 2.076 22.472 ( -2.624 0.000 0.096) 2.625 22.549 ( -2.678 0.000 -0.021) 2.678 22.647 ( 2.382 0.000 -7.943) 8.293 22.689 ( 1.118 0.000 -7.168) 7.254 23.141 ( -1.626 0.000 -1.330) 2.100 23.153 ( -1.417 0.000 -2.343) 2.738 23.587 ( -5.038 0.000 -1.453) 5.244 23.603 ( -4.836 0.000 -4.001) 6.276 23.964 ( -0.897 0.000 0.401) 0.983 24.051 ( 0.833 0.000 -1.707) 1.900 24.626 ( -0.518 0.000 -1.862) 1.933 24.669 ( 0.167 0.000 1.051) 1.064 25.282 ( 2.384 0.000 -0.801) 2.515 25.326 ( 3.325 0.000 0.507) 3.363 ======================= Grid point 130 (76/104) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 17.947 0.000 3.982) 18.383 1.748 ( 10.095 0.000 -0.074) 10.096 1.797 ( 8.232 0.000 8.561) 11.877 1.897 ( -0.619 0.000 -6.185) 6.215 1.983 ( 8.130 0.000 1.843) 8.336 2.142 ( 5.202 0.000 -3.428) 6.230 2.167 ( 7.283 0.000 4.419) 8.519 2.210 ( 14.489 0.000 1.646) 14.582 2.394 ( 5.607 0.000 1.491) 5.802 2.466 ( 3.718 0.000 6.669) 7.635 2.755 ( -2.644 0.000 4.141) 4.913 2.760 ( -2.515 0.000 -5.825) 6.345 2.970 ( 6.085 0.000 5.679) 8.323 2.992 ( 21.798 0.000 -0.377) 21.802 3.042 ( 3.737 0.000 -3.393) 5.048 3.097 ( -4.675 0.000 -1.822) 5.018 3.174 ( 10.659 0.000 1.499) 10.764 3.184 ( 6.026 0.000 4.630) 7.600 3.310 ( -0.444 0.000 -1.248) 1.324 3.372 ( -2.442 0.000 -5.659) 6.164 3.445 ( -3.300 0.000 0.803) 3.397 3.476 ( 5.550 0.000 -2.862) 6.245 3.557 ( 11.163 0.000 -2.752) 11.497 3.688 ( 0.279 0.000 -5.977) 5.983 3.742 ( 3.595 0.000 -2.193) 4.211 3.750 ( 10.347 0.000 -5.331) 11.639 3.880 ( 5.554 0.000 -9.647) 11.131 3.941 ( 5.048 0.000 1.135) 5.175 3.961 ( 9.430 0.000 -2.105) 9.662 3.971 ( 4.724 0.000 -6.206) 7.800 3.998 ( 9.017 0.000 -3.006) 9.505 4.098 ( 6.919 0.000 -9.630) 11.857 4.160 ( 2.490 0.000 -5.826) 6.335 4.161 ( 4.828 0.000 -3.609) 6.028 4.241 ( 4.102 0.000 0.886) 4.196 4.254 ( 2.041 0.000 3.414) 3.977 4.335 ( 10.027 0.000 -4.959) 11.186 4.350 ( 5.963 0.000 -0.900) 6.030 4.392 ( 1.654 0.000 -9.508) 9.651 4.449 ( 11.478 0.000 0.711) 11.500 4.608 ( 10.199 0.000 -3.319) 10.726 4.681 ( -7.088 0.000 3.920) 8.100 4.731 ( -0.214 0.000 0.344) 0.405 4.789 ( 1.742 0.000 0.123) 1.746 4.811 ( 3.678 0.000 -4.080) 5.493 4.823 ( 7.281 0.000 0.007) 7.281 4.896 ( 0.374 0.000 -1.296) 1.349 4.897 ( -0.761 0.000 0.162) 0.778 5.034 ( 2.079 0.000 -3.668) 4.217 5.037 ( 0.544 0.000 -7.058) 7.079 5.085 ( 7.015 0.000 -0.582) 7.039 5.099 ( -9.444 0.000 -3.822) 10.188 5.243 ( -0.523 0.000 2.432) 2.488 5.265 ( 10.150 0.000 7.095) 12.384 5.313 ( 0.246 0.000 2.371) 2.384 5.316 ( -0.450 0.000 2.609) 2.648 5.326 ( -7.441 0.000 1.924) 7.686 5.342 ( -1.651 0.000 -0.804) 1.837 5.451 ( -3.921 0.000 6.653) 7.722 5.588 ( 0.215 0.000 -1.291) 1.309 5.591 ( 4.694 0.000 -5.801) 7.462 5.619 ( -1.193 0.000 3.319) 3.527 5.655 ( 3.176 0.000 9.366) 9.889 5.676 ( -3.175 0.000 -2.815) 4.244 5.773 ( -1.756 0.000 -0.718) 1.897 5.787 ( -1.291 0.000 -2.031) 2.406 5.829 ( 7.072 0.000 1.034) 7.148 5.882 ( 2.126 0.000 10.461) 10.675 5.911 ( -0.189 0.000 1.975) 1.984 5.958 ( 7.886 0.000 -2.902) 8.403 5.999 ( 6.636 0.000 6.071) 8.994 6.102 ( -1.262 0.000 7.780) 7.881 6.171 ( 8.969 0.000 0.305) 8.974 6.186 ( 4.040 0.000 6.680) 7.807 6.242 ( 6.962 0.000 6.684) 9.652 6.282 ( 0.960 0.000 2.210) 2.409 6.358 ( 1.489 0.000 0.000) 1.489 6.473 ( -7.384 0.000 2.639) 7.842 6.566 ( -6.725 0.000 2.739) 7.261 6.688 ( -1.173 0.000 2.159) 2.457 6.745 ( 5.333 0.000 4.194) 6.785 6.808 ( -5.991 0.000 3.129) 6.759 6.970 ( -1.137 0.000 3.592) 3.768 6.972 ( -1.517 0.000 0.119) 1.522 7.020 ( 2.424 0.000 0.982) 2.615 7.068 ( 3.379 0.000 1.644) 3.758 7.078 ( -0.617 0.000 -1.399) 1.529 7.144 ( 4.600 0.000 -6.865) 8.264 7.149 ( 1.213 0.000 0.304) 1.250 7.160 ( -5.546 0.000 1.917) 5.868 7.317 ( 3.018 0.000 3.580) 4.683 7.340 ( 2.529 0.000 -9.063) 9.410 7.441 ( 2.824 0.000 4.334) 5.173 7.500 ( 2.738 0.000 3.155) 4.177 7.573 ( -0.881 0.000 0.322) 0.938 7.662 ( 0.024 0.000 0.860) 0.860 7.715 ( -5.369 0.000 0.939) 5.451 7.794 ( -8.827 0.000 -4.901) 10.096 7.851 ( -6.850 0.000 1.245) 6.963 7.866 ( 2.214 0.000 -1.517) 2.683 7.889 ( -0.704 0.000 3.048) 3.128 7.976 ( 4.505 0.000 -3.274) 5.569 8.042 ( -2.171 0.000 -0.662) 2.269 8.062 ( 2.308 0.000 -4.964) 5.474 8.090 ( -1.438 0.000 8.685) 8.803 8.122 ( -2.083 0.000 0.214) 2.094 8.227 ( -4.754 0.000 5.745) 7.457 8.250 ( 2.972 0.000 2.374) 3.804 8.289 ( 0.594 0.000 0.452) 0.747 8.291 ( -1.152 0.000 6.131) 6.239 8.345 ( -5.609 0.000 -0.611) 5.642 8.467 ( -5.127 0.000 -0.876) 5.201 8.485 ( -6.996 0.000 0.127) 6.997 8.568 ( 5.580 0.000 5.794) 8.045 8.597 ( 2.839 0.000 1.463) 3.194 8.717 ( 0.967 0.000 -6.169) 6.244 8.807 ( 1.695 0.000 -3.368) 3.770 8.850 ( 3.112 0.000 4.409) 5.397 8.912 ( -2.340 0.000 -0.996) 2.543 8.961 ( 2.108 0.000 -0.111) 2.111 8.995 ( -5.055 0.000 1.491) 5.270 9.093 ( -2.688 0.000 2.393) 3.599 9.222 ( 1.604 0.000 -3.333) 3.699 9.263 ( -3.072 0.000 -1.116) 3.269 9.390 ( -3.851 0.000 -5.776) 6.942 9.435 ( -0.604 0.000 -0.548) 0.816 9.737 ( -1.907 0.000 1.996) 2.761 9.812 ( -1.362 0.000 -0.577) 1.480 9.881 ( -5.865 0.000 -1.767) 6.126 9.988 ( -6.662 0.000 -3.319) 7.443 9.990 ( -4.579 0.000 4.080) 6.133 10.167 ( -9.651 0.000 3.840) 10.386 10.206 ( -3.504 0.000 -0.370) 3.524 10.434 ( -10.603 0.000 -4.378) 11.471 10.440 ( -6.182 0.000 -2.321) 6.604 10.485 ( -8.465 0.000 -2.784) 8.911 11.583 ( -7.497 0.000 1.081) 7.575 11.675 ( -8.757 0.000 -0.468) 8.770 11.738 ( -2.909 0.000 -0.640) 2.978 11.746 ( -4.386 0.000 -1.617) 4.675 12.008 ( -2.944 0.000 7.535) 8.090 12.083 ( -1.095 0.000 1.583) 1.924 12.387 ( 0.622 0.000 5.105) 5.142 12.410 ( 6.457 0.000 3.778) 7.481 12.491 ( 2.782 0.000 -0.725) 2.875 12.562 ( 7.129 0.000 2.177) 7.454 12.606 ( 5.396 0.000 2.477) 5.938 12.720 ( 2.462 0.000 1.651) 2.965 13.019 ( 6.818 0.000 3.075) 7.479 13.098 ( 11.193 0.000 4.496) 12.062 13.173 ( 7.404 0.000 0.946) 7.465 13.267 ( 8.144 0.000 -0.635) 8.169 13.356 ( 3.987 0.000 6.508) 7.633 13.422 ( 3.748 0.000 6.930) 7.879 14.518 ( 4.921 0.000 2.812) 5.668 14.520 ( 5.973 0.000 1.253) 6.103 15.324 ( 5.372 0.000 2.399) 5.883 15.362 ( 6.808 0.000 0.416) 6.820 15.892 ( 2.197 0.000 0.243) 2.210 15.977 ( 1.495 0.000 1.444) 2.078 20.622 ( 1.732 0.000 0.794) 1.905 20.632 ( 1.777 0.000 2.373) 2.965 20.671 ( 1.495 0.000 0.899) 1.744 20.711 ( 1.451 0.000 2.674) 3.042 21.682 ( 2.938 0.000 -0.044) 2.938 21.721 ( 3.110 0.000 -0.591) 3.166 21.803 ( 2.901 0.000 1.316) 3.186 21.866 ( 3.031 0.000 0.873) 3.154 21.966 ( 6.201 0.000 1.709) 6.432 21.972 ( 5.183 0.000 2.054) 5.576 22.386 ( -1.113 0.000 -0.172) 1.126 22.417 ( -3.289 0.000 -0.821) 3.390 22.438 ( 2.192 0.000 -2.922) 3.653 22.492 ( -2.037 0.000 -2.979) 3.609 22.582 ( 0.361 0.000 -10.441) 10.448 22.611 ( -0.422 0.000 -10.222) 10.230 23.089 ( -2.454 0.000 -2.124) 3.246 23.095 ( -2.247 0.000 -2.858) 3.636 23.475 ( -6.456 0.000 -1.292) 6.584 23.477 ( -6.035 0.000 -2.814) 6.658 23.964 ( -0.199 0.000 1.462) 1.475 24.055 ( 0.794 0.000 -0.533) 0.956 24.618 ( 0.837 0.000 -0.358) 0.910 24.681 ( -0.218 0.000 1.510) 1.526 25.331 ( 3.613 0.000 0.416) 3.637 25.391 ( 3.485 0.000 0.862) 3.590 ======================= Grid point 131 (77/104) ======================= q-point: (-0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -5.125 0.000 3.725) 6.335 1.789 ( 0.821 0.000 0.308) 0.877 1.906 ( 3.838 0.000 -1.495) 4.119 2.042 ( 7.938 0.000 1.483) 8.076 2.167 ( 9.472 0.000 8.519) 12.739 2.279 ( 8.868 0.000 4.612) 9.996 2.352 ( 8.392 0.000 5.210) 9.878 2.389 ( 2.915 0.000 6.067) 6.731 2.470 ( 2.127 0.000 -0.363) 2.157 2.471 ( -5.531 0.000 7.621) 9.417 2.688 ( -1.067 0.000 -4.324) 4.453 2.746 ( -0.513 0.000 2.473) 2.526 2.972 ( -6.925 0.000 2.128) 7.244 2.998 ( -1.747 0.000 -3.101) 3.559 3.061 ( -6.436 0.000 0.662) 6.470 3.248 ( 0.164 0.000 1.368) 1.378 3.269 ( 1.932 0.000 -0.986) 2.170 3.294 ( 1.832 0.000 -2.027) 2.732 3.297 ( 5.574 0.000 -2.947) 6.305 3.466 ( 4.089 0.000 2.186) 4.637 3.495 ( 15.718 0.000 2.102) 15.858 3.544 ( -0.239 0.000 -4.657) 4.663 3.628 ( 7.484 0.000 -7.395) 10.521 3.696 ( 10.364 0.000 -3.369) 10.898 3.741 ( 1.777 0.000 -5.450) 5.733 3.788 ( 1.582 0.000 -5.121) 5.360 3.912 ( 7.057 0.000 -8.708) 11.208 3.986 ( -2.688 0.000 -1.707) 3.184 4.005 ( -1.218 0.000 -4.543) 4.704 4.018 ( 6.648 0.000 -3.685) 7.601 4.104 ( 3.518 0.000 -0.267) 3.529 4.105 ( -1.633 0.000 -6.883) 7.074 4.169 ( 8.296 0.000 0.419) 8.306 4.171 ( 9.035 0.000 -4.473) 10.081 4.269 ( 3.263 0.000 -1.637) 3.650 4.318 ( 3.515 0.000 -8.392) 9.098 4.382 ( 0.043 0.000 -4.902) 4.902 4.382 ( 1.109 0.000 -7.041) 7.127 4.513 ( 10.814 0.000 3.338) 11.318 4.517 ( -1.234 0.000 -3.472) 3.685 4.612 ( -5.714 0.000 -7.296) 9.267 4.631 ( -6.047 0.000 -4.119) 7.317 4.736 ( -1.890 0.000 -2.880) 3.445 4.766 ( 4.768 0.000 5.723) 7.449 4.793 ( 0.769 0.000 -6.115) 6.163 4.846 ( 9.720 0.000 -0.856) 9.758 4.878 ( -4.002 0.000 1.204) 4.179 4.891 ( -4.257 0.000 -3.566) 5.553 4.986 ( -4.483 0.000 -2.461) 5.115 5.014 ( -6.547 0.000 0.422) 6.560 5.069 ( 5.026 0.000 7.324) 8.882 5.134 ( 2.034 0.000 -1.037) 2.283 5.165 ( -2.647 0.000 0.946) 2.810 5.178 ( -3.756 0.000 -4.610) 5.946 5.271 ( -5.381 0.000 -2.559) 5.958 5.286 ( -0.433 0.000 3.343) 3.371 5.381 ( -2.162 0.000 -0.531) 2.226 5.394 ( -3.239 0.000 2.327) 3.988 5.553 ( -3.008 0.000 -8.044) 8.589 5.559 ( 3.825 0.000 4.180) 5.666 5.646 ( 1.201 0.000 1.011) 1.570 5.659 ( 6.401 0.000 2.913) 7.033 5.675 ( 9.962 0.000 2.908) 10.378 5.741 ( -1.665 0.000 5.280) 5.536 5.848 ( 10.953 0.000 5.382) 12.203 5.880 ( 7.950 0.000 4.792) 9.283 5.956 ( 1.459 0.000 3.195) 3.512 6.031 ( 11.413 0.000 9.852) 15.077 6.082 ( 6.086 0.000 -0.870) 6.148 6.133 ( 10.867 0.000 13.632) 17.433 6.148 ( 1.564 0.000 0.481) 1.637 6.151 ( 5.370 0.000 3.910) 6.643 6.280 ( -4.831 0.000 9.354) 10.528 6.318 ( 8.903 0.000 -3.423) 9.538 6.372 ( 7.476 0.000 4.972) 8.978 6.423 ( 2.947 0.000 10.925) 11.315 6.451 ( -0.691 0.000 5.176) 5.222 6.532 ( 9.445 0.000 7.469) 12.041 6.534 ( 5.358 0.000 6.495) 8.419 6.676 ( -2.876 0.000 5.374) 6.095 6.736 ( -4.161 0.000 1.390) 4.387 6.866 ( -1.703 0.000 2.854) 3.323 6.872 ( -3.022 0.000 -3.398) 4.548 6.974 ( -3.985 0.000 1.621) 4.302 7.041 ( 0.095 0.000 2.059) 2.061 7.041 ( -3.288 0.000 -0.674) 3.357 7.105 ( -0.244 0.000 2.793) 2.804 7.117 ( -3.562 0.000 -3.832) 5.232 7.179 ( 3.465 0.000 3.810) 5.150 7.180 ( 2.705 0.000 -0.503) 2.752 7.317 ( 2.739 0.000 -5.565) 6.202 7.409 ( 0.430 0.000 1.769) 1.820 7.418 ( -3.034 0.000 -1.721) 3.488 7.547 ( -6.152 0.000 0.996) 6.232 7.573 ( -3.043 0.000 4.967) 5.825 7.596 ( -2.118 0.000 -4.285) 4.780 7.655 ( -4.134 0.000 0.455) 4.159 7.677 ( -1.374 0.000 0.048) 1.375 7.732 ( -1.506 0.000 0.219) 1.522 7.775 ( -8.754 0.000 -0.471) 8.767 7.885 ( -1.906 0.000 -4.938) 5.293 7.948 ( -4.027 0.000 -0.826) 4.111 8.020 ( 1.322 0.000 -4.463) 4.655 8.023 ( 0.860 0.000 -2.080) 2.251 8.107 ( -5.465 0.000 3.693) 6.595 8.125 ( -0.065 0.000 -0.961) 0.963 8.158 ( -2.049 0.000 -0.349) 2.079 8.192 ( -4.935 0.000 -1.681) 5.214 8.262 ( -7.422 0.000 -2.057) 7.701 8.291 ( 1.488 0.000 -0.925) 1.752 8.374 ( 1.353 0.000 5.810) 5.965 8.443 ( 2.431 0.000 5.951) 6.429 8.484 ( 2.349 0.000 1.970) 3.066 8.611 ( -3.961 0.000 -5.722) 6.959 8.613 ( 1.481 0.000 -5.680) 5.870 8.708 ( 4.476 0.000 2.633) 5.193 8.793 ( -0.255 0.000 -5.431) 5.437 8.870 ( -1.213 0.000 1.282) 1.765 8.913 ( 4.546 0.000 2.655) 5.265 8.961 ( -1.014 0.000 2.235) 2.454 8.982 ( -1.772 0.000 4.358) 4.705 9.148 ( 4.631 0.000 0.840) 4.707 9.192 ( 0.857 0.000 -5.324) 5.393 9.229 ( 1.807 0.000 -5.324) 5.622 9.378 ( 4.469 0.000 0.089) 4.470 9.427 ( -1.322 0.000 1.846) 2.271 9.746 ( 0.967 0.000 2.368) 2.558 9.789 ( -0.355 0.000 -1.818) 1.852 9.796 ( -3.761 0.000 -0.469) 3.790 9.863 ( -4.178 0.000 -0.466) 4.204 9.946 ( -3.150 0.000 1.916) 3.687 10.097 ( -3.849 0.000 3.736) 5.364 10.157 ( -1.410 0.000 -1.888) 2.356 10.205 ( -9.324 0.000 -6.392) 11.305 10.308 ( -8.085 0.000 -4.155) 9.090 10.315 ( -4.888 0.000 -4.449) 6.610 11.467 ( -6.007 0.000 -0.695) 6.047 11.520 ( -6.372 0.000 -2.667) 6.908 11.633 ( -6.258 0.000 -2.071) 6.592 11.653 ( -4.349 0.000 -3.395) 5.517 12.081 ( 0.768 0.000 8.494) 8.529 12.138 ( 3.642 0.000 3.776) 5.246 12.452 ( 0.088 0.000 5.807) 5.808 12.529 ( 2.394 0.000 0.846) 2.539 12.545 ( 4.133 0.000 3.805) 5.618 12.659 ( 3.538 0.000 0.097) 3.539 12.740 ( 5.911 0.000 4.755) 7.586 12.800 ( 2.842 0.000 4.845) 5.617 13.189 ( 7.173 0.000 6.502) 9.681 13.278 ( 3.110 0.000 2.264) 3.846 13.298 ( 6.935 0.000 3.363) 7.707 13.362 ( 3.597 0.000 2.117) 4.174 13.511 ( 5.654 0.000 7.441) 9.345 13.581 ( 5.888 0.000 6.525) 8.789 14.620 ( 3.842 0.000 2.398) 4.529 14.630 ( 5.213 0.000 1.319) 5.377 15.427 ( 3.957 0.000 2.308) 4.581 15.469 ( 5.112 0.000 0.317) 5.122 15.943 ( 3.157 0.000 0.664) 3.226 16.004 ( 0.285 0.000 1.067) 1.105 20.660 ( 1.674 0.000 0.997) 1.949 20.681 ( 1.272 0.000 1.930) 2.312 20.711 ( 1.917 0.000 1.278) 2.304 20.754 ( 0.742 0.000 2.125) 2.251 21.725 ( 2.468 0.000 -0.519) 2.522 21.761 ( 2.451 0.000 -1.144) 2.705 21.866 ( 2.616 0.000 2.083) 3.344 21.919 ( 2.025 0.000 1.161) 2.334 22.072 ( 4.369 0.000 1.842) 4.741 22.082 ( 5.217 0.000 1.579) 5.451 22.343 ( -3.529 0.000 -0.033) 3.530 22.352 ( -3.774 0.000 -0.200) 3.779 22.423 ( -0.245 0.000 -5.963) 5.968 22.432 ( -0.519 0.000 -5.399) 5.424 22.465 ( -1.150 0.000 -11.103) 11.162 22.494 ( -0.422 0.000 -11.010) 11.018 23.028 ( -2.468 0.000 -1.460) 2.867 23.032 ( -2.273 0.000 -1.862) 2.938 23.357 ( -5.505 0.000 -1.119) 5.617 23.358 ( -6.046 0.000 -0.380) 6.058 23.983 ( 0.737 0.000 1.629) 1.788 24.065 ( 1.134 0.000 -0.737) 1.352 24.646 ( 2.688 0.000 -0.057) 2.689 24.688 ( -0.345 0.000 0.923) 0.985 25.404 ( 4.250 0.000 0.682) 4.304 25.454 ( 3.151 0.000 0.303) 3.166 ======================= Grid point 133 (78/104) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -4.831 0.000 0.914) 4.916 1.864 ( 9.124 0.000 -5.414) 10.609 1.951 ( -0.279 0.000 11.964) 11.967 2.128 ( -0.245 0.000 7.047) 7.052 2.314 ( -8.978 0.000 1.918) 9.181 2.340 ( -2.204 0.000 2.145) 3.076 2.376 ( -8.273 0.000 3.082) 8.829 2.463 ( 6.029 0.000 3.246) 6.847 2.564 ( 4.826 0.000 2.741) 5.550 2.583 ( 5.029 0.000 2.646) 5.683 2.649 ( 0.504 0.000 4.538) 4.566 2.731 ( -4.803 0.000 -0.840) 4.876 2.906 ( -6.353 0.000 7.012) 9.462 2.961 ( -0.054 0.000 -1.288) 1.289 2.969 ( -0.876 0.000 4.514) 4.598 3.160 ( -10.003 0.000 1.425) 10.104 3.205 ( -9.596 0.000 -3.446) 10.196 3.266 ( -0.193 0.000 3.264) 3.270 3.388 ( 5.601 0.000 -1.649) 5.839 3.511 ( -4.008 0.000 2.695) 4.829 3.523 ( 7.327 0.000 -8.275) 11.053 3.651 ( 0.882 0.000 -1.264) 1.541 3.681 ( 6.326 0.000 -9.297) 11.246 3.715 ( -1.563 0.000 -4.845) 5.091 3.730 ( 4.420 0.000 -5.696) 7.209 3.801 ( -7.352 0.000 -4.303) 8.518 3.815 ( -2.937 0.000 -1.621) 3.354 3.916 ( -4.018 0.000 -3.040) 5.038 3.986 ( -6.907 0.000 -7.042) 9.864 4.022 ( -0.699 0.000 -1.041) 1.254 4.058 ( 1.920 0.000 3.015) 3.575 4.090 ( -3.243 0.000 -0.754) 3.329 4.158 ( -9.616 0.000 -7.510) 12.202 4.211 ( -0.432 0.000 -7.591) 7.604 4.220 ( -1.846 0.000 0.281) 1.868 4.272 ( -4.871 0.000 -4.101) 6.368 4.337 ( 6.825 0.000 -0.488) 6.842 4.389 ( -5.560 0.000 -2.391) 6.052 4.488 ( -1.834 0.000 -1.455) 2.341 4.494 ( 3.667 0.000 1.069) 3.819 4.569 ( 12.146 0.000 6.482) 13.768 4.654 ( -6.019 0.000 -3.486) 6.955 4.712 ( -3.298 0.000 -3.358) 4.706 4.737 ( -17.126 0.000 0.472) 17.132 4.796 ( 0.571 0.000 3.167) 3.218 4.813 ( -11.012 0.000 0.834) 11.044 4.853 ( 4.422 0.000 0.103) 4.423 4.874 ( 4.675 0.000 0.025) 4.675 4.935 ( 5.574 0.000 3.581) 6.625 4.962 ( 5.459 0.000 -2.146) 5.866 5.082 ( -2.009 0.000 -1.954) 2.803 5.096 ( -4.824 0.000 -3.098) 5.733 5.184 ( -3.248 0.000 -1.446) 3.555 5.190 ( 0.073 0.000 -0.671) 0.675 5.237 ( 5.357 0.000 1.224) 5.495 5.328 ( -0.660 0.000 -0.883) 1.103 5.332 ( 3.207 0.000 0.246) 3.217 5.346 ( 2.916 0.000 -0.664) 2.991 5.510 ( 4.495 0.000 -1.004) 4.606 5.589 ( -1.524 0.000 0.276) 1.549 5.677 ( -3.118 0.000 -1.514) 3.466 5.741 ( 4.040 0.000 -3.267) 5.196 5.750 ( -1.603 0.000 5.706) 5.927 5.895 ( 8.990 0.000 0.456) 9.001 6.013 ( 5.698 0.000 0.509) 5.721 6.040 ( 5.254 0.000 1.275) 5.407 6.050 ( 5.299 0.000 4.004) 6.642 6.131 ( -6.803 0.000 -3.178) 7.508 6.144 ( 2.124 0.000 2.352) 3.169 6.189 ( 3.710 0.000 3.775) 5.293 6.301 ( 0.529 0.000 10.099) 10.112 6.391 ( 4.193 0.000 0.237) 4.200 6.438 ( 11.356 0.000 5.594) 12.659 6.446 ( 8.128 0.000 7.386) 10.983 6.509 ( 3.983 0.000 10.175) 10.927 6.560 ( 4.601 0.000 9.823) 10.847 6.623 ( 1.798 0.000 -4.884) 5.205 6.630 ( -2.246 0.000 2.763) 3.561 6.656 ( -1.564 0.000 5.955) 6.157 6.732 ( -0.850 0.000 8.403) 8.446 6.759 ( 8.027 0.000 5.221) 9.576 6.772 ( -0.352 0.000 8.442) 8.450 6.832 ( -5.749 0.000 -0.264) 5.755 6.875 ( -5.080 0.000 -3.489) 6.163 6.947 ( -3.944 0.000 -6.124) 7.285 7.044 ( -1.962 0.000 3.787) 4.265 7.048 ( -6.520 0.000 4.032) 7.666 7.108 ( 1.292 0.000 1.197) 1.761 7.191 ( -2.066 0.000 5.753) 6.113 7.234 ( -1.372 0.000 -1.569) 2.084 7.286 ( -3.958 0.000 -4.570) 6.046 7.329 ( -9.494 0.000 -1.480) 9.609 7.397 ( 2.743 0.000 0.183) 2.750 7.452 ( 1.466 0.000 -0.910) 1.725 7.509 ( -8.194 0.000 4.059) 9.144 7.599 ( -0.185 0.000 -1.883) 1.892 7.610 ( 6.687 0.000 -2.594) 7.172 7.674 ( 0.360 0.000 -1.595) 1.635 7.687 ( -3.139 0.000 2.318) 3.902 7.726 ( -1.796 0.000 -1.691) 2.467 7.800 ( -1.795 0.000 0.384) 1.836 7.898 ( -4.007 0.000 -4.462) 5.997 7.923 ( -2.306 0.000 2.416) 3.340 8.009 ( 1.322 0.000 -4.835) 5.013 8.028 ( -5.356 0.000 2.344) 5.846 8.094 ( -0.751 0.000 0.216) 0.782 8.173 ( 1.865 0.000 1.724) 2.540 8.194 ( 4.590 0.000 -2.465) 5.210 8.198 ( 1.398 0.000 -3.159) 3.455 8.297 ( 2.213 0.000 -3.326) 3.995 8.464 ( 4.136 0.000 5.204) 6.647 8.501 ( -3.366 0.000 -1.117) 3.547 8.513 ( -0.348 0.000 1.878) 1.910 8.532 ( 2.827 0.000 -1.027) 3.008 8.573 ( 1.900 0.000 -6.723) 6.986 8.737 ( 0.156 0.000 -6.346) 6.347 8.821 ( 5.389 0.000 3.344) 6.342 8.891 ( 1.036 0.000 1.067) 1.487 8.967 ( 0.163 0.000 1.030) 1.043 8.980 ( -0.475 0.000 -0.643) 0.799 9.052 ( 8.720 0.000 -1.149) 8.795 9.166 ( 3.372 0.000 -2.620) 4.270 9.225 ( 2.937 0.000 -5.984) 6.666 9.228 ( 5.039 0.000 -5.761) 7.654 9.428 ( -0.544 0.000 1.799) 1.880 9.458 ( 4.576 0.000 0.411) 4.594 9.734 ( -2.628 0.000 -0.645) 2.706 9.764 ( 1.051 0.000 -1.979) 2.241 9.805 ( 1.939 0.000 3.179) 3.724 9.867 ( 2.376 0.000 1.035) 2.592 9.939 ( 1.139 0.000 0.820) 1.403 10.033 ( -3.733 0.000 -4.243) 5.651 10.091 ( -0.227 0.000 1.712) 1.726 10.117 ( -0.283 0.000 -3.959) 3.970 10.163 ( -3.791 0.000 -3.132) 4.918 10.209 ( -1.973 0.000 -3.938) 4.404 11.393 ( -1.292 0.000 -0.558) 1.408 11.433 ( -0.596 0.000 -2.540) 2.609 11.536 ( -2.533 0.000 -1.052) 2.743 11.570 ( -0.855 0.000 -2.769) 2.898 12.151 ( -1.688 0.000 6.564) 6.777 12.234 ( 3.472 0.000 2.057) 4.036 12.483 ( -2.534 0.000 4.925) 5.538 12.571 ( 1.652 0.000 0.624) 1.766 12.622 ( 0.573 0.000 3.555) 3.601 12.709 ( 2.730 0.000 -0.685) 2.814 12.866 ( -0.826 0.000 4.093) 4.175 12.872 ( 3.997 0.000 3.793) 5.510 13.326 ( 0.192 0.000 2.118) 2.126 13.354 ( 4.251 0.000 6.357) 7.648 13.380 ( 2.190 0.000 0.043) 2.190 13.437 ( 0.958 0.000 2.244) 2.440 13.653 ( 2.702 0.000 6.164) 6.731 13.698 ( 1.260 0.000 3.781) 3.986 14.682 ( 1.458 0.000 0.969) 1.751 14.707 ( 2.979 0.000 -0.137) 2.982 15.492 ( 1.665 0.000 1.105) 1.998 15.531 ( 2.354 0.000 -0.851) 2.503 16.005 ( 3.601 0.000 0.102) 3.603 16.006 ( -0.595 0.000 -0.016) 0.595 20.693 ( 1.046 0.000 0.902) 1.381 20.704 ( -0.220 0.000 0.751) 0.782 20.756 ( 1.848 0.000 1.127) 2.165 20.770 ( -0.600 0.000 0.784) 0.988 21.752 ( 1.208 0.000 -0.627) 1.361 21.773 ( 0.327 0.000 -1.757) 1.787 21.928 ( 1.247 0.000 3.773) 3.973 21.961 ( 1.067 0.000 2.532) 2.748 22.134 ( 1.402 0.000 -1.521) 2.069 22.145 ( 1.166 0.000 -2.035) 2.346 22.281 ( -3.830 0.000 0.471) 3.859 22.288 ( -4.029 0.000 0.533) 4.064 22.297 ( -3.761 0.000 -6.678) 7.664 22.363 ( 0.175 0.000 -7.083) 7.085 22.363 ( -1.604 0.000 -5.167) 5.410 22.429 ( 1.719 0.000 -6.841) 7.054 22.985 ( -1.687 0.000 -0.017) 1.687 22.989 ( -1.574 0.000 -0.264) 1.596 23.282 ( -3.381 0.000 1.896) 3.877 23.289 ( -2.474 0.000 1.656) 2.978 24.017 ( 1.648 0.000 1.055) 1.957 24.080 ( 2.242 0.000 -1.950) 2.971 24.689 ( 0.122 0.000 -0.360) 0.380 24.703 ( 4.523 0.000 -1.044) 4.642 25.476 ( 3.937 0.000 -0.572) 3.979 25.496 ( 2.398 0.000 -1.533) 2.847 ======================= Grid point 134 (79/104) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -0.809 0.000 1.233) 1.475 1.917 ( -0.770 0.000 -5.181) 5.238 2.067 ( -8.771 0.000 5.866) 10.552 2.168 ( -1.000 0.000 11.401) 11.445 2.194 ( -7.511 0.000 0.274) 7.516 2.242 ( -0.955 0.000 10.776) 10.818 2.347 ( 0.259 0.000 12.127) 12.130 2.545 ( -0.131 0.000 -1.372) 1.379 2.559 ( -3.879 0.000 -2.562) 4.649 2.572 ( -2.809 0.000 -0.730) 2.902 2.635 ( -5.858 0.000 -0.854) 5.920 2.764 ( 0.797 0.000 1.885) 2.046 2.870 ( -7.214 0.000 7.010) 10.059 2.956 ( -1.565 0.000 1.239) 1.996 3.007 ( -7.515 0.000 -0.029) 7.515 3.035 ( 0.833 0.000 3.019) 3.131 3.048 ( -7.675 0.000 5.256) 9.302 3.241 ( -7.074 0.000 0.347) 7.083 3.324 ( -9.233 0.000 -1.151) 9.305 3.471 ( -7.469 0.000 2.661) 7.929 3.494 ( -8.242 0.000 -5.728) 10.037 3.573 ( -5.681 0.000 -9.912) 11.424 3.610 ( -12.225 0.000 2.111) 12.406 3.627 ( -5.523 0.000 -1.835) 5.820 3.634 ( -0.720 0.000 -1.857) 1.992 3.688 ( -9.099 0.000 -9.094) 12.865 3.749 ( -3.879 0.000 3.008) 4.908 3.773 ( 4.176 0.000 0.702) 4.235 3.814 ( -15.088 0.000 5.407) 16.028 3.927 ( -9.082 0.000 -3.084) 9.592 3.973 ( -8.476 0.000 4.496) 9.594 4.037 ( -6.902 0.000 0.846) 6.954 4.043 ( -4.661 0.000 3.395) 5.767 4.073 ( 0.805 0.000 -5.155) 5.217 4.195 ( -2.333 0.000 0.947) 2.518 4.222 ( -5.946 0.000 -7.230) 9.361 4.234 ( 1.069 0.000 0.855) 1.369 4.378 ( -15.183 0.000 -2.873) 15.452 4.392 ( -8.531 0.000 4.859) 9.818 4.493 ( -8.313 0.000 -0.392) 8.322 4.498 ( -1.080 0.000 5.236) 5.346 4.618 ( -6.635 0.000 0.588) 6.661 4.676 ( -2.025 0.000 -0.062) 2.026 4.677 ( 1.202 0.000 -1.949) 2.290 4.777 ( 10.264 0.000 5.087) 11.456 4.793 ( -0.646 0.000 2.987) 3.057 4.933 ( -0.676 0.000 -2.736) 2.818 4.944 ( 4.717 0.000 3.729) 6.013 4.986 ( 2.683 0.000 -2.048) 3.375 5.011 ( -5.606 0.000 0.227) 5.610 5.084 ( 6.165 0.000 4.777) 7.799 5.123 ( 3.456 0.000 -1.377) 3.720 5.129 ( -2.602 0.000 -0.290) 2.618 5.192 ( 11.016 0.000 -1.604) 11.132 5.324 ( 4.003 0.000 0.398) 4.022 5.360 ( 2.678 0.000 -5.238) 5.883 5.414 ( 3.867 0.000 0.846) 3.959 5.429 ( 3.965 0.000 1.086) 4.111 5.475 ( -11.577 0.000 -3.112) 11.988 5.565 ( 5.013 0.000 0.445) 5.033 5.590 ( 1.270 0.000 -0.048) 1.271 5.752 ( -5.836 0.000 -3.276) 6.692 5.794 ( 7.072 0.000 -5.201) 8.779 5.920 ( -11.135 0.000 -2.796) 11.481 6.007 ( -1.721 0.000 -1.775) 2.472 6.020 ( -3.236 0.000 -0.792) 3.331 6.031 ( -2.534 0.000 -2.043) 3.254 6.113 ( 0.289 0.000 2.556) 2.572 6.161 ( -2.498 0.000 -5.345) 5.900 6.246 ( 0.013 0.000 1.914) 1.914 6.328 ( -9.770 0.000 -2.160) 10.006 6.399 ( -3.582 0.000 2.901) 4.609 6.424 ( -3.925 0.000 -0.143) 3.928 6.438 ( -4.171 0.000 -6.376) 7.619 6.536 ( 1.119 0.000 4.980) 5.105 6.602 ( -10.442 0.000 1.517) 10.551 6.656 ( 1.638 0.000 -0.537) 1.724 6.681 ( -1.266 0.000 -1.606) 2.045 6.724 ( -2.181 0.000 -1.933) 2.914 6.778 ( -5.574 0.000 -0.411) 5.589 6.817 ( 1.823 0.000 -2.376) 2.995 6.817 ( 7.459 0.000 7.300) 10.437 6.842 ( 3.836 0.000 4.834) 6.171 6.875 ( 0.681 0.000 -2.397) 2.492 6.988 ( 1.787 0.000 10.998) 11.142 7.021 ( 3.301 0.000 2.198) 3.966 7.022 ( -5.730 0.000 3.577) 6.755 7.105 ( -2.228 0.000 3.438) 4.097 7.156 ( 2.464 0.000 -2.018) 3.185 7.217 ( -1.596 0.000 2.718) 3.152 7.244 ( 4.400 0.000 0.866) 4.485 7.306 ( 2.889 0.000 11.558) 11.914 7.390 ( -4.419 0.000 -0.861) 4.502 7.487 ( 0.748 0.000 4.340) 4.404 7.521 ( 4.247 0.000 0.944) 4.350 7.579 ( -5.096 0.000 -6.462) 8.229 7.599 ( -0.070 0.000 0.408) 0.414 7.670 ( -1.249 0.000 -0.039) 1.250 7.708 ( 2.818 0.000 1.451) 3.170 7.762 ( 11.296 0.000 -2.229) 11.514 7.808 ( -2.921 0.000 -0.692) 3.002 7.825 ( 2.353 0.000 1.553) 2.819 7.952 ( 2.497 0.000 -0.808) 2.624 8.026 ( 4.865 0.000 -0.965) 4.960 8.029 ( 1.597 0.000 4.638) 4.905 8.124 ( 3.252 0.000 0.218) 3.259 8.191 ( 1.611 0.000 -3.049) 3.449 8.232 ( 3.575 0.000 0.909) 3.688 8.266 ( 6.932 0.000 -2.335) 7.315 8.300 ( 2.385 0.000 -5.881) 6.346 8.465 ( -2.365 0.000 1.881) 3.022 8.497 ( -1.933 0.000 1.038) 2.194 8.548 ( 2.751 0.000 -2.873) 3.978 8.558 ( 6.066 0.000 -1.988) 6.383 8.659 ( -0.871 0.000 -8.311) 8.356 8.668 ( 8.172 0.000 3.465) 8.876 8.856 ( -3.319 0.000 -1.755) 3.754 8.884 ( 0.789 0.000 -1.670) 1.847 8.980 ( 0.469 0.000 -1.227) 1.313 9.015 ( 3.193 0.000 2.989) 4.374 9.140 ( 4.706 0.000 -5.203) 7.016 9.147 ( -0.900 0.000 -9.088) 9.132 9.226 ( 7.581 0.000 -6.202) 9.794 9.299 ( 7.891 0.000 -4.300) 8.986 9.444 ( 1.212 0.000 0.107) 1.217 9.531 ( 4.251 0.000 -1.060) 4.381 9.705 ( -0.504 0.000 0.668) 0.837 9.781 ( 1.126 