----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:25:49]------------------------- 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: [1 2 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 10.216793070001327 0.000000000000000 0.000000000000000 b 0.000000000000000 8.827557319999999 0.000000000000000 c -7.056427239046479 0.000000000000000 10.665950671613352 Atomic positions (fractional): *1 Cs 0.22099295269892 0.93630348550492 0.04097661969474 132.905 2 Cs 0.77900704730108 0.43630348550492 0.45902338030526 132.905 3 Cs 0.77900704730108 0.06369651449508 0.95902338030526 132.905 4 Cs 0.22099295269892 0.56369651449508 0.54097661969474 132.905 *5 Er 0.31524838223059 0.27342779997530 0.81819134525784 167.259 6 Er 0.31524838223059 0.22657220002470 0.31819134525784 167.259 7 Er 0.68475161776941 0.77342779997530 0.68180865474216 167.259 8 Er 0.68475161776941 0.72657220002470 0.18180865474216 167.259 *9 P 0.80013655881343 0.88766010950771 0.47270116858222 30.974 *10 P 0.66911606372643 0.32830151374910 0.12831879131760 30.974 11 P 0.66911606372643 0.17169848625090 0.62831879131760 30.974 *12 P 0.39222594805149 0.90988601845786 0.74394439129788 30.974 *13 P 0.97054858191264 0.02637774190255 0.71364479982832 30.974 14 P 0.33088393627357 0.67169848625090 0.87168120868240 30.974 15 P 0.33088393627357 0.82830151374910 0.37168120868240 30.974 16 P 0.19986344118657 0.38766010950771 0.02729883141778 30.974 17 P 0.39222594805149 0.59011398154214 0.24394439129788 30.974 18 P 0.02945141808736 0.52637774190255 0.78635520017168 30.974 19 P 0.60777405194851 0.09011398154214 0.25605560870212 30.974 20 P 0.97054858191264 0.47362225809745 0.21364479982832 30.974 21 P 0.19986344118657 0.11233989049229 0.52729883141778 30.974 22 P 0.02945141808736 0.97362225809745 0.28635520017168 30.974 23 P 0.60777405194851 0.40988601845786 0.75605560870212 30.974 24 P 0.80013655881343 0.61233989049229 0.97270116858222 30.974 *25 O 0.83597909824273 0.78552328559742 0.39807641215546 15.999 *26 O 0.15971718578496 0.65929283797296 0.85058350260398 15.999 *27 O 0.70351671212069 0.67378464148925 0.01791333128071 15.999 28 O 0.84028281421504 0.15929283797295 0.64941649739602 15.999 29 O 0.84028281421504 0.34070716202704 0.14941649739602 15.999 *30 O 0.28382165650826 0.79159702833710 0.76013950374652 15.999 *31 O 0.56430909109095 0.25584714991239 0.00321315763753 15.999 *32 O 0.47298461339004 0.17545674635013 0.24242410972308 15.999 *33 O 0.42424688919641 0.45443237737498 0.32469001023800 15.999 34 O 0.42424688919641 0.04556762262502 0.82469001023800 15.999 35 O 0.43569090890905 0.75584714991239 0.49678684236247 15.999 *36 O 0.12921780688207 0.09595936479739 0.79497305260045 15.999 37 O 0.57575311080359 0.54556762262502 0.67530998976200 15.999 *38 O 0.07939353185810 0.08551007281714 0.22625562768984 15.999 *39 O 0.27141904006214 0.95320424204927 0.59936521918392 15.999 40 O 0.29648328787931 0.17378464148925 0.48208666871929 15.999 41 O 0.28382165650826 0.70840297166290 0.26013950374652 15.999 *42 O 0.37424435784423 0.97414220109444 0.33900486212882 15.999 *43 O 0.03897284212788 0.04773194566854 0.40629900603891 15.999 44 O 0.92060646814190 0.91448992718286 0.77374437231016 15.999 45 O 0.71617834349174 0.20840297166290 0.23986049625348 15.999 46 O 0.29648328787931 0.32621535851075 0.98208666871929 15.999 47 O 0.27141904006214 0.54679575795073 0.09936521918392 15.999 48 O 0.15971718578496 0.84070716202704 0.35058350260398 15.999 49 O 0.47298461339004 0.32454325364987 0.74242410972308 15.999 50 O 0.52701538660995 0.67545674635013 0.25757589027692 15.999 51 O 0.52701538660995 0.82454325364987 0.75757589027692 15.999 52 O 0.03897284212788 0.45226805433146 0.90629900603891 15.999 53 O 0.70351671212069 0.82621535851075 0.51791333128071 15.999 54 O 0.57575311080359 0.95443237737498 0.17530998976200 15.999 55 O 0.62575564215577 0.02585779890556 0.66099513787118 15.999 56 O 0.96102715787212 0.95226805433146 0.59370099396109 15.999 57 O 0.92060646814190 0.58551007281714 0.27374437231016 15.999 58 O 0.56430909109095 0.24415285008761 0.50321315763753 15.999 59 O 0.72858095993786 0.04679575795073 0.40063478081608 15.999 60 O 0.43569090890905 0.74415285008761 0.99678684236247 15.999 61 O 0.83597909824273 0.71447671440258 0.89807641215546 15.999 62 O 0.16402090175727 0.21447671440259 0.60192358784454 15.999 63 O 0.87078219311793 0.90404063520261 0.20502694739955 15.999 64 O 0.62575564215577 0.47414220109444 0.16099513787118 15.999 65 O 0.87078219311793 0.59595936479739 0.70502694739955 15.999 66 O 0.71617834349174 0.29159702833710 0.73986049625348 15.999 67 O 0.16402090175727 0.28552328559742 0.10192358784454 15.999 68 O 0.07939353185810 0.41448992718286 0.72625562768984 15.999 69 O 0.12921780688207 0.40404063520261 0.29497305260045 15.999 70 O 0.37424435784423 0.52585779890556 0.83900486212882 15.999 71 O 0.72858095993786 0.45320424204927 0.90063478081608 15.999 72 O 0.96102715787212 0.54773194566854 0.09370099396109 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.216793070001327 0.000000000000000 0.000000000000000 b 0.000000000000000 8.827557319999999 0.000000000000000 c -7.056427239046479 0.000000000000000 10.665950671613352 Atomic positions (fractional): *1 Cs 0.22099295269892 0.93630348550492 0.04097661969474 132.905 > 1 2 Cs 0.77900704730108 0.43630348550492 0.45902338030526 132.905 > 2 3 Cs 0.77900704730108 0.06369651449508 0.95902338030526 132.905 > 3 4 Cs 0.22099295269892 0.56369651449508 0.54097661969474 132.905 > 4 *5 Er 0.31524838223059 0.27342779997530 0.81819134525784 167.259 > 5 6 Er 0.31524838223059 0.22657220002470 0.31819134525784 167.259 > 6 7 Er 0.68475161776941 0.77342779997530 0.68180865474216 167.259 > 7 8 Er 0.68475161776941 0.72657220002470 0.18180865474216 167.259 > 8 *9 P 0.80013655881343 0.88766010950771 0.47270116858222 30.974 > 9 *10 P 0.66911606372643 0.32830151374910 0.12831879131760 30.974 > 10 11 P 0.66911606372643 0.17169848625090 0.62831879131760 30.974 > 11 *12 P 0.39222594805149 0.90988601845786 0.74394439129788 30.974 > 12 *13 P 0.97054858191264 0.02637774190255 0.71364479982832 30.974 > 13 14 P 0.33088393627357 0.67169848625090 0.87168120868240 30.974 > 14 15 P 0.33088393627357 0.82830151374910 0.37168120868240 30.974 > 15 16 P 0.19986344118657 0.38766010950771 0.02729883141778 30.974 > 16 17 P 0.39222594805149 0.59011398154214 0.24394439129788 30.974 > 17 18 P 0.02945141808736 0.52637774190255 0.78635520017168 30.974 > 18 19 P 0.60777405194851 0.09011398154214 0.25605560870212 30.974 > 19 20 P 0.97054858191264 0.47362225809745 