0.000 -1.251) 1.683 9.858 ( 2.192 0.000 1.374) 2.587 9.909 ( 2.690 0.000 -2.625) 3.759 9.986 ( 1.254 0.000 -2.666) 2.946 10.019 ( 7.836 0.000 0.971) 7.896 10.119 ( 3.316 0.000 0.087) 3.317 10.139 ( 6.699 0.000 1.542) 6.874 10.160 ( 3.817 0.000 1.916) 4.271 10.189 ( 2.486 0.000 -1.628) 2.972 11.433 ( 6.084 0.000 1.002) 6.166 11.454 ( 4.972 0.000 -0.865) 5.046 11.551 ( 4.224 0.000 1.095) 4.364 11.589 ( 4.487 0.000 -0.127) 4.488 12.145 ( -4.675 0.000 3.820) 6.037 12.274 ( 0.498 0.000 -1.128) 1.233 12.467 ( -4.191 0.000 3.853) 5.693 12.591 ( 0.332 0.000 -0.570) 0.660 12.629 ( -2.390 0.000 1.700) 2.933 12.717 ( -0.345 0.000 -3.149) 3.168 12.842 ( -4.870 0.000 1.099) 4.992 12.920 ( -0.968 0.000 -0.167) 0.983 13.323 ( -2.225 0.000 0.628) 2.312 13.367 ( -3.607 0.000 -2.900) 4.629 13.420 ( -2.210 0.000 -1.889) 2.907 13.426 ( -1.081 0.000 2.066) 2.332 13.687 ( -4.375 0.000 0.030) 4.375 13.702 ( -1.925 0.000 2.623) 3.254 14.682 ( -1.519 0.000 -1.095) 1.873 14.723 ( 0.337 0.000 -2.430) 2.453 15.499 ( -1.133 0.000 -0.929) 1.465 15.528 ( -0.696 0.000 -2.562) 2.655 15.986 ( -0.932 0.000 -1.343) 1.635 16.056 ( 2.870 0.000 -1.267) 3.137 20.687 ( -1.908 0.000 -0.295) 1.930 20.707 ( -0.205 0.000 0.201) 0.287 20.750 ( -1.696 0.000 -0.546) 1.781 20.787 ( 0.942 0.000 0.162) 0.956 21.734 ( -2.711 0.000 -1.935) 3.331 21.742 ( -1.634 0.000 -0.974) 1.902 21.974 ( -1.134 0.000 5.029) 5.155 22.001 ( -0.845 0.000 3.944) 4.033 22.051 ( -4.601 0.000 -7.804) 9.060 22.062 ( -3.510 0.000 -6.338) 7.245 22.232 ( -2.847 0.000 1.695) 3.314 22.235 ( -2.988 0.000 1.821) 3.500 22.252 ( -0.696 0.000 1.930) 2.052 22.295 ( -1.993 0.000 -1.222) 2.338 22.361 ( 2.438 0.000 -0.706) 2.538 22.409 ( 2.045 0.000 -3.258) 3.847 22.973 ( -0.565 0.000 1.508) 1.611 22.977 ( -0.381 0.000 1.363) 1.415 23.290 ( 0.934 0.000 4.202) 4.305 23.318 ( 3.053 0.000 3.783) 4.861 24.055 ( 2.109 0.000 -0.020) 2.109 24.105 ( 4.165 0.000 -4.068) 5.822 24.687 ( 1.085 0.000 -1.966) 2.246 24.771 ( 5.537 0.000 -3.068) 6.330 25.499 ( 0.980 0.000 -4.138) 4.252 25.515 ( 2.382 0.000 -2.843) 3.709 ======================= Grid point 135 (80/104) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -0.867 0.000 3.081) 3.201 1.673 ( -18.653 0.000 4.862) 19.277 2.012 ( -12.163 0.000 -2.624) 12.443 2.145 ( 1.033 0.000 1.973) 2.227 2.152 ( -4.667 0.000 -2.614) 5.349 2.316 ( -7.807 0.000 3.152) 8.419 2.388 ( -8.589 0.000 -9.608) 12.887 2.410 ( -8.564 0.000 -6.374) 10.676 2.454 ( -6.700 0.000 -2.199) 7.051 2.528 ( -0.414 0.000 5.350) 5.366 2.664 ( 4.578 0.000 12.880) 13.670 2.765 ( 0.630 0.000 9.302) 9.324 2.774 ( -11.869 0.000 9.891) 15.450 2.887 ( -9.406 0.000 4.068) 10.248 2.917 ( -8.953 0.000 1.825) 9.137 2.984 ( -10.909 0.000 2.322) 11.154 3.005 ( -4.738 0.000 7.062) 8.505 3.072 ( -14.164 0.000 0.686) 14.180 3.145 ( -15.601 0.000 6.847) 17.037 3.243 ( -11.690 0.000 10.186) 15.505 3.258 ( -11.861 0.000 -0.287) 11.865 3.333 ( -13.193 0.000 -4.487) 13.935 3.502 ( -8.596 0.000 0.138) 8.597 3.505 ( -7.364 0.000 -5.977) 9.485 3.530 ( 0.270 0.000 -3.518) 3.528 3.560 ( -5.267 0.000 5.355) 7.511 3.641 ( -9.389 0.000 0.348) 9.395 3.645 ( -11.561 0.000 6.480) 13.253 3.772 ( -5.842 0.000 3.617) 6.871 3.824 ( -7.241 0.000 7.237) 10.237 3.953 ( -0.983 0.000 6.758) 6.829 3.956 ( -8.104 0.000 3.008) 8.644 3.991 ( -2.235 0.000 -1.951) 2.967 4.064 ( -5.036 0.000 -1.876) 5.374 4.076 ( -2.966 0.000 0.690) 3.045 4.177 ( 1.795 0.000 -2.384) 2.984 4.234 ( 2.381 0.000 1.478) 2.802 4.269 ( 1.522 0.000 4.624) 4.868 4.350 ( -4.720 0.000 6.861) 8.327 4.356 ( -10.188 0.000 -2.376) 10.461 4.441 ( -0.099 0.000 4.208) 4.209 4.547 ( -3.778 0.000 -0.293) 3.790 4.633 ( -5.964 0.000 2.979) 6.667 4.710 ( 2.835 0.000 1.904) 3.415 4.791 ( -8.466 0.000 -2.832) 8.927 4.860 ( -6.775 0.000 -3.034) 7.423 4.911 ( 7.388 0.000 4.449) 8.624 4.929 ( -5.124 0.000 0.624) 5.162 4.989 ( -0.705 0.000 -0.161) 0.723 5.016 ( -10.989 0.000 -2.760) 11.330 5.067 ( -5.809 0.000 0.639) 5.844 5.086 ( 8.375 0.000 -3.241) 8.980 5.209 ( 0.619 0.000 4.378) 4.422 5.264 ( -7.781 0.000 1.419) 7.909 5.343 ( 2.667 0.000 1.010) 2.852 5.368 ( 8.156 0.000 -1.699) 8.331 5.419 ( 1.951 0.000 -1.932) 2.746 5.485 ( 3.619 0.000 -2.519) 4.409 5.549 ( 6.669 0.000 1.396) 6.813 5.594 ( -1.301 0.000 -0.206) 1.317 5.607 ( -3.589 0.000 -1.637) 3.945 5.633 ( 2.813 0.000 -3.206) 4.265 5.730 ( -6.484 0.000 -0.206) 6.487 5.812 ( -10.635 0.000 -3.715) 11.265 5.822 ( -19.227 0.000 0.822) 19.245 5.881 ( 0.120 0.000 -8.869) 8.870 5.921 ( 1.010 0.000 -1.827) 2.088 5.939 ( -12.360 0.000 -7.847) 14.641 6.163 ( -4.443 0.000 -7.155) 8.422 6.194 ( -4.929 0.000 0.916) 5.014 6.220 ( 5.223 0.000 -8.313) 9.817 6.226 ( 2.344 0.000 -0.638) 2.429 6.353 ( -8.866 0.000 -1.878) 9.063 6.415 ( -5.417 0.000 -2.942) 6.164 6.437 ( 0.333 0.000 -1.687) 1.719 6.540 ( -7.365 0.000 -2.869) 7.905 6.565 ( -3.109 0.000 -7.384) 8.012 6.687 ( -1.646 0.000 -3.518) 3.883 6.719 ( 4.503 0.000 -1.284) 4.683 6.724 ( 1.282 0.000 -4.438) 4.620 6.749 ( 0.540 0.000 -0.234) 0.588 6.862 ( 0.634 0.000 0.352) 0.725 6.918 ( 3.730 0.000 4.144) 5.575 6.946 ( -4.788 0.000 4.621) 6.654 6.946 ( 2.171 0.000 2.942) 3.656 7.050 ( 2.177 0.000 3.809) 4.387 7.142 ( -0.804 0.000 0.536) 0.967 7.159 ( -0.582 0.000 -4.523) 4.561 7.168 ( 2.711 0.000 0.081) 2.712 7.249 ( -0.823 0.000 -2.116) 2.270 7.333 ( 2.674 0.000 -0.558) 2.732 7.382 ( 3.779 0.000 9.387) 10.119 7.434 ( -0.360 0.000 -1.306) 1.355 7.463 ( 1.683 0.000 2.657) 3.145 7.568 ( -1.247 0.000 8.302) 8.395 7.581 ( 1.380 0.000 -0.640) 1.521 7.636 ( 1.773 0.000 3.473) 3.900 7.675 ( -0.895 0.000 2.593) 2.743 7.740 ( 1.226 0.000 1.379) 1.845 7.756 ( -2.846 0.000 1.927) 3.437 7.897 ( 3.919 0.000 1.070) 4.062 7.928 ( 7.247 0.000 -0.999) 7.315 7.979 ( 3.328 0.000 -5.414) 6.355 8.035 ( 0.873 0.000 -9.650) 9.690 8.122 ( 3.240 0.000 3.957) 5.114 8.204 ( 2.290 0.000 -1.093) 2.537 8.227 ( 4.209 0.000 4.826) 6.403 8.268 ( 1.484 0.000 -2.335) 2.766 8.294 ( 5.467 0.000 -3.062) 6.266 8.417 ( 7.184 0.000 -2.102) 7.485 8.450 ( -0.322 0.000 3.227) 3.243 8.454 ( -0.932 0.000 3.168) 3.303 8.537 ( 0.060 0.000 -6.202) 6.202 8.612 ( 3.009 0.000 -3.407) 4.546 8.671 ( 7.009 0.000 -2.329) 7.386 8.804 ( 6.062 0.000 0.189) 6.065 8.819 ( 1.787 0.000 -0.882) 1.993 8.875 ( 0.401 0.000 -0.646) 0.761 8.956 ( 1.541 0.000 -5.041) 5.271 9.087 ( 1.758 0.000 1.148) 2.100 9.137 ( 5.569 0.000 -0.494) 5.591 9.139 ( 0.504 0.000 -0.079) 0.510 9.268 ( 6.674 0.000 -10.586) 12.514 9.344 ( 5.229 0.000 -10.919) 12.106 9.445 ( 1.395 0.000 -5.524) 5.697 9.582 ( 3.352 0.000 -2.972) 4.480 9.740 ( 2.246 0.000 3.015) 3.760 9.766 ( -0.191 0.000 -0.465) 0.503 9.909 ( 2.187 0.000 -4.176) 4.714 9.925 ( 4.177 0.000 1.226) 4.353 10.039 ( 5.502 0.000 0.830) 5.564 10.197 ( 9.707 0.000 -0.968) 9.755 10.217 ( 6.973 0.000 4.801) 8.466 10.248 ( 4.796 0.000 0.667) 4.842 10.312 ( 11.806 0.000 2.821) 12.139 10.338 ( 12.320 0.000 2.802) 12.634 11.576 ( 8.657 0.000 0.470) 8.670 11.608 ( 12.311 0.000 2.115) 12.491 11.670 ( 7.494 0.000 1.689) 7.682 11.685 ( 4.972 0.000 1.055) 5.082 12.087 ( -4.822 0.000 2.402) 5.387 12.238 ( -1.081 0.000 -3.689) 3.844 12.423 ( -4.966 0.000 2.999) 5.801 12.542 ( -3.740 0.000 -2.495) 4.496 12.611 ( -1.385 0.000 0.037) 1.386 12.631 ( -4.002 0.000 -6.095) 7.291 12.731 ( -7.477 0.000 -1.941) 7.725 12.836 ( -6.117 0.000 -3.459) 7.027 13.207 ( -9.059 0.000 -6.007) 10.869 13.241 ( -7.572 0.000 -2.374) 7.935 13.325 ( -5.698 0.000 -4.964) 7.557 13.360 ( -5.458 0.000 -2.963) 6.210 13.580 ( -5.865 0.000 -2.661) 6.441 13.651 ( -3.973 0.000 -1.990) 4.443 14.610 ( -4.461 0.000 -3.058) 5.408 14.674 ( -1.954 0.000 -4.651) 5.045 15.435 ( -4.082 0.000 -3.007) 5.070 15.461 ( -3.398 0.000 -4.124) 5.344 15.952 ( -0.952 0.000 -2.420) 2.600 16.069 ( 0.821 0.000 -2.842) 2.958 20.643 ( -2.551 0.000 -0.450) 2.590 20.689 ( -1.532 0.000 -0.757) 1.709 20.710 ( -1.968 0.000 -1.132) 2.271 20.785 ( -0.583 0.000 -1.234) 1.365 21.664 ( -3.670 0.000 -0.191) 3.675 21.687 ( -3.787 0.000 -0.144) 3.790 21.903 ( -5.157 0.000 -5.077) 7.237 21.940 ( -4.615 0.000 -4.335) 6.331 21.957 ( -5.457 0.000 2.437) 5.977 21.975 ( -5.350 0.000 1.870) 5.667 22.233 ( -1.097 0.000 5.290) 5.403 22.248 ( 0.495 0.000 5.490) 5.512 22.263 ( -1.284 0.000 3.941) 4.145 22.296 ( 0.412 0.000 4.199) 4.219 22.401 ( 2.230 0.000 0.991) 2.441 22.438 ( 3.076 0.000 -0.117) 3.078 22.992 ( 0.294 0.000 2.737) 2.753 23.001 ( 0.746 0.000 2.726) 2.826 23.389 ( 5.323 0.000 4.727) 7.119 23.459 ( 9.425 0.000 2.705) 9.806 24.083 ( 1.875 0.000 -1.346) 2.308 24.138 ( 5.875 0.000 -7.016) 9.151 24.688 ( 2.060 0.000 -3.565) 4.118 24.821 ( 5.012 0.000 -5.433) 7.392 25.447 ( -1.330 0.000 -5.960) 6.107 25.497 ( -0.269 0.000 -4.733) 4.740 ======================= Grid point 136 (81/104) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -15.999 0.000 1.649) 16.083 1.636 ( -17.735 0.000 -12.627) 21.771 1.736 ( -4.519 0.000 8.970) 10.044 1.811 ( -20.461 0.000 -5.020) 21.068 1.984 ( -19.800 0.000 -6.007) 20.691 1.989 ( -17.019 0.000 -10.491) 19.992 2.109 ( -14.276 0.000 -11.391) 18.263 2.324 ( -2.384 0.000 -3.932) 4.598 2.417 ( -2.660 0.000 1.735) 3.176 2.480 ( -13.119 0.000 -1.787) 13.240 2.558 ( -18.797 0.000 2.679) 18.987 2.658 ( -12.941 0.000 6.721) 14.582 2.672 ( -12.288 0.000 4.251) 13.003 2.819 ( -4.819 0.000 3.384) 5.889 2.853 ( -9.994 0.000 8.333) 13.012 2.895 ( 2.605 0.000 20.577) 20.741 3.024 ( 2.154 0.000 5.894) 6.275 3.078 ( 1.812 0.000 8.565) 8.755 3.140 ( 5.003 0.000 10.039) 11.216 3.153 ( -8.687 0.000 4.349) 9.715 3.209 ( -6.935 0.000 10.276) 12.397 3.226 ( -0.176 0.000 12.849) 12.850 3.379 ( -3.974 0.000 2.770) 4.845 3.381 ( -3.623 0.000 -0.807) 3.711 3.495 ( -6.354 0.000 -1.412) 6.509 3.516 ( -7.120 0.000 12.021) 13.971 3.551 ( -2.002 0.000 2.623) 3.300 3.555 ( -5.136 0.000 4.960) 7.140 3.724 ( -11.254 0.000 5.468) 12.512 3.787 ( -5.122 0.000 -2.129) 5.547 3.805 ( -0.161 0.000 3.554) 3.557 3.892 ( -2.025 0.000 0.694) 2.141 3.986 ( -1.608 0.000 0.304) 1.636 4.003 ( -5.133 0.000 -3.024) 5.958 4.097 ( -3.792 0.000 6.435) 7.469 4.153 ( 1.582 0.000 -0.669) 1.718 4.256 ( -2.769 0.000 1.452) 3.127 4.267 ( -7.941 0.000 1.855) 8.155 4.294 ( 2.846 0.000 2.696) 3.920 4.328 ( -5.825 0.000 1.748) 6.082 4.516 ( 1.848 0.000 -1.625) 2.461 4.549 ( 0.725 0.000 8.572) 8.602 4.561 ( -6.499 0.000 3.960) 7.611 4.605 ( -9.005 0.000 0.618) 9.026 4.698 ( -12.456 0.000 0.933) 12.491 4.734 ( 0.542 0.000 -0.871) 1.026 4.834 ( -0.721 0.000 0.710) 1.012 4.839 ( -5.707 0.000 1.761) 5.973 4.899 ( -7.224 0.000 -3.865) 8.193 4.943 ( -4.314 0.000 -0.503) 4.343 5.090 ( 3.735 0.000 5.471) 6.624 5.098 ( -11.358 0.000 5.194) 12.490 5.153 ( -1.979 0.000 -5.819) 6.147 5.258 ( -0.459 0.000 6.591) 6.607 5.348 ( -2.634 0.000 -2.206) 3.436 5.365 ( -4.912 0.000 2.964) 5.737 5.397 ( -9.110 0.000 -10.503) 13.903 5.415 ( -1.460 0.000 -2.500) 2.895 5.498 ( 5.618 0.000 0.591) 5.649 5.562 ( -4.770 0.000 1.905) 5.136 5.573 ( -9.160 0.000 3.587) 9.837 5.636 ( -5.481 0.000 2.232) 5.918 5.665 ( 0.121 0.000 -3.776) 3.778 5.692 ( 1.592 0.000 0.274) 1.615 5.707 ( 1.240 0.000 1.883) 2.254 5.761 ( -2.131 0.000 -3.186) 3.833 5.821 ( 6.048 0.000 -7.683) 9.778 5.968 ( 0.880 0.000 -10.468) 10.504 6.052 ( 4.963 0.000 -2.918) 5.757 6.072 ( -8.505 0.000 0.205) 8.507 6.167 ( -5.645 0.000 -5.783) 8.081 6.174 ( -3.835 0.000 -11.635) 12.250 6.281 ( 6.262 0.000 -4.719) 7.841 6.361 ( 1.607 0.000 -1.396) 2.129 6.426 ( -1.806 0.000 -6.123) 6.384 6.429 ( 5.210 0.000 -8.166) 9.686 6.509 ( 4.410 0.000 -4.923) 6.610 6.645 ( -0.649 0.000 -0.485) 0.810 6.658 ( -2.144 0.000 -0.520) 2.206 6.771 ( 2.334 0.000 -1.618) 2.840 6.775 ( 4.356 0.000 -4.692) 6.403 6.887 ( -0.766 0.000 2.281) 2.406 6.923 ( -2.759 0.000 4.972) 5.687 7.006 ( 3.410 0.000 1.755) 3.835 7.047 ( 1.329 0.000 1.167) 1.768 7.067 ( -2.737 0.000 -4.665) 5.409 7.094 ( -0.912 0.000 -3.061) 3.194 7.137 ( -0.860 0.000 0.449) 0.970 7.157 ( 3.935 0.000 1.507) 4.213 7.217 ( 0.351 0.000 -6.102) 6.112 7.288 ( -2.687 0.000 -7.189) 7.674 7.391 ( -3.704 0.000 -2.257) 4.338 7.476 ( -0.487 0.000 -3.983) 4.012 7.509 ( -1.757 0.000 6.842) 7.064 7.593 ( -2.635 0.000 2.238) 3.457 7.594 ( 0.277 0.000 3.198) 3.210 7.624 ( -3.590 0.000 4.896) 6.071 7.663 ( -2.550 0.000 2.081) 3.291 7.742 ( -2.575 0.000 2.691) 3.724 7.757 ( -3.060 0.000 0.242) 3.070 7.915 ( -0.500 0.000 -3.844) 3.876 7.956 ( 1.182 0.000 2.066) 2.380 8.026 ( 6.526 0.000 0.639) 6.557 8.043 ( 6.010 0.000 0.346) 6.020 8.151 ( -0.873 0.000 -2.373) 2.528 8.243 ( -1.057 0.000 -2.707) 2.906 8.262 ( 0.271 0.000 -1.578) 1.601 8.273 ( 0.596 0.000 5.322) 5.356 8.434 ( 9.121 0.000 2.515) 9.462 8.434 ( -0.463 0.000 5.554) 5.573 8.467 ( 2.275 0.000 -7.223) 7.572 8.525 ( 2.042 0.000 2.980) 3.612 8.582 ( 6.118 0.000 -3.527) 7.062 8.630 ( 3.412 0.000 -5.564) 6.527 8.710 ( 3.267 0.000 -3.875) 5.068 8.866 ( 5.676 0.000 -5.276) 7.749 8.877 ( -0.793 0.000 -0.998) 1.275 8.886 ( 2.778 0.000 -4.715) 5.473 8.973 ( 4.876 0.000 -1.162) 5.013 9.068 ( 0.077 0.000 -2.303) 2.305 9.198 ( 1.870 0.000 -7.922) 8.139 9.225 ( 3.833 0.000 6.616) 7.647 9.283 ( 1.885 0.000 -13.495) 13.626 9.303 ( 8.525 0.000 -3.532) 9.228 9.393 ( 0.823 0.000 -6.698) 6.748 9.543 ( -2.078 0.000 -5.900) 6.255 9.808 ( 2.469 0.000 1.583) 2.933 9.829 ( 6.190 0.000 -0.050) 6.190 9.927 ( 3.932 0.000 0.469) 3.959 9.996 ( 2.190 0.000 1.469) 2.637 10.154 ( 6.373 0.000 0.096) 6.374 10.327 ( 7.869 0.000 -1.019) 7.935 10.360 ( 6.929 0.000 2.618) 7.407 10.391 ( 6.097 0.000 5.627) 8.297 10.562 ( 11.077 0.000 1.483) 11.176 10.578 ( 15.231 0.000 1.207) 15.279 11.678 ( 2.130 0.000 0.148) 2.135 11.724 ( -1.414 0.000 0.195) 1.427 11.839 ( 10.757 0.000 0.096) 10.758 11.858 ( 14.218 0.000 1.389) 14.285 12.068 ( 0.769 0.000 3.086) 3.180 12.212 ( 2.052 0.000 -2.704) 3.394 12.329 ( -8.971 0.000 0.515) 8.986 12.461 ( -2.576 0.000 -2.354) 3.490 12.516 ( -2.478 0.000 -5.420) 5.960 12.544 ( -3.917 0.000 -3.646) 5.351 12.580 ( -6.392 0.000 -2.384) 6.822 12.697 ( -6.119 0.000 -2.554) 6.631 12.979 ( -10.231 0.000 -6.481) 12.111 13.018 ( -13.611 0.000 -5.347) 14.624 13.159 ( -7.074 0.000 -4.870) 8.588 13.213 ( -6.544 0.000 -5.489) 8.541 13.455 ( -4.915 0.000 -4.338) 6.555 13.547 ( -4.267 0.000 -4.946) 6.532 14.489 ( -5.638 0.000 -3.482) 6.626 14.579 ( -2.902 0.000 -5.879) 6.556 15.314 ( -5.884 0.000 -3.958) 7.092 15.346 ( -4.624 0.000 -4.849) 6.700 15.912 ( -0.660 0.000 -2.841) 2.917 16.031 ( -1.400 0.000 -3.742) 3.995 20.599 ( -2.296 0.000 -0.177) 2.302 20.647 ( -2.075 0.000 -1.253) 2.424 20.668 ( -1.641 0.000 -1.058) 1.953 20.749 ( -1.651 0.000 -2.046) 2.629 21.616 ( -2.762 0.000 1.205) 3.014 21.627 ( -3.912 0.000 1.491) 4.186 21.792 ( -3.912 0.000 -1.953) 4.373 21.831 ( -4.729 0.000 -1.601) 4.992 21.861 ( -6.864 0.000 0.803) 6.911 21.887 ( -5.945 0.000 0.839) 6.004 22.275 ( -0.649 0.000 5.808) 5.844 22.288 ( -1.007 0.000 5.143) 5.241 22.331 ( 1.326 0.000 7.264) 7.384 22.375 ( 1.603 0.000 7.479) 7.649 22.457 ( 3.099 0.000 1.551) 3.466 22.505 ( 3.935 0.000 1.582) 4.241 23.034 ( 0.995 0.000 3.628) 3.762 23.051 ( 1.539 0.000 3.486) 3.811 23.537 ( 7.216 0.000 2.700) 7.704 23.654 ( 12.361 0.000 -2.455) 12.602 24.088 ( 0.947 0.000 -2.562) 2.732 24.158 ( 5.632 0.000 -9.762) 11.270 24.687 ( 2.512 0.000 -4.756) 5.379 24.830 ( 3.135 0.000 -7.059) 7.724 25.351 ( -3.191 0.000 -5.058) 5.981 25.424 ( -2.538 0.000 -4.812) 5.440 ======================= Grid point 137 (82/104) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -23.036 0.000 -7.064) 24.095 1.150 ( -14.066 0.000 -17.633) 22.556 1.437 ( -15.025 0.000 -6.791) 16.488 1.513 ( -22.279 0.000 -8.119) 23.712 1.686 ( -13.247 0.000 -4.048) 13.851 1.715 ( -16.425 0.000 -10.029) 19.245 1.892 ( 0.354 0.000 12.168) 12.173 2.101 ( -13.853 0.000 0.840) 13.879 2.191 ( -12.451 0.000 0.799) 12.477 2.312 ( -3.083 0.000 -5.074) 5.937 2.402 ( -0.424 0.000 0.738) 0.851 2.560 ( -6.651 0.000 1.231) 6.764 2.806 ( -1.648 0.000 6.527) 6.732 2.808 ( 3.250 0.000 16.265) 16.586 2.826 ( -0.483 0.000 6.225) 6.244 2.969 ( -3.052 0.000 -4.892) 5.766 2.990 ( -10.987 0.000 3.588) 11.558 3.119 ( 3.985 0.000 -0.426) 4.007 3.226 ( 1.618 0.000 14.107) 14.200 3.304 ( 1.439 0.000 17.249) 17.309 3.324 ( -0.262 0.000 -4.311) 4.319 3.325 ( 7.259 0.000 0.312) 7.265 3.385 ( -1.709 0.000 7.452) 7.646 3.388 ( 0.760 0.000 11.111) 11.137 3.465 ( 2.049 0.000 6.679) 6.986 3.533 ( -7.837 0.000 8.606) 11.640 3.555 ( 0.598 0.000 1.970) 2.059 3.571 ( 0.150 0.000 5.469) 5.471 3.636 ( 1.912 0.000 0.935) 2.128 3.653 ( -2.932 0.000 8.044) 8.561 3.831 ( -6.479 0.000 -2.397) 6.908 3.854 ( -2.508 0.000 -0.737) 2.614 3.944 ( -1.144 0.000 3.678) 3.852 4.005 ( -0.686 0.000 4.176) 4.232 4.023 ( -8.128 0.000 3.703) 8.932 4.082 ( -8.883 0.000 -2.299) 9.176 4.154 ( -3.904 0.000 -2.696) 4.745 4.231 ( -5.180 0.000 3.258) 6.119 4.248 ( 0.242 0.000 1.545) 1.564 4.331 ( -1.707 0.000 0.858) 1.910 4.479 ( -2.848 0.000 1.991) 3.475 4.514 ( -3.462 0.000 0.308) 3.475 4.563 ( 1.502 0.000 3.199) 3.534 4.593 ( -8.271 0.000 4.916) 9.621 4.598 ( 4.984 0.000 2.526) 5.587 4.702 ( -7.617 0.000 -1.500) 7.764 4.761 ( -8.029 0.000 -0.399) 8.039 4.778 ( -1.129 0.000 3.644) 3.815 4.867 ( 1.836 0.000 3.212) 3.700 4.882 ( -3.256 0.000 -0.758) 3.343 5.063 ( -3.094 0.000 2.078) 3.727 5.086 ( 0.510 0.000 -2.335) 2.390 5.102 ( -0.825 0.000 15.830) 15.851 5.259 ( -4.490 0.000 0.839) 4.568 5.282 ( 0.709 0.000 -0.771) 1.048 5.329 ( -7.781 0.000 -0.789) 7.821 5.353 ( -0.530 0.000 0.033) 0.531 5.412 ( -7.318 0.000 -0.575) 7.340 5.426 ( 3.958 0.000 13.039) 13.626 5.505 ( 0.376 0.000 0.961) 1.032 5.557 ( -3.103 0.000 -4.589) 5.540 5.580 ( 0.321 0.000 1.455) 1.490 5.639 ( -1.955 0.000 0.826) 2.122 5.656 ( -1.609 0.000 -1.907) 2.495 5.739 ( 0.949 0.000 -3.136) 3.277 5.789 ( 3.224 0.000 2.959) 4.376 5.862 ( 3.180 0.000 -7.669) 8.302 5.893 ( -4.152 0.000 -6.653) 7.842 5.908 ( 5.679 0.000 -7.472) 9.385 6.064 ( -1.199 0.000 -3.896) 4.076 6.116 ( 5.106 0.000 -3.678) 6.293 6.138 ( 4.035 0.000 2.087) 4.542 6.306 ( -2.839 0.000 -6.187) 6.808 6.332 ( 4.170 0.000 -9.367) 10.253 6.379 ( -1.575 0.000 3.711) 4.031 6.449 ( 6.847 0.000 -10.753) 12.747 6.486 ( -0.172 0.000 -7.618) 7.620 6.651 ( 0.207 0.000 0.318) 0.380 6.679 ( 3.008 0.000 -0.155) 3.012 6.765 ( 0.493 0.000 -7.975) 7.990 6.806 ( 1.214 0.000 0.331) 1.258 6.867 ( -2.529 0.000 3.707) 4.487 6.933 ( -1.428 0.000 -3.049) 3.366 6.984 ( -5.230 0.000 -2.166) 5.660 6.993 ( -4.644 0.000 -4.731) 6.629 7.029 ( -0.739 0.000 1.017) 1.257 7.032 ( -7.063 0.000 -8.056) 10.714 7.092 ( -2.925 0.000 -4.844) 5.659 7.110 ( 3.352 0.000 -2.796) 4.365 7.163 ( -2.282 0.000 0.422) 2.321 7.219 ( 1.608 0.000 -2.675) 3.121 7.357 ( -1.857 0.000 4.782) 5.130 7.446 ( 1.309 0.000 -0.955) 1.620 7.517 ( 2.573 0.000 2.383) 3.508 7.539 ( -4.968 0.000 5.446) 7.371 7.610 ( -0.987 0.000 -0.456) 1.087 7.654 ( -1.779 0.000 6.792) 7.022 7.692 ( 3.182 0.000 5.222) 6.115 7.756 ( 0.923 0.000 4.578) 4.670 7.771 ( 0.022 0.000 5.366) 5.366 7.893 ( 0.557 0.000 -0.774) 0.954 7.956 ( -3.691 0.000 -0.516) 3.726 8.046 ( -2.090 0.000 -5.970) 6.326 8.147 ( 4.619 0.000 1.237) 4.782 8.149 ( -2.749 0.000 -1.242) 3.016 8.221 ( 1.066 0.000 -3.635) 3.788 8.262 ( 0.501 0.000 1.058) 1.170 8.274 ( -0.528 0.000 2.763) 2.813 8.412 ( -2.109 0.000 -7.318) 7.616 8.433 ( -2.810 0.000 0.432) 2.843 8.555 ( 2.390 0.000 0.027) 2.391 8.581 ( 1.390 0.000 -8.702) 8.812 8.596 ( 4.094 0.000 -0.980) 4.210 8.616 ( 2.149 0.000 -5.241) 5.664 8.714 ( 2.223 0.000 -5.965) 6.366 8.756 ( -2.680 0.000 -15.257) 15.490 8.806 ( -0.768 0.000 -7.382) 7.422 8.885 ( -1.702 0.000 -2.676) 3.172 9.053 ( 5.652 0.000 -6.955) 8.962 9.097 ( 2.535 0.000 -6.126) 6.629 9.148 ( 1.113 0.000 -1.776) 2.096 9.155 ( -0.196 0.000 -4.196) 4.200 9.334 ( 2.852 0.000 0.243) 2.862 9.388 ( 2.485 0.000 0.443) 2.524 9.421 ( 4.062 0.000 4.445) 6.021 9.476 ( 0.939 0.000 -3.041) 3.183 9.842 ( 0.615 0.000 0.104) 0.623 9.892 ( 4.228 0.000 -3.335) 5.385 10.022 ( -0.609 0.000 1.193) 1.340 10.081 ( 8.661 0.000 4.486) 9.754 10.222 ( 3.011 0.000 -2.560) 3.952 10.417 ( 3.628 0.000 -2.143) 4.214 10.523 ( 7.731 0.000 3.979) 8.695 10.524 ( 3.237 0.000 6.113) 6.918 10.719 ( 6.417 0.000 -0.003) 6.417 10.780 ( 7.698 0.000 -1.595) 7.861 11.682 ( -2.377 0.000 0.480) 2.425 11.687 ( -0.284 0.000 0.190) 0.342 11.969 ( 5.416 0.000 0.048) 5.417 12.064 ( 8.862 0.000 -1.319) 8.960 12.156 ( -5.108 0.000 1.858) 5.436 12.202 ( -4.650 0.000 0.276) 4.658 12.210 ( 5.134 0.000 1.376) 5.316 12.402 ( 2.716 0.000 -4.536) 5.287 12.407 ( -3.451 0.000 -3.877) 5.190 12.507 ( -2.105 0.000 -2.047) 2.936 12.521 ( 4.045 0.000 -2.255) 4.631 12.564 ( -7.129 0.000 -1.726) 7.335 12.727 ( -13.017 0.000 -5.741) 14.227 12.776 ( -7.085 0.000 -3.604) 7.949 13.027 ( -3.285 0.000 -3.746) 4.982 13.067 ( -4.201 0.000 -5.104) 6.611 13.337 ( -3.900 0.000 -4.306) 5.810 13.417 ( -5.104 0.000 -5.185) 7.276 14.378 ( -3.899 0.000 -2.095) 4.427 14.476 ( -2.407 0.000 -5.714) 6.200 15.184 ( -4.703 0.000 -3.310) 5.751 15.230 ( -3.352 0.000 -4.633) 5.718 15.881 ( 0.075 0.000 -2.474) 2.475 15.963 ( -2.068 0.000 -3.620) 4.169 20.564 ( -1.711 0.000 0.130) 1.716 20.602 ( -1.649 0.000 -1.222) 2.052 20.636 ( -1.169 0.000 -0.545) 1.290 20.699 ( -1.694 0.000 -2.027) 2.641 21.587 ( -2.893 0.000 2.155) 3.607 21.591 ( -1.464 0.000 1.075) 1.816 21.733 ( -1.921 0.000 -0.341) 1.951 21.762 ( -2.651 0.000 0.776) 2.762 21.764 ( -5.180 0.000 0.763) 5.236 21.808 ( -4.100 0.000 0.732) 4.165 22.316 ( -0.373 0.000 4.487) 4.502 22.322 ( -0.391 0.000 4.340) 4.357 22.417 ( 0.762 0.000 6.652) 6.696 22.473 ( 1.071 0.000 7.649) 7.724 22.533 ( 4.301 0.000 0.990) 4.414 22.592 ( 4.307 0.000 1.665) 4.618 23.090 ( 1.339 0.000 3.745) 3.977 23.113 ( 1.785 0.000 3.225) 3.686 23.657 ( 5.238 0.000 -0.368) 5.251 23.787 ( 8.650 0.000 -7.911) 11.722 24.066 ( -0.310 0.000 -3.095) 3.111 24.138 ( 3.541 0.000 -10.108) 10.711 24.679 ( 1.976 0.000 -4.791) 5.182 24.795 ( 1.008 0.000 -7.273) 7.342 25.268 ( -2.088 0.000 -2.149) 2.996 25.338 ( -2.446 0.000 -3.442) 4.222 ======================= Grid point 138 (83/104) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 7.083 -9.568 -6.032) 13.346 0.955 ( 7.083 9.568 -6.032) 13.346 1.105 ( -2.970 -2.518 -15.074) 15.569 1.105 ( -2.970 2.518 -15.074) 15.569 1.483 ( -0.945 -0.767 -5.536) 5.668 1.483 ( -0.945 0.767 -5.536) 5.668 2.104 ( 3.846 -4.696 5.724) 8.343 2.104 ( 3.846 4.696 5.724) 8.343 2.182 ( 0.179 -13.068 2.409) 13.290 2.182 ( 0.179 13.068 2.409) 13.290 2.422 ( -2.870 -5.126 -5.466) 8.024 2.422 ( -2.870 5.126 -5.466) 8.024 2.781 ( -3.277 -8.145 10.130) 13.405 2.781 ( -3.277 8.145 10.130) 13.405 2.876 ( 3.566 -5.182 -1.362) 6.436 2.876 ( 3.566 5.182 -1.362) 6.436 3.185 ( 1.320 -9.385 0.312) 9.482 3.185 ( 1.320 9.385 0.312) 9.482 3.268 ( -4.382 -3.194 2.610) 6.018 3.268 ( -4.382 3.194 2.610) 6.018 3.400 ( 3.737 -10.214 1.138) 10.935 3.400 ( 3.737 10.214 1.138) 10.935 3.474 ( 0.828 -3.940 4.644) 6.146 3.474 ( 0.828 3.940 4.644) 6.146 3.550 ( 1.931 -4.701 4.414) 6.731 3.550 ( 1.931 4.701 4.414) 6.731 3.612 ( 4.306 -1.103 8.226) 9.350 3.612 ( 4.306 1.103 8.226) 9.350 3.746 ( 1.508 -3.537 5.778) 6.941 3.746 ( 1.508 3.537 5.778) 6.941 3.846 ( 0.122 -3.969 1.005) 4.096 3.846 ( 0.122 3.969 1.005) 4.096 3.898 ( -3.360 -3.208 5.242) 7.005 3.898 ( -3.360 3.208 5.242) 7.005 3.992 ( 1.645 -1.382 1.878) 2.854 3.992 ( 1.645 1.382 1.878) 2.854 4.142 ( 1.886 -4.756 0.483) 5.139 4.142 ( 1.886 4.756 0.483) 5.139 4.354 ( 0.457 -4.266 -5.520) 6.992 4.354 ( 0.457 4.266 -5.520) 6.992 4.428 ( 0.689 -7.756 1.953) 8.027 4.428 ( 0.689 7.756 1.953) 8.027 4.593 ( -4.055 -2.710 -2.836) 5.641 4.593 ( -4.055 2.710 -2.836) 5.641 4.619 ( 1.344 -2.170 -1.116) 2.786 4.619 ( 1.344 2.170 -1.116) 2.786 4.773 ( -1.133 -4.026 0.861) 4.270 4.773 ( -1.133 4.026 0.861) 4.270 4.862 ( 3.639 -8.741 7.766) 12.246 4.862 ( 3.639 8.741 7.766) 12.246 5.075 ( -6.013 -5.143 -1.025) 7.979 5.075 ( -6.013 5.143 -1.025) 7.979 5.200 ( -0.087 -3.695 7.089) 7.995 5.200 ( -0.087 3.695 7.089) 7.995 5.299 ( -0.337 -0.639 3.074) 3.158 5.299 ( -0.337 0.639 3.074) 3.158 5.340 ( 0.402 -2.457 0.677) 2.580 5.340 ( 0.402 2.457 0.677) 2.580 5.456 ( -0.851 -5.513 0.865) 5.645 5.456 ( -0.851 5.513 0.865) 5.645 5.578 ( -1.273 -0.859 0.632) 1.661 5.578 ( -1.273 0.859 0.632) 1.661 5.676 ( -1.447 -3.696 -6.948) 8.002 5.676 ( -1.447 3.696 -6.948) 8.002 5.778 ( 2.339 -3.445 1.644) 4.477 5.778 ( 2.339 3.445 1.644) 4.477 5.911 ( 4.264 -5.284 7.453) 10.082 5.911 ( 4.264 5.284 7.453) 10.082 5.990 ( 2.354 -3.861 -2.864) 5.353 5.990 ( 2.354 3.861 -2.864) 5.353 6.179 ( -0.297 -2.079 -4.637) 5.091 6.179 ( -0.297 2.079 -4.637) 5.091 6.265 ( 1.353 -4.583 0.691) 4.828 6.265 ( 1.353 4.583 0.691) 4.828 6.375 ( 0.535 -5.682 -3.881) 6.902 6.375 ( 0.535 5.682 -3.881) 6.902 6.516 ( -5.367 -6.746 -1.825) 8.812 6.516 ( -5.367 6.746 -1.825) 8.812 6.683 ( -6.540 -5.711 -3.510) 9.365 6.683 ( -6.540 5.711 -3.510) 9.365 6.760 ( -3.423 -4.460 -5.133) 7.613 6.760 ( -3.423 4.460 -5.133) 7.613 6.820 ( -2.016 -3.170 4.205) 5.639 6.820 ( -2.016 3.170 4.205) 5.639 6.932 ( -1.255 -1.039 0.394) 1.676 6.932 ( -1.255 1.039 0.394) 1.676 7.044 ( 3.417 -8.007 0.205) 8.708 7.044 ( 3.417 8.007 0.205) 8.708 7.179 ( 1.918 -4.355 -1.995) 5.160 7.179 ( 1.918 4.355 -1.995) 5.160 7.319 ( 3.564 -8.048 -2.326) 9.104 7.319 ( 3.564 8.048 -2.326) 9.104 7.468 ( 0.717 -1.638 2.826) 3.344 7.468 ( 0.717 1.638 2.826) 3.344 7.619 ( -1.604 -5.782 -1.744) 6.249 7.619 ( -1.604 5.782 -1.744) 6.249 7.738 ( 0.023 -3.712 1.868) 4.156 7.738 ( 0.023 3.712 1.868) 4.156 7.793 ( -0.204 -1.897 0.823) 2.078 7.793 ( -0.204 1.897 0.823) 2.078 7.908 ( -4.422 -5.833 -2.903) 7.874 7.908 ( -4.422 5.833 -2.903) 7.874 8.043 ( -1.709 -3.864 -1.450) 4.467 8.043 ( -1.709 3.864 -1.450) 4.467 8.207 ( 3.993 -8.347 2.960) 9.715 8.207 ( 3.993 8.347 2.960) 9.715 8.271 ( -2.447 -10.249 1.163) 10.601 8.271 ( -2.447 10.249 1.163) 10.601 8.355 ( -0.792 -7.222 -3.712) 8.158 8.355 ( -0.792 7.222 -3.712) 8.158 8.509 ( -1.708 -9.692 -5.865) 11.456 8.509 ( -1.708 9.692 -5.865) 11.456 8.539 ( -1.336 -4.162 -4.418) 6.215 8.539 ( -1.336 4.162 -4.418) 6.215 8.634 ( 0.303 -2.827 -5.592) 6.273 8.634 ( 0.303 2.827 -5.592) 6.273 8.763 ( -1.349 -4.607 -6.314) 7.932 8.763 ( -1.349 4.607 -6.314) 7.932 9.038 ( 1.713 -1.722 -4.056) 4.727 9.038 ( 1.713 1.722 -4.056) 4.727 9.177 ( 0.607 -4.548 -4.837) 6.667 9.177 ( 0.607 4.548 -4.837) 6.667 9.436 ( 1.967 -4.799 2.393) 5.712 9.436 ( 1.967 4.799 2.393) 5.712 9.485 ( 1.321 -3.802 1.912) 4.456 9.485 ( 1.321 3.802 1.912) 4.456 9.847 ( -0.122 -2.471 -1.442) 2.863 9.847 ( -0.122 2.471 -1.442) 2.863 10.155 ( 1.034 -8.785 3.084) 9.368 10.155 ( 1.034 8.785 3.084) 9.368 10.316 ( -0.578 -7.402 -3.723) 8.305 10.316 ( -0.578 7.402 -3.723) 8.305 10.633 ( 1.569 -2.427 4.996) 5.772 10.633 ( 1.569 2.427 4.996) 5.772 10.771 ( -1.728 -1.463 -2.124) 3.105 10.771 ( -1.728 1.463 -2.124) 3.105 11.682 ( -0.194 -0.372 0.266) 0.497 11.682 ( -0.194 0.372 0.266) 0.497 12.016 ( -2.728 -1.549 1.134) 3.335 12.016 ( -2.728 1.549 1.134) 3.335 12.173 ( -0.539 -3.620 1.999) 4.170 12.173 ( -0.539 3.620 1.999) 4.170 12.330 ( -2.450 -3.583 -1.199) 4.504 12.330 ( -2.450 3.583 -1.199) 4.504 12.368 ( 0.477 -3.338 -3.182) 4.636 12.368 ( 0.477 3.338 -3.182) 4.636 12.536 ( -2.569 -6.248 0.139) 6.757 12.536 ( -2.569 6.248 0.139) 6.757 12.658 ( 5.544 -3.586 -4.697) 8.103 12.658 ( 5.544 3.586 -4.697) 8.103 12.983 ( 0.528 -0.403 -3.137) 3.207 12.983 ( 0.528 0.403 -3.137) 3.207 13.276 ( -2.836 -1.385 -2.611) 4.096 13.276 ( -2.836 1.385 -2.611) 4.096 14.362 ( -0.829 -3.145 -2.223) 3.940 14.362 ( -0.829 3.145 -2.223) 3.940 15.137 ( -0.241 -2.027 -2.782) 3.451 15.137 ( -0.241 2.027 -2.782) 3.451 15.887 ( -0.039 -1.343 -2.243) 2.615 15.887 ( -0.039 1.343 -2.243) 2.615 20.557 ( -0.665 -1.067 0.215) 1.276 20.557 ( -0.665 1.067 0.215) 1.276 20.643 ( -0.777 -1.533 -0.804) 1.898 20.643 ( -0.777 1.533 -0.804) 1.898 21.582 ( -0.366 -0.846 1.383) 1.662 21.582 ( -0.366 0.846 1.383) 1.662 21.715 ( -0.544 -0.460 0.645) 0.961 21.715 ( -0.544 0.460 0.645) 0.961 21.762 ( -0.800 -0.570 1.143) 1.507 21.762 ( -0.800 0.570 1.143) 1.507 22.351 ( 0.124 -0.353 2.896) 2.920 22.351 ( 0.124 0.353 2.896) 2.920 22.505 ( 0.164 -2.695 4.627) 5.357 22.505 ( 0.164 2.695 4.627) 5.357 22.647 ( 3.883 -2.317 -0.185) 4.526 22.647 ( 3.883 2.317 -0.185) 4.526 23.154 ( 1.008 -0.953 2.194) 2.596 23.154 ( 1.008 0.953 2.194) 2.596 23.735 ( 1.424 -3.799 -4.456) 6.026 23.735 ( 1.424 3.799 -4.456) 6.026 24.070 ( 0.539 -2.843 -5.971) 6.636 24.070 ( 0.539 2.843 -5.971) 6.636 24.699 ( 0.288 -2.876 -4.610) 5.441 24.699 ( 0.288 2.876 -4.610) 5.441 25.264 ( 0.024 -1.654 -1.470) 2.213 25.264 ( 0.024 1.654 -1.470) 2.213 ======================= Grid point 140 (84/104) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 14.832 -2.464 -10.780) 18.500 1.001 ( 14.832 2.464 -10.780) 18.500 1.338 ( 29.990 -6.686 -3.305) 30.904 1.338 ( 29.990 6.686 -3.305) 30.904 1.597 ( 17.072 -1.503 -3.231) 17.440 1.597 ( 17.072 1.503 -3.231) 17.440 2.131 ( -3.504 -8.901 0.332) 9.572 2.131 ( -3.504 8.901 0.332) 9.572 2.261 ( 5.115 -2.886 -1.630) 6.095 2.261 ( 5.115 2.886 -1.630) 6.095 2.454 ( 11.585 -2.209 0.241) 11.796 2.454 ( 11.585 2.209 0.241) 11.796 2.778 ( -7.003 -2.010 6.493) 9.759 2.778 ( -7.003 2.010 6.493) 9.759 3.022 ( 15.493 -8.200 -2.507) 17.707 3.022 ( 15.493 8.200 -2.507) 17.707 3.087 ( -6.150 -8.332 -0.096) 10.356 3.087 ( -6.150 8.332 -0.096) 10.356 3.311 ( -6.661 -5.347 -1.338) 8.646 3.311 ( -6.661 5.347 -1.338) 8.646 3.377 ( 5.964 -12.548 5.010) 14.769 3.377 ( 5.964 12.548 5.010) 14.769 3.561 ( -0.935 -3.339 0.701) 3.537 3.561 ( -0.935 3.339 0.701) 3.537 3.590 ( 3.117 -5.384 2.067) 6.556 3.590 ( 3.117 5.384 2.067) 6.556 3.759 ( 0.077 -1.956 1.197) 2.295 3.759 ( 0.077 1.956 1.197) 2.295 3.803 ( 7.013 -4.728 4.170) 9.430 3.803 ( 7.013 4.728 4.170) 9.430 3.853 ( 4.040 -3.031 -1.508) 5.271 3.853 ( 4.040 3.031 -1.508) 5.271 4.015 ( 3.040 -2.676 -0.097) 4.051 4.015 ( 3.040 2.676 -0.097) 4.051 4.064 ( 7.126 -5.569 5.985) 10.844 4.064 ( 7.126 5.569 5.985) 10.844 4.209 ( 3.578 -3.201 -2.472) 5.400 4.209 ( 3.578 3.201 -2.472) 5.400 4.322 ( 5.489 -1.925 -2.242) 6.234 4.322 ( 5.489 1.925 -2.242) 6.234 4.511 ( 1.023 -2.029 -2.351) 3.269 4.511 ( 1.023 2.029 -2.351) 3.269 4.605 ( 6.807 -1.937 0.643) 7.107 4.605 ( 6.807 1.937 0.643) 7.107 4.651 ( 9.839 -4.782 1.942) 11.111 4.651 ( 9.839 4.782 1.942) 11.111 4.793 ( 0.464 -0.826 1.458) 1.739 4.793 ( 0.464 0.826 1.458) 1.739 4.926 ( -0.971 -2.524 -1.334) 3.016 4.926 ( -0.971 2.524 -1.334) 3.016 5.026 ( -1.875 -6.260 4.453) 7.908 5.026 ( -1.875 6.260 4.453) 7.908 5.215 ( -1.018 -4.111 -0.996) 4.351 5.215 ( -1.018 4.111 -0.996) 4.351 5.296 ( -1.746 -3.574 5.470) 6.764 5.296 ( -1.746 3.574 5.470) 6.764 5.382 ( 3.194 -1.235 -2.340) 4.148 5.382 ( 3.194 1.235 -2.340) 4.148 5.469 ( -0.444 -7.031 3.795) 8.002 5.469 ( -0.444 7.031 3.795) 8.002 5.542 ( -1.569 -4.099 -0.042) 4.389 5.542 ( -1.569 4.099 -0.042) 4.389 5.626 ( 0.622 -2.817 -2.543) 3.845 5.626 ( 0.622 2.817 -2.543) 3.845 5.811 ( 0.492 -1.558 -2.172) 2.718 5.811 ( 0.492 1.558 -2.172) 2.718 5.956 ( -2.043 -2.567 2.892) 4.373 5.956 ( -2.043 2.567 2.892) 4.373 6.016 ( -2.323 -2.804 -1.285) 3.861 6.016 ( -2.323 2.804 -1.285) 3.861 6.117 ( -2.698 -3.163 -3.354) 5.341 6.117 ( -2.698 3.163 -3.354) 5.341 6.215 ( -3.713 -3.094 -3.788) 6.141 6.215 ( -3.713 3.094 -3.788) 6.141 6.362 ( -5.129 -9.041 0.746) 10.421 6.362 ( -5.129 9.041 0.746) 10.421 6.478 ( 0.106 -2.574 6.522) 7.012 6.478 ( 0.106 2.574 6.522) 7.012 6.548 ( -6.058 -3.908 3.512) 8.019 6.548 ( -6.058 3.908 3.512) 8.019 6.713 ( 1.170 -11.147 -0.006) 11.208 6.713 ( 1.170 11.147 -0.006) 11.208 6.862 ( 1.766 -3.592 4.486) 6.012 6.862 ( 1.766 3.592 4.486) 6.012 6.945 ( 1.847 -4.205 -0.605) 4.632 6.945 ( 1.847 4.205 -0.605) 4.632 7.116 ( 1.683 -8.159 -1.186) 8.414 7.116 ( 1.683 8.159 -1.186) 8.414 7.183 ( 2.517 -3.576 0.640) 4.419 7.183 ( 2.517 3.576 0.640) 4.419 7.317 ( -0.088 -2.624 -5.469) 6.067 7.317 ( -0.088 2.624 -5.469) 6.067 7.466 ( 1.104 -0.847 -10.355) 10.448 7.466 ( 1.104 0.847 -10.355) 10.448 7.590 ( 1.036 -0.745 1.640) 2.078 7.590 ( 1.036 0.745 1.640) 2.078 7.693 ( -1.367 -2.793 1.565) 3.482 7.693 ( -1.367 2.793 1.565) 3.482 7.805 ( 1.218 -3.282 2.156) 4.111 7.805 ( 1.218 3.282 2.156) 4.111 7.895 ( -0.860 -3.019 7.869) 8.472 7.895 ( -0.860 3.019 7.869) 8.472 8.056 ( -0.295 -4.516 -0.675) 4.576 8.056 ( -0.295 4.516 -0.675) 4.576 8.175 ( -4.986 -4.660 -3.783) 7.803 8.175 ( -4.986 4.660 -3.783) 7.803 8.254 ( -0.197 -4.060 2.715) 4.888 8.254 ( -0.197 4.060 2.715) 4.888 8.375 ( -0.172 -2.425 -2.762) 3.679 8.375 ( -0.172 2.425 -2.762) 3.679 8.427 ( 1.248 -0.662 -1.100) 1.791 8.427 ( 1.248 0.662 -1.100) 1.791 8.512 ( -0.421 -2.623 0.643) 2.734 8.512 ( -0.421 2.623 0.643) 2.734 8.595 ( -0.515 -2.270 -2.667) 3.540 8.595 ( -0.515 2.270 -2.667) 3.540 8.728 ( 2.837 -6.121 -2.482) 7.188 8.728 ( 2.837 6.121 -2.482) 7.188 9.008 ( -1.132 -6.445 -3.538) 7.439 9.008 ( -1.132 6.445 -3.538) 7.439 9.131 ( -1.194 -5.812 -3.021) 6.658 9.131 ( -1.194 5.812 -3.021) 6.658 9.431 ( -3.274 -3.847 -1.214) 5.195 9.431 ( -3.274 3.847 -1.214) 5.195 9.521 ( 0.946 -2.805 0.218) 2.968 9.521 ( 0.946 2.805 0.218) 2.968 9.820 ( -1.858 -3.383 -0.516) 3.894 9.820 ( -1.858 3.383 -0.516) 3.894 10.166 ( -3.000 -11.028 2.774) 11.760 10.166 ( -3.000 11.028 2.774) 11.760 10.232 ( -4.799 -3.036 -3.694) 6.774 10.232 ( -4.799 3.036 -3.694) 6.774 10.628 ( -7.158 -4.755 1.491) 8.722 10.628 ( -7.158 4.755 1.491) 8.722 10.704 ( -3.399 -0.173 0.305) 3.417 10.704 ( -3.399 0.173 0.305) 3.417 11.689 ( 0.603 -2.121 0.412) 2.243 11.689 ( 0.603 2.121 0.412) 2.243 11.932 ( -7.992 -4.922 2.177) 9.635 11.932 ( -7.992 4.922 2.177) 9.635 12.204 ( -6.742 -1.811 3.497) 7.808 12.204 ( -6.742 1.811 3.497) 7.808 12.251 ( 2.276 -3.934 0.936) 4.641 12.251 ( 2.276 3.934 0.936) 4.641 12.395 ( 5.479 -5.484 -3.338) 8.440 12.395 ( 5.479 5.484 -3.338) 8.440 12.498 ( -1.158 -8.761 -0.625) 8.859 12.498 ( -1.158 8.761 -0.625) 8.859 12.779 ( 10.844 -7.285 -2.491) 13.300 12.779 ( 10.844 7.285 -2.491) 13.300 12.985 ( 2.922 -4.117 -2.739) 5.744 12.985 ( 2.922 4.117 -2.739) 5.744 13.249 ( 0.556 -1.596 1.002) 1.965 13.249 ( 0.556 1.596 1.002) 1.965 14.359 ( 1.972 -1.537 -0.446) 2.539 14.359 ( 1.972 1.537 -0.446) 2.539 15.148 ( 3.727 -1.639 -1.180) 4.239 15.148 ( 3.727 1.639 -1.180) 4.239 15.880 ( 1.072 -0.881 -1.114) 1.780 15.880 ( 1.072 0.881 -1.114) 1.780 20.560 ( 0.505 -0.798 0.801) 1.238 20.560 ( 0.505 0.798 0.801) 1.238 20.635 ( 0.166 -0.494 0.275) 0.589 20.635 ( 0.166 0.494 0.275) 0.589 21.603 ( 1.555 -1.491 0.961) 2.359 21.603 ( 1.555 1.491 0.961) 2.359 21.732 ( 1.603 -1.966 0.874) 2.683 21.732 ( 1.603 1.966 0.874) 2.683 21.787 ( 2.348 -0.705 1.233) 2.744 21.787 ( 2.348 0.705 1.233) 2.744 22.379 ( 0.677 -0.703 1.423) 1.726 22.379 ( 0.677 0.703 1.423) 1.726 22.530 ( -1.052 -3.061 2.057) 3.835 22.530 ( -1.052 3.061 2.057) 3.835 22.687 ( 2.869 -2.117 -3.587) 5.057 22.687 ( 2.869 2.117 -3.587) 5.057 23.172 ( -0.239 -0.750 0.092) 0.793 23.172 ( -0.239 0.750 0.092) 0.793 23.685 ( -2.340 -1.900 -3.707) 4.778 23.685 ( -2.340 1.900 -3.707) 4.778 24.028 ( -0.166 -3.228 -3.048) 4.443 24.028 ( -0.166 3.228 -3.048) 4.443 24.665 ( -0.237 -0.371 -2.392) 2.433 24.665 ( -0.237 0.371 -2.392) 2.433 25.269 ( 1.765 -0.284 -0.923) 2.012 25.269 ( 1.765 0.284 -0.923) 2.012 ======================= Grid point 142 (85/104) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 23.284 -5.579 -3.694) 24.227 1.278 ( 23.284 5.579 -3.694) 24.227 1.799 ( 23.196 -2.352 -2.214) 23.420 1.799 ( 23.196 2.352 -2.214) 23.420 1.887 ( 17.339 -3.569 -1.074) 17.735 1.887 ( 17.339 3.569 -1.074) 17.735 2.074 ( -1.374 -5.463 0.383) 5.646 2.074 ( -1.374 5.463 0.382) 5.646 2.406 ( 11.774 -4.558 3.488) 13.099 2.406 ( 11.774 4.558 3.488) 13.099 2.553 ( -2.563 -9.338 -1.829) 9.854 2.553 ( -2.563 9.338 -1.829) 9.854 2.777 ( 5.683 -1.330 2.626) 6.400 2.777 ( 5.683 1.330 2.626) 6.400 3.049 ( 1.192 -3.009 1.994) 3.802 3.049 ( 1.192 3.009 1.994) 3.802 3.193 ( -4.272 -6.686 -1.293) 8.039 3.193 ( -4.272 6.686 -1.293) 8.039 3.277 ( 11.298 -9.788 -0.382) 14.953 3.277 ( 11.298 9.788 -0.382) 14.953 3.480 ( 0.151 -3.243 -2.119) 3.877 3.480 ( 0.151 3.244 -2.119) 3.877 3.607 ( 5.639 -9.714 0.954) 11.272 3.607 ( 5.639 9.714 0.954) 11.272 3.628 ( 7.840 -1.264 -3.519) 8.686 3.628 ( 7.840 1.264 -3.519) 8.686 3.791 ( 3.387 -4.244 -2.502) 5.978 3.791 ( 3.387 4.244 -2.502) 5.978 3.866 ( 6.343 -1.104 -5.526) 8.485 3.866 ( 6.343 1.104 -5.526) 8.485 3.972 ( 6.096 -5.126 -0.598) 7.987 3.972 ( 6.096 5.126 -0.598) 7.987 4.106 ( 7.327 -1.475 3.381) 8.203 4.106 ( 7.327 1.475 3.381) 8.203 4.184 ( 2.954 -1.987 1.525) 3.873 4.184 ( 2.954 1.987 1.525) 3.873 4.234 ( 6.618 -1.880 -6.670) 9.582 4.234 ( 6.618 1.880 -6.670) 9.582 4.427 ( 2.999 -4.230 0.705) 5.233 4.427 ( 2.999 4.230 0.705) 5.233 4.561 ( 3.987 -6.656 1.270) 7.862 4.561 ( 3.987 6.656 1.270) 7.862 4.680 ( 4.804 -0.788 -2.412) 5.433 4.680 ( 4.804 0.788 -2.412) 5.433 4.801 ( 3.676 -6.301 -0.660) 7.325 4.801 ( 3.676 6.301 -0.660) 7.325 4.847 ( 4.628 -0.760 -2.103) 5.140 4.847 ( 4.628 0.760 -2.103) 5.140 4.973 ( 5.972 -5.111 1.393) 7.983 4.973 ( 5.972 5.111 1.393) 7.983 5.027 ( 2.988 -1.188 0.989) 3.364 5.027 ( 2.988 1.188 0.989) 3.364 5.217 ( 2.808 -3.523 2.182) 5.006 5.217 ( 2.808 3.523 2.182) 5.006 5.318 ( -3.374 -0.888 3.486) 4.932 5.318 ( -3.374 0.888 3.486) 4.932 5.397 ( -1.575 -1.482 1.730) 2.770 5.397 ( -1.575 1.482 1.730) 2.770 5.518 ( 0.883 -6.263 3.759) 7.358 5.518 ( 0.883 6.263 3.759) 7.358 5.550 ( -0.181 -3.425 0.567) 3.476 5.550 ( -0.181 3.425 0.567) 3.476 5.628 ( 4.354 -1.074 -0.590) 4.524 5.628 ( 4.354 1.075 -0.590) 4.524 5.807 ( 0.094 -2.273 0.611) 2.356 5.807 ( 0.094 2.273 0.611) 2.356 5.847 ( -4.692 -1.740 -5.163) 7.190 5.847 ( -4.692 1.740 -5.163) 7.190 5.987 ( -6.467 -0.731 -3.951) 7.613 5.987 ( -6.467 0.731 -3.951) 7.613 6.037 ( -0.736 -2.179 6.596) 6.985 6.037 ( -0.736 2.179 6.596) 6.985 6.106 ( -1.829 -1.383 -3.952) 4.569 6.106 ( -1.829 1.383 -3.952) 4.569 6.246 ( -4.468 -9.477 -1.024) 10.527 6.246 ( -4.468 9.477 -1.024) 10.527 6.460 ( -7.511 -6.834 2.156) 10.381 6.460 ( -7.511 6.834 2.156) 10.381 6.574 ( 0.324 -6.557 4.313) 7.855 6.574 ( 0.324 6.557 4.313) 7.855 6.796 ( 3.256 -10.776 5.733) 12.633 6.796 ( 3.256 10.776 5.733) 12.633 6.938 ( 2.266 -3.372 3.036) 5.072 6.938 ( 2.266 3.372 3.036) 5.072 7.009 ( 5.180 -4.278 0.339) 6.727 7.009 ( 5.180 4.278 0.339) 6.727 7.063 ( -0.670 -2.374 -3.613) 4.375 7.063 ( -0.670 2.374 -3.613) 4.375 7.233 ( 0.646 -7.829 -4.267) 8.939 7.233 ( 0.646 7.829 -4.267) 8.939 7.255 ( -0.996 -1.686 -1.637) 2.552 7.255 ( -0.996 1.686 -1.637) 2.552 7.479 ( 5.088 -9.599 2.289) 11.103 7.479 ( 5.088 9.599 2.289) 11.103 7.588 ( 0.311 -2.166 0.881) 2.359 7.588 ( 0.311 2.166 0.881) 2.359 7.751 ( -2.222 -5.418 1.987) 6.184 7.751 ( -2.222 5.418 1.987) 6.184 7.845 ( 2.848 -4.592 2.022) 5.770 7.845 ( 2.848 4.592 2.022) 5.770 7.962 ( -0.258 -4.237 3.713) 5.640 7.962 ( -0.258 4.237 3.713) 5.640 8.006 ( -4.499 -5.184 -4.098) 7.994 8.006 ( -4.499 5.184 -4.098) 7.994 8.097 ( 1.090 -1.766 10.271) 10.479 8.097 ( 1.090 1.766 10.271) 10.479 8.281 ( -5.197 -3.380 -5.207) 8.096 8.281 ( -5.197 3.380 -5.207) 8.096 8.330 ( 1.115 -8.007 1.620) 8.245 8.330 ( 1.115 8.007 1.620) 8.245 8.431 ( 1.076 -6.917 0.605) 7.026 8.431 ( 1.076 6.917 0.605) 7.026 8.535 ( -0.150 -4.602 2.591) 5.284 8.535 ( -0.150 4.602 2.591) 5.284 8.576 ( -0.419 -3.991 0.800) 4.092 8.576 ( -0.419 3.991 0.800) 4.092 8.794 ( 5.539 -6.259 -1.601) 8.510 8.794 ( 5.539 6.259 -1.601) 8.510 8.949 ( -1.455 -6.988 -2.053) 7.427 8.949 ( -1.455 6.988 -2.053) 7.427 9.083 ( -2.519 -5.667 -0.989) 6.279 9.083 ( -2.519 5.667 -0.989) 6.279 9.324 ( -6.358 -4.926 -2.183) 8.334 9.324 ( -6.358 4.926 -2.183) 8.334 9.505 ( -1.357 -1.997 -2.887) 3.764 9.505 ( -1.357 1.997 -2.887) 3.764 9.781 ( -2.498 -3.656 0.605) 4.469 9.781 ( -2.498 3.656 0.605) 4.469 10.086 ( -6.590 -3.014 -3.893) 8.226 10.086 ( -6.590 3.014 -3.893) 8.226 10.124 ( -6.264 -9.254 3.378) 11.674 10.124 ( -6.264 9.254 3.378) 11.674 10.492 ( -8.358 -7.386 0.217) 11.156 10.492 ( -8.358 7.386 0.217) 11.156 10.620 ( -7.152 -0.325 -0.706) 7.194 10.620 ( -7.152 0.325 -0.706) 7.194 11.705 ( 0.132 -3.626 0.568) 3.673 11.705 ( 0.132 3.626 0.568) 3.673 11.802 ( -9.387 -4.962 2.209) 10.845 11.802 ( -9.387 4.962 2.209) 10.845 12.104 ( -6.620 -3.384 3.183) 8.087 12.104 ( -6.620 3.384 3.183) 8.087 12.347 ( 4.233 -2.320 2.552) 5.460 12.347 ( 4.233 2.320 2.552) 5.460 12.469 ( 3.977 -8.447 1.041) 9.394 12.469 ( 3.977 8.447 1.041) 9.394 12.499 ( 4.200 -0.877 -2.256) 4.848 12.499 ( 4.200 0.877 -2.256) 4.848 12.952 ( 9.435 -6.988 1.547) 11.842 12.952 ( 9.435 6.988 1.547) 11.842 13.037 ( 6.988 -7.759 -2.226) 10.677 13.037 ( 6.988 7.759 -2.226) 10.677 13.301 ( 2.278 -2.779 3.997) 5.374 13.301 ( 2.278 2.779 3.997) 5.374 14.417 ( 4.420 -0.355 1.121) 4.573 14.417 ( 4.420 0.355 1.121) 4.573 15.229 ( 5.989 -1.475 0.367) 6.179 15.229 ( 5.989 1.475 0.367) 6.179 15.900 ( 1.712 -2.788 0.079) 3.272 15.900 ( 1.712 2.788 0.079) 3.272 20.587 ( 1.388 -0.272 1.188) 1.847 20.587 ( 1.388 0.272 1.188) 1.847 20.654 ( 1.033 -0.693 1.370) 1.850 20.654 ( 1.033 0.693 1.370) 1.850 21.648 ( 2.733 -1.658 0.421) 3.224 21.648 ( 2.733 1.658 0.421) 3.224 21.778 ( 2.754 -2.486 0.916) 3.822 21.778 ( 2.754 2.486 0.916) 3.822 21.862 ( 4.849 -0.792 1.519) 5.142 21.862 ( 4.849 0.792 1.519) 5.142 22.399 ( 0.765 -1.154 0.080) 1.387 22.399 ( 0.765 1.154 0.080) 1.387 22.511 ( -1.895 -3.061 -0.455) 3.628 22.511 ( -1.895 3.061 -0.455) 3.628 22.671 ( 1.429 -1.714 -7.262) 7.597 22.671 ( 1.429 1.714 -7.262) 7.597 23.148 ( -1.559 -0.477 -1.812) 2.438 23.148 ( -1.559 0.477 -1.812) 2.438 23.593 ( -4.858 -0.658 -2.678) 5.586 23.593 ( -4.858 0.658 -2.678) 5.586 24.008 ( -0.090 -3.708 -0.694) 3.774 24.008 ( -0.090 3.708 -0.694) 3.774 24.648 ( -0.174 -1.817 -0.458) 1.881 24.648 ( -0.174 1.817 -0.458) 1.881 25.304 ( 2.870 -1.889 -0.130) 3.438 25.304 ( 2.870 1.889 -0.130) 3.438 ======================= Grid point 146 (86/104) ======================= q-point: ( 0.30 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 13.881 -6.007 1.318) 15.183 1.608 ( 13.881 6.007 1.318) 15.183 1.977 ( 4.826 -2.779 -0.871) 5.637 1.977 ( 4.826 2.779 -0.871) 5.637 2.076 ( 9.161 -11.626 0.374) 14.806 2.076 ( 9.161 11.626 0.374) 14.806 2.214 ( 9.519 -2.772 3.641) 10.562 2.214 ( 9.519 2.772 3.641) 10.562 2.493 ( -1.148 -14.730 3.770) 15.248 2.493 ( -1.148 14.730 3.770) 15.248 2.608 ( 1.905 -12.856 1.211) 13.053 2.608 ( 1.905 12.856 1.211) 13.053 2.964 ( 12.252 -2.055 4.755) 13.302 2.964 ( 12.252 2.055 4.755) 13.302 3.084 ( 0.905 -2.044 -3.935) 4.526 3.084 ( 0.905 2.044 -3.935) 4.526 3.188 ( 6.804 -0.876 0.782) 6.905 3.188 ( 6.804 0.876 0.782) 6.904 3.358 ( 0.995 -2.440 -1.391) 2.980 3.358 ( 0.995 2.440 -1.391) 2.980 3.502 ( 4.175 -1.645 -0.150) 4.490 3.502 ( 4.175 1.645 -0.150) 4.490 3.571 ( 0.621 -8.776 -7.613) 11.635 3.571 ( 0.621 8.776 -7.613) 11.635 3.793 ( 3.078 -2.425 -2.837) 4.838 3.793 ( 3.078 2.425 -2.837) 4.838 3.827 ( 10.879 -1.732 -6.807) 12.949 3.827 ( 10.879 1.732 -6.807) 12.949 3.964 ( 10.079 -2.215 -3.700) 10.962 3.964 ( 10.079 2.215 -3.700) 10.962 4.057 ( 4.234 -4.982 -3.669) 7.497 4.057 ( 4.234 4.982 -3.669) 7.497 4.161 ( 1.343 -6.869 -1.533) 7.165 4.161 ( 1.343 6.869 -1.533) 7.165 4.263 ( 6.796 -4.040 -3.759) 8.754 4.263 ( 6.796 4.040 -3.759) 8.754 4.345 ( 6.790 -2.907 -2.327) 7.744 4.345 ( 6.790 2.907 -2.327) 7.744 4.488 ( 4.332 -8.972 -1.605) 10.092 4.488 ( 4.332 8.972 -1.605) 10.092 4.552 ( 4.716 -6.571 -4.011) 9.028 4.552 ( 4.716 6.571 -4.011) 9.028 4.783 ( -1.030 -6.090 0.738) 6.220 4.783 ( -1.030 6.090 0.738) 6.220 4.804 ( 3.636 -1.006 -0.577) 3.816 4.804 ( 3.636 1.006 -0.577) 3.816 4.903 ( 4.660 -3.045 -0.955) 5.648 4.903 ( 4.660 3.045 -0.955) 5.648 5.047 ( 0.324 -1.568 -2.473) 2.946 5.047 ( 0.324 1.568 -2.473) 2.946 5.103 ( -0.192 -2.868 -1.499) 3.241 5.103 ( -0.192 2.868 -1.499) 3.241 5.252 ( -0.408 -0.933 2.451) 2.654 5.252 ( -0.408 0.933 2.451) 2.654 5.294 ( -0.850 -2.252 2.622) 3.559 5.294 ( -0.850 2.252 2.622) 3.559 5.407 ( 0.740 -2.484 1.587) 3.039 5.407 ( 0.740 2.484 1.587) 3.039 5.491 ( -1.157 -7.036 0.777) 7.173 5.491 ( -1.157 7.036 0.777) 7.173 5.600 ( -1.790 -2.162 -1.351) 3.115 5.600 ( -1.790 2.162 -1.351) 3.115 5.663 ( 3.003 -0.542 1.945) 3.619 5.663 ( 3.003 0.542 1.945) 3.619 5.738 ( -2.015 -3.145 4.811) 6.091 5.738 ( -2.015 3.145 4.811) 6.091 5.896 ( 1.150 -2.268 -0.313) 2.563 5.896 ( 1.150 2.268 -0.313) 2.563 5.948 ( 8.566 -2.443 2.325) 9.206 5.948 ( 8.566 2.443 2.325) 9.206 6.051 ( -0.970 -9.505 3.556) 10.194 6.051 ( -0.970 9.505 3.556) 10.194 6.172 ( 4.880 -3.368 5.974) 8.417 6.172 ( 4.880 3.368 5.974) 8.417 6.268 ( 5.016 -6.759 3.940) 9.293 6.268 ( 5.016 6.759 3.940) 9.293 6.350 ( -3.551 -5.703 2.812) 7.283 6.350 ( -3.551 5.703 2.812) 7.283 6.616 ( 0.114 -7.823 2.492) 8.211 6.616 ( 0.114 7.823 2.492) 8.211 6.864 ( 0.079 -6.920 2.652) 7.411 6.864 ( 0.079 6.920 2.652) 7.411 6.964 ( -2.206 -0.240 0.998) 2.433 6.964 ( -2.206 0.240 0.998) 2.433 7.031 ( -0.549 -5.020 1.085) 5.166 7.031 ( -0.549 5.020 1.085) 5.166 7.079 ( 2.872 -3.990 -1.783) 5.229 7.079 ( 2.872 3.990 -1.783) 5.229 7.208 ( 1.195 -8.549 -3.353) 9.261 7.208 ( 1.195 8.549 -3.353) 9.261 7.297 ( 1.996 -4.744 5.589) 7.598 7.297 ( 1.996 4.744 5.589) 7.598 7.471 ( -2.018 -4.593 -4.671) 6.855 7.471 ( -2.018 4.593 -4.671) 6.855 7.645 ( 0.694 -3.132 2.031) 3.797 7.645 ( 0.694 3.132 2.031) 3.797 7.723 ( -0.602 -6.085 2.322) 6.541 7.723 ( -0.602 6.085 2.322) 6.541 7.865 ( -5.984 -1.705 -0.008) 6.222 7.865 ( -5.984 1.705 -0.008) 6.222 7.918 ( 1.988 -2.618 -3.456) 4.770 7.918 ( 1.988 2.618 -3.456) 4.770 8.016 ( 0.088 -3.649 3.281) 4.908 8.016 ( 0.088 3.649 3.281) 4.908 8.117 ( -4.189 -1.927 -2.724) 5.356 8.117 ( -4.189 1.927 -2.724) 5.356 8.215 ( -2.264 -2.460 5.766) 6.665 8.215 ( -2.264 2.460 5.766) 6.665 8.362 ( -1.198 -5.025 3.584) 6.287 8.362 ( -1.198 5.025 3.584) 6.287 8.411 ( -2.538 -5.179 0.926) 5.841 8.411 ( -2.538 5.179 0.926) 5.841 8.527 ( -2.569 -5.563 -0.680) 6.165 8.527 ( -2.569 5.563 -0.680) 6.165 8.635 ( 5.197 -5.573 1.622) 7.791 8.635 ( 5.197 5.573 1.622) 7.791 8.858 ( 3.782 -3.562 -0.851) 5.264 8.858 ( 3.782 3.562 -0.851) 5.264 8.930 ( -1.108 -3.762 -0.016) 3.922 8.930 ( -1.108 3.762 -0.016) 3.922 9.018 ( -2.076 -5.154 -1.989) 5.902 9.018 ( -2.076 5.154 -1.989) 5.902 9.224 ( -3.992 -5.334 0.846) 6.715 9.224 ( -3.992 5.334 0.846) 6.715 9.435 ( -2.073 -2.330 -4.012) 5.082 9.435 ( -2.073 2.330 -4.012) 5.082 9.761 ( -0.970 -2.999 1.694) 3.579 9.761 ( -0.970 2.999 1.694) 3.579 9.934 ( -6.699 -3.710 -2.901) 8.189 9.934 ( -6.699 3.710 -2.901) 8.189 10.060 ( -5.151 -4.558 3.357) 7.654 10.060 ( -5.151 4.558 3.357) 7.654 10.363 ( -6.920 -8.026 -1.004) 10.645 10.363 ( -6.920 8.026 -1.004) 10.645 10.457 ( -9.058 -2.230 -3.529) 9.974 10.457 ( -9.058 2.230 -3.529) 9.974 11.632 ( -8.746 -4.330 0.363) 9.766 11.632 ( -8.746 4.330 0.363) 9.766 11.718 ( -2.716 -0.852 -0.773) 2.950 11.718 ( -2.716 0.852 -0.773) 2.950 12.064 ( -2.172 -3.294 5.093) 6.442 12.064 ( -2.172 3.294 5.093) 6.442 12.415 ( 1.860 -4.079 2.196) 4.992 12.415 ( 1.860 4.079 2.196) 4.992 12.544 ( 4.495 -9.656 0.659) 10.672 12.544 ( 4.495 9.656 0.659) 10.672 12.613 ( 6.933 -1.378 3.487) 7.881 12.613 ( 6.933 1.378 3.487) 7.881 13.098 ( 5.880 -3.535 4.186) 8.037 13.098 ( 5.880 3.535 4.186) 8.037 13.187 ( 9.631 -4.792 0.161) 10.759 13.187 ( 9.631 4.792 0.161) 10.759 13.400 ( 4.148 -2.404 6.202) 7.840 13.400 ( 4.148 2.404 6.202) 7.840 14.519 ( 5.420 -0.068 2.074) 5.804 14.519 ( 5.420 0.068 2.074) 5.804 15.343 ( 6.147 -1.646 1.339) 6.503 15.343 ( 6.147 1.646 1.339) 6.503 15.935 ( 1.810 -3.602 0.882) 4.126 15.935 ( 1.810 3.602 0.882) 4.126 20.625 ( 1.748 -0.381 1.277) 2.199 20.625 ( 1.748 0.381 1.277) 2.199 20.693 ( 1.480 -1.623 2.092) 3.033 20.693 ( 1.480 1.623 2.092) 3.033 21.698 ( 2.964 -1.555 -0.205) 3.353 21.698 ( 2.964 1.555 -0.205) 3.353 21.838 ( 3.084 -2.585 0.986) 4.143 21.838 ( 3.084 2.585 0.986) 4.143 21.969 ( 5.632 -0.257 1.880) 5.943 21.969 ( 5.632 0.257 1.880) 5.943 22.396 ( -1.268 -1.075 -0.540) 1.748 22.396 ( -1.268 1.075 -0.540) 1.748 22.469 ( -0.668 -2.047 -3.027) 3.714 22.469 ( -0.668 2.047 -3.027) 3.714 22.597 ( -0.216 -1.212 -10.206) 10.280 22.597 ( -0.216 1.212 -10.206) 10.280 23.092 ( -2.377 -0.263 -2.483) 3.447 23.092 ( -2.377 0.263 -2.483) 3.447 23.476 ( -6.210 -0.096 -2.041) 6.537 23.476 ( -6.210 0.096 -2.041) 6.537 24.009 ( 0.286 -3.890 0.474) 3.929 24.009 ( 0.286 3.890 0.474) 3.929 24.650 ( 0.322 -2.702 0.539) 2.774 24.650 ( 0.322 2.702 0.539) 2.774 25.361 ( 3.538 -2.552 0.639) 4.409 25.361 ( 3.538 2.552 0.639) 4.409 ======================= Grid point 148 (87/104) ======================= q-point: (-0.60 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 1.926 -4.585 0.057) 4.973 1.721 ( 1.926 4.585 0.057) 4.973 2.066 ( 2.564 -4.732 0.077) 5.383 2.066 ( 2.564 4.732 0.077) 5.383 2.249 ( 7.324 -7.985 6.469) 12.620 2.249 ( 7.324 7.985 6.469) 12.620 2.378 ( 5.275 -1.829 7.269) 9.165 2.378 ( 5.275 1.829 7.269) 9.165 2.499 ( -3.836 -7.501 3.217) 9.019 2.499 ( -3.836 7.501 3.217) 9.019 2.609 ( 1.528 -5.822 -0.248) 6.025 2.609 ( 1.528 5.822 -0.248) 6.025 2.984 ( -5.765 -2.451 1.795) 6.516 2.984 ( -5.765 2.451 1.795) 6.516 3.189 ( 2.811 -6.165 -1.083) 6.862 3.189 ( 2.811 6.165 -1.083) 6.862 3.280 ( 1.760 -1.135 -1.818) 2.773 3.280 ( 1.760 1.135 -1.818) 2.773 3.380 ( 1.796 -8.745 -0.608) 8.948 3.380 ( 1.796 8.745 -0.608) 8.948 3.499 ( 6.360 -3.372 -5.156) 8.854 3.499 ( 6.360 3.372 -5.156) 8.854 3.661 ( 10.979 -3.304 -3.351) 11.945 3.661 ( 10.979 3.304 -3.351) 11.945 3.784 ( 0.218 -2.475 -0.645) 2.567 3.784 ( 0.218 2.475 -0.645) 2.567 3.920 ( -1.112 -3.004 -9.185) 9.728 3.920 ( -1.112 3.004 -9.185) 9.728 3.972 ( 7.432 -2.103 -3.535) 8.494 3.972 ( 7.432 2.103 -3.535) 8.494 4.119 ( 3.832 -0.680 -3.573) 5.283 4.119 ( 3.832 0.680 -3.573) 5.283 4.210 ( 4.516 -2.641 -1.434) 5.424 4.210 ( 4.516 2.641 -1.434) 5.424 4.319 ( 2.830 -5.671 -4.760) 7.926 4.319 ( 2.830 5.671 -4.760) 7.926 4.357 ( 5.706 -5.908 -4.758) 9.492 4.357 ( 5.706 5.908 -4.758) 9.492 4.525 ( -3.780 -6.457 -1.885) 7.716 4.525 ( -3.780 6.457 -1.885) 7.716 4.598 ( 0.944 -4.969 -0.682) 5.104 4.598 ( 0.944 4.969 -0.682) 5.104 4.747 ( 0.477 -4.676 -6.129) 7.724 4.747 ( 0.477 4.676 -6.129) 7.724 4.840 ( 3.723 -1.550 -1.854) 4.439 4.840 ( 3.723 1.550 -1.854) 4.439 4.914 ( -0.838 -2.928 2.308) 3.821 4.914 ( -0.838 2.928 2.308) 3.821 4.986 ( -6.615 -4.550 0.339) 8.036 4.986 ( -6.615 4.550 0.339) 8.036 5.070 ( -0.208 -7.252 -0.762) 7.295 5.070 ( -0.208 7.252 -0.762) 7.295 5.197 ( -3.862 -5.990 -2.459) 7.539 5.197 ( -3.862 5.990 -2.459) 7.539 5.303 ( -0.303 -4.714 -3.001) 5.596 5.303 ( -0.303 4.714 -3.001) 5.596 5.402 ( -3.457 -7.090 2.616) 8.310 5.402 ( -3.457 7.090 2.616) 8.310 5.520 ( 0.210 -7.198 1.410) 7.337 5.520 ( 0.210 7.198 1.410) 7.337 5.634 ( 2.771 -2.464 1.098) 3.868 5.634 ( 2.771 2.464 1.098) 3.868 5.726 ( 11.636 -4.715 3.266) 12.973 5.726 ( 11.636 4.715 3.266) 12.973 5.847 ( 1.639 -4.040 6.967) 8.218 5.847 ( 1.639 4.040 6.967) 8.218 5.996 ( 0.063 -4.450 0.027) 4.451 5.996 ( 0.063 4.450 0.027) 4.451 6.051 ( 10.456 -3.919 8.244) 13.879 6.051 ( 10.456 3.919 8.244) 13.879 6.185 ( 6.982 -4.590 10.487) 13.408 6.185 ( 6.982 4.590 10.487) 13.408 6.299 ( 2.414 -7.248 1.532) 7.792 6.299 ( 2.414 7.248 1.532) 7.792 6.375 ( 9.979 -2.215 5.348) 11.536 6.375 ( 9.979 2.215 5.348) 11.536 6.539 ( 8.762 -2.927 10.609) 14.067 6.539 ( 8.762 2.927 10.608) 14.067 6.591 ( -3.468 -9.857 0.153) 10.450 6.591 ( -3.468 9.857 0.153) 10.450 6.857 ( -2.897 -9.406 0.131) 9.843 6.857 ( -2.897 9.406 0.131) 9.843 6.945 ( -4.120 -3.597 2.038) 5.837 6.945 ( -4.120 3.597 2.038) 5.837 6.972 ( -4.246 -10.983 1.382) 11.856 6.972 ( -4.246 10.983 1.382) 11.856 7.115 ( -1.220 -2.193 0.518) 2.562 7.115 ( -1.220 2.193 0.518) 2.562 7.202 ( 2.349 -6.743 -1.981) 7.410 7.202 ( 2.349 6.743 -1.981) 7.410 7.316 ( 1.265 -6.545 -1.279) 6.788 7.316 ( 1.265 6.545 -1.279) 6.788 7.472 ( -1.494 -4.806 2.283) 5.526 7.472 ( -1.494 4.806 2.283) 5.526 7.638 ( -2.380 -3.637 -1.949) 4.764 7.638 ( -2.380 3.637 -1.949) 4.764 7.678 ( -3.409 -4.616 0.356) 5.750 7.678 ( -3.409 4.616 0.356) 5.750 7.743 ( -7.041 -6.372 -0.070) 9.496 7.743 ( -7.041 6.372 -0.070) 9.496 7.884 ( -2.511 -4.637 -3.739) 6.464 7.884 ( -2.511 4.637 -3.739) 6.464 8.032 ( 1.068 -2.438 -2.480) 3.638 8.032 ( 1.068 2.438 -2.480) 3.638 8.092 ( -0.934 -2.145 3.140) 3.916 8.092 ( -0.934 2.145 3.140) 3.916 8.171 ( -1.066 -1.349 -1.708) 2.424 8.171 ( -1.066 1.349 -1.708) 2.424 8.352 ( -3.552 -5.158 0.977) 6.338 8.352 ( -3.552 5.158 0.977) 6.338 8.399 ( -2.970 -3.501 1.993) 5.005 8.399 ( -2.970 3.501 1.993) 5.005 8.460 ( -0.813 -3.114 -0.070) 3.219 8.460 ( -0.813 3.114 -0.070) 3.219 8.744 ( 6.323 -1.784 -0.807) 6.620 8.744 ( 6.323 1.784 -0.807) 6.620 8.821 ( -3.669 -1.635 -2.412) 4.685 8.821 ( -3.669 1.635 -2.412) 4.685 8.953 ( 1.757 -4.817 2.049) 5.521 8.953 ( 1.757 4.817 2.049) 5.521 9.031 ( 3.262 -8.624 -0.985) 9.273 9.031 ( 3.262 8.624 -0.985) 9.273 9.205 ( 1.678 -3.928 -0.972) 4.380 9.205 ( 1.678 3.928 -0.972) 4.380 9.397 ( 1.005 -2.708 -0.440) 2.922 9.397 ( 1.005 2.708 -0.440) 2.922 9.768 ( -1.066 -2.136 1.732) 2.949 9.768 ( -1.066 2.136 1.732) 2.949 9.831 ( -2.102 -3.091 -1.776) 4.139 9.831 ( -2.102 3.091 -1.776) 4.139 10.013 ( -3.575 -6.057 1.967) 7.303 10.013 ( -3.575 6.057 1.967) 7.303 10.220 ( -7.185 -2.789 -4.504) 8.927 10.220 ( -7.185 2.789 -4.504) 8.927 10.293 ( -5.403 -2.384 -3.077) 6.659 10.293 ( -5.403 2.384 -3.077) 6.659 11.493 ( -6.234 -2.346 -1.637) 6.860 11.493 ( -6.234 2.346 -1.637) 6.860 11.631 ( -4.865 -1.137 -2.595) 5.630 11.631 ( -4.865 1.137 -2.595) 5.630 12.125 ( 1.516 -2.829 6.841) 7.557 12.125 ( 1.516 2.829 6.841) 7.557 12.471 ( 2.077 -3.813 2.340) 4.933 12.471 ( 2.077 3.813 2.340) 4.933 12.617 ( 2.904 -5.175 1.385) 6.093 12.617 ( 2.904 5.175 1.385) 6.093 12.766 ( 5.366 -2.438 5.580) 8.117 12.766 ( 5.366 2.438 5.580) 8.117 13.244 ( 5.428 -4.030 5.235) 8.550 13.244 ( 5.428 4.030 5.235) 8.550 13.313 ( 4.476 -2.262 2.002) 5.400 13.313 ( 4.476 2.262 2.002) 5.400 13.555 ( 5.780 -2.758 6.702) 9.270 13.555 ( 5.780 2.758 6.702) 9.270 14.624 ( 4.508 -0.434 1.889) 4.907 14.624 ( 4.508 0.434 1.889) 4.907 15.448 ( 4.610 -1.787 1.277) 5.106 15.448 ( 4.610 1.787 1.277) 5.106 15.973 ( 1.665 -2.639 0.875) 3.240 15.973 ( 1.665 2.639 0.875) 3.240 20.667 ( 1.635 -0.742 1.265) 2.196 20.667 ( 1.635 0.742 1.265) 2.196 20.736 ( 1.171 -1.697 1.900) 2.803 20.736 ( 1.171 1.697 1.900) 2.803 21.740 ( 2.482 -1.469 -0.686) 2.965 21.740 ( 2.482 1.469 -0.686) 2.965 21.896 ( 2.300 -2.205 1.488) 3.516 21.896 ( 2.300 2.205 1.488) 3.516 22.077 ( 4.797 -0.388 1.709) 5.107 22.077 ( 4.797 0.388 1.709) 5.107 22.348 ( -3.636 -0.418 -0.110) 3.662 22.348 ( -3.636 0.418 -0.110) 3.662 22.426 ( -0.524 -0.367 -5.944) 5.979 22.426 ( -0.524 0.367 -5.944) 5.979 22.480 ( -0.674 -1.180 -10.804) 10.889 22.480 ( -0.674 1.180 -10.804) 10.889 23.030 ( -2.383 -0.182 -1.658) 2.909 23.030 ( -2.383 0.182 -1.658) 2.909 23.358 ( -5.765 -0.034 -0.743) 5.813 23.358 ( -5.765 0.034 -0.743) 5.813 24.024 ( 0.925 -3.490 0.475) 3.642 24.024 ( 0.925 3.490 0.475) 3.642 24.668 ( 1.222 -1.799 0.404) 2.211 24.668 ( 1.222 1.799 0.404) 2.211 25.429 ( 3.663 -2.101 0.476) 4.250 25.429 ( 3.663 2.101 0.476) 4.250 ======================= Grid point 152 (88/104) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 1.424 -7.164 0.490) 7.321 1.750 ( 1.424 7.164 0.490) 7.321 2.077 ( -2.061 -7.896 6.492) 10.428 2.077 ( -2.061 7.896 6.492) 10.428 2.323 ( -4.770 -3.541 -0.772) 5.991 2.323 ( -4.770 3.541 -0.772) 5.991 2.453 ( -2.115 -5.297 5.983) 8.266 2.453 ( -2.115 5.297 5.983) 8.266 2.558 ( 5.329 -3.824 5.106) 8.312 2.558 ( 5.329 3.824 5.106) 8.312 2.648 ( 1.741 -5.508 -0.379) 5.789 2.648 ( 1.741 5.508 -0.379) 5.789 2.919 ( -5.389 -0.787 5.730) 7.905 2.919 ( -5.389 0.787 5.730) 7.905 3.148 ( -4.265 -6.744 -2.039) 8.236 3.148 ( -4.265 6.744 -2.039) 8.236 3.198 ( -6.038 -6.489 0.148) 8.864 3.198 ( -6.038 6.489 0.148) 8.864 3.438 ( 2.601 -7.102 1.670) 7.746 3.438 ( 2.601 7.102 1.670) 7.746 3.558 ( 2.796 -2.059 -5.435) 6.450 3.558 ( 2.796 2.059 -5.435) 6.450 3.688 ( 2.084 -2.482 -8.629) 9.217 3.688 ( 2.084 2.482 -8.629) 9.217 3.772 ( -3.785 -6.199 -6.322) 9.629 3.772 ( -3.785 6.199 -6.322) 9.629 3.865 ( 3.423 -7.019 2.420) 8.176 3.865 ( 3.423 7.019 2.420) 8.176 4.018 ( -6.062 -3.214 -1.493) 7.022 4.018 ( -6.062 3.214 -1.493) 7.022 4.088 ( -5.971 -6.242 -2.420) 8.971 4.088 ( -5.971 6.242 -2.420) 8.971 4.177 ( 2.291 -5.650 -3.753) 7.159 4.177 ( 2.291 5.650 -3.753) 7.159 4.269 ( -4.434 -2.205 -0.839) 5.023 4.269 ( -4.434 2.205 -0.839) 5.023 4.376 ( -3.561 -1.257 -2.510) 4.534 4.376 ( -3.561 1.257 -2.510) 4.534 4.526 ( 6.754 -8.485 -2.520) 11.134 4.526 ( 6.754 8.485 -2.520) 11.134 4.611 ( 0.208 -6.980 -0.788) 7.027 4.611 ( 0.208 6.980 -0.788) 7.027 4.713 ( -0.359 -3.734 2.155) 4.327 4.713 ( -0.359 3.734 2.155) 4.327 4.750 ( -11.774 -4.807 -0.908) 12.750 4.750 ( -11.774 4.807 -0.908) 12.750 4.871 ( -2.517 -6.175 0.394) 6.680 4.871 ( -2.517 6.175 0.394) 6.680 4.973 ( 3.330 -5.412 0.221) 6.358 4.973 ( 3.330 5.412 0.221) 6.358 5.043 ( -0.668 -6.950 -0.668) 7.014 5.043 ( -0.668 6.950 -0.668) 7.014 5.190 ( 1.156 -4.611 -2.122) 5.206 5.190 ( 1.156 4.611 -2.122) 5.206 5.287 ( 4.307 -3.613 -0.629) 5.657 5.287 ( 4.307 3.613 -0.629) 5.657 5.346 ( -1.371 -5.081 -2.708) 5.919 5.346 ( -1.371 5.081 -2.708) 5.919 5.546 ( 1.765 -3.678 2.484) 4.777 5.546 ( 1.765 3.678 2.484) 4.777 5.699 ( 2.002 -3.204 -1.173) 3.956 5.699 ( 2.002 3.204 -1.173) 3.956 5.889 ( -0.190 -8.822 3.082) 9.347 5.889 ( -0.190 8.822 3.082) 9.347 5.995 ( 7.735 -2.590 4.280) 9.212 5.995 ( 7.735 2.590 4.280) 9.212 6.044 ( 7.547 -2.618 1.840) 8.197 6.044 ( 7.547 2.618 1.840) 8.197 6.202 ( -5.281 -4.463 0.730) 6.953 6.202 ( -5.281 4.463 0.730) 6.953 6.374 ( 8.367 -3.559 6.779) 11.341 6.374 ( 8.367 3.559 6.779) 11.341 6.410 ( 2.894 -2.407 1.546) 4.069 6.410 ( 2.894 2.407 1.546) 4.069 6.497 ( 2.239 -4.093 5.408) 7.142 6.497 ( 2.239 4.093 5.408) 7.142 6.677 ( 3.934 -3.134 4.333) 6.638 6.677 ( 3.934 3.134 4.333) 6.638 6.705 ( 0.990 -8.314 7.036) 10.937 6.705 ( 0.990 8.314 7.036) 10.937 6.772 ( -0.935 -3.683 3.006) 4.845 6.772 ( -0.935 3.683 3.006) 4.845 6.880 ( -3.842 -4.179 -2.390) 6.159 6.880 ( -3.842 4.179 -2.390) 6.159 6.964 ( -1.873 -3.148 3.810) 5.285 6.964 ( -1.873 3.148 3.810) 5.285 7.024 ( -4.634 -2.101 1.453) 5.291 7.024 ( -4.634 2.101 1.453) 5.291 7.255 ( -0.407 -1.928 0.988) 2.204 7.255 ( -0.407 1.928 0.988) 2.204 7.327 ( -0.207 -5.338 -2.388) 5.851 7.327 ( -0.207 5.338 -2.388) 5.851 7.389 ( -5.621 -4.453 2.702) 7.663 7.389 ( -5.621 4.453 2.702) 7.663 7.560 ( -3.052 -5.633 -0.173) 6.409 7.560 ( -3.052 5.633 -0.173) 6.409 7.640 ( -0.067 -1.937 -1.792) 2.640 7.640 ( -0.067 1.937 -1.792) 2.640 7.681 ( 0.507 -4.330 -2.448) 5.000 7.681 ( 0.507 4.330 -2.448) 5.000 7.841 ( -0.353 -4.474 -0.546) 4.521 7.841 ( -0.353 4.474 -0.546) 4.521 7.962 ( -4.125 -2.125 -2.125) 5.103 7.962 ( -4.125 2.125 -2.125) 5.103 8.122 ( 0.886 -2.969 3.458) 4.643 8.122 ( 0.886 2.969 3.458) 4.643 8.191 ( 4.405 -1.538 -3.345) 5.741 8.191 ( 4.405 1.538 -3.345) 5.741 8.271 ( -1.971 -6.345 -1.410) 6.792 8.271 ( -1.971 6.345 -1.410) 6.792 8.381 ( -0.336 -5.611 -1.421) 5.798 8.381 ( -0.336 5.611 -1.421) 5.798 8.521 ( 4.341 -2.499 3.414) 6.062 8.521 ( 4.341 2.499 3.414) 6.062 8.727 ( -1.026 -5.058 -4.829) 7.069 8.727 ( -1.026 5.058 -4.829) 7.069 8.854 ( 3.880 -2.511 0.541) 4.653 8.854 ( 3.880 2.511 0.541) 4.653 8.968 ( 0.397 -3.632 -0.651) 3.711 8.968 ( 0.397 3.632 -0.651) 3.711 9.080 ( 3.386 -7.069 -2.560) 8.245 9.080 ( 3.386 7.069 -2.560) 8.245 9.234 ( 5.058 -3.030 -4.665) 7.518 9.234 ( 5.058 3.030 -4.665) 7.518 9.456 ( 3.465 -1.741 1.691) 4.231 9.456 ( 3.465 1.741 1.691) 4.231 9.758 ( -0.594 -3.102 1.362) 3.440 9.758 ( -0.594 3.102 1.362) 3.440 9.826 ( 1.815 -4.337 -1.103) 4.830 9.826 ( 1.815 4.337 -1.103) 4.830 9.975 ( -1.575 -4.008 -0.092) 4.307 9.975 ( -1.575 4.008 -0.092) 4.307 10.085 ( -2.049 -1.240 -4.583) 5.171 10.085 ( -2.049 1.240 -4.583) 5.171 10.215 ( -1.447 -2.525 -1.490) 3.270 10.215 ( -1.447 2.525 -1.490) 3.270 11.413 ( -1.089 -1.751 -1.442) 2.516 11.413 ( -1.089 1.751 -1.442) 2.516 11.548 ( -1.279 -1.653 -2.052) 2.929 11.548 ( -1.279 1.653 -2.052) 2.929 12.200 ( -0.395 -4.011 5.362) 6.708 12.200 ( -0.395 4.011 5.362) 6.708 12.516 ( 0.698 -4.185 1.628) 4.544 12.516 ( 0.698 4.185 1.628) 4.544 12.668 ( 1.379 -3.891 1.489) 4.389 12.668 ( 1.379 3.891 1.489) 4.389 12.878 ( 1.988 -0.938 3.944) 4.515 12.878 ( 1.988 0.938 3.944) 4.515 13.341 ( 1.231 -1.432 2.562) 3.183 13.341 ( 1.231 1.432 2.562) 3.183 13.399 ( 2.485 -2.526 3.118) 4.720 13.399 ( 2.485 2.526 3.118) 4.720 13.680 ( 1.834 -1.812 4.707) 5.367 13.680 ( 1.834 1.812 4.707) 5.367 14.694 ( 2.246 -1.038 0.426) 2.510 14.694 ( 2.246 1.038 0.426) 2.510 15.512 ( 1.985 -1.638 0.119) 2.576 15.512 ( 1.985 1.638 0.119) 2.576 16.005 ( 1.527 -0.069 0.031) 1.529 16.005 ( 1.527 0.069 0.031) 1.529 20.698 ( 0.576 -0.439 0.853) 1.119 20.698 ( 0.576 0.439 0.853) 1.119 20.763 ( 0.460 -0.594 0.929) 1.195 20.763 ( 0.460 0.594 0.929) 1.195 21.762 ( 0.837 -0.875 -1.083) 1.625 21.762 ( 0.837 0.875 -1.083) 1.625 21.945 ( 1.050 -1.398 3.045) 3.511 21.945 ( 1.050 1.398 3.045) 3.511 22.140 ( 1.310 -0.504 -1.799) 2.281 22.140 ( 1.310 0.504 -1.799) 2.281 22.283 ( -3.960 -0.240 0.200) 3.972 22.283 ( -3.960 0.240 0.200) 3.972 22.318 ( -2.684 -1.981 -6.058) 6.916 22.318 ( -2.684 1.981 -6.058) 6.916 22.409 ( 0.985 -2.010 -6.497) 6.872 22.409 ( 0.985 2.010 -6.497) 6.872 22.987 ( -1.633 -0.169 -0.139) 1.647 22.987 ( -1.633 0.169 -0.139) 1.647 23.286 ( -2.937 -0.277 1.781) 3.446 23.286 ( -2.937 0.277 1.781) 3.446 24.049 ( 1.916 -2.687 -0.403) 3.325 24.049 ( 1.916 2.687 -0.403) 3.325 24.697 ( 2.383 -0.618 -0.753) 2.574 24.697 ( 2.383 0.618 -0.753) 2.574 25.485 ( 3.151 -0.834 -1.062) 3.428 25.485 ( 3.151 0.834 -1.062) 3.428 ======================= Grid point 154 (89/104) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -1.425 -10.999 -0.258) 11.094 1.758 ( -1.425 10.999 -0.258) 11.094 2.142 ( -4.712 -5.799 4.445) 8.694 2.142 ( -4.712 5.799 4.445) 8.694 2.210 ( -3.133 -3.956 9.120) 10.423 2.210 ( -3.133 3.955 9.120) 10.423 2.476 ( -3.050 -9.911 8.285) 13.273 2.476 ( -3.050 9.911 8.285) 13.273 2.576 ( -3.601 -0.887 -4.423) 5.772 2.576 ( -3.601 0.887 -4.423) 5.772 2.664 ( 0.332 -8.013 -2.229) 8.323 2.664 ( 0.332 8.013 -2.229) 8.323 2.900 ( -6.345 -2.015 7.045) 9.693 2.900 ( -6.345 2.015 7.045) 9.693 3.043 ( -5.681 -1.944 3.770) 7.090 3.043 ( -5.681 1.944 3.770) 7.090 3.152 ( -1.684 -8.533 -0.281) 8.702 3.152 ( -1.684 8.533 -0.281) 8.702 3.390 ( -9.917 -9.101 -2.653) 13.719 3.390 ( -9.917 9.101 -2.653) 13.719 3.501 ( -5.454 -4.232 -0.229) 6.907 3.501 ( -5.454 4.232 -0.229) 6.907 3.579 ( -6.437 -1.261 -5.576) 8.609 3.579 ( -6.437 1.261 -5.576) 8.609 3.675 ( -2.656 -3.435 -1.930) 4.752 3.675 ( -2.656 3.435 -1.930) 4.752 3.796 ( -14.401 -4.555 0.571) 15.115 3.796 ( -14.401 4.555 0.571) 15.115 3.899 ( -5.589 -4.756 -0.861) 7.389 3.899 ( -5.589 4.756 -0.861) 7.389 3.982 ( -4.359 -1.296 1.913) 4.934 3.982 ( -4.359 1.296 1.913) 4.934 4.155 ( -1.221 -3.487 -4.950) 6.177 4.155 ( -1.221 3.487 -4.950) 6.177 4.226 ( -4.329 -4.790 1.396) 6.606 4.226 ( -4.329 4.790 1.396) 6.606 4.279 ( -3.836 -4.107 4.800) 7.391 4.279 ( -3.836 4.107 4.800) 7.391 4.371 ( -13.368 -10.045 1.075) 16.756 4.371 ( -13.368 10.045 1.075) 16.756 4.525 ( -3.519 -4.522 -0.120) 5.731 4.525 ( -3.519 4.522 -0.120) 5.731 4.716 ( -0.674 -6.289 -0.424) 6.339 4.716 ( -0.674 6.289 -0.424) 6.339 4.800 ( 1.463 -3.169 0.601) 3.542 4.800 ( 1.463 3.169 0.601) 3.542 4.965 ( 9.244 -5.574 1.565) 10.908 4.965 ( 9.244 5.574 1.565) 10.908 5.002 ( 0.539 -2.041 3.796) 4.344 5.002 ( 0.539 2.041 3.796) 4.344 5.021 ( -0.510 -5.839 -1.026) 5.950 5.021 ( -0.510 5.839 -1.026) 5.950 5.172 ( 1.678 -0.167 -1.760) 2.437 5.172 ( 1.678 0.167 -1.760) 2.437 5.308 ( -0.002 -2.543 -3.177) 4.070 5.308 ( -0.002 2.543 -3.177) 4.070 5.434 ( 8.787 -5.386 1.167) 10.372 5.434 ( 8.787 5.386 1.167) 10.372 5.569 ( -0.666 -1.809 -1.042) 2.191 5.569 ( -0.666 1.809 -1.042) 2.191 5.695 ( 2.946 -9.912 -2.932) 10.748 5.695 ( 2.946 9.912 -2.932) 10.748 5.853 ( -8.670 -7.966 -1.935) 11.932 5.853 ( -8.670 7.966 -1.935) 11.932 5.992 ( -5.119 -0.850 -1.042) 5.292 5.992 ( -5.119 0.850 -1.042) 5.292 6.103 ( -0.430 -4.565 -3.072) 5.519 6.103 ( -0.430 4.565 -3.072) 5.519 6.227 ( 1.547 -5.329 3.789) 6.719 6.227 ( 1.547 5.329 3.789) 6.719 6.319 ( -9.542 -7.409 -4.913) 13.041 6.319 ( -9.542 7.409 -4.913) 13.041 6.400 ( -5.801 -1.287 0.078) 5.942 6.400 ( -5.801 1.287 0.078) 5.942 6.578 ( 2.089 -3.353 1.318) 4.165 6.578 ( 2.089 3.353 1.318) 4.165 6.656 ( -4.277 -1.850 -1.803) 4.997 6.656 ( -4.277 1.850 -1.803) 4.997 6.757 ( -4.391 -3.204 1.248) 5.577 6.757 ( -4.391 3.204 1.248) 5.577 6.802 ( 4.568 -2.469 4.301) 6.743 6.802 ( 4.568 2.469 4.301) 6.743 6.926 ( 3.608 -5.774 2.082) 7.120 6.926 ( 3.608 5.774 2.082) 7.120 6.976 ( 0.435 -5.540 1.661) 5.800 6.976 ( 0.435 5.540 1.661) 5.800 7.054 ( 2.157 -1.939 5.409) 6.137 7.054 ( 2.157 1.939 5.409) 6.137 7.173 ( -4.024 -4.624 1.218) 6.249 7.173 ( -4.024 4.624 1.218) 6.249 7.307 ( 0.326 -4.054 -0.996) 4.188 7.307 ( 0.326 4.054 -0.996) 4.188 7.436 ( 1.729 -6.637 7.988) 10.529 7.436 ( 1.729 6.637 7.988) 10.529 7.558 ( 1.774 -2.185 -1.949) 3.424 7.558 ( 1.774 2.185 -1.949) 3.424 7.607 ( -0.311 -3.677 0.176) 3.694 7.607 ( -0.311 3.677 0.176) 3.694 7.710 ( 3.806 -3.083 -1.020) 5.003 7.710 ( 3.806 3.083 -1.020) 5.003 7.850 ( 1.978 -3.533 -0.894) 4.146 7.850 ( 1.978 3.533 -0.894) 4.146 7.931 ( 1.605 -3.199 0.994) 3.715 7.931 ( 1.605 3.199 0.994) 3.715 8.176 ( 2.014 -2.565 2.243) 3.959 8.176 ( 2.014 2.565 2.243) 3.959 8.217 ( 2.306 -2.681 -3.746) 5.152 8.217 ( 2.306 2.681 -3.746) 5.152 8.290 ( 3.749 -3.064 -1.278) 5.008 8.290 ( 3.749 3.064 -1.278) 5.008 8.384 ( 3.633 -5.370 -0.760) 6.528 8.384 ( 3.633 5.370 -0.760) 6.528 8.589 ( 0.561 -1.708 -0.007) 1.798 8.589 ( 0.561 1.708 -0.007) 1.798 8.696 ( 2.827 -1.627 -3.375) 4.693 8.696 ( 2.827 1.627 -3.375) 4.693 8.870 ( -0.818 -1.537 -1.934) 2.602 8.870 ( -0.818 1.537 -1.934) 2.602 8.983 ( 1.408 -5.399 -1.422) 5.758 8.983 ( 1.408 5.399 -1.422) 5.758 9.099 ( 3.955 -5.078 -3.249) 7.210 9.099 ( 3.955 5.078 -3.249) 7.210 9.291 ( 7.246 -2.193 -6.425) 9.930 9.291 ( 7.246 2.193 -6.425) 9.930 9.493 ( 0.922 -3.964 -1.576) 4.365 9.493 ( 0.922 3.964 -1.576) 4.365 9.764 ( 0.370 -5.858 0.951) 5.946 9.764 ( 0.370 5.858 0.951) 5.946 9.856 ( 2.135 -5.636 -2.014) 6.354 9.856 ( 2.135 5.636 -2.014) 6.354 10.013 ( 6.142 -1.130 1.706) 6.474 10.013 ( 6.142 1.130 1.706) 6.474 10.081 ( 5.039 -1.084 -1.395) 5.340 10.081 ( 5.039 1.084 -1.395) 5.340 10.221 ( 2.829 -0.394 0.637) 2.927 10.221 ( 2.829 0.394 0.637) 2.927 11.443 ( 5.543 -0.891 0.171) 5.616 11.443 ( 5.543 0.891 0.171) 5.616 11.569 ( 4.624 -1.765 0.109) 4.951 11.569 ( 4.624 1.765 0.109) 4.951 12.205 ( -3.649 -5.746 3.046) 7.457 12.205 ( -3.649 5.746 3.046) 7.457 12.520 ( -1.210 -5.238 0.125) 5.378 12.520 ( -1.210 5.238 0.125) 5.378 12.676 ( -1.415 -3.919 -0.523) 4.199 12.676 ( -1.415 3.919 -0.523) 4.199 12.897 ( -2.146 -3.357 0.128) 3.986 12.897 ( -2.146 3.357 0.128) 3.986 13.341 ( -2.716 -1.898 -0.325) 3.329 13.341 ( -2.716 1.898 -0.325) 3.329 13.419 ( -2.147 -0.219 -0.617) 2.244 13.419 ( -2.147 0.219 -0.617) 2.244 13.697 ( -3.078 -0.627 1.393) 3.436 13.697 ( -3.078 0.627 1.393) 3.436 14.703 ( -0.531 -1.730 -1.779) 2.538 14.703 ( -0.531 1.730 -1.779) 2.538 15.513 ( -1.044 -1.273 -1.736) 2.393 15.513 ( -1.044 1.273 -1.736) 2.393 16.022 ( 1.089 -2.970 -1.326) 3.430 16.022 ( 1.089 2.970 -1.326) 3.430 20.694 ( -1.425 -0.780 -0.156) 1.632 20.694 ( -1.425 0.780 -0.156) 1.632 20.771 ( -0.013 -1.498 -0.084) 1.500 20.771 ( -0.013 1.498 -0.084) 1.500 21.738 ( -2.187 -0.373 -1.480) 2.667 21.738 ( -2.187 0.373 -1.480) 2.667 21.985 ( -1.065 -1.106 4.365) 4.628 21.985 ( -1.065 1.106 4.365) 4.628 22.058 ( -3.989 -0.438 -6.901) 7.983 22.058 ( -3.989 0.438 -6.901) 7.983 22.233 ( -2.859 -0.106 1.734) 3.346 22.233 ( -2.859 0.106 1.734) 3.346 22.270 ( -1.082 -1.734 0.723) 2.167 22.270 ( -1.082 1.734 0.723) 2.167 22.389 ( 1.954 -1.926 -2.344) 3.609 22.389 ( 1.954 1.926 -2.344) 3.609 22.975 ( -0.466 -0.173 1.439) 1.522 22.975 ( -0.466 0.173 1.439) 1.522 23.304 ( 1.928 -1.197 4.017) 4.614 23.304 ( 1.928 1.197 4.017) 4.614 24.080 ( 3.111 -2.143 -1.983) 4.267 24.080 ( 3.111 2.143 -1.983) 4.267 24.730 ( 3.367 -3.549 -2.620) 5.549 24.730 ( 3.367 3.549 -2.620) 5.549 25.506 ( 1.709 -0.731 -3.482) 3.947 25.506 ( 1.709 0.731 -3.482) 3.947 ======================= Grid point 156 (90/104) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -6.005 -4.780 0.234) 7.679 1.693 ( -6.005 4.780 0.234) 7.679 2.009 ( -9.560 -6.952 3.040) 12.206 2.009 ( -9.560 6.952 3.040) 12.206 2.275 ( -9.171 -9.555 -1.224) 13.300 2.275 ( -9.171 9.555 -1.224) 13.300 2.403 ( -9.029 -1.666 -5.772) 10.845 2.403 ( -9.029 1.666 -5.772) 10.845 2.560 ( 2.314 -7.874 8.251) 11.638 2.560 ( 2.314 7.874 8.251) 11.638 2.634 ( 1.065 -7.984 4.975) 9.467 2.634 ( 1.065 7.984 4.975) 9.467 2.809 ( -11.542 -3.060 6.959) 13.820 2.809 ( -11.542 3.060 6.959) 13.820 2.977 ( -9.641 -2.577 3.437) 10.555 2.977 ( -9.641 2.577 3.437) 10.555 3.079 ( -11.045 -4.492 1.199) 11.984 3.079 ( -11.045 4.492 1.199) 11.984 3.173 ( -9.231 -6.407 1.363) 11.319 3.173 ( -9.231 6.407 1.363) 11.319 3.325 ( -12.962 -5.083 3.316) 14.313 3.325 ( -12.962 5.083 3.316) 14.313 3.433 ( -10.803 -6.503 3.105) 12.986 3.433 ( -10.803 6.503 3.105) 12.986 3.554 ( -5.263 -0.858 -1.001) 5.425 3.554 ( -5.263 0.858 -1.001) 5.425 3.681 ( -6.352 -5.015 7.908) 11.315 3.681 ( -6.352 5.015 7.908) 11.315 3.768 ( -7.678 -3.701 0.198) 8.526 3.768 ( -7.678 3.701 0.198) 8.526 3.909 ( -3.949 -5.462 -0.639) 6.770 3.909 ( -3.949 5.462 -0.639) 6.770 4.058 ( -2.540 -4.977 -2.261) 6.028 4.058 ( -2.540 4.977 -2.261) 6.028 4.178 ( -0.713 -5.720 2.298) 6.206 4.178 ( -0.713 5.720 2.298) 6.206 4.266 ( -3.346 -4.654 0.896) 5.802 4.266 ( -3.346 4.654 0.896) 5.802 4.349 ( -2.813 -4.352 5.570) 7.608 4.349 ( -2.813 4.352 5.570) 7.608 4.492 ( -3.450 -6.031 3.819) 7.928 4.492 ( -3.450 6.031 3.819) 7.928 4.644 ( -0.536 -7.265 0.255) 7.289 4.644 ( -0.536 7.265 0.255) 7.289 4.783 ( -3.298 -2.444 -1.747) 4.461 4.783 ( -3.298 2.444 -1.747) 4.461 4.922 ( -6.982 -3.390 -0.013) 7.762 4.922 ( -6.982 3.390 -0.013) 7.762 4.994 ( -5.815 -1.319 0.319) 5.972 4.994 ( -5.815 1.319 0.319) 5.972 5.144 ( 2.054 -9.266 2.620) 9.846 5.144 ( 2.054 9.266 2.620) 9.846 5.230 ( 9.843 -8.481 -2.372) 13.207 5.230 ( 9.843 8.481 -2.372) 13.207 5.321 ( 1.493 -5.066 0.758) 5.336 5.321 ( 1.493 5.066 0.758) 5.336 5.518 ( -4.968 -7.147 -1.102) 8.773 5.518 ( -4.968 7.147 -1.102) 8.773 5.548 ( -0.107 -4.550 -1.456) 4.778 5.548 ( -0.107 4.550 -1.456) 4.778 5.644 ( -2.883 -2.976 -2.815) 5.010 5.644 ( -2.883 2.976 -2.815) 5.010 5.768 ( 1.716 -6.913 -3.414) 7.899 5.768 ( 1.716 6.913 -3.414) 7.899 5.831 ( -9.198 -1.805 -1.782) 9.541 5.831 ( -9.198 1.805 -1.782) 9.541 5.909 ( -9.630 -1.491 -3.794) 10.457 5.909 ( -9.630 1.491 -3.794) 10.457 6.186 ( 0.532 -0.912 -1.955) 2.222 6.186 ( 0.532 0.912 -1.955) 2.222 6.240 ( -3.139 -4.110 -4.261) 6.701 6.240 ( -3.139 4.110 -4.261) 6.701 6.365 ( -3.255 -5.168 0.137) 6.109 6.365 ( -3.255 5.168 0.137) 6.109 6.486 ( -3.458 -6.488 -7.208) 10.296 6.486 ( -3.458 6.488 -7.208) 10.296 6.545 ( -4.849 -2.371 -4.172) 6.822 6.545 ( -4.849 2.371 -4.172) 6.822 6.740 ( 4.311 -2.306 -2.905) 5.687 6.740 ( 4.311 2.306 -2.905) 5.687 6.870 ( -2.860 -4.112 0.831) 5.078 6.870 ( -2.860 4.112 0.831) 5.078 6.926 ( -1.190 -2.718 2.579) 3.931 6.926 ( -1.190 2.718 2.579) 3.931 7.026 ( -1.179 -5.714 1.998) 6.167 7.026 ( -1.179 5.714 1.998) 6.167 7.127 ( 8.093 -6.590 -0.525) 10.450 7.127 ( 8.093 6.590 -0.525) 10.450 7.217 ( 1.431 -3.125 1.142) 3.622 7.217 ( 1.431 3.125 1.142) 3.622 7.298 ( 1.596 -5.492 0.813) 5.777 7.298 ( 1.596 5.492 0.813) 5.777 7.534 ( -3.145 -4.475 5.159) 7.519 7.534 ( -3.145 4.475 5.159) 7.519 7.578 ( 2.623 -4.987 1.578) 5.851 7.578 ( 2.623 4.987 1.578) 5.851 7.638 ( 1.273 -4.714 1.118) 5.010 7.638 ( 1.273 4.714 1.118) 5.010 7.745 ( 0.656 -4.034 3.077) 5.116 7.745 ( 0.656 4.034 3.077) 5.116 7.879 ( 2.512 -2.651 -1.916) 4.124 7.879 ( 2.512 2.651 -1.916) 4.124 7.995 ( 3.593 -3.124 -3.561) 5.946 7.995 ( 3.593 3.124 -3.561) 5.946 8.187 ( 0.861 -3.146 -0.644) 3.324 8.187 ( 0.861 3.146 -0.644) 3.324 8.241 ( 2.989 -3.130 0.398) 4.346 8.241 ( 2.989 3.130 0.398) 4.346 8.354 ( 4.268 -4.679 -0.114) 6.334 8.354 ( 4.268 4.679 -0.114) 6.334 8.452 ( 2.901 -4.982 -0.200) 5.769 8.452 ( 2.901 4.982 -0.200) 5.769 8.615 ( 2.960 -7.883 1.359) 8.530 8.615 ( 2.960 7.883 1.359) 8.530 8.711 ( 2.909 -10.280 -5.934) 12.221 8.711 ( 2.909 10.280 -5.934) 12.221 8.849 ( 1.721 -3.162 -1.454) 3.883 8.849 ( 1.721 3.162 -1.454) 3.883 8.980 ( 1.384 -6.852 -1.024) 7.065 8.980 ( 1.384 6.852 -1.024) 7.065 9.156 ( 4.232 -4.422 -0.782) 6.171 9.156 ( 4.232 4.422 -0.782) 6.171 9.328 ( 6.179 -3.178 -10.349) 12.465 9.328 ( 6.179 3.178 -10.349) 12.465 9.486 ( 1.856 -5.887 -3.593) 7.142 9.486 ( 1.856 5.887 -3.593) 7.142 9.811 ( 2.571 -3.594 1.204) 4.580 9.811 ( 2.571 3.594 1.204) 4.580 9.857 ( 2.093 -2.919 -1.493) 3.890 9.857 ( 2.093 2.919 -1.493) 3.890 10.134 ( 6.137 -5.798 0.750) 8.476 10.134 ( 6.137 5.798 0.750) 8.476 10.230 ( 9.028 -3.068 2.438) 9.842 10.230 ( 9.028 3.068 2.438) 9.842 10.336 ( 10.197 -2.108 2.251) 10.653 10.336 ( 10.197 2.108 2.251) 10.653 11.593 ( 10.549 -1.397 1.323) 10.723 11.593 ( 10.549 1.397 1.323) 10.723 11.675 ( 6.363 -1.112 0.778) 6.506 11.675 ( 6.363 1.112 0.778) 6.506 12.155 ( -3.993 -6.650 1.525) 7.905 12.155 ( -3.993 6.650 1.525) 7.905 12.483 ( -2.131 -5.463 -1.197) 5.985 12.483 ( -2.131 5.463 -1.197) 5.985 12.606 ( -5.016 -3.257 -2.632) 6.534 12.606 ( -5.016 3.257 -2.632) 6.534 12.808 ( -6.044 -3.981 -3.894) 8.218 12.808 ( -6.044 3.981 -3.894) 8.218 13.238 ( -7.417 -2.021 -3.286) 8.360 13.238 ( -7.417 2.021 -3.286) 8.360 13.319 ( -6.369 -1.090 -4.306) 7.764 13.319 ( -6.369 1.090 -4.306) 7.764 13.621 ( -4.839 -2.852 -2.293) 6.067 13.621 ( -4.839 