0.21364479982832 30.974 > 20 21 P 0.19986344118657 0.11233989049229 0.52729883141778 30.974 > 21 22 P 0.02945141808736 0.97362225809745 0.28635520017168 30.974 > 22 23 P 0.60777405194851 0.40988601845786 0.75605560870212 30.974 > 23 24 P 0.80013655881343 0.61233989049229 0.97270116858222 30.974 > 24 *25 O 0.83597909824273 0.78552328559742 0.39807641215546 15.999 > 25 *26 O 0.15971718578496 0.65929283797296 0.85058350260398 15.999 > 26 *27 O 0.70351671212069 0.67378464148925 0.01791333128071 15.999 > 27 28 O 0.84028281421504 0.15929283797295 0.64941649739602 15.999 > 28 29 O 0.84028281421504 0.34070716202704 0.14941649739602 15.999 > 29 *30 O 0.28382165650826 0.79159702833710 0.76013950374652 15.999 > 30 *31 O 0.56430909109095 0.25584714991239 0.00321315763753 15.999 > 31 *32 O 0.47298461339004 0.17545674635013 0.24242410972308 15.999 > 32 *33 O 0.42424688919641 0.45443237737498 0.32469001023800 15.999 > 33 34 O 0.42424688919641 0.04556762262502 0.82469001023800 15.999 > 34 35 O 0.43569090890905 0.75584714991239 0.49678684236247 15.999 > 35 *36 O 0.12921780688207 0.09595936479739 0.79497305260045 15.999 > 36 37 O 0.57575311080359 0.54556762262502 0.67530998976200 15.999 > 37 *38 O 0.07939353185810 0.08551007281714 0.22625562768984 15.999 > 38 *39 O 0.27141904006214 0.95320424204927 0.59936521918392 15.999 > 39 40 O 0.29648328787931 0.17378464148925 0.48208666871929 15.999 > 40 41 O 0.28382165650826 0.70840297166290 0.26013950374652 15.999 > 41 *42 O 0.37424435784423 0.97414220109444 0.33900486212882 15.999 > 42 *43 O 0.03897284212788 0.04773194566854 0.40629900603891 15.999 > 43 44 O 0.92060646814190 0.91448992718286 0.77374437231016 15.999 > 44 45 O 0.71617834349174 0.20840297166290 0.23986049625348 15.999 > 45 46 O 0.29648328787931 0.32621535851075 0.98208666871929 15.999 > 46 47 O 0.27141904006214 0.54679575795073 0.09936521918392 15.999 > 47 48 O 0.15971718578496 0.84070716202704 0.35058350260398 15.999 > 48 49 O 0.47298461339004 0.32454325364987 0.74242410972308 15.999 > 49 50 O 0.52701538660995 0.67545674635013 0.25757589027692 15.999 > 50 51 O 0.52701538660995 0.82454325364987 0.75757589027692 15.999 > 51 52 O 0.03897284212788 0.45226805433146 0.90629900603891 15.999 > 52 53 O 0.70351671212069 0.82621535851075 0.51791333128071 15.999 > 53 54 O 0.57575311080359 0.95443237737498 0.17530998976200 15.999 > 54 55 O 0.62575564215577 0.02585779890556 0.66099513787118 15.999 > 55 56 O 0.96102715787212 0.95226805433146 0.59370099396109 15.999 > 56 57 O 0.92060646814190 0.58551007281714 0.27374437231016 15.999 > 57 58 O 0.56430909109095 0.24415285008761 0.50321315763753 15.999 > 58 59 O 0.72858095993786 0.04679575795073 0.40063478081608 15.999 > 59 60 O 0.43569090890905 0.74415285008761 0.99678684236247 15.999 > 60 61 O 0.83597909824273 0.71447671440258 0.89807641215546 15.999 > 61 62 O 0.16402090175727 0.21447671440259 0.60192358784454 15.999 > 62 63 O 0.87078219311793 0.90404063520261 0.20502694739955 15.999 > 63 64 O 0.62575564215577 0.47414220109444 0.16099513787118 15.999 > 64 65 O 0.87078219311793 0.59595936479739 0.70502694739955 15.999 > 65 66 O 0.71617834349174 0.29159702833710 0.73986049625348 15.999 > 66 67 O 0.16402090175727 0.28552328559742 0.10192358784454 15.999 > 67 68 O 0.07939353185810 0.41448992718286 0.72625562768984 15.999 > 68 69 O 0.12921780688207 0.40404063520261 0.29497305260045 15.999 > 69 70 O 0.37424435784423 0.52585779890556 0.83900486212882 15.999 > 70 71 O 0.72858095993786 0.45320424204927 0.90063478081608 15.999 > 71 72 O 0.96102715787212 0.54773194566854 0.09370099396109 15.999 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.216793070001327 0.000000000000000 0.000000000000000 b 0.000000000000000 17.655114639999997 0.000000000000000 c -7.056427239046479 0.000000000000000 10.665950671613352 Atomic positions (fractional): *1 Cs 0.22099295269892 0.46815174275246 0.04097661969474 132.905 > 1 2 Cs 0.22099295269892 0.96815174275246 0.04097661969474 132.905 > 1 3 Cs 0.77900704730108 0.21815174275246 0.45902338030526 132.905 > 2 4 Cs 0.77900704730108 0.71815174275246 0.45902338030526 132.905 > 2 5 Cs 0.77900704730108 0.03184825724754 0.95902338030526 132.905 > 3 6 Cs 0.77900704730108 0.53184825724754 0.95902338030526 132.905 > 3 7 Cs 0.22099295269892 0.28184825724754 0.54097661969474 132.905 > 4 8 Cs 0.22099295269892 0.78184825724754 0.54097661969474 132.905 > 4 *9 Er 0.31524838223059 0.13671389998765 0.81819134525784 167.259 > 5 10 Er 0.31524838223059 0.63671389998765 0.81819134525784 167.259 > 5 11 Er 0.31524838223059 0.11328610001235 0.31819134525784 167.259 > 6 12 Er 0.31524838223059 0.61328610001235 0.31819134525784 167.259 > 6 13 Er 0.68475161776941 0.38671389998765 0.68180865474216 167.259 > 7 14 Er 0.68475161776941 0.88671389998765 0.68180865474216 167.259 > 7 15 Er 0.68475161776941 0.36328610001235 0.18180865474216 167.259 > 8 16 Er 0.68475161776941 0.86328610001235 0.18180865474216 167.259 > 8 *17 P 0.80013655881343 0.44383005475385 0.47270116858222 30.974 > 9 18 P 0.80013655881343 0.94383005475385 0.47270116858222 30.974 > 9 *19 P 0.66911606372643 0.16415075687455 0.12831879131760 30.974 > 10 20 P 0.66911606372643 0.66415075687455 0.12831879131760 30.974 > 10 21 P 0.66911606372643 0.08584924312545 0.62831879131760 30.974 > 11 22 P 0.66911606372643 0.58584924312545 0.62831879131760 30.974 > 11 *23 P 0.39222594805149 0.45494300922893 0.74394439129788 30.974 > 12 24 P 0.39222594805149 0.95494300922893 0.74394439129788 30.974 > 12 *25 P 0.97054858191264 0.01318887095128 0.71364479982832 30.974 > 13 26 P 0.97054858191264 0.51318887095128 0.71364479982832 30.974 > 13 27 P 0.33088393627357 0.33584924312545 0.87168120868240 30.974 > 14 28 P 0.33088393627357 0.83584924312545 0.87168120868240 30.974 > 14 29 P 0.33088393627357 0.41415075687455 0.37168120868240 30.974 > 15 30 P 0.33088393627357 0.91415075687455 0.37168120868240 30.974 > 15 31 P 0.19986344118657 0.19383005475385 0.02729883141778 30.974 > 16 32 P 0.19986344118657 0.69383005475385 0.02729883141778 30.974 > 16 33 P 0.39222594805149 0.29505699077107 0.24394439129788 30.974 > 17 34 P 0.39222594805149 0.79505699077107 0.24394439129788 30.974 > 17 35 P 0.02945141808736 0.26318887095128 0.78635520017168 30.974 > 18 36 P 0.02945141808736 0.76318887095128 0.78635520017168 30.974 > 18 37 P 0.60777405194851 0.04505699077107 0.25605560870212 30.974 > 19 38 P 0.60777405194851 0.54505699077107 0.25605560870212 30.974 > 19 39 P 0.97054858191264 0.23681112904872 0.21364479982832 30.974 > 20 40 P 0.97054858191264 0.73681112904872 0.21364479982832 30.974 > 20 41 P 0.19986344118657 0.05616994524615 0.52729883141778 30.974 > 21 42 P 0.19986344118657 0.55616994524615 0.52729883141778 30.974 > 21 43 P 0.02945141808736 0.48681112904872 0.28635520017168 30.974 > 22 44 P 0.02945141808736 0.98681112904872 0.28635520017168 30.974 > 22 45 P 0.60777405194851 0.20494300922893 0.75605560870212 30.974 > 23 46 P 0.60777405194851 0.70494300922893 0.75605560870212 30.974 > 23 47 P 0.80013655881343 0.30616994524615 0.97270116858222 30.974 > 24 48 P 0.80013655881343 0.80616994524615 0.97270116858222 30.974 > 24 *49 O 0.83597909824273 0.39276164279871 0.39807641215546 15.999 > 25 50 O 0.83597909824273 0.89276164279871 0.39807641215546 15.999 > 25 *51 O 0.15971718578496 0.32964641898648 0.85058350260398 15.999 > 26 52 O 0.15971718578496 0.82964641898648 0.85058350260398 15.999 > 26 *53 O 0.70351671212069 0.33689232074463 0.01791333128071 15.999 > 27 54 O 0.70351671212069 0.83689232074463 0.01791333128071 15.999 > 27 55 O 0.84028281421504 0.07964641898648 0.64941649739602 15.999 > 28 56 O 0.84028281421504 0.57964641898648 0.64941649739602 15.999 > 28 57 O 0.84028281421504 0.17035358101352 0.14941649739602 15.999 > 29 58 O 0.84028281421504 0.67035358101352 0.14941649739602 15.999 > 29 *59 O 0.28382165650826 0.39579851416855 0.76013950374652 15.999 > 30 60 O 0.28382165650826 0.89579851416855 0.76013950374652 15.999 > 30 *61 O 0.56430909109095 0.12792357495620 0.00321315763753 15.999 > 31 62 O 0.56430909109095 0.62792357495620 0.00321315763753 15.999 > 31 *63 O 0.47298461339004 0.08772837317507 0.24242410972308 15.999 > 32 64 O 0.47298461339004 0.58772837317507 0.24242410972308 15.999 > 32 *65 O 0.42424688919641 0.22721618868749 0.32469001023800 15.999 > 33 66 O 0.42424688919641 0.72721618868749 0.32469001023800 15.999 > 33 67 O 0.42424688919641 0.02278381131251 0.82469001023800 15.999 > 34 68 O 0.42424688919641 0.52278381131251 0.82469001023800 15.999 > 34 69 O 0.43569090890905 0.37792357495620 0.49678684236247 15.999 > 35 70 O 0.43569090890905 0.87792357495620 0.49678684236247 15.999 > 35 *71 O 0.12921780688207 0.04797968239870 0.79497305260045 15.999 > 36 72 O 0.12921780688207 0.54797968239869 0.79497305260045 15.999 > 36 73 O 0.57575311080359 0.27278381131251 0.67530998976200 15.999 > 37 74 O 0.57575311080359 0.77278381131251 0.67530998976200 15.999 > 37 *75 O 0.07939353185810 0.04275503640857 0.22625562768984 15.999 > 38 76 O 0.07939353185810 0.54275503640857 0.22625562768984 15.999 > 38 *77 O 0.27141904006214 0.47660212102463 0.59936521918392 15.999 > 39 78 O 0.27141904006214 0.97660212102463 0.59936521918392 15.999 > 39 79 O 0.29648328787931 0.08689232074463 0.48208666871929 15.999 > 40 80 O 0.29648328787931 0.58689232074463 0.48208666871929 15.999 > 40 81 O 0.28382165650826 0.35420148583145 0.26013950374652 15.999 > 41 82 O 0.28382165650826 0.85420148583145 0.26013950374652 15.999 > 41 *83 O 0.37424435784423 0.48707110054722 0.33900486212882 15.999 > 42 84 O 0.37424435784423 0.98707110054722 0.33900486212882 15.999 > 42 *85 O 0.03897284212788 0.02386597283427 0.40629900603891 15.999 > 43 86 O 0.03897284212788 0.52386597283427 0.40629900603891 15.999 > 43 87 O 0.92060646814190 0.45724496359143 0.77374437231016 15.999 > 44 88 O 0.92060646814190 0.95724496359143 0.77374437231016 15.999 > 44 89 O 0.71617834349174 0.10420148583145 0.23986049625348 15.999 > 45 90 O 0.71617834349174 0.60420148583145 0.23986049625348 15.999 > 45 91 O 0.29648328787931 0.16310767925537 0.98208666871929 15.999 > 46 92 O 0.29648328787931 0.66310767925537 0.98208666871929 15.999 > 46 93 O 0.27141904006214 0.27339787897537 0.09936521918392 15.999 > 47 94 O 0.27141904006214 0.77339787897537 0.09936521918392 15.999 > 47 95 O 0.15971718578496 0.42035358101352 0.35058350260398 15.999 > 48 96 O 0.15971718578496 0.92035358101352 0.35058350260398 15.999 > 48 97 O 0.47298461339004 0.16227162682493 0.74242410972308 15.999 > 49 98 O 0.47298461339004 0.66227162682493 0.74242410972308 15.999 > 49 99 O 0.52701538660995 0.33772837317507 0.25757589027692 15.999 > 50 100 O 0.52701538660995 0.83772837317507 0.25757589027692 15.999 > 50 101 O 0.52701538660995 0.41227162682493 0.75757589027692 15.999 > 51 102 O 0.52701538660995 0.91227162682493 0.75757589027692 15.999 > 51 103 O 0.03897284212788 0.22613402716573 0.90629900603891 15.999 > 52 104 O 0.03897284212788 0.72613402716573 0.90629900603891 15.999 > 52 105 O 0.70351671212069 0.41310767925537 0.51791333128071 15.999 > 53 106 O 0.70351671212069 0.91310767925537 0.51791333128071 15.999 > 53 107 O 0.57575311080359 0.47721618868749 0.17530998976200 15.999 > 54 108 O 0.57575311080359 0.97721618868749 0.17530998976200 15.999 > 54 109 O 0.62575564215577 0.01292889945278 0.66099513787118 15.999 > 55 110 O 0.62575564215577 0.51292889945278 0.66099513787118 15.999 > 55 111 O 0.96102715787212 0.47613402716573 0.59370099396109 15.999 > 56 112 O 0.96102715787212 0.97613402716573 0.59370099396109 15.999 > 56 113 O 0.92060646814190 0.29275503640857 0.27374437231016 15.999 > 57 114 O 0.92060646814190 0.79275503640857 0.27374437231016 15.999 > 57 115 O 0.56430909109095 0.12207642504380 0.50321315763753 15.999 > 58 116 O 0.56430909109095 0.62207642504380 0.50321315763753 15.999 > 58 117 O 0.72858095993786 0.02339787897537 0.40063478081608 15.999 > 59 118 O 0.72858095993786 0.52339787897537 0.40063478081608 15.999 > 59 119 O 0.43569090890905 0.37207642504380 0.99678684236247 15.999 > 60 120 O 0.43569090890905 0.87207642504380 0.99678684236247 15.999 > 60 121 O 0.83597909824273 0.35723835720129 0.89807641215546 15.999 > 61 122 O 0.83597909824273 0.85723835720129 0.89807641215546 15.999 > 61 123 O 0.16402090175727 0.10723835720129 0.60192358784454 15.999 > 62 124 O 0.16402090175727 0.60723835720129 0.60192358784454 15.999 > 62 125 O 0.87078219311793 0.45202031760131 0.20502694739955 15.999 > 63 126 O 0.87078219311793 0.95202031760131 0.20502694739955 15.999 > 63 127 O 0.62575564215577 0.23707110054722 0.16099513787118 15.999 > 64 128 O 0.62575564215577 0.73707110054722 0.16099513787118 15.999 > 64 129 O 0.87078219311793 0.29797968239869 0.70502694739955 15.999 > 65 130 O 0.87078219311793 0.79797968239869 0.70502694739955 15.999 > 65 131 O 0.71617834349174 0.14579851416855 0.73986049625348 15.999 > 66 132 O 0.71617834349174 0.64579851416855 0.73986049625348 15.999 > 66 133 O 0.16402090175727 0.14276164279871 0.10192358784454 15.999 > 67 134 O 0.16402090175727 0.64276164279871 0.10192358784454 15.999 > 67 135 O 0.07939353185810 0.20724496359143 0.72625562768984 15.999 > 68 136 O 0.07939353185810 