2.852 -2.293) 6.067 14.643 ( -3.180 -2.691 -3.885) 5.696 14.643 ( -3.180 2.691 -3.885) 5.696 15.446 ( -3.812 -1.075 -3.542) 5.313 15.446 ( -3.812 1.075 -3.542) 5.313 16.013 ( 0.021 -4.962 -2.669) 5.634 16.013 ( 0.021 4.962 -2.669) 5.634 20.656 ( -2.323 -1.448 -0.600) 2.803 20.656 ( -2.323 1.448 -0.600) 2.803 20.757 ( -0.999 -2.731 -1.185) 3.140 20.757 ( -0.999 2.731 -1.185) 3.140 21.675 ( -3.752 -0.965 -0.207) 3.880 21.675 ( -3.752 0.965 -0.207) 3.880 21.922 ( -4.882 -1.585 -4.656) 6.930 21.922 ( -4.882 1.585 -4.656) 6.930 21.966 ( -5.390 -0.766 2.164) 5.859 21.966 ( -5.390 0.766 2.164) 5.859 22.239 ( -0.692 -0.552 5.209) 5.284 22.239 ( -0.692 0.552 5.209) 5.284 22.280 ( -0.081 -1.275 4.247) 4.435 22.280 ( -0.081 1.275 4.247) 4.435 22.421 ( 2.711 -1.561 0.416) 3.156 22.421 ( 2.711 1.561 0.416) 3.156 22.996 ( 0.540 -0.377 2.742) 2.820 22.996 ( 0.540 0.377 2.742) 2.820 23.422 ( 7.101 -2.971 3.847) 8.606 23.422 ( 7.101 2.971 3.847) 8.606 24.112 ( 4.014 -2.355 -4.181) 6.256 24.112 ( 4.014 2.355 -4.181) 6.256 24.755 ( 3.603 -5.676 -4.647) 8.173 24.755 ( 3.603 5.676 -4.647) 8.173 25.472 ( -0.760 -2.142 -5.334) 5.798 25.472 ( -0.760 2.142 -5.334) 5.798 ======================= Grid point 158 (91/104) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -14.123 -7.462 -6.398) 17.207 1.522 ( -14.123 7.462 -6.398) 17.207 1.832 ( -17.356 -9.970 -1.355) 20.062 1.832 ( -17.356 9.970 -1.355) 20.062 2.037 ( -6.843 -12.469 -3.264) 14.593 2.037 ( -6.843 12.469 -3.264) 14.593 2.100 ( -16.152 -7.235 -4.878) 18.358 2.100 ( -16.152 7.235 -4.878) 18.358 2.499 ( -17.289 -2.549 -1.058) 17.508 2.499 ( -17.289 2.549 -1.058) 17.508 2.583 ( -12.187 -4.914 3.198) 13.524 2.583 ( -12.187 4.914 3.198) 13.524 2.767 ( -6.493 -7.599 1.349) 10.086 2.767 ( -6.493 7.599 1.349) 10.086 2.931 ( -0.067 -3.766 10.793) 11.432 2.931 ( -0.067 3.766 10.793) 11.431 3.006 ( 3.503 -5.276 18.111) 19.186 3.006 ( 3.503 5.276 18.111) 19.186 3.135 ( -1.792 -3.164 2.485) 4.405 3.135 ( -1.792 3.164 2.485) 4.405 3.220 ( -5.794 -4.197 10.163) 12.429 3.220 ( -5.794 4.197 10.163) 12.429 3.337 ( -3.798 -2.696 1.011) 4.766 3.337 ( -3.798 2.696 1.011) 4.766 3.487 ( -6.710 -6.296 6.537) 11.287 3.487 ( -6.710 6.296 6.537) 11.287 3.611 ( -7.504 -5.375 5.618) 10.806 3.611 ( -7.504 5.375 5.618) 10.806 3.677 ( -5.491 -3.899 0.311) 6.742 3.677 ( -5.491 3.899 0.311) 6.742 3.874 ( -0.046 -6.061 -1.837) 6.333 3.874 ( -0.046 6.061 -1.837) 6.333 4.018 ( -2.436 -3.105 0.697) 4.008 4.018 ( -2.436 3.105 0.697) 4.008 4.185 ( -3.835 -1.909 4.487) 6.203 4.185 ( -3.835 1.909 4.487) 6.203 4.226 ( -4.109 -3.169 -0.364) 5.202 4.226 ( -4.109 3.169 -0.364) 5.202 4.312 ( -1.972 -1.078 4.661) 5.175 4.312 ( -1.972 1.078 4.661) 5.175 4.487 ( 0.295 -5.369 1.615) 5.614 4.487 ( 0.295 5.369 1.615) 5.614 4.621 ( -8.369 -3.485 0.058) 9.065 4.621 ( -8.369 3.485 0.058) 9.065 4.682 ( -3.311 -4.258 -0.479) 5.415 4.682 ( -3.311 4.258 -0.479) 5.415 4.864 ( -2.844 -2.759 3.642) 5.382 4.864 ( -2.844 2.759 3.642) 5.382 4.908 ( -4.328 -3.611 -0.392) 5.650 4.908 ( -4.328 3.611 -0.392) 5.650 5.075 ( -8.189 -2.635 2.569) 8.978 5.075 ( -8.189 2.635 2.569) 8.978 5.257 ( -1.912 -6.628 -2.360) 7.291 5.257 ( -1.912 6.628 -2.360) 7.291 5.359 ( -0.317 -3.214 -2.079) 3.841 5.359 ( -0.317 3.214 -2.079) 3.841 5.425 ( 0.975 -2.480 -0.693) 2.753 5.425 ( 0.975 2.480 -0.693) 2.753 5.490 ( -6.949 -6.324 1.864) 9.579 5.490 ( -6.949 6.324 1.864) 9.579 5.587 ( -3.529 -1.773 3.031) 4.979 5.587 ( -3.529 1.773 3.031) 4.979 5.705 ( -3.220 -2.372 -0.419) 4.021 5.705 ( -3.220 2.372 -0.419) 4.021 5.765 ( 1.572 -4.031 -2.345) 4.921 5.765 ( 1.572 4.031 -2.345) 4.921 5.885 ( 4.378 -9.984 -5.856) 12.375 5.885 ( 4.378 9.984 -5.856) 12.375 6.072 ( -6.460 -5.911 -9.534) 12.944 6.072 ( -6.460 5.911 -9.534) 12.944 6.160 ( -0.966 -5.033 0.245) 5.131 6.160 ( -0.966 5.033 0.245) 5.131 6.314 ( 2.446 -8.343 -5.632) 10.359 6.314 ( 2.446 8.343 -5.632) 10.359 6.389 ( 0.432 -0.526 -7.544) 7.575 6.389 ( 0.432 0.526 -7.544) 7.575 6.542 ( 6.034 -2.616 -2.285) 6.962 6.542 ( 6.034 2.616 -2.285) 6.962 6.747 ( -1.065 -3.323 -1.939) 3.992 6.747 ( -1.065 3.323 -1.939) 3.992 6.840 ( -1.909 -6.252 1.206) 6.647 6.840 ( -1.909 6.252 1.206) 6.647 6.934 ( 0.107 -4.349 1.026) 4.469 6.934 ( 0.107 4.349 1.026) 4.469 7.022 ( 0.885 -1.643 -0.009) 1.866 7.022 ( 0.885 1.643 -0.009) 1.866 7.128 ( -1.386 -1.857 -6.236) 6.652 7.128 ( -1.386 1.857 -6.236) 6.652 7.273 ( 2.878 -4.540 -6.355) 8.324 7.273 ( 2.878 4.540 -6.355) 8.324 7.367 ( 0.694 -6.631 5.186) 8.447 7.367 ( 0.694 6.631 5.186) 8.447 7.454 ( -4.255 -9.416 -4.940) 11.453 7.454 ( -4.255 9.416 -4.940) 11.453 7.580 ( -3.262 -2.952 4.725) 6.456 7.580 ( -3.262 2.952 4.725) 6.456 7.669 ( -0.701 -0.968 5.249) 5.383 7.669 ( -0.701 0.968 5.249) 5.383 7.769 ( -1.826 -2.357 0.238) 2.991 7.769 ( -1.826 2.357 0.238) 2.991 7.891 ( -0.652 -2.733 0.622) 2.878 7.891 ( -0.652 2.733 0.622) 2.878 8.026 ( 6.804 -1.323 0.441) 6.945 8.026 ( 6.804 1.323 0.441) 6.945 8.193 ( -0.536 -1.393 -3.850) 4.130 8.193 ( -0.536 1.393 -3.850) 4.130 8.306 ( 0.914 -7.355 5.028) 8.956 8.306 ( 0.914 7.355 5.028) 8.956 8.415 ( 2.164 -9.003 -0.204) 9.261 8.415 ( 2.164 9.003 -0.204) 9.261 8.509 ( 4.555 -0.841 0.039) 4.632 8.509 ( 4.555 0.841 0.039) 4.632 8.647 ( 1.529 -3.594 -4.018) 5.603 8.647 ( 1.529 3.594 -4.018) 5.603 8.695 ( 1.297 -5.368 -4.415) 7.070 8.695 ( 1.297 5.368 -4.415) 7.070 8.873 ( 3.846 -4.688 -3.099) 6.810 8.873 ( 3.846 4.688 -3.099) 6.810 9.062 ( 5.684 -8.013 2.059) 10.037 9.062 ( 5.684 8.013 2.059) 10.037 9.171 ( 1.788 -7.427 -10.397) 12.902 9.171 ( 1.788 7.427 -10.397) 12.902 9.324 ( 4.164 -3.075 -4.543) 6.887 9.324 ( 4.164 3.075 -4.543) 6.887 9.476 ( 0.590 -6.821 -4.198) 8.031 9.476 ( 0.590 6.821 -4.198) 8.031 9.832 ( 2.163 -2.838 -1.935) 4.059 9.832 ( 2.163 2.838 -1.935) 4.059 9.947 ( 5.641 -3.537 3.079) 7.336 9.947 ( 5.641 3.537 3.079) 7.336 10.239 ( 6.225 -6.743 -0.753) 9.208 10.239 ( 6.225 6.743 -0.753) 9.208 10.384 ( 6.018 -0.710 4.506) 7.551 10.384 ( 6.018 0.710 4.506) 7.551 10.570 ( 13.332 -0.919 1.067) 13.406 10.570 ( 13.332 0.919 1.067) 13.406 11.710 ( 0.666 -2.577 0.024) 2.662 11.710 ( 0.666 2.577 0.024) 2.662 11.829 ( 11.570 -1.199 0.411) 11.639 11.829 ( 11.570 1.199 0.411) 11.639 12.136 ( 0.709 -5.989 1.710) 6.268 12.136 ( 0.709 5.989 1.710) 6.268 12.428 ( -5.300 -7.786 -1.574) 9.549 12.428 ( -5.300 7.786 -1.574) 9.549 12.497 ( -1.260 -3.057 -2.261) 4.005 12.497 ( -1.260 3.057 -2.261) 4.005 12.637 ( -7.814 -4.315 -6.165) 10.848 12.637 ( -7.814 4.315 -6.165) 10.848 13.035 ( -12.037 -1.531 -4.579) 12.969 13.035 ( -12.037 1.531 -4.579) 12.969 13.156 ( -6.113 -2.230 -5.391) 8.451 13.156 ( -6.113 2.230 -5.391) 8.451 13.506 ( -4.642 -3.729 -4.709) 7.591 13.506 ( -4.642 3.729 -4.709) 7.591 14.535 ( -4.313 -3.852 -4.698) 7.451 14.535 ( -4.313 3.852 -4.698) 7.451 15.328 ( -5.187 -1.378 -4.389) 6.934 15.328 ( -5.187 1.378 -4.389) 6.934 15.974 ( -1.044 -5.029 -3.337) 6.125 15.974 ( -1.044 5.029 -3.337) 6.125 20.612 ( -2.168 -1.518 -0.491) 2.692 20.612 ( -2.168 1.518 -0.491) 2.692 20.719 ( -1.665 -2.903 -1.773) 3.787 20.719 ( -1.665 2.903 -1.773) 3.787 21.621 ( -3.283 -0.467 1.353) 3.581 21.621 ( -3.283 0.467 1.353) 3.581 21.810 ( -4.570 -1.607 -1.797) 5.167 21.810 ( -4.570 1.607 -1.797) 5.167 21.876 ( -6.205 -1.054 0.844) 6.350 21.876 ( -6.205 1.054 0.844) 6.350 22.280 ( -0.774 -0.513 5.593) 5.669 22.280 ( -0.774 0.513 5.593) 5.669 22.351 ( 1.357 -1.755 7.070) 7.410 22.351 ( 1.357 1.755 7.070) 7.410 22.485 ( 3.571 -1.942 1.723) 4.415 22.485 ( 3.571 1.942 1.723) 4.415 23.043 ( 1.301 -0.738 3.571) 3.872 23.043 ( 1.301 0.738 3.571) 3.872 23.588 ( 9.093 -4.919 0.640) 10.358 23.588 ( 9.093 4.919 0.640) 10.358 24.129 ( 3.905 -2.862 -6.562) 8.155 24.129 ( 3.905 2.862 -6.562) 8.155 24.759 ( 2.859 -6.085 -6.025) 9.028 24.759 ( 2.859 6.085 -6.025) 9.028 25.388 ( -2.858 -3.103 -4.933) 6.490 25.388 ( -2.858 3.103 -4.933) 6.490 ======================= Grid point 160 (92/104) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -15.066 -2.550 -13.529) 20.409 1.127 ( -15.066 2.550 -13.529) 20.409 1.455 ( -21.104 -5.863 -6.757) 22.922 1.455 ( -21.104 5.863 -6.757) 22.922 1.710 ( -15.510 -1.332 -7.328) 17.206 1.710 ( -15.510 1.332 -7.328) 17.206 2.078 ( -1.124 -11.074 4.085) 11.857 2.078 ( -1.124 11.074 4.085) 11.857 2.184 ( -11.287 -6.688 2.956) 13.449 2.184 ( -11.287 6.688 2.956) 13.449 2.523 ( -4.059 -6.755 1.380) 8.000 2.523 ( -4.059 6.755 1.380) 8.000 2.689 ( -2.610 -11.459 9.330) 15.006 2.689 ( -2.610 11.459 9.330) 15.006 2.956 ( -7.385 -1.240 -1.590) 7.656 2.956 ( -7.385 1.240 -1.590) 7.656 3.134 ( 3.748 -14.010 2.903) 14.790 3.134 ( 3.748 14.010 2.903) 14.790 3.202 ( 3.789 -6.290 3.161) 7.995 3.202 ( 3.789 6.290 3.161) 7.995 3.343 ( 2.716 -1.503 11.539) 11.950 3.343 ( 2.716 1.503 11.539) 11.950 3.392 ( 3.444 -3.842 7.988) 9.510 3.392 ( 3.444 3.842 7.988) 9.510 3.462 ( -3.693 -3.933 10.548) 11.847 3.462 ( -3.693 3.933 10.548) 11.847 3.549 ( -5.901 -5.190 5.085) 9.361 3.549 ( -5.901 5.190 5.085) 9.361 3.638 ( 1.591 -0.316 2.259) 2.781 3.638 ( 1.591 0.316 2.259) 2.781 3.845 ( -0.243 -2.852 -1.508) 3.235 3.845 ( -0.243 2.852 -1.508) 3.235 3.960 ( -5.785 -6.084 1.248) 8.488 3.960 ( -5.785 6.084 1.248) 8.488 4.065 ( -8.608 -0.155 -0.853) 8.651 4.065 ( -8.608 0.155 -0.853) 8.651 4.163 ( -4.591 -4.067 2.603) 6.663 4.163 ( -4.591 4.067 2.603) 6.663 4.374 ( -1.411 -5.333 4.512) 7.127 4.374 ( -1.411 5.333 4.512) 7.127 4.472 ( -4.170 -5.619 -0.261) 7.002 4.472 ( -4.170 5.619 -0.261) 7.002 4.550 ( 3.250 -4.947 1.944) 6.231 4.550 ( 3.250 4.947 1.944) 6.231 4.669 ( -1.725 -4.727 2.374) 5.564 4.669 ( -1.725 4.727 2.374) 5.564 4.754 ( -4.588 -5.392 0.821) 7.127 4.754 ( -4.588 5.392 0.821) 7.127 4.877 ( -3.483 -2.745 0.552) 4.469 4.877 ( -3.483 2.745 0.552) 4.469 5.089 ( -1.424 -2.239 9.533) 9.896 5.089 ( -1.424 2.239 9.533) 9.896 5.190 ( -2.722 -8.363 -1.396) 8.905 5.190 ( -2.722 8.363 -1.396) 8.905 5.279 ( -2.718 -2.524 0.138) 3.711 5.279 ( -2.718 2.524 0.138) 3.711 5.379 ( -4.396 -0.795 -0.615) 4.510 5.379 ( -4.396 0.795 -0.615) 4.510 5.499 ( -0.596 -4.306 -2.438) 4.984 5.499 ( -0.596 4.306 -2.438) 4.984 5.551 ( 0.272 -3.258 4.129) 5.267 5.551 ( 0.272 3.258 4.129) 5.267 5.683 ( -0.678 -5.684 4.371) 7.202 5.683 ( -0.678 5.684 4.371) 7.202 5.789 ( 0.526 -5.283 -2.412) 5.831 5.789 ( 0.526 5.283 -2.412) 5.831 5.854 ( 1.782 -3.837 -8.379) 9.387 5.854 ( 1.782 3.837 -8.379) 9.387 5.958 ( 1.899 -5.937 -2.825) 6.843 5.958 ( 1.899 5.937 -2.825) 6.843 6.181 ( 2.767 -4.521 -0.331) 5.311 6.181 ( 2.767 4.521 -0.331) 5.311 6.282 ( -1.431 -3.006 -4.905) 5.928 6.282 ( -1.431 3.006 -4.905) 5.928 6.376 ( 5.825 -6.652 -7.095) 11.337 6.376 ( 5.825 6.652 -7.095) 11.337 6.597 ( 0.409 -5.363 -3.147) 6.232 6.597 ( 0.409 5.363 -3.147) 6.232 6.734 ( 2.039 -5.805 -0.438) 6.168 6.734 ( 2.039 5.805 -0.438) 6.168 6.808 ( -2.288 -4.736 0.376) 5.273 6.808 ( -2.288 4.736 0.376) 5.273 6.908 ( -2.894 -3.338 -4.045) 5.990 6.908 ( -2.894 3.338 -4.045) 5.990 7.005 ( -2.500 -0.568 -2.692) 3.718 7.005 ( -2.500 0.568 -2.692) 3.718 7.067 ( -4.160 -0.535 -3.081) 5.204 7.067 ( -4.160 0.535 -3.081) 5.204 7.163 ( 0.603 -4.186 -5.858) 7.225 7.163 ( 0.603 4.186 -5.858) 7.225 7.316 ( -0.608 -8.016 -4.900) 9.415 7.316 ( -0.608 8.016 -4.900) 9.415 7.447 ( -1.293 -1.479 4.334) 4.758 7.447 ( -1.293 1.479 4.334) 4.758 7.601 ( -1.737 -3.067 7.582) 8.362 7.601 ( -1.737 3.067 7.582) 8.362 7.696 ( -0.283 -2.085 3.496) 4.080 7.696 ( -0.283 2.085 3.496) 4.080 7.779 ( 0.083 -1.821 2.790) 3.332 7.779 ( 0.083 1.821 2.790) 3.332 7.926 ( 3.605 -6.551 2.372) 7.845 7.926 ( 3.605 6.551 2.372) 7.845 8.086 ( 0.493 -3.033 -6.293) 7.003 8.086 ( 0.493 3.033 -6.293) 7.003 8.185 ( 0.551 -0.643 2.726) 2.855 8.185 ( 0.551 0.643 2.726) 2.855 8.299 ( -4.661 -9.463 2.270) 10.790 8.299 ( -4.661 9.463 2.270) 10.790 8.409 ( -0.509 -13.428 -3.478) 13.880 8.409 ( -0.509 13.428 -3.478) 13.880 8.555 ( 1.921 -2.376 -3.363) 4.544 8.555 ( 1.921 2.376 -3.363) 4.544 8.603 ( -0.172 -4.386 -6.541) 7.877 8.603 ( -0.172 4.386 -6.541) 7.877 8.682 ( 2.541 -6.999 -6.282) 9.742 8.682 ( 2.541 6.999 -6.282) 9.742 8.867 ( -1.321 -5.126 -7.146) 8.893 8.867 ( -1.321 5.126 -7.146) 8.893 9.052 ( 2.865 -5.888 -9.874) 11.848 9.052 ( 2.865 5.888 -9.874) 11.848 9.177 ( 3.728 -2.353 -1.595) 4.688 9.177 ( 3.728 2.353 -1.595) 4.688 9.372 ( 2.514 -2.050 1.174) 3.450 9.372 ( 2.514 2.050 1.174) 3.450 9.451 ( 0.556 -2.005 -0.005) 2.080 9.451 ( 0.556 2.005 -0.005) 2.080 9.850 ( 1.699 -1.688 -1.927) 3.074 9.850 ( 1.699 1.688 -1.927) 3.074 10.072 ( 4.940 -2.102 3.252) 6.277 10.072 ( 4.940 2.102 3.252) 6.277 10.315 ( 4.076 -8.005 -2.441) 9.309 10.315 ( 4.076 8.005 -2.441) 9.309 10.524 ( 4.916 -0.549 5.245) 7.209 10.524 ( 4.916 0.549 5.245) 7.209 10.748 ( 6.781 -2.726 -0.982) 7.374 10.748 ( 6.781 2.726 -0.982) 7.374 11.693 ( -1.264 -1.415 -0.064) 1.898 11.693 ( -1.264 1.415 -0.064) 1.898 11.979 ( 5.410 -4.333 0.121) 6.932 11.979 ( 5.410 4.333 0.121) 6.932 12.200 ( 0.543 -0.927 2.652) 2.861 12.200 ( 0.543 0.927 2.652) 2.861 12.313 ( -1.030 -8.902 -2.037) 9.190 12.313 ( -1.030 8.902 -2.037) 9.190 12.457 ( -5.421 -3.444 -5.632) 8.542 12.457 ( -5.421 3.444 -5.632) 8.542 12.526 ( 3.296 -1.842 -1.134) 3.943 12.526 ( 3.296 1.842 -1.134) 3.943 12.778 ( -11.691 -2.732 -4.486) 12.816 12.778 ( -11.691 2.732 -4.486) 12.816 13.035 ( -2.723 -1.736 -4.213) 5.308 13.035 ( -2.723 1.736 -4.213) 5.308 13.380 ( -4.679 -3.345 -4.789) 7.485 13.380 ( -4.679 3.345 -4.789) 7.485 14.427 ( -3.229 -4.206 -3.880) 6.571 14.427 ( -3.229 4.206 -3.880) 6.571 15.207 ( -3.914 -1.939 -4.002) 5.924 15.207 ( -3.914 1.939 -4.002) 5.924 15.923 ( -1.046 -3.497 -3.079) 4.775 15.923 ( -1.046 3.497 -3.079) 4.775 20.577 ( -1.611 -1.317 -0.237) 2.094 20.577 ( -1.611 1.317 -0.237) 2.094 20.675 ( -1.500 -2.390 -1.592) 3.240 20.675 ( -1.500 2.390 -1.592) 3.240 21.589 ( -2.174 -0.169 1.637) 2.726 21.589 ( -2.174 0.169 1.637) 2.726 21.739 ( -2.840 -0.788 0.104) 2.949 21.739 ( -2.840 0.788 0.104) 2.949 21.794 ( -4.089 -1.404 0.840) 4.404 21.794 ( -4.089 1.404 0.840) 4.404 22.319 ( -0.393 -0.255 4.460) 4.485 22.319 ( -0.393 0.255 4.460) 4.485 22.440 ( 1.054 -2.168 6.650) 7.073 22.440 ( 1.054 2.168 6.650) 7.073 22.569 ( 4.169 -2.303 1.762) 5.078 22.569 ( 4.169 2.303 1.762) 5.078 23.103 ( 1.579 -0.970 3.491) 3.952 23.103 ( 1.579 0.970 3.491) 3.952 23.709 ( 6.203 -5.325 -3.061) 8.729 23.709 ( 6.203 5.325 -3.061) 8.729 24.113 ( 2.352 -2.856 -7.636) 8.485 24.113 ( 2.352 2.856 -7.636) 8.485 24.737 ( 1.502 -4.927 -6.059) 7.953 24.737 ( 1.502 4.927 -6.059) 7.953 25.303 ( -2.286 -3.029 -2.804) 4.718 25.303 ( -2.286 3.029 -2.804) 4.718 ======================= Grid point 162 (93/104) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -11.359 0.000 -5.418) 12.585 0.879 ( 11.359 0.000 5.418) 12.585 0.953 ( -16.162 0.000 -2.383) 16.337 0.953 ( 16.162 0.000 2.383) 16.337 1.422 ( 0.775 0.000 -0.465) 0.903 1.422 ( -0.775 0.000 0.465) 0.904 2.111 ( 2.158 0.000 -5.384) 5.801 2.111 ( -2.158 0.000 5.384) 5.801 2.198 ( -4.896 0.000 -7.338) 8.821 2.198 ( 4.896 0.000 7.338) 8.821 2.370 ( -5.472 0.000 -5.788) 7.965 2.370 ( 5.472 0.000 5.788) 7.965 2.806 ( -2.488 0.000 0.377) 2.516 2.806 ( 2.488 0.000 -0.377) 2.516 3.044 ( 0.857 0.000 -2.536) 2.677 3.044 ( -0.857 0.000 2.536) 2.677 3.089 ( -10.485 0.000 -3.956) 11.207 3.089 ( 10.485 0.000 3.956) 11.207 3.265 ( -11.770 0.000 -1.611) 11.880 3.265 ( 11.770 0.000 1.611) 11.880 3.436 ( -7.158 0.000 -4.924) 8.688 3.436 ( 7.158 0.000 4.924) 8.688 3.530 ( 0.457 0.000 -0.385) 0.597 3.530 ( -0.457 0.000 0.385) 0.597 3.604 ( 0.326 0.000 -2.582) 2.602 3.604 ( -0.326 0.000 2.582) 2.602 3.745 ( -1.204 0.000 -4.226) 4.394 3.745 ( 1.204 0.000 4.226) 4.394 3.815 ( -2.084 0.000 -1.675) 2.673 3.815 ( 2.084 0.000 1.675) 2.673 3.867 ( -6.181 0.000 -9.620) 11.434 3.867 ( 6.181 0.000 9.620) 11.434 3.884 ( -0.792 0.000 -1.068) 1.330 3.884 ( 0.792 0.000 1.068) 1.330 4.085 ( -2.719 0.000 -3.214) 4.210 4.085 ( 2.719 0.000 3.215) 4.210 4.148 ( 0.107 0.000 -5.772) 5.773 4.148 ( -0.107 0.000 5.772) 5.773 4.316 ( -10.305 0.000 -3.800) 10.984 4.316 ( 10.305 0.000 3.800) 10.984 4.325 ( -5.752 0.000 -2.244) 6.175 4.325 ( 5.753 0.000 2.244) 6.175 4.556 ( 0.013 0.000 -2.622) 2.622 4.556 ( -0.013 0.000 2.622) 2.622 4.639 ( -1.159 0.000 0.192) 1.175 4.639 ( 1.159 0.000 -0.192) 1.175 4.829 ( 0.654 0.000 -1.334) 1.485 4.829 ( -0.654 0.000 1.334) 1.486 4.882 ( -3.264 0.000 -6.156) 6.968 4.882 ( 3.264 0.000 6.156) 6.968 5.135 ( -5.304 0.000 -2.537) 5.879 5.135 ( 5.304 0.000 2.537) 5.879 5.215 ( 4.354 0.000 -4.273) 6.100 5.215 ( -4.354 0.000 4.273) 6.100 5.307 ( 2.931 0.000 -2.729) 4.005 5.307 ( -2.931 0.000 2.729) 4.005 5.358 ( -2.695 0.000 -1.533) 3.100 5.358 ( 2.695 0.000 1.533) 3.100 5.456 ( 1.458 0.000 -6.737) 6.893 5.456 ( -1.458 0.000 6.737) 6.893 5.570 ( 1.334 0.000 -1.262) 1.836 5.570 ( -1.334 0.000 1.262) 1.836 5.656 ( -0.888 0.000 -5.420) 5.492 5.656 ( 0.888 0.000 5.420) 5.492 5.783 ( 0.755 0.000 -4.825) 4.884 5.783 ( -0.755 0.000 4.825) 4.884 5.916 ( -2.170 0.000 -11.409) 11.613 5.916 ( 2.170 0.000 11.409) 11.613 6.009 ( -1.030 0.000 -2.037) 2.283 6.009 ( 1.030 0.000 2.037) 2.283 6.174 ( 1.364 0.000 -2.059) 2.469 6.174 ( -1.364 0.000 2.059) 2.469 6.250 ( 0.346 0.000 -4.613) 4.625 6.250 ( -0.346 0.000 4.613) 4.625 6.365 ( 5.381 0.000 -2.768) 6.051 6.365 ( -5.381 0.000 2.768) 6.051 6.529 ( -5.610 0.000 -7.226) 9.148 6.529 ( 5.610 0.000 7.226) 9.148 6.586 ( 0.748 0.000 -1.629) 1.793 6.586 ( -0.748 0.000 1.629) 1.793 6.755 ( 3.111 0.000 -3.683) 4.821 6.755 ( -3.111 0.000 3.683) 4.821 6.854 ( 2.084 0.000 -3.233) 3.847 6.854 ( -2.084 0.000 3.233) 3.847 7.008 ( -2.730 0.000 0.039) 2.731 7.008 ( 2.730 0.000 -0.039) 2.731 7.021 ( 3.983 0.000 -9.297) 10.114 7.021 ( -3.983 0.000 9.297) 10.114 7.162 ( 1.418 0.000 -5.687) 5.861 7.162 ( -1.418 0.000 5.687) 5.861 7.307 ( 1.533 0.000 -8.358) 8.497 7.307 ( -1.533 0.000 8.358) 8.497 7.429 ( -3.272 0.000 -3.429) 4.739 7.429 ( 3.272 0.000 3.429) 4.739 7.616 ( -1.064 0.000 -4.097) 4.233 7.616 ( 1.064 0.000 4.097) 4.233 7.720 ( -0.042 0.000 -1.674) 1.674 7.720 ( 0.042 0.000 1.674) 1.674 7.791 ( -1.285 0.000 -3.958) 4.162 7.791 ( 1.285 0.000 3.958) 4.162 7.948 ( 2.084 0.000 -1.789) 2.747 7.948 ( -2.084 0.000 1.789) 2.747 8.025 ( -3.027 0.000 -1.488) 3.373 8.025 ( 3.027 0.000 1.488) 3.373 8.122 ( -0.308 0.000 -4.186) 4.198 8.122 ( 0.308 0.000 4.186) 4.198 8.174 ( -5.402 0.000 -7.165) 8.974 8.174 ( 5.402 0.000 7.165) 8.974 8.345 ( 0.245 0.000 -0.391) 0.462 8.345 ( -0.245 0.000 0.391) 0.462 8.504 ( -3.265 0.000 -1.410) 3.556 8.504 ( 3.265 0.000 1.410) 3.556 8.575 ( -0.973 0.000 -0.692) 1.194 8.575 ( 0.973 0.000 0.692) 1.194 8.591 ( -1.288 0.000 -2.474) 2.789 8.591 ( 1.288 0.000 2.474) 2.789 8.748 ( -5.085 0.000 0.309) 5.095 8.748 ( 5.085 0.000 -0.309) 5.095 8.899 ( 1.736 0.000 -1.007) 2.007 8.899 ( -1.736 0.000 1.007) 2.007 9.198 ( -1.365 0.000 -0.353) 1.410 9.198 ( 1.365 0.000 0.353) 1.410 9.406 ( -3.254 0.000 -0.573) 3.304 9.406 ( 3.254 0.000 0.573) 3.304 9.539 ( -2.046 0.000 -0.830) 2.208 9.539 ( 2.046 0.000 0.830) 2.208 9.857 ( 1.903 0.000 -2.163) 2.881 9.857 ( -1.903 0.000 2.163) 2.881 10.102 ( 1.581 0.000 -6.271) 6.468 10.102 ( -1.581 0.000 6.271) 6.468 10.321 ( -4.545 0.000 -3.640) 5.823 10.321 ( 4.545 0.000 3.640) 5.823 10.694 ( 2.495 0.000 -2.178) 3.312 10.694 ( -2.495 0.000 2.178) 3.312 10.750 ( -1.033 0.000 -1.352) 1.702 10.750 ( 1.033 0.000 1.352) 1.702 11.682 ( -0.373 0.000 -0.154) 0.404 11.682 ( 0.373 0.000 0.154) 0.404 12.079 ( -6.195 0.000 -0.255) 6.200 12.079 ( 6.195 0.000 0.255) 6.200 12.106 ( 2.836 0.000 -1.677) 3.295 12.106 ( -2.836 0.000 1.677) 3.295 12.332 ( -1.497 0.000 -0.782) 1.689 12.332 ( 1.497 0.000 0.782) 1.689 12.405 ( -6.804 0.000 -2.497) 7.247 12.405 ( 6.804 0.000 2.497) 7.247 12.483 ( 1.505 0.000 -2.621) 3.022 12.483 ( -1.505 0.000 2.621) 3.022 12.624 ( -5.763 0.000 -1.158) 5.878 12.624 ( 5.763 0.000 1.158) 5.878 12.948 ( -1.251 0.000 0.189) 1.265 12.948 ( 1.251 0.000 -0.189) 1.265 13.252 ( -1.700 0.000 -0.863) 1.906 13.252 ( 1.700 0.000 0.863) 1.906 14.341 ( 0.070 0.000 -1.864) 1.865 14.341 ( -0.070 0.000 1.864) 1.865 15.110 ( 0.411 0.000 -1.342) 1.403 15.110 ( -0.411 0.000 1.342) 1.403 15.865 ( -1.199 0.000 -0.856) 1.473 15.865 ( 1.199 0.000 0.856) 1.473 20.559 ( 0.157 0.000 -0.731) 0.747 20.559 ( -0.157 0.000 0.731) 0.747 20.635 ( -0.249 0.000 -1.043) 1.072 20.635 ( 0.249 0.000 1.043) 1.072 21.595 ( 0.957 0.000 -0.530) 1.094 21.595 ( -0.957 0.000 0.530) 1.094 21.722 ( -1.465 0.000 0.276) 1.491 21.722 ( 1.465 0.000 -0.276) 1.491 21.774 ( -0.773 0.000 -0.383) 0.863 21.774 ( 0.773 0.000 0.383) 0.863 22.380 ( 0.312 0.000 -0.312) 0.441 22.380 ( -0.312 0.000 0.312) 0.441 22.559 ( 2.602 0.000 -3.664) 4.494 22.559 ( -2.602 0.000 3.664) 4.494 22.636 ( 2.093 0.000 -3.304) 3.911 22.636 ( -2.093 0.000 3.304) 3.911 23.173 ( 0.195 0.000 -0.640) 0.670 23.173 ( -0.195 0.000 0.640) 0.670 23.688 ( 0.298 0.000 -1.974) 1.996 23.688 ( -0.298 0.000 1.974) 1.996 24.011 ( 1.532 0.000 -1.455) 2.113 24.011 ( -1.532 0.000 1.455) 2.113 24.655 ( -0.795 0.000 -1.833) 1.998 24.655 ( 0.795 0.000 1.833) 1.998 25.251 ( -0.761 0.000 -0.997) 1.254 25.251 ( 0.761 0.000 0.997) 1.254 ======================= Grid point 164 (94/104) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 13.526 0.000 4.183) 14.158 0.953 ( 20.559 0.000 1.922) 20.649 1.344 ( 28.479 0.000 7.785) 29.524 1.356 ( 23.930 0.000 0.352) 23.933 1.583 ( 16.156 0.000 3.748) 16.586 1.589 ( 14.704 0.000 4.029) 15.246 2.070 ( -0.996 0.000 -6.649) 6.724 2.120 ( -1.902 0.000 4.202) 4.613 2.158 ( 5.432 0.000 1.432) 5.618 2.304 ( 6.906 0.000 -5.282) 8.695 2.351 ( 3.556 0.000 4.168) 5.479 2.541 ( 9.532 0.000 2.487) 9.851 2.887 ( -1.745 0.000 -2.109) 2.738 2.891 ( 11.391 0.000 -1.158) 11.450 2.933 ( 2.562 0.000 -2.787) 3.786 3.032 ( -3.624 0.000 -1.311) 3.854 3.068 ( -5.695 0.000 0.843) 5.757 3.122 ( 12.810 0.000 -5.275) 13.853 3.257 ( -7.117 0.000 -0.096) 7.118 3.277 ( 3.721 0.000 3.297) 4.971 3.366 ( -1.903 0.000 -1.306) 2.308 3.492 ( -1.218 0.000 -2.100) 2.427 3.524 ( -0.779 0.000 -0.745) 1.078 3.542 ( 4.144 0.000 -6.053) 7.335 3.550 ( -2.457 0.000 -3.171) 4.011 3.603 ( 6.493 0.000 -2.294) 6.886 3.657 ( -1.903 0.000 -8.076) 8.297 3.663 ( -0.630 0.000 -8.255) 8.279 3.776 ( 0.590 0.000 -2.840) 2.900 3.798 ( 2.403 0.000 -6.142) 6.595 3.835 ( 1.014 0.000 -4.035) 4.160 3.931 ( 4.280 0.000 -5.527) 6.991 3.996 ( 9.786 0.000 5.029) 11.003 4.036 ( 9.148 0.000 3.073) 9.650 4.059 ( 3.306 0.000 -10.020) 10.551 4.080 ( -0.007 0.000 -4.082) 4.082 4.139 ( 3.117 0.000 1.472) 3.447 4.233 ( -0.341 0.000 2.022) 2.050 4.256 ( 3.437 0.000 0.000) 3.437 4.317 ( 9.782 0.000 1.434) 9.887 4.489 ( 5.963 0.000 3.341) 6.835 4.490 ( 5.322 0.000 2.369) 5.825 4.597 ( 1.131 0.000 -0.865) 1.424 4.635 ( -1.382 0.000 -1.570) 2.091 4.657 ( 13.150 0.000 1.275) 13.212 4.675 ( 4.541 0.000 -1.666) 4.837 4.816 ( 2.289 0.000 -3.964) 4.577 4.820 ( 1.223 0.000 -1.752) 2.137 4.853 ( 6.495 0.000 -0.212) 6.499 4.974 ( -0.997 0.000 4.512) 4.621 4.990 ( -6.477 0.000 -5.101) 8.245 5.121 ( -5.363 0.000 -1.738) 5.638 5.240 ( 2.654 0.000 2.944) 3.964 5.249 ( 3.055 0.000 0.293) 3.069 5.293 ( 0.080 0.000 3.059) 3.060 5.332 ( 4.073 0.000 -0.873) 4.166 5.379 ( 0.394 0.000 5.341) 5.355 5.425 ( 0.966 0.000 -4.895) 4.989 5.446 ( 1.972 0.000 0.508) 2.036 5.495 ( -2.909 0.000 2.958) 4.149 5.556 ( -0.115 0.000 -0.844) 0.852 5.587 ( 1.076 0.000 2.594) 2.808 5.608 ( 3.669 0.000 -1.503) 3.966 5.714 ( -1.417 0.000 9.147) 9.256 5.763 ( -6.409 0.000 -3.931) 7.519 5.780 ( 0.162 0.000 -4.416) 4.419 5.804 ( 3.440 0.000 -3.565) 4.954 5.892 ( -4.959 0.000 -13.532) 14.412 5.961 ( -3.225 0.000 -0.839) 3.333 6.023 ( -1.287 0.000 6.259) 6.390 6.032 ( -4.554 0.000 -10.407) 11.360 6.147 ( -0.175 0.000 7.644) 7.646 6.188 ( -6.816 0.000 -2.387) 7.222 6.232 ( -4.981 0.000 5.086) 7.119 6.268 ( -5.856 0.000 3.248) 6.696 6.389 ( -3.659 0.000 -1.463) 3.941 6.446 ( 2.286 0.000 1.359) 2.660 6.617 ( -2.764 0.000 4.950) 5.670 6.624 ( 0.512 0.000 4.675) 4.703 6.666 ( 1.463 0.000 2.873) 3.224 6.782 ( -2.196 0.000 4.982) 5.444 6.859 ( 6.559 0.000 5.240) 8.395 6.895 ( 4.292 0.000 -1.380) 4.508 6.910 ( 2.233 0.000 5.438) 5.879 6.974 ( 0.437 0.000 -5.646) 5.663 6.979 ( 3.756 0.000 0.359) 3.774 7.012 ( 4.343 0.000 -4.809) 6.480 7.031 ( -2.888 0.000 5.695) 6.386 7.134 ( -3.524 0.000 -2.222) 4.166 7.164 ( 2.490 0.000 -1.492) 2.902 7.244 ( 1.184 0.000 -6.934) 7.034 7.355 ( -2.755 0.000 10.336) 10.697 7.419 ( -0.281 0.000 -0.093) 0.296 7.564 ( -0.920 0.000 -3.044) 3.180 7.618 ( -2.688 0.000 -2.006) 3.354 7.622 ( 2.054 0.000 0.558) 2.129 7.701 ( 2.953 0.000 8.170) 8.687 7.750 ( -0.007 0.000 1.882) 1.882 7.784 ( 2.128 0.000 1.310) 2.499 7.811 ( 4.000 0.000 -4.090) 5.721 7.900 ( -1.620 0.000 -1.932) 2.521 7.967 ( 3.449 0.000 -3.105) 4.640 8.023 ( -2.671 0.000 -5.308) 5.942 8.053 ( 1.495 0.000 9.469) 9.586 8.057 ( 5.484 0.000 4.387) 7.023 8.203 ( -6.260 0.000 -1.719) 6.492 8.263 ( 4.323 0.000 8.982) 9.968 8.293 ( 8.622 0.000 7.782) 11.615 8.300 ( -4.480 0.000 -1.561) 4.744 8.322 ( -1.923 0.000 -0.309) 1.948 8.459 ( -1.325 0.000 2.759) 3.061 8.503 ( -3.379 0.000 -0.338) 3.396 8.569 ( -1.503 0.000 1.870) 2.400 8.604 ( 1.984 0.000 3.397) 3.934 8.624 ( 1.291 0.000 -1.586) 2.045 8.631 ( 0.454 0.000 2.766) 2.803 8.689 ( -1.428 0.000 4.059) 4.303 8.844 ( 4.061 0.000 1.268) 4.254 8.887 ( -2.612 0.000 6.055) 6.594 8.935 ( 0.725 0.000 4.113) 4.176 9.148 ( -3.626 0.000 -0.630) 3.680 9.189 ( -1.639 0.000 -2.152) 2.705 9.322 ( -5.254 0.000 -0.090) 5.255 9.430 ( 0.333 0.000 -2.033) 2.060 9.463 ( -4.551 0.000 -1.633) 4.835 9.525 ( -2.171 0.000 -4.059) 4.603 9.832 ( -3.434 0.000 2.574) 4.292 9.852 ( -0.371 0.000 -1.254) 1.307 10.072 ( 0.684 0.000 -4.084) 4.141 10.126 ( -3.442 0.000 5.164) 6.206 10.169 ( -8.410 0.000 -2.734) 8.843 10.373 ( -2.110 0.000 2.467) 3.247 10.569 ( -10.478 0.000 -0.766) 10.506 10.628 ( -4.156 0.000 -4.371) 6.031 10.717 ( -4.225 0.000 0.223) 4.231 10.751 ( -4.915 0.000 1.683) 5.195 11.690 ( 1.754 0.000 -0.189) 1.765 11.692 ( 0.365 0.000 -0.216) 0.424 11.952 ( -7.873 0.000 1.762) 8.068 12.029 ( -6.596 0.000 2.433) 7.030 12.184 ( 5.707 0.000 -0.948) 5.785 12.221 ( 3.253 0.000 -1.299) 3.503 12.237 ( -7.045 0.000 -0.852) 7.097 12.300 ( -3.294 0.000 5.523) 6.431 12.353 ( 2.071 0.000 1.328) 2.460 12.453 ( -4.636 0.000 4.669) 6.580 12.496 ( 2.121 0.000 -1.081) 2.380 12.551 ( 7.061 0.000 -0.289) 7.067 12.672 ( 12.465 0.000 0.110) 12.466 12.754 ( 8.531 0.000 -1.432) 8.651 12.968 ( 2.533 0.000 2.135) 3.312 13.000 ( 4.204 0.000 1.480) 4.457 13.263 ( 1.743 0.000 3.013) 3.481 13.325 ( 3.609 0.000 4.094) 5.458 14.357 ( 2.939 0.000 0.045) 2.939 14.387 ( 2.338 0.000 3.503) 4.212 15.148 ( 4.578 0.000 0.406) 4.596 15.157 ( 3.398 0.000 2.768) 4.383 15.853 ( 0.061 0.000 0.309) 0.315 15.908 ( 2.163 0.000 1.956) 2.916 20.568 ( 1.268 0.000 -0.173) 1.280 20.578 ( 1.130 0.000 1.344) 1.756 20.633 ( 0.680 0.000 -0.162) 0.699 20.662 ( 1.201 0.000 1.870) 2.222 21.601 ( 1.218 0.000 0.086) 1.221 21.619 ( 2.602 0.000 -1.035) 2.801 21.725 ( 1.166 0.000 0.622) 1.321 21.771 ( 4.405 0.000 0.093) 4.406 21.776 ( 1.516 0.000 -0.394) 1.567 21.812 ( 3.356 0.000 0.393) 3.379 22.377 ( 0.385 0.000 -1.175) 1.236 22.381 ( 0.973 0.000 -1.994) 2.219 22.529 ( -3.483 0.000 1.153) 3.669 22.544 ( 1.399 0.000 -6.393) 6.544 22.605 ( -3.548 0.000 0.373) 3.568 22.611 ( 0.460 0.000 -6.375) 6.392 23.150 ( -1.053 0.000 -2.425) 2.644 23.155 ( -1.463 0.000 -1.267) 1.936 23.649 ( -3.456 0.000 -0.694) 3.524 23.674 ( -4.476 0.000 3.184) 5.493 24.006 ( -1.897 0.000 3.661) 4.124 24.028 ( 1.038 0.000 0.432) 1.124 24.631 ( -1.054 0.000 0.213) 1.075 24.689 ( 0.094 0.000 3.547) 3.548 25.248 ( 1.115 0.000 -0.024) 1.115 25.289 ( 2.253 0.000 1.670) 2.805 ======================= Grid point 165 (95/104) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 24.378 0.000 12.226) 27.272 1.397 ( 23.838 0.000 4.044) 24.179 1.719 ( 17.335 0.000 2.375) 17.497 1.828 ( 14.957 0.000 3.130) 15.281 1.841 ( 10.526 0.000 4.265) 11.357 1.947 ( 18.521 0.000 4.848) 19.145 1.969 ( 3.410 0.000 -6.964) 7.754 2.185 ( 0.902 0.000 9.562) 9.604 2.383 ( 14.184 0.000 7.522) 16.055 2.385 ( -0.353 0.000 3.574) 3.591 2.544 ( 21.648 0.000 -0.037) 21.648 2.719 ( 9.469 0.000 0.342) 9.476 2.872 ( -5.852 0.000 -7.889) 9.823 2.874 ( 1.750 0.000 -3.441) 3.860 2.946 ( 7.917 0.000 -2.563) 8.322 3.067 ( 1.517 0.000 2.845) 3.224 3.098 ( 11.494 0.000 -7.152) 13.537 3.176 ( -3.654 0.000 -2.919) 4.676 3.195 ( -0.609 0.000 1.485) 1.605 3.327 ( -1.302 0.000 -9.201) 9.293 3.350 ( 2.179 0.000 -5.289) 5.721 3.451 ( 0.202 0.000 -3.720) 3.726 3.464 ( 5.909 0.000 -4.909) 7.681 3.518 ( 5.089 0.000 -15.154) 15.986 3.552 ( 9.531 0.000 -1.058) 9.590 3.629 ( 3.222 0.000 2.377) 4.004 3.644 ( 6.452 0.000 -10.021) 11.918 3.709 ( 8.440 0.000 -8.387) 11.899 3.760 ( 7.254 0.000 -4.456) 8.513 3.830 ( 7.670 0.000 -4.655) 8.972 3.932 ( 1.977 0.000 -5.118) 5.486 3.942 ( 5.764 0.000 3.245) 6.614 3.982 ( 1.973 0.000 -12.798) 12.950 4.040 ( 1.784 0.000 -4.444) 4.789 4.162 ( 1.044 0.000 -0.905) 1.382 4.204 ( 8.177 0.000 -2.269) 8.486 4.251 ( 12.240 0.000 1.682) 12.355 4.270 ( 2.413 0.000 -0.815) 2.547 4.313 ( 5.136 0.000 4.576) 6.879 4.394 ( -6.319 0.000 -5.514) 8.386 4.495 ( 0.090 0.000 0.183) 0.203 4.642 ( 7.888 0.000 -5.284) 9.494 4.653 ( 8.244 0.000 -3.365) 8.905 4.657 ( 10.216 0.000 -0.317) 10.221 4.736 ( 4.735 0.000 0.747) 4.793 4.789 ( -4.939 0.000 -6.211) 7.936 4.838 ( 0.612 0.000 -0.436) 0.751 4.888 ( 8.755 0.000 -4.300) 9.754 4.901 ( 6.811 0.000 -0.855) 6.865 4.926 ( 0.995 0.000 -1.896) 2.141 5.024 ( 1.335 0.000 5.477) 5.637 5.124 ( 5.590 0.000 4.022) 6.887 5.227 ( 0.254 0.000 -5.208) 5.215 5.240 ( -2.561 0.000 0.906) 2.717 5.332 ( -1.741 0.000 -2.732) 3.240 5.349 ( 2.836 0.000 4.717) 5.504 5.425 ( 7.368 0.000 -1.500) 7.519 5.431 ( -5.986 0.000 0.525) 6.008 5.492 ( -6.287 0.000 0.196) 6.290 5.525 ( 0.998 0.000 -1.657) 1.934 5.580 ( 4.060 0.000 1.603) 4.365 5.586 ( 5.700 0.000 1.625) 5.927 5.648 ( 2.504 0.000 3.105) 3.989 5.688 ( 1.472 0.000 0.790) 1.671 5.764 ( 2.988 0.000 -2.854) 4.132 5.769 ( -2.966 0.000 -3.529) 4.610 5.793 ( 0.933 0.000 9.373) 9.419 5.806 ( -0.978 0.000 -7.623) 7.685 5.916 ( 4.776 0.000 4.221) 6.374 5.989 ( -5.998 0.000 2.581) 6.530 6.014 ( 0.965 0.000 7.857) 7.916 6.108 ( 0.709 0.000 2.371) 2.475 6.191 ( -2.278 0.000 6.284) 6.684 6.259 ( -3.364 0.000 8.297) 8.953 6.266 ( 1.399 0.000 8.958) 9.067 6.322 ( -3.551 0.000 2.024) 4.087 6.444 ( -6.388 0.000 2.949) 7.036 6.627 ( -6.503 0.000 3.411) 7.343 6.631 ( 2.582 0.000 2.894) 3.878 6.680 ( 1.862 0.000 1.179) 2.204 6.748 ( -3.348 0.000 1.628) 3.723 6.919 ( -0.696 0.000 -0.687) 0.978 6.961 ( -0.979 0.000 3.958) 4.077 6.969 ( 3.363 0.000 0.213) 3.369 7.022 ( 1.870 0.000 -1.639) 2.487 7.047 ( 2.405 0.000 3.795) 4.492 7.073 ( 1.504 0.000 6.403) 6.578 7.077 ( 1.286 0.000 -1.111) 1.700 7.119 ( 4.145 0.000 1.994) 4.600 7.202 ( 2.123 0.000 1.419) 2.553 7.223 ( 0.533 0.000 -5.019) 5.047 7.364 ( -4.269 0.000 1.501) 4.525 7.412 ( 2.609 0.000 1.961) 3.264 7.491 ( 0.353 0.000 1.534) 1.575 7.589 ( 0.219 0.000 1.932) 1.944 7.636 ( 2.350 0.000 -2.177) 3.203 7.739 ( 1.112 0.000 -3.262) 3.446 7.792 ( 5.135 0.000 -7.513) 9.100 7.820 ( 1.635 0.000 -2.756) 3.205 7.834 ( -0.899 0.000 -4.578) 4.666 7.885 ( 0.860 0.000 -1.062) 1.367 8.000 ( -1.378 0.000 -1.200) 1.827 8.012 ( 0.374 0.000 3.068) 3.091 8.056 ( -4.494 0.000 -0.606) 4.535 8.165 ( -3.246 0.000 -4.105) 5.233 8.169 ( 0.734 0.000 6.540) 6.581 8.250 ( -2.482 0.000 -2.151) 3.284 8.254 ( 3.483 0.000 8.584) 9.264 8.410 ( -5.484 0.000 -2.307) 5.949 8.415 ( -1.550 0.000 13.795) 13.881 8.430 ( -4.154 0.000 6.367) 7.603 8.508 ( 4.203 0.000 0.944) 4.308 8.545 ( -4.157 0.000 -0.950) 4.264 8.566 ( -0.001 0.000 -0.640) 0.640 8.620 ( -3.722 0.000 4.514) 5.851 8.679 ( 0.029 0.000 3.311) 3.311 8.806 ( 6.174 0.000 5.564) 8.311 8.835 ( -3.467 0.000 3.374) 4.838 8.945 ( -1.206 0.000 2.206) 2.514 8.985 ( -1.437 0.000 6.894) 7.042 9.090 ( -3.409 0.000 2.354) 4.143 9.132 ( -1.280 0.000 -1.270) 1.803 9.258 ( -4.015 0.000 3.083) 5.062 9.327 ( -6.492 0.000 -3.315) 7.290 9.404 ( -4.702 0.000 -6.643) 8.138 9.448 ( 0.546 0.000 2.682) 2.737 9.799 ( -3.366 0.000 2.135) 3.986 9.828 ( -1.325 0.000 -0.720) 1.508 9.973 ( -8.042 0.000 -3.288) 8.688 10.034 ( -2.023 0.000 -2.586) 3.283 10.118 ( -5.169 0.000 4.061) 6.573 10.304 ( -7.100 0.000 0.893) 7.156 10.376 ( -11.256 0.000 0.725) 11.279 10.500 ( -5.718 0.000 -4.827) 7.483 10.601 ( -8.269 0.000 -2.119) 8.536 10.606 ( -11.811 0.000 -1.395) 11.894 11.681 ( -2.032 0.000 -0.047) 2.033 11.727 ( 1.742 0.000 -0.026) 1.742 11.831 ( -8.603 0.000 1.171) 8.682 11.880 ( -11.954 0.000 -0.626) 11.970 12.117 ( -3.145 0.000 -1.752) 3.600 12.148 ( -6.118 0.000 4.018) 7.320 12.318 ( 8.291 0.000 1.760) 8.475 12.413 ( 2.438 0.000 2.517) 3.504 12.438 ( 3.787 0.000 2.230) 4.394 12.464 ( 5.218 0.000 4.342) 6.789 12.540 ( 4.047 0.000 1.332) 4.260 12.664 ( 5.552 0.000 0.797) 5.609 12.900 ( 9.448 0.000 1.486) 9.565 12.929 ( 14.099 0.000 3.936) 14.638 13.073 ( 6.376 0.000 3.626) 7.335 13.124 ( 7.993 0.000 2.881) 8.497 13.354 ( 3.770 0.000 5.589) 6.742 13.435 ( 3.424 0.000 6.116) 7.009 14.438 ( 5.380 0.000 1.768) 5.663 14.479 ( 3.803 0.000 4.376) 5.797 15.258 ( 6.637 0.000 1.780) 6.872 15.263 ( 5.138 0.000 3.632) 6.292 15.871 ( 1.128 0.000 1.270) 1.699 15.967 ( 2.010 0.000 2.661) 3.335 20.596 ( 1.932 0.000 0.203) 1.943 20.620 ( 1.978 0.000 1.661) 2.583 20.653 ( 1.417 0.000 0.530) 1.513 20.707 ( 1.724 0.000 2.270) 2.850 21.633 ( 2.564 0.000 -0.404) 2.595 21.658 ( 3.264 0.000 -1.385) 3.546 21.766 ( 2.700 0.000 0.971) 2.869 21.817 ( 3.354 0.000 0.219) 3.361 21.867 ( 6.478 0.000 0.309) 6.485 21.892 ( 5.487 0.000 0.472) 5.507 22.370 ( 0.858 0.000 -2.678) 2.812 22.373 ( 1.386 0.000 -3.984) 4.218 22.471 ( -3.741 0.000 -0.200) 3.746 22.485 ( 0.057 0.000 -8.491) 8.492 22.531 ( -4.421 0.000 -1.362) 4.626 22.534 ( -1.042 0.000 -8.581) 8.644 23.098 ( -1.673 0.000 -3.121) 3.541 23.106 ( -2.135 0.000 -2.305) 3.142 23.561 ( -6.031 0.000 -0.829) 6.088 23.597 ( -7.749 0.000 2.369) 8.103 24.014 ( -2.257 0.000 4.980) 5.467 24.049 ( 0.330 0.000 1.241) 1.284 24.624 ( -0.836 0.000 1.618) 1.821 24.720 ( -1.011 0.000 4.216) 4.335 25.289 ( 2.703 0.000 1.633) 3.158 25.354 ( 2.889 0.000 2.468) 3.800 ======================= Grid point 166 (96/104) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 13.800 0.000 -1.339) 13.865 1.761 ( -0.104 0.000 -6.168) 6.169 1.833 ( 11.598 0.000 12.183) 16.821 1.991 ( 7.449 0.000 10.491) 12.867 2.073 ( 7.589 0.000 6.217) 9.810 2.174 ( 10.572 0.000 7.175) 12.777 2.292 ( 15.076 0.000 4.524) 15.740 2.294 ( 4.849 0.000 6.568) 8.164 2.436 ( 1.443 0.000 2.113) 2.559 2.580 ( 0.957 0.000 1.582) 1.849 2.730 ( -3.885 0.000 4.073) 5.629 2.809 ( -2.355 0.000 1.196) 2.642 2.893 ( 10.795 0.000 -7.352) 13.061 2.957 ( 9.911 0.000 -4.159) 10.748 3.048 ( 5.780 0.000 -2.060) 6.136 3.092 ( 9.103 0.000 -1.110) 9.170 3.154 ( 7.263 0.000 -5.358) 9.025 3.196 ( 6.181 0.000 -11.553) 13.103 3.224 ( 3.335 0.000 2.582) 4.217 3.307 ( 4.285 0.000 -0.224) 4.291 3.358 ( 15.290 0.000 -11.412) 19.079 3.456 ( -1.265 0.000 -0.633) 1.414 3.457 ( 4.697 0.000 -0.810) 4.767 3.521 ( 8.993 0.000 -15.020) 17.506 3.626 ( 3.687 0.000 -8.888) 9.623 3.639 ( 1.834 0.000 -4.431) 4.796 3.712 ( 3.976 0.000 -7.585) 8.564 3.810 ( 18.827 0.000 -10.663) 21.637 3.859 ( 3.733 0.000 -5.183) 6.387 3.935 ( 4.725 0.000 -2.008) 5.134 3.956 ( 6.301 0.000 -2.156) 6.659 3.958 ( 13.868 0.000 1.078) 13.910 4.064 ( 1.321 0.000 -2.324) 2.674 4.070 ( 4.527 0.000 -4.926) 6.690 4.193 ( -1.071 0.000 -9.518) 9.578 4.202 ( 8.338 0.000 -4.573) 9.509 4.277 ( 3.203 0.000 0.393) 3.227 4.327 ( 4.374 0.000 -1.438) 4.604 4.329 ( -3.511 0.000 0.181) 3.516 4.454 ( 5.489 0.000 -3.536) 6.530 4.540 ( 6.462 0.000 -1.582) 6.653 4.614 ( -5.192 0.000 -11.616) 12.723 4.701 ( 4.159 0.000 -4.090) 5.833 4.712 ( 3.062 0.000 0.634) 3.127 4.778 ( 8.566 0.000 -1.617) 8.718 4.804 ( -2.182 0.000 0.344) 2.209 4.917 ( 6.693 0.000 2.153) 7.031 4.945 ( -4.660 0.000 2.321) 5.206 4.979 ( 6.347 0.000 3.914) 7.457 4.984 ( 8.801 0.000 -0.313) 8.806 5.029 ( -6.784 0.000 -4.199) 7.978 5.082 ( 1.319 0.000 0.678) 1.483 5.271 ( -7.034 0.000 -2.169) 7.361 5.288 ( -4.817 0.000 1.134) 4.949 5.357 ( 5.194 0.000 -0.049) 5.194 5.358 ( -5.032 0.000 -0.836) 5.101 5.377 ( -2.253 0.000 3.399) 4.078 5.443 ( 5.198 0.000 8.783) 10.206 5.472 ( 0.532 0.000 -4.254) 4.287 5.587 ( 2.045 0.000 2.459) 3.199 5.619 ( -0.017 0.000 -2.535) 2.535 5.634 ( -2.544 0.000 10.046) 10.363 5.641 ( -3.301 0.000 -0.911) 3.424 5.760 ( 2.849 0.000 0.481) 2.890 5.766 ( 10.135 0.000 2.600) 10.463 5.788 ( 8.633 0.000 2.478) 8.982 5.884 ( 5.176 0.000 3.004) 5.984 5.893 ( 9.648 0.000 -2.648) 10.004 5.982 ( 2.161 0.000 7.565) 7.867 6.132 ( 5.804 0.000 8.658) 10.423 6.140 ( 5.054 0.000 10.531) 11.681 6.171 ( -4.754 0.000 -0.156) 4.756 6.218 ( 3.706 0.000 4.772) 6.042 6.334 ( 2.909 0.000 7.878) 8.398 6.385 ( 8.589 0.000 2.014) 8.822 6.405 ( 3.702 0.000 9.494) 10.190 6.413 ( 2.992 0.000 7.294) 7.884 6.575 ( -3.423 0.000 6.550) 7.391 6.627 ( -5.773 0.000 4.384) 7.249 6.720 ( 1.382 0.000 0.857) 1.626 6.793 ( 5.388 0.000 -1.439) 5.577 6.843 ( -6.871 0.000 0.817) 6.919 6.964 ( -4.175 0.000 -0.994) 4.292 6.996 ( 2.581 0.000 0.499) 2.629 7.054 ( -0.719 0.000 -1.325) 1.508 7.057 ( -3.778 0.000 0.619) 3.828 7.085 ( 2.925 0.000 -0.751) 3.019 7.133 ( 1.749 0.000 4.070) 4.430 7.149 ( 0.386 0.000 -0.148) 0.414 7.192 ( 3.909 0.000 -2.025) 4.403 7.251 ( -2.447 0.000 6.434) 6.884 7.384 ( 3.234 0.000 2.285) 3.960 7.459 ( -1.327 0.000 0.825) 1.562 7.584 ( -1.111 0.000 -6.478) 6.573 7.622 ( 1.549 0.000 3.340) 3.682 7.622 ( 0.665 0.000 1.483) 1.625 7.706 ( -1.334 0.000 -2.201) 2.574 7.706 ( -1.739 0.000 -3.575) 3.976 7.812 ( -5.526 0.000 -5.675) 7.921 7.821 ( 1.739 0.000 -2.605) 3.132 7.897 ( 0.586 0.000 -0.395) 0.706 7.914 ( 1.034 0.000 0.567) 1.179 7.960 ( -4.711 0.000 -4.025) 6.196 7.966 ( -2.464 0.000 -5.019) 5.592 8.143 ( 0.394 0.000 1.904) 1.944 8.216 ( -1.708 0.000 4.022) 4.370 8.247 ( -7.430 0.000 -2.345) 7.791 8.248 ( 0.666 0.000 0.413) 0.784 8.287 ( -9.279 0.000 -3.497) 9.917 8.385 ( 1.669 0.000 6.288) 6.505 8.422 ( -7.854 0.000 1.357) 7.971 8.493 ( -1.643 0.000 -2.001) 2.589 8.504 ( -2.062 0.000 3.808) 4.330 8.580 ( 0.328 0.000 -2.588) 2.608 8.619 ( -2.970 0.000 1.503) 3.329 8.719 ( -0.696 0.000 8.797) 8.824 8.808 ( -3.519 0.000 0.612) 3.572 8.883 ( -0.288 0.000 -0.528) 0.601 8.896 ( -2.469 0.000 -0.635) 2.549 9.071 ( -3.748 0.000 7.403) 8.298 9.071 ( 4.354 0.000 4.203) 6.052 9.113 ( -4.653 0.000 7.608) 8.918 9.199 ( -4.208 0.000 -4.199) 5.945 9.202 ( -4.242 0.000 -3.101) 5.254 9.344 ( 1.397 0.000 3.305) 3.588 9.492 ( -1.384 0.000 5.242) 5.422 9.761 ( -1.526 0.000 0.620) 1.648 9.790 ( -1.781 0.000 -1.914) 2.615 9.862 ( -3.891 0.000 0.297) 3.903 9.947 ( -5.587 0.000 -1.194) 5.713 10.041 ( -6.063 0.000 1.042) 6.152 10.192 ( -5.646 0.000 -0.592) 5.677 10.231 ( -7.680 0.000 2.304) 8.018 10.329 ( -9.819 0.000 -6.054) 11.536 10.379 ( -9.516 0.000 -3.754) 10.230 10.415 ( -9.665 0.000 -4.249) 10.558 11.588 ( -8.344 0.000 -0.468) 8.357 11.650 ( -11.507 0.000 -1.929) 11.667 11.708 ( -5.606 0.000 -2.086) 5.982 11.712 ( -4.424 0.000 -1.732) 4.751 12.107 ( 2.565 0.000 0.331) 2.586 12.142 ( -0.182 0.000 6.115) 6.118 12.464 ( 5.781 0.000 -0.861) 5.844 12.478 ( 2.504 0.000 4.092) 4.797 12.513 ( 3.943 0.000 5.222) 6.543 12.598 ( 4.496 0.000 1.332) 4.689 12.672 ( 7.343 0.000 3.839) 8.286 12.768 ( 5.383 0.000 3.289) 6.308 13.098 ( 9.877 0.000 4.970) 11.057 13.184 ( 10.807 0.000 3.784) 11.451 13.228 ( 6.398 0.000 4.483) 7.812 13.290 ( 7.150 0.000 3.144) 7.810 13.488 ( 5.224 0.000 6.410) 8.269 13.561 ( 4.464 0.000 6.652) 8.011 14.556 ( 5.698 0.000 2.444) 6.200 14.586 ( 3.752 0.000 4.168) 5.608 15.384 ( 4.626 0.000 3.685) 5.914 15.386 ( 5.929 0.000 1.975) 6.249 15.911 ( 1.876 0.000 1.654) 2.501 16.016 ( 0.557 0.000 2.506) 2.567 20.634 ( 2.210 0.000 0.503) 2.267 20.669 ( 1.945 0.000 1.405) 2.399 20.689 ( 1.942 0.000 0.976) 2.173 20.755 ( 1.359 0.000 1.918) 2.350 21.673 ( 2.874 0.000 -0.727) 2.964 21.701 ( 3.292 0.000 -1.228) 3.514 21.835 ( 3.590 0.000 2.262) 4.243 21.886 ( 3.558 0.000 1.533) 3.874 21.983 ( 6.771 0.000 -0.121) 6.772 21.995 ( 6.032 0.000 0.122) 6.033 22.349 ( 1.377 0.000 -5.861) 6.021 22.351 ( 0.777 0.000 -4.173) 4.244 22.389 ( -1.233 0.000 -9.055) 9.138 22.408 ( -3.469 0.000 -0.064) 3.470 22.422 ( -1.985 0.000 -8.688) 8.912 22.442 ( -4.465 0.000 -1.020) 4.581 23.043 ( -1.541 0.000 -2.576) 3.002 23.048 ( -2.003 0.000 -2.184) 2.963 23.442 ( -6.222 0.000 -1.487) 6.397 23.472 ( -8.028 0.000 0.407) 8.039 24.023 ( -2.159 0.000 4.671) 5.146 24.060 ( -0.300 0.000 0.883) 0.933 24.633 ( -0.065 0.000 1.891) 1.893 24.731 ( -2.142 0.000 3.665) 4.245 25.361 ( 3.030 0.000 2.891) 4.188 25.424 ( 2.215 0.000 2.708) 3.499 ======================= Grid point 167 (97/104) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 2.556 0.000 -4.352) 5.047 1.825 ( -5.041 0.000 3.389) 6.074 2.046 ( 2.544 0.000 10.807) 11.102 2.080 ( 7.383 0.000 1.284) 7.494 2.307 ( 8.332 0.000 2.823) 8.797 2.402 ( 1.479 0.000 2.077) 2.550 2.437 ( 0.753 0.000 2.177) 2.303 2.440 ( 2.023 0.000 1.833) 2.730 2.521 ( 5.274 0.000 4.551) 6.966 2.548 ( 1.084 0.000 -0.460) 1.178 2.688 ( -1.909 0.000 -0.202) 1.919 2.764 ( -0.801 0.000 0.185) 0.822 2.940 ( 3.179 0.000 -0.638) 3.243 2.989 ( -1.033 0.000 -0.488) 1.143 3.052 ( 0.056 0.000 -3.663) 3.664 3.174 ( 2.683 0.000 -11.681) 11.985 3.190 ( 7.210 0.000 -5.700) 9.191 3.270 ( 9.231 0.000 0.423) 9.241 3.335 ( 1.969 0.000 6.843) 7.120 3.346 ( -2.053 0.000 -8.586) 8.828 3.479 ( 7.550 0.000 -0.141) 7.551 3.527 ( 4.182 0.000 0.765) 4.252 3.557 ( 11.280 0.000 4.350) 12.089 3.619 ( 6.709 0.000 -10.581) 12.529 3.624 ( 2.891 0.000 -2.537) 3.846 3.675 ( 12.053 0.000 -2.572) 12.325 3.848 ( 10.583 0.000 0.772) 10.611 3.855 ( -6.061 0.000 -6.778) 9.092 3.932 ( 7.966 0.000 -4.162) 8.987 3.945 ( 9.198 0.000 -5.415) 10.673 4.001 ( -2.977 0.000 -3.075) 4.280 4.069 ( 9.272 0.000 -4.841) 10.460 4.109 ( 6.333 0.000 -0.609) 6.362 4.136 ( -6.032 0.000 -7.038) 9.269 4.155 ( 1.546 0.000 -6.113) 6.306 4.261 ( -1.246 0.000 -2.331) 2.644 4.269 ( 3.308 0.000 -4.409) 5.511 4.290 ( 18.103 0.000 4.392) 18.628 4.474 ( 2.291 0.000 -2.218) 3.189 4.515 ( 3.798 0.000 -2.461) 4.526 4.561 ( -2.936 0.000 -1.964) 3.532 4.602 ( 15.849 0.000 4.096) 16.370 4.688 ( -3.393 0.000 -3.220) 4.678 4.689 ( -3.437 0.000 -3.764) 5.097 4.837 ( 2.947 0.000 -1.194) 3.180 4.855 ( -6.305 0.000 -2.096) 6.644 4.865 ( 0.663 0.000 2.176) 2.275 4.926 ( 4.133 0.000 7.020) 8.146 4.969 ( -4.630 0.000 0.226) 4.636 5.018 ( -7.141 0.000 -1.514) 7.300 5.102 ( 0.099 0.000 -0.999) 1.004 5.103 ( 0.237 0.000 -0.909) 0.940 5.182 ( -7.427 0.000 0.379) 7.437 5.193 ( -7.741 0.000 -1.020) 7.808 5.246 ( 1.403 0.000 3.932) 4.175 5.338 ( 1.593 0.000 0.975) 1.868 5.407 ( -0.959 0.000 2.444) 2.625 5.422 ( -6.563 0.000 0.255) 6.568 5.435 ( -2.146 0.000 -2.020) 2.947 5.584 ( -1.992 0.000 -0.875) 2.176 5.639 ( 3.211 0.000 -3.244) 4.565 5.693 ( -2.470 0.000 4.338) 4.992 5.703 ( 12.744 0.000 1.174) 12.798 5.852 ( 9.075 0.000 5.636) 10.683 5.913 ( 2.180 0.000 3.716) 4.308 5.988 ( 3.374 0.000 2.682) 4.310 6.035 ( -5.098 0.000 0.380) 5.112 6.105 ( 8.621 0.000 1.503) 8.751 6.120 ( 11.004 0.000 6.093) 12.579 6.196 ( -1.193 0.000 0.053) 1.194 6.257 ( 14.672 0.000 10.559) 18.076 6.275 ( 10.348 0.000 1.701) 10.487 6.367 ( 3.891 0.000 8.118) 9.003 6.437 ( 3.743 0.000 0.777) 3.823 6.514 ( -0.623 0.000 11.484) 11.501 6.558 ( 10.580 0.000 2.814) 10.947 6.611 ( -1.571 0.000 4.025) 4.320 6.611 ( -0.520 0.000 6.962) 6.981 6.691 ( 12.048 0.000 5.082) 13.076 6.750 ( -3.745 0.000 -4.440) 5.809 6.763 ( -0.294 0.000 3.209) 3.222 6.796 ( 1.596 0.000 3.168) 3.547 6.904 ( -1.948 0.000 -0.440) 1.997 6.938 ( -5.719 0.000 -4.478) 7.263 7.006 ( -5.066 0.000 0.455) 5.086 7.070 ( 2.276 0.000 -0.868) 2.435 7.101 ( -0.568 0.000 -1.028) 1.175 7.163 ( -1.478 0.000 -0.630) 1.607 7.189 ( 3.273 0.000 0.668) 3.341 7.242 ( -3.634 0.000 0.459) 3.663 7.255 ( 1.550 0.000 -0.315) 1.581 7.360 ( -5.045 0.000 -0.720) 5.096 7.445 ( -1.070 0.000 3.853) 3.999 7.455 ( -0.964 0.000 -8.049) 8.107 7.551 ( -5.320 0.000 -1.584) 5.551 7.620 ( 1.133 0.000 -3.477) 3.657 7.650 ( -1.168 0.000 -3.035) 3.253 7.688 ( -3.644 0.000 2.107) 4.209 7.740 ( -0.428 0.000 -1.632) 1.688 7.755 ( -9.554 0.000 -2.017) 9.765 7.812 ( -0.105 0.000 -1.952) 1.955 7.887 ( -1.174 0.000 -4.000) 4.169 7.942 ( 1.484 0.000 -1.311) 1.980 7.981 ( 1.146 0.000 1.437) 1.838 8.122 ( -2.214 0.000 -3.279) 3.956 8.148 ( -3.001 0.000 0.403) 3.028 8.150 ( -7.539 0.000 0.543) 7.558 8.193 ( -0.241 0.000 3.383) 3.391 8.235 ( -5.561 0.000 0.159) 5.563 8.257 ( -3.277 0.000 -2.543) 4.148 8.472 ( 2.791 0.000 2.395) 3.678 8.503 ( 0.002 0.000 0.826) 0.826 8.515 ( -3.134 0.000 3.373) 4.604 8.535 ( 0.072 0.000 -0.591) 0.595 8.537 ( -3.931 0.000 -0.830) 4.018 8.724 ( -4.290 0.000 -2.558) 4.995 8.813 ( 2.870 0.000 6.186) 6.819 8.874 ( 1.236 0.000 -0.496) 1.332 8.912 ( 4.209 0.000 -0.019) 4.209 9.054 ( -5.500 0.000 2.953) 6.242 9.059 ( -6.437 0.000 4.455) 7.829 9.103 ( -1.452 0.000 -4.785) 5.001 9.144 ( 1.890 0.000 -0.442) 1.941 9.202 ( 0.185 0.000 5.460) 5.463 9.416 ( 2.056 0.000 2.698) 3.392 9.486 ( -3.374 0.000 3.303) 4.722 9.741 ( -0.875 0.000 -2.621) 2.763 9.767 ( -0.573 0.000 0.145) 0.591 9.829 ( -1.403 0.000 3.893) 4.138 9.869 ( -2.056 0.000 0.312) 2.080 9.967 ( -3.069 0.000 0.447) 3.101 10.075 ( -7.009 0.000 -4.902) 8.553 10.135 ( -4.786 0.000 -1.565) 5.035 10.151 ( -4.592 0.000 1.775) 4.923 10.219 ( -7.320 0.000 -4.641) 8.667 10.223 ( -4.832 0.000 -4.424) 6.551 11.452 ( -6.010 0.000 -0.519) 6.033 11.468 ( -6.681 0.000 -2.467) 7.122 11.589 ( -4.817 0.000 -2.837) 5.590 11.600 ( -5.852 0.000 -1.246) 5.983 12.180 ( 4.557 0.000 0.242) 4.563 12.215 ( 0.754 0.000 5.084) 5.140 12.520 ( 3.676 0.000 -1.651) 4.029 12.547 ( 0.267 0.000 3.818) 3.827 12.635 ( 2.775 0.000 4.930) 5.657 12.652 ( 2.936 0.000 -0.743) 3.029 12.823 ( 5.988 0.000 3.042) 6.716 12.884 ( 3.108 0.000 3.405) 4.610 13.296 ( 6.859 0.000 4.300) 8.095 13.327 ( 4.232 0.000 0.253) 4.240 13.349 ( 3.053 0.000 4.766) 5.660 13.417 ( 4.082 0.000 2.563) 4.820 13.639 ( 5.339 0.000 5.016) 7.326 13.690 ( 3.822 0.000 3.731) 5.341 14.657 ( 3.670 0.000 1.416) 3.934 14.671 ( 1.971 0.000 2.786) 3.413 15.476 ( 2.484 0.000 2.720) 3.684 15.480 ( 3.452 0.000 0.839) 3.553 15.961 ( 2.290 0.000 1.204) 2.587 16.029 ( -1.197 0.000 1.430) 1.865 20.676 ( 1.943 0.000 0.702) 2.066 20.704 ( 0.889 0.000 0.570) 1.056 20.734 ( 2.047 0.000 1.060) 2.306 20.782 ( 0.067 0.000 0.788) 0.791 21.716 ( 2.597 0.000 -0.056) 2.597 21.740 ( 2.146 0.000 -0.720) 2.263 21.929 ( 3.516 0.000 4.682) 5.855 21.962 ( 2.600 0.000 3.618) 4.456 22.065 ( 3.834 0.000 -3.097) 4.928 22.077 ( 3.908 0.000 -2.583) 4.685 22.286 ( -1.410 0.000 -5.246) 5.432 22.299 ( -0.211 0.000 -5.935) 5.938 22.314 ( -0.432 0.000 -4.194) 4.216 22.342 ( 1.189 0.000 -5.209) 5.343 22.353 ( -3.367 0.000 0.347) 3.385 22.372 ( -3.556 0.000 0.754) 3.635 23.002 ( -0.950 0.000 -1.445) 1.729 23.003 ( -1.228 0.000 -1.261) 1.760 23.342 ( -3.681 0.000 -1.248) 3.887 23.357 ( -5.060 0.000 -0.467) 5.081 24.032 ( -1.262 0.000 3.308) 3.540 24.056 ( -0.422 0.000 -0.222) 0.477 24.657 ( 1.091 0.000 1.115) 1.560 24.718 ( -2.655 0.000 2.187) 3.440 25.433 ( 2.204 0.000 2.441) 3.289 25.471 ( 0.688 0.000 1.604) 1.745 ======================= Grid point 168 (98/104) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 6.357 0.000 -4.849) 7.995 1.747 ( -6.357 0.000 4.849) 7.995 2.222 ( -3.531 0.000 -11.154) 11.700 2.222 ( 3.531 0.000 11.154) 11.700 2.262 ( -6.212 0.000 -4.245) 7.524 2.262 ( 6.212 0.000 4.245) 7.524 2.490 ( 4.335 0.000 -3.405) 5.512 2.490 ( -4.335 0.000 3.405) 5.512 2.583 ( 0.136 0.000 -0.154) 0.206 2.583 ( -0.136 0.000 0.154) 0.206 2.717 ( -4.588 0.000 -0.420) 4.608 2.717 ( 4.588 0.000 0.420) 4.608 3.000 ( -0.659 0.000 -2.979) 3.051 3.000 ( 0.659 0.000 2.979) 3.051 3.065 ( -1.960 0.000 -8.668) 8.887 3.065 ( 1.960 0.000 8.668) 8.887 3.261 ( 6.554 0.000 -5.660) 8.660 3.261 ( -6.554 0.000 5.660) 8.660 3.394 ( 4.237 0.000 -5.975) 7.325 3.394 ( -4.237 0.000 5.975) 7.325 3.541 ( 2.852 0.000 -1.927) 3.442 3.541 ( -2.852 0.000 1.927) 3.442 3.639 ( 1.585 0.000 -1.379) 2.101 3.639 ( -1.585 0.000 1.379) 2.101 3.729 ( -9.647 0.000 -7.002) 11.920 3.729 ( 9.647 0.000 7.002) 11.920 3.785 ( 1.328 0.000 -1.507) 2.009 3.785 ( -1.328 0.000 1.507) 2.009 4.031 ( -7.703 0.000 -2.142) 7.995 4.031 ( 7.703 0.000 2.142) 7.995 4.050 ( 5.664 0.000 -4.725) 7.376 4.050 ( -5.664 0.000 4.725) 7.376 4.099 ( -3.235 0.000 -2.719) 4.225 4.099 ( 3.235 0.000 2.719) 4.225 4.221 ( -2.974 0.000 0.491) 3.014 4.221 ( 2.974 0.000 -0.491) 3.014 4.370 ( -8.573 0.000 -2.364) 8.893 4.370 ( 8.573 0.000 2.364) 8.893 4.495 ( -4.763 0.000 1.215) 4.916 4.495 ( 4.763 0.000 -1.215) 4.916 4.640 ( 4.608 0.000 -2.452) 5.219 4.640 ( -4.608 0.000 2.452) 5.219 4.688 ( -14.730 0.000 -4.827) 15.501 4.688 ( 14.730 0.000 4.827) 15.501 4.812 ( -0.083 0.000 -0.568) 0.574 4.812 ( 0.083 0.000 0.568) 0.574 4.887 ( -1.265 0.000 -1.253) 1.781 4.887 ( 1.265 0.000 1.253) 1.781 4.968 ( -5.263 0.000 -1.574) 5.494 4.968 ( 5.263 0.000 1.574) 5.494 5.052 ( 0.840 0.000 -1.117) 1.397 5.052 ( -0.840 0.000 1.117) 1.397 5.164 ( 0.790 0.000 -1.123) 1.373 5.164 ( -0.790 0.000 1.123) 1.373 5.281 ( -1.658 0.000 -2.584) 3.071 5.281 ( 1.658 0.000 2.584) 3.071 5.343 ( -0.090 0.000 -0.267) 0.282 5.343 ( 0.090 0.000 0.267) 0.282 5.558 ( -2.090 0.000 -4.027) 4.537 5.558 ( 2.090 0.000 4.027) 4.537 5.670 ( 5.252 0.000 -2.698) 5.905 5.670 ( -5.252 0.000 2.698) 5.905 5.856 ( 6.423 0.000 -4.478) 7.830 5.856 ( -6.423 0.000 4.478) 7.830 6.021 ( -4.195 0.000 -1.878) 4.596 6.021 ( 4.195 0.000 1.878) 4.596 6.102 ( -1.237 0.000 0.053) 1.238 6.102 ( 1.237 0.000 -0.053) 1.238 6.197 ( -4.346 0.000 -2.772) 5.155 6.197 ( 4.346 0.000 2.772) 5.155 6.408 ( -0.358 0.000 -3.687) 3.705 6.408 ( 0.358 0.000 3.687) 3.705 6.494 ( -3.895 0.000 -7.137) 8.131 6.494 ( 3.895 0.000 7.137) 8.131 6.602 ( -1.386 0.000 -6.231) 6.384 6.602 ( 1.386 0.000 6.231) 6.384 6.730 ( -4.772 0.000 -7.455) 8.852 6.730 ( 4.772 0.000 7.455) 8.852 6.757 ( -5.155 0.000 -6.534) 8.322 6.757 ( 5.155 0.000 6.534) 8.322 6.778 ( 1.545 0.000 -5.566) 5.777 6.778 ( -1.545 0.000 5.566) 5.777 6.832 ( -1.726 0.000 -1.691) 2.416 6.832 ( 1.726 0.000 1.691) 2.416 7.039 ( -1.213 0.000 -10.919) 10.986 7.039 ( 1.213 0.000 10.919) 10.986 7.081 ( 0.117 0.000 -2.558) 2.560 7.081 ( -0.117 0.000 2.558) 2.560 7.187 ( 0.444 0.000 -3.037) 3.070 7.187 ( -0.444 0.000 3.037) 3.070 7.270 ( -5.227 0.000 -0.282) 5.235 7.270 ( 5.227 0.000 0.282) 5.235 7.476 ( -2.327 0.000 -0.202) 2.336 7.476 ( 2.327 0.000 0.202) 2.336 7.574 ( -8.033 0.000 2.297) 8.355 7.574 ( 8.033 0.000 -2.297) 8.355 7.618 ( 1.360 0.000 -4.218) 4.432 7.618 ( -1.360 0.000 4.218) 4.432 7.677 ( -3.287 0.000 0.800) 3.383 7.677 ( 3.287 0.000 -0.800) 3.383 7.835 ( -1.632 0.000 -2.519) 3.001 7.835 ( 1.632 0.000 2.519) 3.001 7.966 ( -2.404 0.000 0.628) 2.485 7.966 ( 2.404 0.000 -0.628) 2.484 8.077 ( 1.561 0.000 -2.340) 2.813 8.077 ( -1.561 0.000 2.340) 2.813 8.153 ( -2.179 0.000 -0.210) 2.189 8.153 ( 2.179 0.000 0.210) 2.189 8.226 ( 0.047 0.000 -3.065) 3.065 8.226 ( -0.047 0.000 3.065) 3.065 8.477 ( -0.741 0.000 -0.265) 0.787 8.477 ( 0.741 0.000 0.265) 0.787 8.519 ( -1.534 0.000 -0.337) 1.571 8.519 ( 1.534 0.000 0.337) 1.571 8.611 ( -3.262 0.000 -6.499) 7.272 8.611 ( 3.262 0.000 6.499) 7.272 8.899 ( 0.780 0.000 -2.562) 2.678 8.899 ( -0.780 0.000 2.562) 2.678 8.980 ( 5.681 0.000 -2.913) 6.385 8.980 ( -5.681 0.000 2.913) 6.385 9.042 ( 0.881 0.000 -6.730) 6.787 9.042 ( -0.881 0.000 6.730) 6.787 9.191 ( -3.298 0.000 0.223) 3.305 9.191 ( 3.298 0.000 -0.223) 3.305 9.459 ( 2.351 0.000 -0.968) 2.543 9.459 ( -2.351 0.000 0.968) 2.543 9.735 ( 2.187 0.000 -0.871) 2.354 9.735 ( -2.187 0.000 0.871) 2.354 9.861 ( 0.269 0.000 -2.014) 2.032 9.861 ( -0.269 0.000 2.014) 2.032 9.961 ( -1.564 0.000 -2.215) 2.712 9.961 ( 1.564 0.000 2.215) 2.712 10.093 ( -0.752 0.000 -0.791) 1.092 10.093 ( 0.752 0.000 0.791) 1.092 10.149 ( 0.003 0.000 -1.898) 1.898 10.149 ( -0.003 0.000 1.898) 1.898 11.397 ( 0.397 0.000 -1.079) 1.150 11.397 ( -0.397 0.000 1.079) 1.150 11.533 ( 0.978 0.000 -0.879) 1.315 11.533 ( -0.978 0.000 0.879) 1.315 12.235 ( 2.532 0.000 -2.083) 3.278 12.235 ( -2.532 0.000 2.083) 3.278 12.555 ( 2.442 0.000 -2.330) 3.375 12.555 ( -2.442 0.000 2.330) 3.375 12.681 ( 1.322 0.000 -2.297) 2.650 12.681 ( -1.322 0.000 2.297) 2.650 12.910 ( -2.182 0.000 0.175) 2.189 12.910 ( 2.182 0.000 -0.175) 2.189 13.362 ( 0.827 0.000 -1.621) 1.820 13.362 ( -0.827 0.000 1.621) 1.820 13.440 ( -1.812 0.000 -2.164) 2.823 13.440 ( 1.812 0.000 2.164) 2.823 13.729 ( -1.106 0.000 -1.131) 1.581 13.729 ( 1.106 0.000 1.131) 1.581 14.698 ( 0.757 0.000 -0.672) 1.012 14.698 ( -0.757 0.000 0.672) 1.012 15.512 ( 0.408 0.000 -1.001) 1.081 15.512 ( -0.408 0.000 1.001) 1.081 16.006 ( -2.189 0.000 -0.026) 2.190 16.006 ( 2.189 0.000 0.026) 2.190 20.706 ( -0.764 0.000 -0.374) 0.850 20.706 ( 0.764 0.000 0.374) 0.850 20.772 ( -1.366 0.000 -0.467) 1.444 20.772 ( 1.366 0.000 0.467) 1.444 21.749 ( -0.556 0.000 -0.515) 0.758 21.749 ( 0.556 0.000 0.515) 0.758 22.031 ( -1.433 0.000 -6.757) 6.907 22.031 ( 1.433 0.000 6.757) 6.907 22.045 ( -1.552 0.000 -5.925) 6.125 22.045 ( 1.552 0.000 5.925) 6.125 22.270 ( -0.872 0.000 -1.672) 1.886 22.270 ( 0.872 0.000 1.672) 1.886 22.299 ( -3.425 0.000 1.074) 3.590 22.299 ( 3.425 0.000 -1.074) 3.590 22.338 ( 2.536 0.000 -2.637) 3.658 22.338 ( -2.536 0.000 2.637) 3.658 22.986 ( 0.058 0.000 -0.091) 0.108 22.986 ( -0.058 0.000 0.091) 0.108 23.307 ( 0.556 0.000 -0.195) 0.589 23.307 ( -0.556 0.000 0.195) 0.589 24.044 ( 0.163 0.000 -1.698) 1.706 24.044 ( -0.163 0.000 1.698) 1.706 24.689 ( -2.202 0.000 0.392) 2.237 24.689 ( 2.202 0.000 -0.392) 2.237 25.475 ( -0.886 0.000 -0.517) 1.026 25.475 ( 0.886 0.000 0.517) 1.026 ======================= Grid point 174 (99/104) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.000 -0.000 -0.000) 0.000 0.892 ( 0.000 0.000 0.000) 0.000 0.939 ( -0.000 0.000 -0.000) 0.000 0.939 ( 0.000 0.000 0.000) 0.000 1.424 ( 0.000 0.000 0.000) 0.000 1.424 ( -0.000 0.000 0.000) 0.000 2.173 ( -0.000 -0.000 -0.000) 0.000 2.173 ( -0.000 0.000 0.000) 0.000 2.205 ( -0.000 0.000 -0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.347 ( -0.000 -0.000 0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 -0.000) 0.000 2.829 ( -0.000 0.000 0.000) 0.000 2.922 ( -0.000 -0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 3.196 ( -0.000 -0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.281 ( -0.000 0.000 0.000) 0.000 3.398 ( 0.000 -0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 -0.000 0.000) 0.000 3.538 ( -0.000 0.000 0.000) 0.000 3.573 ( 0.000 -0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 -0.000) 0.000 3.790 ( 0.000 0.000 -0.000) 0.000 3.797 ( -0.000 -0.000 0.000) 0.000 3.797 ( -0.000 -0.000 0.000) 0.000 3.988 ( -0.000 -0.000 0.000) 0.000 3.988 ( -0.000 0.000 -0.000) 0.000 4.052 ( -0.000 0.000 0.000) 0.000 4.052 ( -0.000 0.000 0.000) 0.000 4.188 ( -0.000 0.000 0.000) 0.000 4.188 ( 0.000 -0.000 0.000) 0.000 4.235 ( -0.000 0.000 -0.000) 0.000 4.235 ( 0.000 0.000 -0.000) 0.000 4.466 ( 0.000 -0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.508 ( -0.000 -0.000 -0.000) 0.000 4.508 ( -0.000 0.000 0.000) 0.000 4.614 ( -0.000 -0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 4.806 ( 0.000 -0.000 0.000) 0.000 4.806 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 -0.000 0.000) 0.000 4.951 ( -0.000 0.000 0.000) 0.000 5.057 ( -0.000 -0.000 -0.000) 0.000 5.057 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.233 ( -0.000 0.000 0.000) 0.000 5.289 ( -0.000 0.000 -0.000) 0.000 5.289 ( 0.000 0.000 0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 5.492 ( -0.000 -0.000 0.000) 0.000 5.492 ( -0.000 0.000 0.000) 0.000 5.573 ( 0.000 0.000 -0.000) 0.000 5.573 ( 0.000 0.000 0.000) 0.000 5.622 ( -0.000 -0.000 0.000) 0.000 5.622 ( 0.000 -0.000 0.000) 0.000 5.775 ( 0.000 -0.000 0.000) 0.000 5.775 ( 0.000 0.000 -0.000) 0.000 5.971 ( 0.000 -0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 6.003 ( -0.000 -0.000 -0.000) 0.000 6.003 ( -0.000 0.000 -0.000) 0.000 6.186 ( 0.000 -0.000 -0.000) 0.000 6.186 ( 0.000 0.000 0.000) 0.000 6.219 ( -0.000 0.000 0.000) 0.000 6.219 ( -0.000 0.000 0.000) 0.000 6.424 ( 0.000 0.000 0.000) 0.000 6.424 ( 0.000 0.000 0.000) 0.000 6.498 ( -0.000 -0.000 -0.000) 0.000 6.498 ( -0.000 0.000 0.000) 0.000 6.668 ( 0.000 -0.000 -0.000) 0.000 6.668 ( 0.000 0.000 -0.000) 0.000 6.675 ( -0.000 -0.000 0.000) 0.000 6.675 ( -0.000 0.000 0.000) 0.000 6.886 ( -0.000 0.000 0.000) 0.000 6.886 ( -0.000 0.000 0.000) 0.000 6.942 ( -0.000 -0.000 -0.000) 0.000 6.942 ( -0.000 -0.000 0.000) 0.000 7.041 ( 0.000 0.000 -0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 7.177 ( -0.000 0.000 0.000) 0.000 7.177 ( -0.000 0.000 0.000) 0.000 7.305 ( -0.000 0.000 -0.000) 0.000 7.305 ( 0.000 0.000 0.000) 0.000 7.369 ( -0.000 0.000 -0.000) 0.000 7.369 ( -0.000 -0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 7.715 ( -0.000 0.000 0.000) 0.000 7.715 ( 0.000 0.000 0.000) 0.000 7.808 ( -0.000 -0.000 0.000) 0.000 7.808 ( 0.000 0.000 0.000) 0.000 7.970 ( 0.000 -0.000 0.000) 0.000 7.970 ( 0.000 0.000 0.000) 0.000 8.028 ( -0.000 0.000 -0.000) 0.000 8.028 ( 0.000 -0.000 0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 8.308 ( -0.000 -0.000 -0.000) 0.000 8.308 ( -0.000 -0.000 0.000) 0.000 8.336 ( -0.000 -0.000 -0.000) 0.000 8.336 ( -0.000 0.000 0.000) 0.000 8.409 ( -0.000 0.000 -0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 -0.000) 0.000 8.519 ( 0.000 -0.000 0.000) 0.000 8.592 ( 0.000 -0.000 0.000) 0.000 8.592 ( -0.000 0.000 0.000) 0.000 8.684 ( -0.000 0.000 -0.000) 0.000 8.684 ( -0.000 0.000 0.000) 0.000 9.000 ( 0.000 -0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.121 ( -0.000 -0.000 0.000) 0.000 9.121 ( -0.000 0.000 0.000) 0.000 9.458 ( 0.000 -0.000 0.000) 0.000 9.458 ( 0.000 0.000 0.000) 0.000 9.510 ( -0.000 -0.000 0.000) 0.000 9.510 ( -0.000 0.000 0.000) 0.000 9.834 ( -0.000 0.000 0.000) 0.000 9.834 ( -0.000 0.000 0.000) 0.000 10.200 ( -0.000 -0.000 0.000) 0.000 10.200 ( -0.000 -0.000 0.000) 0.000 10.262 ( -0.000 0.000 -0.000) 0.000 10.262 ( 0.000 0.000 0.000) 0.000 10.699 ( -0.000 0.000 0.000) 0.000 10.699 ( 0.000 -0.000 0.000) 0.000 10.734 ( -0.000 0.000 -0.000) 0.000 10.734 ( -0.000 0.000 -0.000) 0.000 11.685 ( -0.000 0.000 0.000) 0.000 11.685 ( -0.000 0.000 0.000) 0.000 12.028 ( -0.000 0.000 0.000) 0.000 12.028 ( -0.000 0.000 0.000) 0.000 12.202 ( 0.000 0.000 -0.000) 0.000 12.202 ( -0.000 0.000 0.000) 0.000 12.311 ( -0.000 -0.000 0.000) 0.000 12.311 ( -0.000 0.000 0.000) 0.000 12.339 ( 0.000 0.000 0.000) 0.000 12.339 ( 0.000 0.000 0.000) 0.000 12.564 ( -0.000 -0.000 0.000) 0.000 12.564 ( -0.000 0.000 -0.000) 0.000 12.582 ( 0.000 -0.000 -0.000) 0.000 12.582 ( 0.000 0.000 0.000) 0.000 12.952 ( 0.000 -0.000 0.000) 0.000 12.952 ( -0.000 0.000 0.000) 0.000 13.251 ( -0.000 0.000 0.000) 0.000 13.251 ( -0.000 0.000 0.000) 0.000 14.341 ( -0.000 0.000 0.000) 0.000 14.341 ( 0.000 0.000 0.000) 0.000 15.110 ( -0.000 0.000 0.000) 0.000 15.110 ( 0.000 -0.000 0.000) 0.000 15.865 ( -0.000 0.000 0.000) 0.000 15.865 ( -0.000 0.000 0.000) 0.000 20.559 ( -0.000 -0.000 0.000) 0.000 20.559 ( 0.000 0.000 0.000) 0.000 20.635 ( -0.000 0.000 0.000) 0.000 20.635 ( -0.000 -0.000 0.000) 0.000 21.596 ( -0.000 0.000 0.000) 0.000 21.596 ( 0.000 0.000 0.000) 0.000 21.721 ( 0.000 0.000 0.000) 0.000 21.721 ( 0.000 0.000 0.000) 0.000 21.774 ( -0.000 0.000 0.000) 0.000 21.774 ( -0.000 0.000 0.000) 0.000 22.381 ( -0.000 0.000 0.000) 0.000 22.381 ( 0.000 0.000 0.000) 0.000 22.558 ( -0.000 0.000 0.000) 0.000 22.558 ( -0.000 0.000 0.000) 0.000 22.636 ( 0.000 0.000 -0.000) 0.000 22.636 ( 0.000 0.000 0.000) 0.000 23.175 ( 0.000 0.000 0.000) 0.000 23.175 ( 0.000 0.000 0.000) 0.000 23.684 ( 0.000 0.000 0.000) 0.000 23.684 ( -0.000 0.000 0.000) 0.000 24.013 ( 0.000 0.000 0.000) 0.000 24.013 ( -0.000 0.000 0.000) 0.000 24.655 ( 0.000 0.000 0.000) 0.000 24.655 ( -0.000 0.000 0.000) 0.000 25.250 ( 0.000 0.000 0.000) 0.000 25.250 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 178 (100/104) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 14.882 -2.727 4.439) 15.767 0.922 ( 14.882 2.727 4.439) 15.767 1.346 ( 27.637 -2.419 3.540) 27.967 1.346 ( 27.637 2.419 3.540) 27.967 1.600 ( 16.149 -0.073 3.482) 16.520 1.600 ( 16.149 0.073 3.482) 16.520 2.122 ( -2.143 -2.444 -1.132) 3.442 2.122 ( -2.143 2.444 -1.132) 3.442 2.239 ( 7.026 -5.595 -1.657) 9.133 2.239 ( 7.026 5.595 -1.657) 9.133 2.477 ( 8.165 -6.956 2.805) 11.087 2.477 ( 8.165 6.956 2.805) 11.087 2.835 ( -5.744 -3.612 -2.160) 7.121 2.835 ( -5.744 3.612 -2.160) 7.121 2.968 ( 14.234 -8.064 -2.636) 16.570 2.968 ( 14.234 8.064 -2.636) 16.570 3.103 ( -4.401 -7.977 1.847) 9.296 3.103 ( -4.401 7.977 1.847) 9.296 3.266 ( -5.813 -7.952 -2.431) 10.145 3.266 ( -5.813 7.952 -2.431) 10.145 3.436 ( 6.009 -9.942 -0.701) 11.638 3.436 ( 6.009 9.942 -0.701) 11.638 3.538 ( -1.424 -1.532 -1.527) 2.589 3.538 ( -1.424 1.532 -1.527) 2.589 3.585 ( 3.359 -2.270 -4.401) 5.984 3.585 ( 3.359 2.270 -4.401) 5.984 3.664 ( 1.072 -6.969 -8.468) 11.019 3.664 ( 1.072 6.969 -8.468) 11.019 3.740 ( -0.383 -3.890 -4.494) 5.956 3.740 ( -0.383 3.890 -4.494) 5.956 3.883 ( 2.849 -5.275 -1.719) 6.237 3.883 ( 2.849 5.275 -1.719) 6.237 4.006 ( 3.525 -1.846 -2.049) 4.476 4.006 ( 3.525 1.846 -2.049) 4.476 4.068 ( 6.559 -2.161 -4.017) 7.989 4.068 ( 6.559 2.161 -4.017) 7.989 4.167 ( 2.707 -3.344 1.002) 4.417 4.167 ( 2.707 3.344 1.002) 4.417 4.361 ( 8.014 -2.988 3.893) 9.397 4.361 ( 8.014 2.988 3.893) 9.397 4.487 ( 2.881 -5.190 -0.946) 6.010 4.487 ( 2.881 5.190 -0.946) 6.010 4.595 ( 1.499 -1.110 -1.685) 2.513 4.595 ( 1.499 1.110 -1.685) 2.513 4.703 ( 9.162 -0.112 1.273) 9.251 4.703 ( 9.162 0.112 1.273) 9.251 4.785 ( -0.462 -7.991 -1.443) 8.134 4.785 ( -0.462 7.991 -1.443) 8.134 4.883 ( 0.968 -1.662 -2.528) 3.177 4.883 ( 0.968 1.662 -2.528) 3.177 5.085 ( -3.174 -8.650 2.977) 9.683 5.085 ( -3.174 8.650 2.977) 9.683 5.216 ( 0.981 -2.298 0.912) 2.660 5.216 ( 0.981 2.298 0.912) 2.660 5.332 ( 3.539 -3.077 0.857) 4.767 5.332 ( 3.539 3.077 0.857) 4.767 5.372 ( 1.649 -5.230 0.012) 5.483 5.372 ( 1.649 5.230 0.012) 5.483 5.490 ( 0.576 -3.608 -3.587) 5.120 5.490 ( 0.576 3.608 -3.587) 5.120 5.599 ( -0.737 -6.000 4.264) 7.397 5.599 ( -0.737 6.000 4.264) 7.397 5.631 ( 1.008 -1.796 3.284) 3.876 5.631 ( 1.008 1.796 3.284) 3.876 5.763 ( -0.388 -0.564 -2.513) 2.605 5.763 ( -0.388 0.564 -2.513) 2.605 5.879 ( -4.071 -4.407 -4.143) 7.291 5.879 ( -4.071 4.407 -4.143) 7.291 5.991 ( -3.248 -2.490 -9.093) 9.971 5.991 ( -3.248 2.490 -9.093) 9.971 6.119 ( -1.397 -5.158 5.669) 7.791 6.119 ( -1.397 5.158 5.669) 7.791 6.200 ( -4.938 -1.104 4.085) 6.503 6.200 ( -4.938 1.104 4.085) 6.503 6.317 ( -5.226 -7.817 -2.214) 9.660 6.317 ( -5.226 7.817 -2.214) 9.660 6.550 ( -0.054 -9.967 1.210) 10.041 6.550 ( -0.054 9.967 1.210) 10.041 6.680 ( -3.394 -5.750 5.706) 8.783 6.680 ( -3.394 5.750 5.706) 8.783 6.775 ( 4.829 -9.404 4.957) 11.676 6.775 ( 4.829 9.404 4.957) 11.676 6.904 ( 2.370 -2.585 -2.800) 4.487 6.904 ( 2.370 2.585 -2.800) 4.487 6.955 ( 2.687 -3.104 3.810) 5.601 6.955 ( 2.687 3.104 3.810) 5.601 7.010 ( 1.262 -0.695 -2.265) 2.684 7.010 ( 1.262 0.695 -2.265) 2.684 7.189 ( 1.104 -2.553 -5.036) 5.753 7.189 ( 1.104 2.553 -5.036) 5.753 7.250 ( -2.309 -8.388 0.539) 8.717 7.250 ( -2.309 8.388 0.539) 8.717 7.469 ( 2.232 -7.987 6.140) 10.319 7.469 ( 2.232 7.987 6.140) 10.319 7.589 ( 1.214 -0.872 3.930) 4.204 7.589 ( 1.214 0.872 3.930) 4.204 7.776 ( 2.223 -1.548 -0.269) 2.722 7.776 ( 2.223 1.548 -0.269) 2.722 7.804 ( -0.379 -1.102 -1.282) 1.732 7.804 ( -0.379 1.102 -1.282) 1.732 7.966 ( 1.328 -0.472 -2.753) 3.093 7.966 ( 1.328 0.472 -2.753) 3.093 8.037 ( -1.986 -8.093 -0.131) 8.334 8.037 ( -1.986 8.093 -0.131) 8.334 8.168 ( 0.772 -4.979 5.963) 7.807 8.168 ( 0.772 4.979 5.963) 7.807 8.300 ( -1.386 -7.673 -0.373) 7.806 8.300 ( -1.386 7.673 -0.373) 7.806 8.327 ( 1.225 -11.581 1.657) 11.763 8.327 ( 1.225 11.581 1.657) 11.763 8.464 ( -1.834 -3.337 3.177) 4.959 8.464 ( -1.834 3.337 3.177) 4.959 8.536 ( 2.123 -7.950 2.037) 8.477 8.536 ( 2.123 7.950 2.037) 8.477 8.602 ( -0.093 -0.424 2.126) 2.170 8.602 ( -0.093 0.424 2.126) 2.170 8.734 ( 2.694 -3.410 4.341) 6.143 8.734 ( 2.694 3.410 4.341) 6.143 8.972 ( -2.947 -4.471 0.059) 5.355 8.972 ( -2.947 4.471 0.059) 5.355 9.124 ( -1.313 -4.287 2.452) 5.110 9.124 ( -1.313 4.287 2.452) 5.110 9.401 ( -4.496 -5.514 -1.717) 7.319 9.401 ( -4.496 5.514 -1.717) 7.319 9.495 ( -0.792 -3.647 -2.753) 4.637 9.495 ( -0.792 3.647 -2.752) 4.637 9.823 ( -1.641 -0.898 0.736) 2.010 9.823 ( -1.641 0.898 0.736) 2.010 10.138 ( -4.339 -3.316 -3.521) 6.498 10.138 ( -4.339 3.316 -3.521) 6.498 10.253 ( -3.902 -9.390 3.612) 10.791 10.253 ( -3.902 9.390 3.612) 10.791 10.607 ( -6.191 -1.849 -3.066) 7.152 10.607 ( -6.192 1.849 -3.066) 7.152 10.726 ( -4.546 -1.715 1.389) 5.053 10.726 ( -4.546 1.715 1.389) 5.053 11.693 ( 0.957 -1.781 0.047) 2.023 11.693 ( 0.957 1.781 0.047) 2.023 11.968 ( -6.779 -5.029 1.336) 8.546 11.968 ( -6.779 5.029 1.336) 8.546 12.244 ( -4.394 -0.224 -0.536) 4.432 12.244 ( -4.394 0.224 -0.536) 4.432 12.277 ( 2.924 -6.626 1.508) 7.398 12.277 ( 2.924 6.626 1.508) 7.398 12.373 ( 5.306 -1.959 2.132) 6.045 12.373 ( 5.306 1.959 2.132) 6.045 12.502 ( -3.095 -5.613 0.998) 6.487 12.502 ( -3.095 5.613 0.998) 6.487 12.741 ( 12.903 -4.964 -0.600) 13.838 12.741 ( 12.903 4.964 -0.600) 13.838 12.976 ( 2.083 -1.986 1.604) 3.295 12.976 ( 2.083 1.986 1.604) 3.295 13.296 ( 2.909 -2.611 3.616) 5.325 13.296 ( 2.909 2.611 3.616) 5.325 14.372 ( 2.649 -1.271 1.776) 3.433 14.372 ( 2.649 1.271 1.776) 3.433 15.152 ( 3.955 -0.361 1.561) 4.267 15.152 ( 3.955 0.361 1.561) 4.267 15.881 ( 1.132 -2.338 1.170) 2.849 15.881 ( 1.132 2.338 1.170) 2.849 20.572 ( 1.184 -0.404 0.367) 1.304 20.572 ( 1.184 0.404 0.367) 1.304 20.648 ( 0.955 -1.187 1.071) 1.862 20.648 ( 0.955 1.187 1.071) 1.862 21.610 ( 1.800 -0.788 -0.382) 2.002 21.610 ( 1.800 0.788 -0.382) 2.002 21.741 ( 2.150 -1.539 0.088) 2.645 21.741 ( 2.150 1.539 0.088) 2.645 21.801 ( 3.179 -1.096 0.178) 3.368 21.801 ( 3.179 1.096 0.178) 3.368 22.379 ( 0.655 -0.164 -1.570) 1.709 22.379 ( 0.655 0.164 -1.570) 1.709 22.537 ( -1.283 -0.653 -2.129) 2.571 22.537 ( -1.283 0.653 -2.129) 2.571 22.608 ( -1.271 -0.259 -3.499) 3.732 22.608 ( -1.271 0.259 -3.499) 3.732 23.154 ( -1.284 -0.231 -1.842) 2.257 23.154 ( -1.284 0.231 -1.842) 2.257 23.658 ( -3.831 -1.085 1.129) 4.139 23.658 ( -3.831 1.085 1.129) 4.139 24.020 ( -0.552 -0.934 2.154) 2.412 24.020 ( -0.552 0.934 2.154) 2.412 24.660 ( -0.483 -2.485 1.865) 3.145 24.660 ( -0.483 2.485 1.865) 3.145 25.268 ( 1.701 -1.771 0.837) 2.594 25.268 ( 1.701 1.771 0.837) 2.594 ======================= Grid point 180 (101/104) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 21.823 -2.738 9.085) 23.797 1.339 ( 21.823 2.738 9.085) 23.797 1.794 ( 19.792 -4.573 1.729) 20.387 1.794 ( 19.792 4.573 1.729) 20.387 1.915 ( 13.767 -3.348 3.604) 14.620 1.915 ( 13.767 3.348 3.604) 14.620 2.094 ( 2.287 -10.077 0.952) 10.377 2.094 ( 2.287 10.077 0.952) 10.377 2.458 ( 14.910 -6.603 2.339) 16.473 2.458 ( 14.910 6.603 2.339) 16.473 2.583 ( 2.546 -14.843 3.439) 15.447 2.583 ( 2.546 14.843 3.439) 15.447 2.788 ( 5.145 -4.349 -1.622) 6.929 2.788 ( 5.145 4.349 -1.622) 6.929 3.075 ( 2.213 -5.159 -0.301) 5.621 3.075 ( 2.213 5.159 -0.301) 5.621 3.140 ( -4.743 -4.441 -4.464) 7.883 3.140 ( -4.743 4.441 -4.464) 7.883 3.232 ( 13.938 -9.414 -4.355) 17.374 3.232 ( 13.938 9.414 -4.355) 17.374 3.399 ( -1.463 -1.770 -5.262) 5.742 3.399 ( -1.463 1.770 -5.262) 5.742 3.466 ( 1.410 -3.305 -11.466) 12.016 3.466 ( 1.410 3.305 -11.466) 12.016 3.627 ( 3.404 -4.165 -1.918) 5.711 3.627 ( 3.404 4.165 -1.918) 5.711 3.689 ( 6.505 -4.268 -6.572) 10.184 3.689 ( 6.505 4.268 -6.572) 10.184 3.753 ( 9.991 -2.338 -5.225) 11.515 3.753 ( 9.991 2.338 -5.225) 11.515 3.878 ( 4.311 -1.202 -4.796) 6.560 3.878 ( 4.311 1.202 -4.796) 6.560 4.087 ( 5.775 -6.290 -5.637) 10.232 4.087 ( 5.775 6.290 -5.637) 10.232 4.200 ( 3.182 -0.798 0.983) 3.425 4.200 ( 3.182 0.798 0.983) 3.425 4.221 ( 5.900 -5.263 3.127) 8.503 4.221 ( 5.900 5.263 3.127) 8.503 4.407 ( 0.094 -7.890 -3.842) 8.776 4.407 ( 0.094 7.890 -3.842) 8.776 4.531 ( -1.152 -11.238 -3.578) 11.850 4.531 ( -1.152 11.238 -3.578) 11.850 4.648 ( 9.776 -1.773 -1.342) 10.026 4.648 ( 9.776 1.773 -1.342) 10.026 4.718 ( 3.544 -0.432 -4.217) 5.525 4.718 ( 3.544 0.432 -4.217) 5.525 4.862 ( 6.322 -1.679 2.616) 7.045 4.862 ( 6.322 1.679 2.616) 7.045 4.942 ( 2.460 -0.843 -4.002) 4.773 4.942 ( 2.460 0.843 -4.002) 4.773 5.108 ( 1.821 -6.007 4.695) 7.839 5.108 ( 1.821 6.007 4.695) 7.839 5.248 ( 1.863 -4.058 -2.840) 5.292 5.248 ( 1.863 4.058 -2.840) 5.292 5.311 ( -0.428 -2.655 -0.176) 2.695 5.311 ( -0.428 2.655 -0.176) 2.695 5.434 ( 1.003 -3.758 1.624) 4.215 5.434 ( 1.003 3.758 1.624) 4.215 5.523 ( 1.513 -1.411 -1.537) 2.577 5.523 ( 1.513 1.411 -1.537) 2.577 5.600 ( 3.532 -0.994 -0.500) 3.703 5.600 ( 3.532 0.994 -0.500) 3.703 5.644 ( -4.602 -2.783 3.852) 6.616 5.644 ( -4.602 2.783 3.852) 6.616 5.770 ( 3.756 -0.312 2.781) 4.684 5.770 ( 3.756 0.312 2.781) 4.684 5.823 ( 0.324 -1.203 -3.001) 3.249 5.823 ( 0.324 1.203 -3.001) 3.249 5.918 ( 0.287 -3.385 3.125) 4.616 5.918 ( 0.287 3.385 3.125) 4.616 6.121 ( -3.018 -7.947 4.319) 9.535 6.121 ( -3.018 7.947 4.319) 9.535 6.215 ( -0.211 -2.387 7.007) 7.405 6.215 ( -0.211 2.387 7.007) 7.405 6.263 ( -0.708 -7.506 3.182) 8.183 6.263 ( -0.708 7.506 3.182) 8.183 6.490 ( -7.935 -7.065 2.275) 10.865 6.490 ( -7.935 7.065 2.275) 10.865 6.674 ( -1.869 -5.065 5.309) 7.572 6.674 ( -1.869 5.065 5.309) 7.572 6.862 ( 3.333 -12.121 0.524) 12.582 6.862 ( 3.333 12.121 0.524) 12.582 6.938 ( 1.723 -1.513 -0.690) 2.395 6.938 ( 1.723 1.513 -0.690) 2.395 7.013 ( 2.239 -3.180 0.076) 3.890 7.013 ( 2.239 3.180 0.076) 3.890 7.073 ( 0.596 -1.156 2.381) 2.713 7.073 ( 0.596 1.156 2.381) 2.713 7.174 ( 1.683 -4.621 0.333) 4.929 7.174 ( 1.683 4.621 0.333) 4.929 7.281 ( 3.862 -5.378 6.282) 9.127 7.281 ( 3.862 5.378 6.282) 9.127 7.488 ( -1.510 -4.702 -2.645) 5.603 7.488 ( -1.510 4.702 -2.645) 5.603 7.655 ( 0.325 -2.148 0.104) 2.175 7.655 ( 0.325 2.148 0.104) 2.175 7.737 ( -1.158 -6.649 -1.379) 6.888 7.737 ( -1.158 6.649 -1.379) 6.888 7.806 ( 3.454 -1.826 -4.155) 5.703 7.806 ( 3.454 1.826 -4.155) 5.703 7.942 ( -1.149 -5.009 -2.803) 5.854 7.942 ( -1.149 5.009 -2.803) 5.854 8.020 ( -0.470 -4.325 2.679) 5.109 8.020 ( -0.470 4.325 2.679) 5.109 8.165 ( -4.747 -3.539 -3.889) 7.084 8.165 ( -4.747 3.539 -3.889) 7.084 8.331 ( -2.633 -7.371 6.920) 10.448 8.331 ( -2.633 7.371 6.920) 10.448 8.400 ( 3.741 -6.963 2.636) 8.332 8.400 ( 3.741 6.963 2.636) 8.332 8.462 ( -2.156 -0.756 4.905) 5.411 8.462 ( -2.156 0.756 4.905) 5.411 8.552 ( -1.152 -1.759 0.917) 2.294 8.552 ( -1.152 1.759 0.917) 2.294 8.624 ( -0.328 -1.626 3.022) 3.447 8.624 ( -0.328 1.626 3.022) 3.447 8.814 ( 0.694 -1.082 3.357) 3.595 8.814 ( 0.694 1.082 3.357) 3.595 8.948 ( -0.296 -4.733 4.586) 6.597 8.948 ( -0.296 4.733 4.586) 6.597 9.097 ( -4.884 -2.116 0.954) 5.408 9.097 ( -4.884 2.116 0.954) 5.408 9.312 ( -4.828 -3.690 0.334) 6.086 9.312 ( -4.828 3.690 0.334) 6.086 9.440 ( -1.936 -2.247 -2.096) 3.632 9.440 ( -1.936 2.247 -2.096) 3.632 9.800 ( -1.956 -1.513 1.313) 2.800 9.800 ( -1.956 1.513 1.313) 2.800 10.011 ( -6.200 -2.557 -3.578) 7.602 10.011 ( -6.200 2.557 -3.578) 7.602 10.196 ( -6.377 -6.847 3.306) 9.924 10.196 ( -6.377 6.847 3.306) 9.924 10.464 ( -6.931 -4.104 -3.099) 8.631 10.464 ( -6.931 4.104 -3.099) 8.631 10.597 ( -10.308 -0.727 -1.454) 10.435 10.597 ( -10.308 0.727 -1.454) 10.435 11.710 ( 0.285 -3.099 0.068) 3.113 11.710 ( 0.285 3.099 0.068) 3.113 11.830 ( -10.600 -3.040 0.545) 11.041 11.830 ( -10.600 3.040 0.545) 11.041 12.145 ( -3.979 -1.907 0.897) 4.502 12.145 ( -3.979 1.907 0.897) 4.502 12.398 ( 5.346 -6.128 2.166) 8.416 12.398 ( 5.346 6.128 2.166) 8.416 12.468 ( 1.394 -1.843 -0.065) 2.312 12.468 ( 1.394 1.843 -0.065) 2.312 12.527 ( 7.401 -4.633 4.697) 9.915 12.527 ( 7.401 4.633 4.697) 9.915 12.978 ( 13.654 -1.033 1.493) 13.774 12.978 ( 13.654 1.033 1.493) 13.774 13.059 ( 4.841 -3.341 4.052) 7.143 13.059 ( 4.841 3.341 4.052) 7.143 13.400 ( 3.720 -3.290 5.799) 7.635 13.400 ( 3.720 3.290 5.799) 7.635 14.459 ( 4.596 -1.738 3.102) 5.811 14.459 ( 4.596 1.738 3.102) 5.811 15.259 ( 5.876 -0.227 2.648) 6.449 15.259 ( 5.876 0.227 2.648) 6.449 15.921 ( 1.570 -4.095 2.024) 4.830 15.921 ( 1.570 4.095 2.024) 4.830 20.603 ( 1.901 -0.841 0.574) 2.157 20.603 ( 1.901 0.841 0.574) 2.157 20.685 ( 1.624 -2.130 1.756) 3.202 20.685 ( 1.624 2.130 1.756) 3.202 21.644 ( 2.811 -1.037 -0.803) 3.102 21.644 ( 2.811 1.037 -0.803) 3.102 21.791 ( 3.339 -2.060 0.523) 3.959 21.791 ( 3.339 2.060 0.523) 3.959 21.882 ( 5.769 -1.000 0.373) 5.867 21.882 ( 5.769 1.000 0.373) 5.867 22.371 ( 1.097 -0.144 -3.282) 3.464 22.371 ( 1.097 0.144 -3.282) 3.464 22.479 ( -2.016 -0.615 -3.898) 4.432 22.479 ( -2.016 0.615 -3.898) 4.432 22.531 ( -2.525 -0.124 -5.457) 6.014 22.531 ( -2.525 0.124 -5.457) 6.014 23.103 ( -1.941 -0.329 -2.710) 3.350 23.103 ( -1.941 0.329 -2.710) 3.350 23.577 ( -6.738 -1.561 0.671) 6.949 23.577 ( -6.738 1.561 0.671) 6.949 24.033 ( -1.074 -1.495 3.199) 3.691 24.033 ( -1.074 1.495 3.199) 3.691 24.671 ( -0.935 -4.096 2.907) 5.109 24.671 ( -0.935 4.096 2.907) 5.109 25.321 ( 2.802 -2.794 2.059) 4.461 25.321 ( 2.802 2.794 2.059) 4.461 ======================= Grid point 182 (102/104) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 7.486 -3.296 2.963) 8.699 1.666 ( 7.486 3.296 2.962) 8.699 2.003 ( 6.229 -8.108 2.517) 10.530 2.003 ( 6.229 8.108 2.517) 10.530 2.138 ( 12.056 -5.545 6.865) 14.940 2.138 ( 12.056 5.545 6.865) 14.940 2.294 ( 12.073 -1.738 4.486) 12.996 2.294 ( 12.073 1.738 4.486) 12.996 2.582 ( -1.745 -13.847 4.511) 14.667 2.582 ( -1.745 13.847 4.511) 14.667 2.661 ( -2.320 -4.977 2.251) 5.934 2.661 ( -2.320 4.977 2.251) 