0.70724496359143 0.72625562768984 15.999 > 68 137 O 0.12921780688207 0.20202031760131 0.29497305260045 15.999 > 69 138 O 0.12921780688207 0.70202031760131 0.29497305260045 15.999 > 69 139 O 0.37424435784423 0.26292889945278 0.83900486212882 15.999 > 70 140 O 0.37424435784423 0.76292889945278 0.83900486212882 15.999 > 70 141 O 0.72858095993786 0.22660212102463 0.90063478081608 15.999 > 71 142 O 0.72858095993786 0.72660212102463 0.90063478081608 15.999 > 71 143 O 0.96102715787212 0.27386597283427 0.09370099396109 15.999 > 72 144 O 0.96102715787212 0.77386597283427 0.09370099396109 15.999 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8133725 0.0000000 -0.0213695 0.0000000 2.8526667 0.0000000 -0.0213685 0.0000000 2.8604198 -------------------------- Born effective charges -------------------------- 1 Cs 1.2555228 -0.0470360 0.0793977 -0.0622420 1.3680622 0.0126502 0.0454247 0.0463056 1.5969842 2 Cs 1.2555228 0.0470360 0.0793977 0.0622420 1.3680622 -0.0126502 0.0454247 -0.0463056 1.5969842 3 Cs 1.2555228 -0.0470360 0.0793977 -0.0622420 1.3680622 0.0126502 0.0454247 0.0463056 1.5969842 4 Cs 1.2555228 0.0470360 0.0793977 0.0622420 1.3680622 -0.0126502 0.0454247 -0.0463056 1.5969842 5 Er 4.2976327 -0.1979954 -0.3757317 -0.0518347 4.2985616 0.4899027 0.0136575 0.6421049 3.8602488 6 Er 4.2976327 0.1979954 -0.3757317 0.0518347 4.2985616 -0.4899027 0.0136575 -0.6421049 3.8602488 7 Er 4.2976327 0.1979954 -0.3757317 0.0518347 4.2985616 -0.4899027 0.0136575 -0.6421049 3.8602488 8 Er 4.2976327 -0.1979954 -0.3757317 -0.0518347 4.2985616 0.4899027 0.0136575 0.6421049 3.8602488 9 P 3.0398452 -0.0218556 -0.3918722 0.1096240 3.4624829 0.3111634 -0.2450331 -0.2504072 4.0455626 10 P 3.4632818 0.4688108 -0.2340018 0.4143436 3.6568231 -0.3711984 0.0280304 0.0441914 3.4567088 11 P 3.4632818 -0.4688108 -0.2340018 -0.4143436 3.6568231 0.3711984 0.0280304 -0.0441914 3.4567088 12 P 3.4981534 -0.0934767 -0.0217872 0.3621802 3.9662869 -0.3965359 -0.3232419 -0.3591716 3.4353172 13 P 3.5644604 -0.1268111 0.6448276 0.0764735 3.2039032 0.1407979 -0.0167423 0.1879368 3.5531490 14 P 3.4632818 0.4688108 -0.2340018 0.4143436 3.6568231 -0.3711984 0.0280304 0.0441914 3.4567088 15 P 3.4632818 -0.4688108 -0.2340018 -0.4143436 3.6568231 0.3711984 0.0280304 -0.0441914 3.4567088 16 P 3.0398452 0.0218556 -0.3918722 -0.1096240 3.4624829 -0.3111634 -0.2450331 0.2504072 4.0455626 17 P 3.4981534 0.0934767 -0.0217872 -0.3621802 3.9662869 0.3965359 -0.3232419 0.3591716 3.4353172 18 P 3.5644604 0.1268111 0.6448276 -0.0764735 3.2039032 -0.1407979 -0.0167423 -0.1879368 3.5531490 19 P 3.4981534 -0.0934767 -0.0217872 0.3621802 3.9662869 -0.3965359 -0.3232419 -0.3591716 3.4353172 20 P 3.5644604 0.1268111 0.6448276 -0.0764735 3.2039032 -0.1407979 -0.0167423 -0.1879368 3.5531490 21 P 3.0398452 -0.0218556 -0.3918722 0.1096240 3.4624829 0.3111634 -0.2450331 -0.2504072 4.0455626 22 P 3.5644604 -0.1268111 0.6448276 0.0764735 3.2039032 0.1407979 -0.0167423 0.1879368 3.5531490 23 P 3.4981534 0.0934767 -0.0217872 -0.3621802 3.9662869 0.3965359 -0.3232419 0.3591716 3.4353172 24 P 3.0398452 0.0218556 -0.3918722 -0.1096240 3.4624829 -0.3111634 -0.2450331 0.2504072 4.0455626 25 O -1.3172882 0.2629269 0.4625962 0.2975421 -1.5255378 -0.5673222 0.3651674 -0.3977635 -1.8882278 26 O -2.4900447 -0.6881091 -0.5782042 -0.7162084 -1.5583300 -0.4029270 -0.3687514 -0.3159278 -1.0866073 27 O -1.8846236 0.3181593 0.6263901 0.4222816 -1.2170552 -0.1478045 0.6817622 -0.2063797 -1.6902569 28 O -2.4900447 0.6881091 -0.5782042 0.7162084 -1.5583300 0.4029270 -0.3687514 0.3159278 -1.0866073 29 O -2.4900447 -0.6881091 -0.5782042 -0.7162084 -1.5583300 -0.4029270 -0.3687514 -0.3159278 -1.0866073 30 O -1.6052368 -0.8561028 0.5147024 -0.9876477 -2.3292625 0.8280595 0.5068886 0.7349364 -1.5552160 31 O -1.2749810 -0.0103093 -0.3227395 0.0154037 -1.1917593 -0.2175014 -0.3399313 -0.3826577 -2.2472925 32 O -2.2944886 0.4983464 0.1359529 0.3829980 -1.4144699 -0.0309960 0.1084603 0.0057763 -1.1167969 33 O -1.3456495 -0.4266519 0.0173127 -0.4284910 -2.3271249 0.3837682 0.0553957 0.4486102 -1.2697781 34 O -1.3456495 0.4266519 0.0173127 0.4284910 -2.3271249 -0.3837682 0.0553957 -0.4486102 -1.2697781 35 O -1.2749810 0.0103093 -0.3227395 -0.0154037 -1.1917593 0.2175014 -0.3399313 0.3826577 -2.2472925 36 O -1.9329542 -0.6772128 -0.4894052 -0.6377605 -1.4641619 -0.2477021 -0.4849782 -0.3348950 -1.4716286 37 O -1.3456495 -0.4266519 0.0173127 -0.4284910 -2.3271249 0.3837682 0.0553957 0.4486102 -1.2697781 38 O -1.6666645 -0.4772799 -0.1119735 -0.5805607 -1.5221531 0.0762431 0.0911585 0.1863908 -1.3931784 39 O -0.8592665 0.2209492 -0.1122279 0.2337620 -1.8956856 0.9119214 -0.2033647 1.0636562 -2.5084382 40 O -1.8846236 -0.3181593 0.6263901 -0.4222816 -1.2170552 0.1478045 0.6817622 0.2063797 -1.6902569 41 O -1.6052368 0.8561028 0.5147024 0.9876477 -2.3292625 -0.8280595 0.5068886 -0.7349364 -1.5552160 42 O -1.1924284 -0.1267036 0.1546753 -0.1633843 -2.3352869 0.2314313 0.0812223 0.2209909 -1.1591458 43 O -1.2552704 -0.0435407 0.0020882 -0.0608960 -1.1752926 -0.7796704 0.0048752 -0.8004689 -2.5614042 44 O -1.6666645 -0.4772799 -0.1119735 -0.5805607 -1.5221531 0.0762431 0.0911585 0.1863908 -1.3931784 45 O -1.6052368 -0.8561028 0.5147024 -0.9876477 -2.3292625 0.8280595 0.5068886 0.7349364 -1.5552160 46 O -1.8846236 0.3181593 0.6263901 0.4222816 -1.2170552 -0.1478045 0.6817622 -0.2063797 -1.6902569 47 O -0.8592665 -0.2209492 -0.1122279 -0.2337620 -1.8956856 -0.9119214 -0.2033647 -1.0636562 -2.5084382 48 O -2.4900447 0.6881091 -0.5782042 0.7162084 -1.5583300 0.4029270 -0.3687514 0.3159278 -1.0866073 49 O -2.2944886 -0.4983464 0.1359529 -0.3829980 -1.4144699 0.0309960 0.1084603 -0.0057763 -1.1167969 50 O -2.2944886 -0.4983464 0.1359529 -0.3829980 -1.4144699 0.0309960 0.1084603 -0.0057763 -1.1167969 51 O -2.2944886 0.4983464 0.1359529 0.3829980 -1.4144699 -0.0309960 0.1084603 0.0057763 -1.1167969 52 O -1.2552704 0.0435407 0.0020882 0.0608960 -1.1752926 0.7796704 0.0048752 0.8004689 -2.5614042 53 O -1.8846236 -0.3181593 0.6263901 -0.4222816 -1.2170552 0.1478045 0.6817622 0.2063797 -1.6902569 54 O -1.3456495 0.4266519 0.0173127 0.4284910 -2.3271249 -0.3837682 0.0553957 -0.4486102 -1.2697781 55 O -1.1924284 -0.1267036 0.1546753 -0.1633843 -2.3352869 0.2314313 0.0812223 0.2209909 -1.1591458 56 O -1.2552704 -0.0435407 0.0020882 -0.0608960 -1.1752926 -0.7796704 0.0048752 -0.8004689 -2.5614042 57 O -1.6666645 0.4772799 -0.1119735 0.5805607 -1.5221531 -0.0762431 0.0911585 -0.1863908 -1.3931784 58 O -1.2749810 0.0103093 -0.3227395 -0.0154037 -1.1917593 0.2175014 -0.3399313 0.3826577 -2.2472925 59 O -0.8592665 0.2209492 -0.1122279 0.2337620 -1.8956856 0.9119214 -0.2033647 1.0636562 -2.5084382 60 O -1.2749810 -0.0103093 -0.3227395 0.0154037 -1.1917593 -0.2175014 -0.3399313 -0.3826577 -2.2472925 61 O -1.3172882 -0.2629269 0.4625962 -0.2975421 -1.5255378 0.5673222 0.3651674 0.3977635 -1.8882278 62 O -1.3172882 0.2629269 0.4625962 0.2975421 -1.5255378 -0.5673222 0.3651674 -0.3977635 -1.8882278 63 O -1.9329542 -0.6772128 -0.4894052 -0.6377605 -1.4641619 -0.2477021 -0.4849782 -0.3348950 -1.4716286 64 O -1.1924284 0.1267036 0.1546753 0.1633843 -2.3352869 -0.2314313 0.0812223 -0.2209909 -1.1591458 65 O -1.9329542 0.6772128 -0.4894052 0.6377605 -1.4641619 0.2477021 -0.4849782 0.3348950 -1.4716286 66 O -1.6052368 0.8561028 0.5147024 0.9876477 -2.3292625 -0.8280595 0.5068886 -0.7349364 -1.5552160 67 O -1.3172882 -0.2629269 0.4625962 -0.2975421 -1.5255378 0.5673222 0.3651674 0.3977635 -1.8882278 68 O -1.6666645 0.4772799 -0.1119735 0.5805607 -1.5221531 -0.0762431 0.0911585 -0.1863908 -1.3931784 69 O -1.9329542 0.6772128 -0.4894052 0.6377605 -1.4641619 0.2477021 -0.4849782 0.3348950 -1.4716286 70 O -1.1924284 0.1267036 0.1546753 0.1633843 -2.3352869 -0.2314313 0.0812223 -0.2209909 -1.1591458 71 O -0.8592665 -0.2209492 -0.1122279 -0.2337620 -1.8956856 -0.9119214 -0.2033647 -1.0636562 -2.5084382 72 O -1.2552704 0.0435407 0.0020882 0.0608960 -1.1752926 0.7796704 0.0048752 0.8004689 -2.5614042 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11826 Number of blocks in projector: 11826 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 216 eigenvectors found. (2) Block: 500 / 592 (2) 224 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 40 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 158 (1) Compute compressed projector. (1) Use standard solver. (1) 122 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 216 eigenvectors found. (2) Block: 500 / 592 (2) 224 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 40 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 158 (1) Compute compressed projector. (1) Use standard solver. (1) 122 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. Tree of FC basis block matrices: - (11826, 11665), data: False |-- (1350, 1332), data: False |-- (1350, 32), data: (1350, 50) @ (50, 32) |-- (350, 332), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 32), data: (1350, 50) @ (50, 32) |-- (350, 332), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2556), data: False |-- (2592, 122), data: (2592, 158) @ (158, 122) |-- (592, 558), data: False |-- (592, 40), data: (592, 74) @ (74, 40) |-- (92, 78), data: True |-- (250, 224), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 215), data: True |-- (250, 217), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 470), data: False |-- (500, 27), data: (500, 57) @ (57, 27) |-- (250, 223), data: True |-- (250, 220), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), data: True |-- (2592, 2556), data: False |-- (2592, 122), data: (2592, 158) @ (158, 122) |-- (592, 558), data: False |-- (592, 40), data: (592, 74) @ (74, 40) |-- (92, 78), data: True |-- (250, 224), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 215), data: True |-- (250, 217), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 470), data: False |-- (500, 27), data: (500, 57) @ (57, 27) |-- (250, 223), data: True |-- (250, 220), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 2160 - Time: 4.645 Solver_block: 200 / 2160 - Time: 4.062 Solver_block: 300 / 2160 - Time: 3.861 Solver_block: 400 / 2160 - Time: 4.251 Solver_block: 500 / 2160 - Time: 4.105 Solver_block: 600 / 2160 - Time: 4.025 Solver_block: 700 / 2160 - Time: 3.971 Solver_block: 800 / 2160 - Time: 3.945 Solver_block: 900 / 2160 - Time: 3.564 Solver_block: 1000 / 2160 - Time: 4.632 Solver_block: 1100 / 2160 - Time: 4.041 Solver_block: 1200 / 2160 - Time: 4.061 Solver_block: 1300 / 2160 - Time: 4.090 Solver_block: 1400 / 2160 - Time: 3.929 Solver_block: 1500 / 2160 - Time: 4.048 Solver_block: 1600 / 2160 - Time: 4.004 Solver_block: 1700 / 2160 - Time: 4.033 Solver_block: 1800 / 2160 - Time: 3.648 Solver_block: 1900 / 2160 - Time: 4.265 Solver_block: 2000 / 2160 - Time: 4.214 Solver_block: 2100 / 2160 - Time: 4.334 Solver_block: 2160 / 2160 - Time: 2.639 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 91.450 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zy) 0.00000000 (zy) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11826 Number of blocks in projector: 11826 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 216 eigenvectors found. (2) Block: 500 / 592 (2) 224 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 40 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 158 (1) Compute compressed projector. (1) Use standard solver. (1) 122 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 216 eigenvectors found. (2) Block: 500 / 592 (2) 224 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 40 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 158 (1) Compute compressed projector. (1) Use standard solver. (1) 122 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. Tree of FC basis block matrices: - (11826, 11665), data: False |-- (1350, 1332), data: False |-- (1350, 32), data: (1350, 50) @ (50, 32) |-- (350, 332), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 32), data: (1350, 50) @ (50, 32) |-- (350, 332), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2556), data: False |-- (2592, 122), data: (2592, 158) @ (158, 122) |-- (592, 558), data: False |-- (592, 40), data: (592, 74) @ (74, 40) |-- (92, 78), data: True |-- (250, 224), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 215), data: True |-- (250, 217), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 470), data: False |-- (500, 27), data: (500, 57) @ (57, 27) |-- (250, 223), data: True |-- (250, 220), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), data: True |-- (2592, 2556), data: False |-- (2592, 122), data: (2592, 158) @ (158, 122) |-- (592, 558), data: False |-- (592, 40), data: (592, 74) @ (74, 40) |-- (92, 78), data: True |-- (250, 224), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 215), data: True |-- (250, 217), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 470), data: False |-- (500, 27), data: (500, 57) @ (57, 27) |-- (250, 223), data: True |-- (250, 220), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zy) -0.00000000 (zy) 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 