5.934 2.958 ( 10.964 -2.279 -5.815) 12.618 2.958 ( 10.964 2.279 -5.815) 12.618 3.081 ( 4.604 -1.866 1.587) 5.215 3.081 ( 4.604 1.866 1.587) 5.215 3.140 ( 7.498 -0.192 -5.218) 9.137 3.140 ( 7.498 0.192 -5.218) 9.137 3.280 ( 7.342 -4.609 -10.323) 13.481 3.280 ( 7.342 4.609 -10.323) 13.481 3.367 ( 2.140 -4.173 -4.880) 6.769 3.367 ( 2.140 4.173 -4.880) 6.769 3.504 ( 9.314 -2.908 -2.291) 10.023 3.504 ( 9.314 2.908 -2.291) 10.023 3.655 ( 5.783 -1.696 -8.824) 10.685 3.655 ( 5.783 1.696 -8.824) 10.685 3.755 ( 6.837 -6.571 -1.470) 9.596 3.755 ( 6.837 6.571 -1.470) 9.596 3.896 ( 4.510 -1.078 -8.034) 9.276 3.896 ( 4.510 1.078 -8.034) 9.276 3.918 ( 10.187 -4.475 -5.267) 12.310 3.918 ( 10.187 4.475 -5.267) 12.310 4.067 ( 3.045 -4.983 -3.628) 6.875 4.067 ( 3.045 4.983 -3.628) 6.875 4.243 ( 0.701 -2.312 -0.317) 2.437 4.243 ( 0.701 2.312 -0.317) 2.437 4.280 ( 2.752 -1.487 -4.135) 5.185 4.280 ( 2.752 1.487 -4.135) 5.185 4.428 ( 6.275 -0.536 -3.256) 7.090 4.428 ( 6.275 0.536 -3.256) 7.090 4.536 ( 4.848 -6.756 0.365) 8.323 4.536 ( 4.848 6.756 0.365) 8.323 4.704 ( -1.147 -3.386 -6.190) 7.148 4.704 ( -1.147 3.386 -6.190) 7.148 4.778 ( 4.363 -4.441 -1.294) 6.358 4.778 ( 4.363 4.441 -1.294) 6.358 4.923 ( 3.117 -2.208 0.739) 3.890 4.923 ( 3.117 2.208 0.739) 3.890 4.997 ( 4.388 -3.296 -1.126) 5.602 4.997 ( 4.388 3.296 -1.126) 5.602 5.128 ( -3.272 -3.260 3.145) 5.588 5.128 ( -3.272 3.260 3.145) 5.588 5.239 ( -3.949 -2.680 -2.812) 5.539 5.239 ( -3.949 2.680 -2.812) 5.539 5.333 ( -3.115 -3.018 0.488) 4.364 5.333 ( -3.115 3.018 0.488) 4.364 5.430 ( 7.634 -2.291 4.084) 8.956 5.430 ( 7.634 2.291 4.084) 8.956 5.540 ( -3.641 -5.683 2.079) 7.063 5.540 ( -3.641 5.683 2.079) 7.063 5.599 ( -1.307 -0.953 1.253) 2.046 5.599 ( -1.307 0.953 1.253) 2.046 5.691 ( 1.481 -2.463 3.234) 4.327 5.691 ( 1.481 2.463 3.234) 4.327 5.833 ( 6.560 -3.903 1.160) 7.721 5.833 ( 6.560 3.903 1.160) 7.721 5.877 ( 6.887 -3.469 -1.896) 7.941 5.877 ( 6.887 3.469 -1.896) 7.941 6.047 ( 4.097 -7.763 11.261) 14.278 6.047 ( 4.097 7.763 11.261) 14.278 6.156 ( 2.043 -3.309 3.773) 5.419 6.156 ( 2.043 3.309 3.773) 5.419 6.313 ( 0.790 -6.119 6.937) 9.284 6.313 ( 0.790 6.119 6.937) 9.284 6.333 ( 4.874 -1.534 5.103) 7.222 6.333 ( 4.874 1.534 5.103) 7.222 6.470 ( 5.693 -5.369 5.922) 9.814 6.470 ( 5.693 5.369 5.922) 9.814 6.673 ( -4.361 -5.577 3.142) 7.745 6.673 ( -4.361 5.577 3.142) 7.745 6.894 ( -0.240 -7.334 -0.325) 7.345 6.894 ( -0.240 7.334 -0.325) 7.345 6.948 ( 2.204 -9.076 -1.265) 9.425 6.948 ( 2.204 9.076 -1.265) 9.425 7.072 ( 4.193 -3.021 0.520) 5.194 7.072 ( 4.193 3.021 0.520) 5.194 7.082 ( -3.586 -0.791 2.701) 4.559 7.082 ( -3.586 0.791 2.701) 4.559 7.168 ( -1.572 -8.220 0.480) 8.383 7.168 ( -1.572 8.220 0.480) 8.383 7.355 ( -4.689 -7.832 -1.901) 9.325 7.355 ( -4.689 7.832 -1.901) 9.325 7.480 ( 4.727 -8.932 6.222) 11.868 7.480 ( 4.727 8.932 6.222) 11.868 7.632 ( -0.864 -4.233 -2.511) 4.997 7.632 ( -0.864 4.233 -2.511) 4.997 7.727 ( -0.637 -2.572 -3.329) 4.255 7.727 ( -0.637 2.572 -3.329) 4.255 7.819 ( -2.065 -3.094 -3.822) 5.334 7.819 ( -2.065 3.094 -3.822) 5.334 7.869 ( -1.728 -3.209 -0.956) 3.768 7.869 ( -1.728 3.209 -0.956) 3.768 7.969 ( -0.228 -0.914 -3.444) 3.571 7.969 ( -0.228 0.914 -3.444) 3.571 8.150 ( -1.061 -1.046 4.002) 4.270 8.150 ( -1.061 1.046 4.002) 4.270 8.259 ( -7.466 -2.888 -0.814) 8.047 8.259 ( -7.466 2.888 -0.814) 8.047 8.378 ( -2.332 -7.384 -1.803) 7.951 8.378 ( -2.332 7.384 -1.803) 7.951 8.460 ( -2.276 -4.705 -0.188) 5.230 8.460 ( -2.276 4.705 -0.188) 5.230 8.557 ( -4.583 -4.858 6.274) 9.163 8.557 ( -4.583 4.858 6.274) 9.163 8.664 ( 2.279 -5.720 0.475) 6.176 8.664 ( 2.279 5.720 0.475) 6.176 8.817 ( -0.122 -2.230 -0.515) 2.292 8.817 ( -0.122 2.230 -0.515) 2.292 8.979 ( -4.146 -6.519 0.410) 7.737 8.979 ( -4.146 6.519 0.410) 7.737 9.068 ( 0.419 -1.697 8.998) 9.167 9.068 ( 0.419 1.697 8.998) 9.167 9.225 ( -5.001 -2.092 -1.118) 5.535 9.225 ( -5.001 2.092 -1.118) 5.535 9.416 ( -1.564 -6.230 2.704) 6.969 9.416 ( -1.564 6.230 2.704) 6.969 9.794 ( -0.310 -2.747 1.792) 3.294 9.794 ( -0.310 2.747 1.792) 3.294 9.879 ( -5.583 -3.982 -2.606) 7.336 9.879 ( -5.583 3.982 -2.606) 7.336 10.117 ( -5.990 -5.032 2.136) 8.109 10.117 ( -5.990 5.032 2.136) 8.109 10.310 ( -7.964 -4.739 -4.358) 10.240 10.310 ( -7.964 4.739 -4.358) 10.240 10.388 ( -10.011 -3.699 -3.137) 11.124 10.388 ( -10.011 3.699 -3.137) 11.124 11.621 ( -10.145 -2.846 -1.293) 10.616 11.621 ( -10.145 2.846 -1.293) 10.616 11.696 ( -4.693 -0.271 -1.283) 4.873 11.696 ( -4.693 0.271 -1.283) 4.873 12.144 ( 1.548 -1.793 2.674) 3.573 12.144 ( 1.548 1.793 2.674) 3.573 12.455 ( 1.923 -0.340 1.743) 2.618 12.455 ( 1.923 0.340 1.743) 2.618 12.560 ( 5.596 -3.330 1.675) 6.724 12.560 ( 5.596 3.330 1.675) 6.724 12.711 ( 7.505 -3.734 5.719) 10.148 12.711 ( 7.505 3.734 5.719) 10.148 13.179 ( 8.044 -5.312 3.119) 10.132 13.179 ( 8.044 5.312 3.119) 10.132 13.224 ( 8.246 -3.673 4.470) 10.073 13.224 ( 8.246 3.673 4.470) 10.073 13.531 ( 4.925 -2.926 6.456) 8.632 13.531 ( 4.925 2.926 6.456) 8.632 14.572 ( 4.694 -1.291 3.346) 5.907 14.572 ( 4.694 1.291 3.346) 5.907 15.383 ( 5.354 -0.153 2.771) 6.031 15.383 ( 5.354 0.153 2.771) 6.031 15.965 ( 1.148 -4.441 2.128) 5.057 15.965 ( 1.148 4.441 2.128) 5.057 20.644 ( 2.163 -1.101 0.725) 2.533 20.644 ( 2.163 1.101 0.725) 2.533 20.730 ( 1.568 -2.444 1.674) 3.351 20.730 ( 1.568 2.444 1.674) 3.351 21.685 ( 3.050 -1.139 -0.898) 3.377 21.685 ( 3.050 1.139 -0.898) 3.377 21.862 ( 3.663 -2.146 1.834) 4.625 21.862 ( 3.663 2.146 1.834) 4.625 21.989 ( 6.347 -0.497 -0.015) 6.367 21.989 ( 6.347 0.497 -0.015) 6.367 22.351 ( 1.085 -0.147 -5.123) 5.239 22.351 ( 1.085 0.147 -5.123) 5.239 22.397 ( -1.780 -0.766 -6.711) 6.985 22.397 ( -1.780 0.766 -6.711) 6.985 22.434 ( -3.813 -0.820 -2.588) 4.681 22.434 ( -3.813 0.820 -2.588) 4.681 23.046 ( -1.799 -0.229 -2.381) 2.994 23.046 ( -1.799 0.229 -2.381) 2.994 23.457 ( -7.047 -1.290 -0.577) 7.187 23.457 ( -7.047 1.290 -0.577) 7.187 24.042 ( -1.256 -1.570 2.812) 3.457 24.042 ( -1.256 1.570 2.812) 3.457 24.682 ( -1.100 -4.200 2.785) 5.158 24.682 ( -1.100 4.200 2.785) 5.158 25.393 ( 2.594 -2.688 2.789) 4.662 25.393 ( 2.594 2.688 2.789) 4.662 ======================= Grid point 184 (103/104) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 1.311 -4.440 1.330) 4.816 1.737 ( 1.311 4.440 1.330) 4.816 2.108 ( 3.291 -0.955 3.155) 4.658 2.108 ( 3.291 0.955 3.155) 4.658 2.353 ( 2.455 -4.131 1.292) 4.977 2.353 ( 2.455 4.131 1.292) 4.977 2.482 ( 3.932 -2.532 3.914) 6.099 2.482 ( 3.932 2.532 3.914) 6.099 2.561 ( 0.121 -9.335 1.241) 9.418 2.561 ( 0.121 9.335 1.241) 9.418 2.621 ( 0.070 -6.617 0.663) 6.651 2.621 ( 0.070 6.617 0.663) 6.651 3.005 ( 2.429 -3.173 0.473) 4.023 3.005 ( 2.429 3.173 0.473) 4.023 3.108 ( 2.045 -6.469 -6.668) 9.513 3.108 ( 2.045 6.469 -6.668) 9.513 3.233 ( 2.523 -4.884 -5.486) 7.767 3.233 ( 2.523 4.884 -5.486) 7.767 3.350 ( 9.352 -8.453 -1.165) 12.660 3.350 ( 9.352 8.453 -1.165) 12.660 3.458 ( 4.182 -6.665 3.446) 8.590 3.458 ( 4.182 6.665 3.446) 8.590 3.578 ( 0.738 -1.078 -5.019) 5.186 3.578 ( 0.738 1.078 -5.019) 5.186 3.690 ( 7.436 -6.502 -4.815) 10.989 3.690 ( 7.436 6.502 -4.815) 10.989 3.828 ( 3.785 -5.862 -0.869) 7.032 3.828 ( 3.785 5.862 -0.869) 7.032 3.908 ( 10.107 -1.802 -2.982) 10.691 3.908 ( 10.107 1.802 -2.982) 10.691 4.037 ( 5.161 -1.993 -3.683) 6.647 4.037 ( 5.161 1.993 -3.683) 6.647 4.146 ( 2.382 -1.511 -4.816) 5.581 4.146 ( 2.382 1.511 -4.816) 5.581 4.233 ( 7.321 -3.342 -0.409) 8.058 4.233 ( 7.321 3.342 -0.409) 8.058 4.345 ( 4.338 -9.774 0.257) 10.697 4.345 ( 4.338 9.774 0.257) 10.697 4.447 ( -0.012 -10.964 -6.192) 12.591 4.447 ( -0.012 10.964 -6.192) 12.591 4.583 ( 0.215 -3.940 -5.258) 6.574 4.583 ( 0.215 3.940 -5.258) 6.574 4.667 ( 4.505 -6.094 2.907) 8.117 4.667 ( 4.505 6.094 2.907) 8.117 4.815 ( 1.997 -2.761 -0.988) 3.548 4.815 ( 1.997 2.761 -0.988) 3.548 4.961 ( -4.899 -2.281 1.386) 5.579 4.961 ( -4.899 2.281 1.386) 5.579 4.997 ( -6.764 -8.562 0.852) 10.944 4.997 ( -6.764 8.562 0.852) 10.944 5.066 ( 0.365 -1.874 -0.725) 2.042 5.066 ( 0.365 1.874 -0.725) 2.042 5.157 ( -0.131 -11.490 -0.893) 11.525 5.157 ( -0.131 11.490 -0.893) 11.525 5.265 ( -4.612 -1.477 0.219) 4.848 5.265 ( -4.612 1.477 0.219) 4.848 5.448 ( -6.916 -4.939 0.525) 8.514 5.448 ( -6.916 4.939 0.525) 8.514 5.542 ( 1.071 -5.444 1.394) 5.720 5.542 ( 1.071 5.444 1.394) 5.720 5.653 ( 0.379 -2.274 1.216) 2.607 5.653 ( 0.379 2.274 1.216) 2.607 5.806 ( 14.004 -7.702 3.549) 16.371 5.806 ( 14.004 7.702 3.549) 16.371 5.949 ( 3.604 -3.204 3.197) 5.786 5.949 ( 3.604 3.204 3.197) 5.786 5.999 ( 0.016 -4.344 4.730) 6.422 5.999 ( 0.016 4.344 4.730) 6.422 6.219 ( 8.509 -4.527 3.734) 10.336 6.219 ( 8.509 4.527 3.734) 10.336 6.281 ( 8.176 -2.013 2.534) 8.793 6.281 ( 8.176 2.013 2.534) 8.793 6.386 ( 1.239 -3.742 2.933) 4.913 6.386 ( 1.239 3.742 2.933) 4.913 6.479 ( 5.737 -2.285 6.820) 9.200 6.479 ( 5.737 2.285 6.820) 9.200 6.633 ( -0.117 -3.307 3.492) 4.811 6.633 ( -0.117 3.307 3.492) 4.811 6.714 ( 10.340 -1.966 5.537) 11.893 6.714 ( 10.340 1.966 5.537) 11.893 6.846 ( -6.493 -8.787 -0.466) 10.936 6.846 ( -6.493 8.787 -0.466) 10.936 6.947 ( -2.238 -8.973 -1.043) 9.306 6.947 ( -2.238 8.973 -1.043) 9.306 6.985 ( -3.689 -7.573 -0.627) 8.447 6.985 ( -3.689 7.573 -0.627) 8.447 7.100 ( 0.576 -5.943 -1.292) 6.109 7.100 ( 0.576 5.943 -1.292) 6.109 7.236 ( 2.972 -3.464 2.785) 5.347 7.236 ( 2.972 3.464 2.785) 5.347 7.276 ( -1.673 -2.834 -2.105) 3.906 7.276 ( -1.673 2.834 -2.105) 3.906 7.498 ( -5.317 -3.547 -2.068) 6.718 7.498 ( -5.317 3.547 -2.068) 6.718 7.580 ( -1.155 -4.354 0.263) 4.512 7.580 ( -1.155 4.354 0.263) 4.512 7.662 ( -0.260 -2.426 -5.921) 6.404 7.662 ( -0.260 2.426 -5.921) 6.404 7.726 ( -7.212 -1.694 -0.610) 7.433 7.726 ( -7.212 1.694 -0.610) 7.433 7.843 ( -0.215 -1.975 -0.505) 2.049 7.843 ( -0.215 1.975 -0.505) 2.049 7.957 ( -0.082 -1.738 -2.295) 2.880 7.957 ( -0.082 1.738 -2.295) 2.880 8.146 ( -0.874 -1.983 2.139) 3.045 8.146 ( -0.874 1.983 2.139) 3.045 8.178 ( -2.885 -1.366 2.032) 3.784 8.178 ( -2.885 1.366 2.032) 3.784 8.298 ( -3.836 -0.999 -2.600) 4.740 8.298 ( -3.836 0.999 -2.600) 4.740 8.412 ( -2.929 -1.501 -2.079) 3.892 8.412 ( -2.929 1.501 -2.079) 3.892 8.539 ( -2.053 -1.340 6.119) 6.592 8.539 ( -2.053 1.340 6.119) 6.592 8.670 ( 0.222 -7.804 -3.578) 8.588 8.670 ( 0.222 7.804 -3.578) 8.588 8.833 ( 1.693 -3.348 2.388) 4.448 8.833 ( 1.693 3.348 2.388) 4.448 8.954 ( -0.247 -6.160 0.443) 6.181 8.954 ( -0.247 6.160 0.443) 6.181 9.097 ( -3.607 -3.702 0.509) 5.194 9.097 ( -3.607 3.702 0.509) 5.194 9.176 ( -0.930 -2.404 3.109) 4.039 9.176 ( -0.930 2.404 3.109) 4.039 9.441 ( 1.006 -3.519 3.463) 5.038 9.441 ( 1.006 3.519 3.463) 5.038 9.788 ( -2.315 -4.589 -1.190) 5.275 9.788 ( -2.315 4.589 -1.190) 5.275 9.814 ( -0.193 -2.545 1.734) 3.086 9.814 ( -0.193 2.545 1.734) 3.086 10.036 ( -5.131 -5.450 0.263) 7.491 10.036 ( -5.131 5.450 0.263) 7.491 10.116 ( -7.380 -4.201 -5.001) 9.855 10.116 ( -7.380 4.201 -5.001) 9.855 10.247 ( -4.335 -2.519 -1.893) 5.359 10.247 ( -4.335 2.519 -1.893) 5.359 11.460 ( -6.330 -0.683 -1.525) 6.547 11.460 ( -6.330 0.683 -1.525) 6.547 11.587 ( -5.303 -0.429 -1.774) 5.608 11.587 ( -5.303 0.429 -1.774) 5.608 12.215 ( 2.929 -1.702 2.123) 3.998 12.215 ( 2.929 1.702 2.123) 3.998 12.508 ( 1.958 -1.087 1.341) 2.611 12.508 ( 1.958 1.087 1.341) 2.611 12.649 ( 2.861 -0.710 1.900) 3.507 12.649 ( 2.861 0.710 1.900) 3.507 12.862 ( 4.407 -2.634 3.728) 6.344 12.862 ( 4.407 2.634 3.728) 6.344 13.317 ( 4.555 -1.390 2.038) 5.179 13.317 ( 4.555 1.390 2.038) 5.179 13.371 ( 4.595 -2.861 3.792) 6.609 13.371 ( 4.595 2.861 3.792) 6.609 13.669 ( 4.461 -2.088 4.218) 6.485 13.669 ( 4.461 2.088 4.218) 6.485 14.664 ( 2.780 -0.583 2.128) 3.550 14.664 ( 2.780 0.583 2.128) 3.550 15.478 ( 3.080 -0.201 1.749) 3.548 15.478 ( 3.080 0.201 1.749) 3.548 15.995 ( 0.449 -2.902 1.337) 3.227 15.995 ( 0.449 2.902 1.337) 3.227 20.685 ( 1.758 -0.994 0.700) 2.137 20.685 ( 1.758 0.994 0.700) 2.137 20.762 ( 0.718 -1.858 0.859) 2.170 20.762 ( 0.718 1.858 0.859) 2.170 21.727 ( 2.419 -0.982 -0.309) 2.628 21.727 ( 2.419 0.982 -0.309) 2.628 21.946 ( 3.002 -1.406 4.064) 5.245 21.946 ( 3.002 1.406 4.064) 5.245 22.071 ( 3.894 -0.503 -2.838) 4.844 22.071 ( 3.894 0.503 -2.838) 4.844 22.290 ( -1.084 -0.502 -5.412) 5.542 22.290 ( -1.084 0.502 -5.412) 5.542 22.328 ( 0.284 -0.993 -4.481) 4.599 22.328 ( 0.284 0.993 -4.481) 4.599 22.365 ( -3.116 -0.710 0.159) 3.200 22.365 ( -3.116 0.710 0.159) 3.200 23.002 ( -1.099 -0.056 -1.354) 1.745 23.002 ( -1.099 0.056 -1.354) 1.745 23.350 ( -4.349 -0.654 -0.866) 4.482 23.350 ( -4.349 0.654 -0.866) 4.482 24.045 ( -0.840 -1.048 1.551) 2.052 24.045 ( -0.840 1.048 1.551) 2.052 24.687 ( -0.759 -2.649 1.665) 3.220 24.687 ( -0.759 2.649 1.665) 3.220 25.451 ( 1.409 -1.609 2.006) 2.933 25.451 ( 1.409 1.609 2.007) 2.933 ======================= Grid point 186 (104/104) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -0.000 0.000 0.000) 0.000 1.755 ( -0.000 0.000 0.000) 0.000 2.186 ( -0.000 0.000 -0.000) 0.000 2.186 ( -0.000 -0.000 0.000) 0.000 2.281 ( -0.000 -0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.557 ( -0.000 -0.000 -0.000) 0.000 2.557 ( -0.000 0.000 0.000) 0.000 2.585 ( -0.000 0.000 0.000) 0.000 2.585 ( -0.000 0.000 0.000) 0.000 2.641 ( -0.000 -0.000 0.000) 0.000 2.641 ( -0.000 0.000 0.000) 0.000 3.056 ( 0.000 0.000 -0.000) 0.000 3.056 ( -0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 -0.000) 0.000 3.071 ( -0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 -0.000) 0.000 3.211 ( -0.000 0.000 0.000) 0.000 3.445 ( -0.000 -0.000 0.000) 0.000 3.445 ( -0.000 0.000 0.000) 0.000 3.461 ( 0.000 -0.000 0.000) 0.000 3.461 ( 0.000 0.000 -0.000) 0.000 3.604 ( -0.000 -0.000 0.000) 0.000 3.604 ( -0.000 0.000 0.000) 0.000 3.700 ( -0.000 0.000 -0.000) 0.000 3.700 ( -0.000 0.000 0.000) 0.000 3.938 ( 0.000 -0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 3.960 ( -0.000 -0.000 -0.000) 0.000 3.960 ( -0.000 0.000 -0.000) 0.000 4.080 ( -0.000 -0.000 0.000) 0.000 4.080 ( -0.000 0.000 0.000) 0.000 4.110 ( 0.000 -0.000 -0.000) 0.000 4.110 ( -0.000 0.000 -0.000) 0.000 4.257 ( -0.000 0.000 -0.000) 0.000 4.257 ( 0.000 0.000 -0.000) 0.000 4.365 ( -0.000 0.000 0.000) 0.000 4.365 ( -0.000 0.000 0.000) 0.000 4.490 ( -0.000 -0.000 0.000) 0.000 4.490 ( -0.000 0.000 0.000) 0.000 4.609 ( -0.000 -0.000 -0.000) 0.000 4.609 ( -0.000 0.000 0.000) 0.000 4.721 ( 0.000 -0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.766 ( -0.000 0.000 0.000) 0.000 4.766 ( 0.000 -0.000 0.000) 0.000 4.884 ( -0.000 0.000 -0.000) 0.000 4.884 ( -0.000 -0.000 0.000) 0.000 4.952 ( -0.000 -0.000 0.000) 0.000 4.952 ( -0.000 0.000 0.000) 0.000 5.056 ( -0.000 0.000 -0.000) 0.000 5.056 ( -0.000 0.000 0.000) 0.000 5.158 ( -0.000 -0.000 -0.000) 0.000 5.158 ( 0.000 -0.000 -0.000) 0.000 5.297 ( -0.000 -0.000 -0.000) 0.000 5.297 ( 0.000 -0.000 0.000) 0.000 5.302 ( -0.000 0.000 -0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.593 ( -0.000 -0.000 -0.000) 0.000 5.593 ( -0.000 0.000 0.000) 0.000 5.662 ( -0.000 -0.000 -0.000) 0.000 5.662 ( -0.000 0.000 0.000) 0.000 5.917 ( -0.000 0.000 -0.000) 0.000 5.917 ( -0.000 0.000 0.000) 0.000 6.026 ( -0.000 -0.000 0.000) 0.000 6.026 ( -0.000 0.000 0.000) 0.000 6.125 ( -0.000 -0.000 -0.000) 0.000 6.125 ( 0.000 -0.000 0.000) 0.000 6.150 ( -0.000 0.000 -0.000) 0.000 6.150 ( 0.000 0.000 0.000) 0.000 6.396 ( -0.000 -0.000 -0.000) 0.000 6.396 ( -0.000 0.000 0.000) 0.000 6.474 ( 0.000 0.000 -0.000) 0.000 6.474 ( -0.000 0.000 0.000) 0.000 6.573 ( -0.000 0.000 -0.000) 0.000 6.573 ( -0.000 0.000 0.000) 0.000 6.744 ( -0.000 -0.000 0.000) 0.000 6.744 ( 0.000 0.000 0.000) 0.000 6.756 ( -0.000 0.000 -0.000) 0.000 6.756 ( 0.000 0.000 0.000) 0.000 6.787 ( -0.000 -0.000 -0.000) 0.000 6.787 ( 0.000 0.000 0.000) 0.000 6.917 ( 0.000 -0.000 0.000) 0.000 6.917 ( -0.000 -0.000 0.000) 0.000 6.939 ( -0.000 0.000 -0.000) 0.000 6.939 ( -0.000 0.000 -0.000) 0.000 7.106 ( -0.000 0.000 -0.000) 0.000 7.106 ( -0.000 0.000 0.000) 0.000 7.195 ( -0.000 0.000 -0.000) 0.000 7.195 ( -0.000 0.000 0.000) 0.000 7.288 ( -0.000 0.000 0.000) 0.000 7.288 ( -0.000 0.000 0.000) 0.000 7.499 ( -0.000 0.000 -0.000) 0.000 7.499 ( 0.000 0.000 0.000) 0.000 7.535 ( -0.000 -0.000 -0.000) 0.000 7.535 ( -0.000 -0.000 0.000) 0.000 7.625 ( 0.000 -0.000 -0.000) 0.000 7.625 ( 0.000 -0.000 0.000) 0.000 7.629 ( -0.000 0.000 -0.000) 0.000 7.629 ( -0.000 0.000 0.000) 0.000 7.851 ( -0.000 -0.000 0.000) 0.000 7.851 ( -0.000 0.000 0.000) 0.000 7.930 ( -0.000 -0.000 -0.000) 0.000 7.930 ( -0.000 0.000 0.000) 0.000 8.150 ( -0.000 -0.000 -0.000) 0.000 8.150 ( -0.000 0.000 0.000) 0.000 8.170 ( 0.000 -0.000 0.000) 0.000 8.170 ( -0.000 0.000 -0.000) 0.000 8.254 ( -0.000 0.000 -0.000) 0.000 8.254 ( -0.000 -0.000 0.000) 0.000 8.359 ( 0.000 0.000 -0.000) 0.000 8.359 ( -0.000 0.000 0.000) 0.000 8.576 ( -0.000 0.000 -0.000) 0.000 8.576 ( -0.000 0.000 0.000) 0.000 8.643 ( -0.000 -0.000 -0.000) 0.000 8.643 ( -0.000 0.000 0.000) 0.000 8.878 ( -0.000 0.000 -0.000) 0.000 8.878 ( -0.000 0.000 0.000) 0.000 8.949 ( -0.000 0.000 0.000) 0.000 8.949 ( -0.000 0.000 0.000) 0.000 9.051 ( -0.000 0.000 -0.000) 0.000 9.051 ( -0.000 0.000 0.000) 0.000 9.191 ( -0.000 -0.000 0.000) 0.000 9.191 ( -0.000 0.000 0.000) 0.000 9.476 ( -0.000 0.000 0.000) 0.000 9.476 ( -0.000 0.000 0.000) 0.000 9.792 ( -0.000 -0.000 -0.000) 0.000 9.792 ( -0.000 0.000 0.000) 0.000 9.796 ( 0.000 -0.000 0.000) 0.000 9.796 ( 0.000 0.000 -0.000) 0.000 9.972 ( 0.000 0.000 0.000) 0.000 9.972 ( -0.000 0.000 0.000) 0.000 10.035 ( -0.000 -0.000 0.000) 0.000 10.035 ( -0.000 -0.000 0.000) 0.000 10.201 ( -0.000 0.000 0.000) 0.000 10.201 ( -0.000 0.000 0.000) 0.000 11.398 ( -0.000 -0.000 0.000) 0.000 11.398 ( -0.000 0.000 0.000) 0.000 11.527 ( -0.000 0.000 0.000) 0.000 11.527 ( -0.000 0.000 0.000) 0.000 12.253 ( -0.000 0.000 0.000) 0.000 12.253 ( -0.000 -0.000 0.000) 0.000 12.532 ( -0.000 -0.000 0.000) 0.000 12.532 ( -0.000 0.000 0.000) 0.000 12.684 ( -0.000 -0.000 0.000) 0.000 12.684 ( -0.000 0.000 0.000) 0.000 12.918 ( -0.000 0.000 0.000) 0.000 12.918 ( -0.000 0.000 0.000) 0.000 13.364 ( -0.000 0.000 -0.000) 0.000 13.364 ( -0.000 0.000 0.000) 0.000 13.434 ( -0.000 0.000 -0.000) 0.000 13.434 ( -0.000 0.000 0.000) 0.000 13.731 ( -0.000 0.000 0.000) 0.000 13.731 ( -0.000 0.000 0.000) 0.000 14.698 ( -0.000 -0.000 0.000) 0.000 14.698 ( -0.000 0.000 0.000) 0.000 15.513 ( -0.000 0.000 0.000) 0.000 15.513 ( -0.000 0.000 0.000) 0.000 16.005 ( -0.000 0.000 0.000) 0.000 16.005 ( -0.000 0.000 0.000) 0.000 20.706 ( -0.000 0.000 0.000) 0.000 20.706 ( -0.000 0.000 0.000) 0.000 20.771 ( -0.000 0.000 -0.000) 0.000 20.771 ( -0.000 0.000 0.000) 0.000 21.749 ( -0.000 0.000 0.000) 0.000 21.749 ( -0.000 0.000 0.000) 0.000 22.029 ( -0.000 0.000 -0.000) 0.000 22.029 ( -0.000 0.000 0.000) 0.000 22.046 ( -0.000 -0.000 -0.000) 0.000 22.046 ( 0.000 0.000 0.000) 0.000 22.268 ( -0.000 -0.000 -0.000) 0.000 22.268 ( -0.000 0.000 0.000) 0.000 22.302 ( -0.000 -0.000 0.000) 0.000 22.302 ( -0.000 0.000 0.000) 0.000 22.336 ( 0.000 0.000 -0.000) 0.000 22.336 ( -0.000 0.000 0.000) 0.000 22.986 ( -0.000 -0.000 0.000) 0.000 22.986 ( -0.000 0.000 0.000) 0.000 23.307 ( -0.000 0.000 0.000) 0.000 23.307 ( -0.000 0.000 0.000) 0.000 24.045 ( -0.000 0.000 0.000) 0.000 24.045 ( -0.000 0.000 0.000) 0.000 24.689 ( -0.000 0.000 0.000) 0.000 24.689 ( -0.000 0.000 0.000) 0.000 25.473 ( -0.000 0.000 0.000) 0.000 25.473 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/37200 10.0 34.575 31.546 52.692 0.000 6.960 0.000 3/37200 20.0 11.189 7.849 11.721 0.000 2.429 0.000 3/37200 30.0 5.891 3.710 5.539 0.000 1.193 0.000 3/37200 40.0 3.822 2.274 3.399 0.000 0.732 0.000 3/37200 50.0 2.788 1.604 2.388 0.000 0.512 0.000 3/37200 60.0 2.187 1.233 1.822 0.000 0.390 0.000 3/37200 70.0 1.801 1.004 1.469 0.000 0.314 0.000 3/37200 80.0 1.534 0.850 1.232 0.000 0.263 0.000 3/37200 90.0 1.339 0.740 1.062 0.000 0.227 0.000 3/37200 100.0 1.192 0.659 0.936 0.000 0.200 0.000 3/37200 110.0 1.076 0.595 0.839 0.000 0.179 0.000 3/37200 120.0 0.983 0.545 0.761 0.000 0.163 0.000 3/37200 130.0 0.906 0.504 0.699 0.000 0.149 0.000 3/37200 140.0 0.842 0.469 0.647 0.000 0.138 0.000 3/37200 150.0 0.787 0.440 0.603 0.000 0.129 0.000 3/37200 160.0 0.740 0.414 0.566 0.000 0.121 0.000 3/37200 170.0 0.699 0.392 0.534 0.000 0.114 0.000 3/37200 180.0 0.663 0.372 0.506 0.000 0.107 0.000 3/37200 190.0 0.631 0.355 0.481 0.000 0.102 0.000 3/37200 200.0 0.602 0.339 0.459 0.000 0.097 0.000 3/37200 210.0 0.576 0.325 0.440 0.000 0.093 0.000 3/37200 220.0 0.552 0.312 0.422 0.000 0.089 0.000 3/37200 230.0 0.531 0.301 0.406 0.000 0.085 0.000 3/37200 240.0 0.511 0.290 0.392 0.000 0.082 0.000 3/37200 250.0 0.493 0.280 0.379 0.000 0.079 0.000 3/37200 260.0 0.476 0.271 0.366 0.000 0.076 0.000 3/37200 270.0 0.460 0.262 0.355 0.000 0.074 0.000 3/37200 280.0 0.446 0.254 0.345 0.000 0.071 0.000 3/37200 290.0 0.432 0.247 0.335 0.000 0.069 0.000 3/37200 300.0 0.420 0.239 0.326 0.000 0.067 0.000 3/37200 310.0 0.408 0.233 0.317 0.000 0.065 0.000 3/37200 320.0 0.397 0.227 0.309 0.000 0.063 0.000 3/37200 330.0 0.386 0.221 0.301 0.000 0.061 0.000 3/37200 340.0 0.376 0.215 0.294 0.000 0.060 0.000 3/37200 350.0 0.366 0.210 0.287 0.000 0.058 0.000 3/37200 360.0 0.357 0.205 0.281 0.000 0.057 0.000 3/37200 370.0 0.349 0.200 0.275 0.000 0.055 0.000 3/37200 380.0 0.341 0.195 0.269 0.000 0.054 0.000 3/37200 390.0 0.333 0.191 0.263 0.000 0.053 0.000 3/37200 400.0 0.325 0.187 0.257 0.000 0.052 0.000 3/37200 410.0 0.318 0.183 0.252 0.000 0.050 0.000 3/37200 420.0 0.311 0.179 0.247 0.000 0.049 0.000 3/37200 430.0 0.305 0.175 0.242 0.000 0.048 0.000 3/37200 440.0 0.299 0.172 0.238 0.000 0.047 0.000 3/37200 450.0 0.293 0.168 0.233 0.000 0.046 0.000 3/37200 460.0 0.287 0.165 0.229 0.000 0.045 0.000 3/37200 470.0 0.281 0.162 0.225 0.000 0.045 0.000 3/37200 480.0 0.276 0.159 0.221 0.000 0.044 0.000 3/37200 490.0 0.271 0.156 0.217 0.000 0.043 0.000 3/37200 500.0 0.266 0.153 0.213 0.000 0.042 0.000 3/37200 510.0 0.261 0.150 0.210 0.000 0.041 0.000 3/37200 520.0 0.257 0.148 0.206 0.000 0.041 0.000 3/37200 530.0 0.252 0.145 0.203 0.000 0.040 0.000 3/37200 540.0 0.248 0.143 0.199 0.000 0.039 0.000 3/37200 550.0 0.244 0.140 0.196 0.000 0.038 0.000 3/37200 560.0 0.240 0.138 0.193 0.000 0.038 0.000 3/37200 570.0 0.236 0.136 0.190 0.000 0.037 0.000 3/37200 580.0 0.232 0.134 0.187 0.000 0.037 0.000 3/37200 590.0 0.228 0.132 0.185 0.000 0.036 0.000 3/37200 600.0 0.225 0.130 0.182 0.000 0.035 0.000 3/37200 610.0 0.221 0.128 0.179 0.000 0.035 0.000 3/37200 620.0 0.218 0.126 0.177 0.000 0.034 0.000 3/37200 630.0 0.215 0.124 0.174 0.000 0.034 0.000 3/37200 640.0 0.212 0.122 0.172 0.000 0.033 0.000 3/37200 650.0 0.208 0.120 0.169 0.000 0.033 0.000 3/37200 660.0 0.206 0.119 0.167 0.000 0.032 0.000 3/37200 670.0 0.203 0.117 0.165 0.000 0.032 0.000 3/37200 680.0 0.200 0.115 0.162 0.000 0.031 0.000 3/37200 690.0 0.197 0.114 0.160 0.000 0.031 0.000 3/37200 700.0 0.194 0.112 0.158 0.000 0.031 0.000 3/37200 710.0 0.192 0.111 0.156 0.000 0.030 0.000 3/37200 720.0 0.189 0.109 0.154 0.000 0.030 0.000 3/37200 730.0 0.187 0.108 0.152 0.000 0.029 0.000 3/37200 740.0 0.184 0.107 0.150 0.000 0.029 0.000 3/37200 750.0 0.182 0.105 0.149 0.000 0.029 0.000 3/37200 760.0 0.180 0.104 0.147 0.000 0.028 0.000 3/37200 770.0 0.178 0.103 0.145 0.000 0.028 0.000 3/37200 780.0 0.175 0.101 0.143 0.000 0.028 0.000 3/37200 790.0 0.173 0.100 0.142 0.000 0.027 0.000 3/37200 800.0 0.171 0.099 0.140 0.000 0.027 0.000 3/37200 810.0 0.169 0.098 0.138 0.000 0.027 0.000 3/37200 820.0 0.167 0.097 0.137 0.000 0.026 0.000 3/37200 830.0 0.165 0.096 0.135 0.000 0.026 0.000 3/37200 840.0 0.163 0.095 0.134 0.000 0.026 0.000 3/37200 850.0 0.162 0.093 0.132 0.000 0.025 0.000 3/37200 860.0 0.160 0.092 0.131 0.000 0.025 0.000 3/37200 870.0 0.158 0.091 0.129 0.000 0.025 0.000 3/37200 880.0 0.156 0.090 0.128 0.000 0.025 0.000 3/37200 890.0 0.155 0.089 0.127 0.000 0.024 0.000 3/37200 900.0 0.153 0.089 0.125 0.000 0.024 0.000 3/37200 910.0 0.151 0.088 0.124 0.000 0.024 0.000 3/37200 920.0 0.150 0.087 0.123 0.000 0.024 0.000 3/37200 930.0 0.148 0.086 0.122 0.000 0.023 0.000 3/37200 940.0 0.147 0.085 0.120 0.000 0.023 0.000 3/37200 950.0 0.145 0.084 0.119 0.000 0.023 0.000 3/37200 960.0 0.144 0.083 0.118 0.000 0.023 0.000 3/37200 970.0 0.142 0.082 0.117 0.000 0.022 0.000 3/37200 980.0 0.141 0.082 0.116 0.000 0.022 0.000 3/37200 990.0 0.139 0.081 0.115 0.000 0.022 0.000 3/37200 1000.0 0.138 0.080 0.114 0.000 0.022 0.000 3/37200 Thermal conductivity related properties were written into "kappa-m10210.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:21:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|