17:29:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:29:21]------------------------- 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): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.216793070001327 0.000000000000000 0.000000000000000 b 0.000000000000000 8.827557319999999 0.000000000000000 c -7.056427239046479 0.000000000000000 10.665950671613352 Atomic positions (fractional): 1 Cs 0.22099295269892 0.93630348550492 0.04097661969474 132.905 2 Cs 0.77900704730108 0.43630348550492 0.45902338030526 132.905 3 Cs 0.77900704730108 0.06369651449508 0.95902338030526 132.905 4 Cs 0.22099295269892 0.56369651449508 0.54097661969474 132.905 5 Er 0.31524838223059 0.27342779997530 0.81819134525784 167.259 6 Er 0.31524838223059 0.22657220002470 0.31819134525784 167.259 7 Er 0.68475161776941 0.77342779997530 0.68180865474216 167.259 8 Er 0.68475161776941 0.72657220002470 0.18180865474216 167.259 9 P 0.80013655881343 0.88766010950771 0.47270116858222 30.974 10 P 0.66911606372643 0.32830151374910 0.12831879131760 30.974 11 P 0.66911606372643 0.17169848625090 0.62831879131760 30.974 12 P 0.39222594805149 0.90988601845786 0.74394439129788 30.974 13 P 0.97054858191264 0.02637774190255 0.71364479982832 30.974 14 P 0.33088393627357 0.67169848625090 0.87168120868240 30.974 15 P 0.33088393627357 0.82830151374910 0.37168120868240 30.974 16 P 0.19986344118657 0.38766010950771 0.02729883141778 30.974 17 P 0.39222594805149 0.59011398154214 0.24394439129788 30.974 18 P 0.02945141808736 0.52637774190255 0.78635520017168 30.974 19 P 0.60777405194851 0.09011398154214 0.25605560870212 30.974 20 P 0.97054858191264 0.47362225809745 0.21364479982832 30.974 21 P 0.19986344118657 0.11233989049229 0.52729883141778 30.974 22 P 0.02945141808736 0.97362225809745 0.28635520017168 30.974 23 P 0.60777405194851 0.40988601845786 0.75605560870212 30.974 24 P 0.80013655881343 0.61233989049229 0.97270116858222 30.974 25 O 0.83597909824273 0.78552328559742 0.39807641215546 15.999 26 O 0.15971718578496 0.65929283797296 0.85058350260398 15.999 27 O 0.70351671212069 0.67378464148925 0.01791333128071 15.999 28 O 0.84028281421504 0.15929283797295 0.64941649739602 15.999 29 O 0.84028281421504 0.34070716202704 0.14941649739602 15.999 30 O 0.28382165650826 0.79159702833710 0.76013950374652 15.999 31 O 0.56430909109095 0.25584714991239 0.00321315763753 15.999 32 O 0.47298461339004 0.17545674635013 0.24242410972308 15.999 33 O 0.42424688919641 0.45443237737498 0.32469001023800 15.999 34 O 0.42424688919641 0.04556762262502 0.82469001023800 15.999 35 O 0.43569090890905 0.75584714991239 0.49678684236247 15.999 36 O 0.12921780688207 0.09595936479739 0.79497305260045 15.999 37 O 0.57575311080359 0.54556762262502 0.67530998976200 15.999 38 O 0.07939353185810 0.08551007281714 0.22625562768984 15.999 39 O 0.27141904006214 0.95320424204927 0.59936521918392 15.999 40 O 0.29648328787931 0.17378464148925 0.48208666871929 15.999 41 O 0.28382165650826 0.70840297166290 0.26013950374652 15.999 42 O 0.37424435784423 0.97414220109444 0.33900486212882 15.999 43 O 0.03897284212788 0.04773194566854 0.40629900603891 15.999 44 O 0.92060646814190 0.91448992718286 0.77374437231016 15.999 45 O 0.71617834349174 0.20840297166290 0.23986049625348 15.999 46 O 0.29648328787931 0.32621535851075 0.98208666871929 15.999 47 O 0.27141904006214 0.54679575795073 0.09936521918392 15.999 48 O 0.15971718578496 0.84070716202704 0.35058350260398 15.999 49 O 0.47298461339004 0.32454325364987 0.74242410972308 15.999 50 O 0.52701538660995 0.67545674635013 0.25757589027692 15.999 51 O 0.52701538660995 0.82454325364987 0.75757589027692 15.999 52 O 0.03897284212788 0.45226805433146 0.90629900603891 15.999 53 O 0.70351671212069 0.82621535851075 0.51791333128071 15.999 54 O 0.57575311080359 0.95443237737498 0.17530998976200 15.999 55 O 0.62575564215577 0.02585779890556 0.66099513787118 15.999 56 O 0.96102715787212 0.95226805433146 0.59370099396109 15.999 57 O 0.92060646814190 0.58551007281714 0.27374437231016 15.999 58 O 0.56430909109095 0.24415285008761 0.50321315763753 15.999 59 O 0.72858095993786 0.04679575795073 0.40063478081608 15.999 60 O 0.43569090890905 0.74415285008761 0.99678684236247 15.999 61 O 0.83597909824273 0.71447671440258 0.89807641215546 15.999 62 O 0.16402090175727 0.21447671440259 0.60192358784454 15.999 63 O 0.87078219311793 0.90404063520261 0.20502694739955 15.999 64 O 0.62575564215577 0.47414220109444 0.16099513787118 15.999 65 O 0.87078219311793 0.59595936479739 0.70502694739955 15.999 66 O 0.71617834349174 0.29159702833710 0.73986049625348 15.999 67 O 0.16402090175727 0.28552328559742 0.10192358784454 15.999 68 O 0.07939353185810 0.41448992718286 0.72625562768984 15.999 69 O 0.12921780688207 0.40404063520261 0.29497305260045 15.999 70 O 0.37424435784423 0.52585779890556 0.83900486212882 15.999 71 O 0.72858095993786 0.45320424204927 0.90063478081608 15.999 72 O 0.96102715787212 0.54773194566854 0.09370099396109 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.216793070001327 0.000000000000000 0.000000000000000 b 0.000000000000000 17.655114639999997 0.000000000000000 c -7.056427239046479 0.000000000000000 10.665950671613352 Atomic positions (fractional): 1 Cs 0.22099295269892 0.46815174275246 0.04097661969474 132.905 > 1 2 Cs 0.22099295269892 0.96815174275246 0.04097661969474 132.905 > 1 3 Cs 0.77900704730108 0.21815174275246 0.45902338030526 132.905 > 3 4 Cs 0.77900704730108 0.71815174275246 0.45902338030526 132.905 > 3 5 Cs 0.77900704730108 0.03184825724754 0.95902338030526 132.905 > 5 6 Cs 0.77900704730108 0.53184825724754 0.95902338030526 132.905 > 5 7 Cs 0.22099295269892 0.28184825724754 0.54097661969474 132.905 > 7 8 Cs 0.22099295269892 0.78184825724754 0.54097661969474 132.905 > 7 9 Er 0.31524838223059 0.13671389998765 0.81819134525784 167.259 > 9 10 Er 0.31524838223059 0.63671389998765 0.81819134525784 167.259 > 9 11 Er 0.31524838223059 0.11328610001235 0.31819134525784 167.259 > 11 12 Er 0.31524838223059 0.61328610001235 0.31819134525784 167.259 > 11 13 Er 0.68475161776941 0.38671389998765 0.68180865474216 167.259 > 13 14 Er 0.68475161776941 0.88671389998765 0.68180865474216 167.259 > 13 15 Er 0.68475161776941 0.36328610001235 0.18180865474216 167.259 > 15 16 Er 0.68475161776941 0.86328610001235 0.18180865474216 167.259 > 15 17 P 0.80013655881343 0.44383005475385 0.47270116858222 30.974 > 17 18 P 0.80013655881343 0.94383005475385 0.47270116858222 30.974 > 17 19 P 0.66911606372643 0.16415075687455 0.12831879131760 30.974 > 19 20 P 0.66911606372643 0.66415075687455 0.12831879131760 30.974 > 19 21 P 0.66911606372643 0.08584924312545 0.62831879131760 30.974 > 21 22 P 0.66911606372643 0.58584924312545 0.62831879131760 30.974 > 21 23 P 0.39222594805149 0.45494300922893 0.74394439129788 30.974 > 23 24 P 0.39222594805149 0.95494300922893 0.74394439129788 30.974 > 23 25 P 0.97054858191264 0.01318887095128 0.71364479982832 30.974 > 25 26 P 0.97054858191264 0.51318887095128 0.71364479982832 30.974 > 25 27 P 0.33088393627357 0.33584924312545 0.87168120868240 30.974 > 27 28 P 0.33088393627357 0.83584924312545 0.87168120868240 30.974 > 27 29 P 0.33088393627357 0.41415075687455 0.37168120868240 30.974 > 29 30 P 0.33088393627357 0.91415075687455 0.37168120868240 30.974 > 29 31 P 0.19986344118657 0.19383005475385 0.02729883141778 30.974 > 31 32 P 0.19986344118657 0.69383005475385 0.02729883141778 30.974 > 31 33 P 0.39222594805149 0.29505699077107 0.24394439129788 30.974 > 33 34 P 0.39222594805149 0.79505699077107 0.24394439129788 30.974 > 33 35 P 0.02945141808736 0.26318887095128 0.78635520017168 30.974 > 35 36 P 0.02945141808736 0.76318887095128 0.78635520017168 30.974 > 35 37 P 0.60777405194851 0.04505699077107 0.25605560870212 30.974 > 37 38 P 0.60777405194851 0.54505699077107 0.25605560870212 30.974 > 37 39 P 0.97054858191264 0.23681112904872 0.21364479982832 30.974 > 39 40 P 0.97054858191264 0.73681112904872 0.21364479982832 30.974 > 39 41 P 0.19986344118657 0.05616994524615 0.52729883141778 30.974 > 41 42 P 0.19986344118657 0.55616994524615 0.52729883141778 30.974 > 41 43 P 0.02945141808736 0.48681112904872 0.28635520017168 30.974 > 43 44 P 0.02945141808736 0.98681112904872 0.28635520017168 30.974 > 43 45 P 0.60777405194851 0.20494300922893 0.75605560870212 30.974 > 45 46 P 0.60777405194851 0.70494300922893 0.75605560870212 30.974 > 45 47 P 0.80013655881343 0.30616994524615 0.97270116858222 30.974 > 47 48 P 0.80013655881343 0.80616994524615 0.97270116858222 30.974 > 47 49 O 0.83597909824273 0.39276164279871 0.39807641215546 15.999 > 49 50 O 0.83597909824273 0.89276164279871 0.39807641215546 15.999 > 49 51 O 0.15971718578496 0.32964641898648 0.85058350260398 15.999 > 51 52 O 0.15971718578496 0.82964641898648 0.85058350260398 15.999 > 51 53 O 0.70351671212069 0.33689232074463 0.01791333128071 15.999 > 53 54 O 0.70351671212069 0.83689232074463 0.01791333128071 15.999 > 53 55 O 0.84028281421504 0.07964641898648 0.64941649739602 15.999 > 55 56 O 0.84028281421504 0.57964641898648 0.64941649739602 15.999 > 55 57 O 0.84028281421504 0.17035358101352 0.14941649739602 15.999 > 57 58 O 0.84028281421504 0.67035358101352 0.14941649739602 15.999 > 57 59 O 0.28382165650826 0.39579851416855 0.76013950374652 15.999 > 59 60 O 0.28382165650826 0.89579851416855 0.76013950374652 15.999 > 59 61 O 0.56430909109095 0.12792357495620 0.00321315763753 15.999 > 61 62 O 0.56430909109095 0.62792357495620 0.00321315763753 15.999 > 61 63 O 0.47298461339004 0.08772837317507 0.24242410972308 15.999 > 63 64 O 0.47298461339004 0.58772837317507 0.24242410972308 15.999 > 63 65 O 0.42424688919641 0.22721618868749 0.32469001023800 15.999 > 65 66 O 0.42424688919641 0.72721618868749 0.32469001023800 15.999 > 65 67 O 0.42424688919641 0.02278381131251 0.82469001023800 15.999 > 67 68 O 0.42424688919641 0.52278381131251 0.82469001023800 15.999 > 67 69 O 0.43569090890905 0.37792357495620 0.49678684236247 15.999 > 69 70 O 0.43569090890905 0.87792357495620 0.49678684236247 15.999 > 69 71 O 0.12921780688207 0.04797968239870 0.79497305260045 15.999 > 71 72 O 0.12921780688207 0.54797968239869 0.79497305260045 15.999 > 71 73 O 0.57575311080359 0.27278381131251 0.67530998976200 15.999 > 73 74 O 0.57575311080359 0.77278381131251 0.67530998976200 15.999 > 73 75 O 0.07939353185810 0.04275503640857 0.22625562768984 15.999 > 75 76 O 0.07939353185810 0.54275503640857 0.22625562768984 15.999 > 75 77 O 0.27141904006214 0.47660212102463 0.59936521918392 15.999 > 77 78 O 0.27141904006214 0.97660212102463 0.59936521918392 15.999 > 77 79 O 0.29648328787931 0.08689232074463 0.48208666871929 15.999 > 79 80 O 0.29648328787931 0.58689232074463 0.48208666871929 15.999 > 79 81 O 0.28382165650826 0.35420148583145 0.26013950374652 15.999 > 81 82 O 0.28382165650826 0.85420148583145 0.26013950374652 15.999 > 81 83 O 0.37424435784423 0.48707110054722 0.33900486212882 15.999 > 83 84 O 0.37424435784423 0.98707110054722 0.33900486212882 15.999 > 83 85 O 0.03897284212788 0.02386597283427 0.40629900603891 15.999 > 85 86 O 0.03897284212788 0.52386597283427 0.40629900603891 15.999 > 85 87 O 0.92060646814190 0.45724496359143 0.77374437231016 15.999 > 87 88 O 0.92060646814190 0.95724496359143 0.77374437231016 15.999 > 87 89 O 0.71617834349174 0.10420148583145 0.23986049625348 15.999 > 89 90 O 0.71617834349174 0.60420148583145 0.23986049625348 15.999 > 89 91 O 0.29648328787931 0.16310767925537 0.98208666871929 15.999 > 91 92 O 0.29648328787931 0.66310767925537 0.98208666871929 15.999 > 91 93 O 0.27141904006214 0.27339787897537 0.09936521918392 15.999 > 93 94 O 0.27141904006214 0.77339787897537 0.09936521918392 15.999 > 93 95 O 0.15971718578496 0.42035358101352 0.35058350260398 15.999 > 95 96 O 0.15971718578496 0.92035358101352 0.35058350260398 15.999 > 95 97 O 0.47298461339004 0.16227162682493 0.74242410972308 15.999 > 97 98 O 0.47298461339004 0.66227162682493 0.74242410972308 15.999 > 97 99 O 0.52701538660995 0.33772837317507 0.25757589027692 15.999 > 99 100 O 0.52701538660995 0.83772837317507 0.25757589027692 15.999 > 99 101 O 0.52701538660995 0.41227162682493 0.75757589027692 15.999 > 101 102 O 0.52701538660995 0.91227162682493 0.75757589027692 15.999 > 101 103 O 0.03897284212788 0.22613402716573 0.90629900603891 15.999 > 103 104 O 0.03897284212788 0.72613402716573 0.90629900603891 15.999 > 103 105 O 0.70351671212069 0.41310767925537 0.51791333128071 15.999 > 105 106 O 0.70351671212069 0.91310767925537 0.51791333128071 15.999 > 105 107 O 0.57575311080359 0.47721618868749 0.17530998976200 15.999 > 107 108 O 0.57575311080359 0.97721618868749 0.17530998976200 15.999 > 107 109 O 0.62575564215577 0.01292889945278 0.66099513787118 15.999 > 109 110 O 0.62575564215577 0.51292889945278 0.66099513787118 15.999 > 109 111 O 0.96102715787212 0.47613402716573 0.59370099396109 15.999 > 111 112 O 0.96102715787212 0.97613402716573 0.59370099396109 15.999 > 111 113 O 0.92060646814190 0.29275503640857 0.27374437231016 15.999 > 113 114 O 0.92060646814190 0.79275503640857 0.27374437231016 15.999 > 113 115 O 0.56430909109095 0.12207642504380 0.50321315763753 15.999 > 115 116 O 0.56430909109095 0.62207642504380 0.50321315763753 15.999 > 115 117 O 0.72858095993786 0.02339787897537 0.40063478081608 15.999 > 117 118 O 0.72858095993786 0.52339787897537 0.40063478081608 15.999 > 117 119 O 0.43569090890905 0.37207642504380 0.99678684236247 15.999 > 119 120 O 0.43569090890905 0.87207642504380 0.99678684236247 15.999 > 119 121 O 0.83597909824273 0.35723835720129 0.89807641215546 15.999 > 121 122 O 0.83597909824273 0.85723835720129 0.89807641215546 15.999 > 121 123 O 0.16402090175727 0.10723835720129 0.60192358784454 15.999 > 123 124 O 0.16402090175727 0.60723835720129 0.60192358784454 15.999 > 123 125 O 0.87078219311793 0.45202031760131 0.20502694739955 15.999 > 125 126 O 0.87078219311793 0.95202031760131 0.20502694739955 15.999 > 125 127 O 0.62575564215577 0.23707110054722 0.16099513787118 15.999 > 127 128 O 0.62575564215577 0.73707110054722 0.16099513787118 15.999 > 127 129 O 0.87078219311793 0.29797968239869 0.70502694739955 15.999 > 129 130 O 0.87078219311793 0.79797968239869 0.70502694739955 15.999 > 129 131 O 0.71617834349174 0.14579851416855 0.73986049625348 15.999 > 131 132 O 0.71617834349174 0.64579851416855 0.73986049625348 15.999 > 131 133 O 0.16402090175727 0.14276164279871 0.10192358784454 15.999 > 133 134 O 0.16402090175727 0.64276164279871 0.10192358784454 15.999 > 133 135 O 0.07939353185810 0.20724496359143 0.72625562768984 15.999 > 135 136 O 0.07939353185810 0.70724496359143 0.72625562768984 15.999 > 135 137 O 0.12921780688207 0.20202031760131 0.29497305260045 15.999 > 137 138 O 0.12921780688207 0.70202031760131 0.29497305260045 15.999 > 137 139 O 0.37424435784423 0.26292889945278 0.83900486212882 15.999 > 139 140 O 0.37424435784423 0.76292889945278 0.83900486212882 15.999 > 139 141 O 0.72858095993786 0.22660212102463 0.90063478081608 15.999 > 141 142 O 0.72858095993786 0.72660212102463 0.90063478081608 15.999 > 141 143 O 0.96102715787212 0.27386597283427 0.09370099396109 15.999 > 143 144 O 0.96102715787212 0.77386597283427 0.09370099396109 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8133725 0.0000000 -0.0213695 0.0000000 2.8526667 0.0000000 -0.0213685 0.0000000 2.8604198 -------------------------- Born effective charges -------------------------- 1 Cs 1.2555228 -0.0470360 0.0793977 -0.0622420 1.3680622 0.0126502 0.0454247 0.0463056 1.5969842 2 Cs 1.2555228 0.0470360 0.0793977 0.0622420 1.3680622 -0.0126502 0.0454247 -0.0463056 1.5969842 3 Cs 1.2555228 -0.0470360 0.0793977 -0.0622420 1.3680622 0.0126502 0.0454247 0.0463056 1.5969842 4 Cs 1.2555228 0.0470360 0.0793977 0.0622420 1.3680622 -0.0126502 0.0454247 -0.0463056 1.5969842 5 Er 4.2976327 -0.1979954 -0.3757317 -0.0518347 4.2985616 0.4899027 0.0136575 0.6421049 3.8602488 6 Er 4.2976327 0.1979954 -0.3757317 0.0518347 4.2985616 -0.4899027 0.0136575 -0.6421049 3.8602488 7 Er 4.2976327 0.1979954 -0.3757317 0.0518347 4.2985616 -0.4899027 0.0136575 -0.6421049 3.8602488 8 Er 4.2976327 -0.1979954 -0.3757317 -0.0518347 4.2985616 0.4899027 0.0136575 0.6421049 3.8602488 9 P 3.0398452 -0.0218556 -0.3918722 0.1096240 3.4624829 0.3111634 -0.2450331 -0.2504072 4.0455626 10 P 3.4632818 0.4688108 -0.2340018 0.4143436 3.6568231 -0.3711984 0.0280304 0.0441914 3.4567088 11 P 3.4632818 -0.4688108 -0.2340018 -0.4143436 3.6568231 0.3711984 0.0280304 -0.0441914 3.4567088 12 P 3.4981534 -0.0934767 -0.0217872 0.3621802 3.9662869 -0.3965359 -0.3232419 -0.3591716 3.4353172 13 P 3.5644604 -0.1268111 0.6448276 0.0764735 3.2039032 0.1407979 -0.0167423 0.1879368 3.5531490 14 P 3.4632818 0.4688108 -0.2340018 0.4143436 3.6568231 -0.3711984 0.0280304 0.0441914 3.4567088 15 P 3.4632818 -0.4688108 -0.2340018 -0.4143436 3.6568231 0.3711984 0.0280304 -0.0441914 3.4567088 16 P 3.0398452 0.0218556 -0.3918722 -0.1096240 3.4624829 -0.3111634 -0.2450331 0.2504072 4.0455626 17 P 3.4981534 0.0934767 -0.0217872 -0.3621802 3.9662869 0.3965359 -0.3232419 0.3591716 3.4353172 18 P 3.5644604 0.1268111 0.6448276 -0.0764735 3.2039032 -0.1407979 -0.0167423 -0.1879368 3.5531490 19 P 3.4981534 -0.0934767 -0.0217872 0.3621802 3.9662869 -0.3965359 -0.3232419 -0.3591716 3.4353172 20 P 3.5644604 0.1268111 0.6448276 -0.0764735 3.2039032 -0.1407979 -0.0167423 -0.1879368 3.5531490 21 P 3.0398452 -0.0218556 -0.3918722 0.1096240 3.4624829 0.3111634 -0.2450331 -0.2504072 4.0455626 22 P 3.5644604 -0.1268111 0.6448276 0.0764735 3.2039032 0.1407979 -0.0167423 0.1879368 3.5531490 23 P 3.4981534 0.0934767 -0.0217872 -0.3621802 3.9662869 0.3965359 -0.3232419 0.3591716 3.4353172 24 P 3.0398452 0.0218556 -0.3918722 -0.1096240 3.4624829 -0.3111634 -0.2450331 0.2504072 4.0455626 25 O -1.3172882 0.2629269 0.4625962 0.2975421 -1.5255378 -0.5673222 0.3651674 -0.3977635 -1.8882278 26 O -2.4900447 -0.6881091 -0.5782042 -0.7162084 -1.5583300 -0.4029270 -0.3687514 -0.3159278 -1.0866073 27 O -1.8846236 0.3181593 0.6263901 0.4222816 -1.2170552 -0.1478045 0.6817622 -0.2063797 -1.6902569 28 O -2.4900447 0.6881091 -0.5782042 0.7162084 -1.5583300 0.4029270 -0.3687514 0.3159278 -1.0866073 29 O -2.4900447 -0.6881091 -0.5782042 -0.7162084 -1.5583300 -0.4029270 -0.3687514 -0.3159278 -1.0866073 30 O -1.6052368 -0.8561028 0.5147024 -0.9876477 -2.3292625 0.8280595 0.5068886 0.7349364 -1.5552160 31 O -1.2749810 -0.0103093 -0.3227395 0.0154037 -1.1917593 -0.2175014 -0.3399313 -0.3826577 -2.2472925 32 O -2.2944886 0.4983464 0.1359529 0.3829980 -1.4144699 -0.0309960 0.1084603 0.0057763 -1.1167969 33 O -1.3456495 -0.4266519 0.0173127 -0.4284910 -2.3271249 0.3837682 0.0553957 0.4486102 -1.2697781 34 O -1.3456495 0.4266519 0.0173127 0.4284910 -2.3271249 -0.3837682 0.0553957 -0.4486102 -1.2697781 35 O -1.2749810 0.0103093 -0.3227395 -0.0154037 -1.1917593 0.2175014 -0.3399313 0.3826577 -2.2472925 36 O -1.9329542 -0.6772128 -0.4894052 -0.6377605 -1.4641619 -0.2477021 -0.4849782 -0.3348950 -1.4716286 37 O -1.3456495 -0.4266519 0.0173127 -0.4284910 -2.3271249 0.3837682 0.0553957 0.4486102 -1.2697781 38 O -1.6666645 -0.4772799 -0.1119735 -0.5805607 -1.5221531 0.0762431 0.0911585 0.1863908 -1.3931784 39 O -0.8592665 0.2209492 -0.1122279 0.2337620 -1.8956856 0.9119214 -0.2033647 1.0636562 -2.5084382 40 O -1.8846236 -0.3181593 0.6263901 -0.4222816 -1.2170552 0.1478045 0.6817622 0.2063797 -1.6902569 41 O -1.6052368 0.8561028 0.5147024 0.9876477 -2.3292625 -0.8280595 0.5068886 -0.7349364 -1.5552160 42 O -1.1924284 -0.1267036 0.1546753 -0.1633843 -2.3352869 0.2314313 0.0812223 0.2209909 -1.1591458 43 O -1.2552704 -0.0435407 0.0020882 -0.0608960 -1.1752926 -0.7796704 0.0048752 -0.8004689 -2.5614042 44 O -1.6666645 -0.4772799 -0.1119735 -0.5805607 -1.5221531 0.0762431 0.0911585 0.1863908 -1.3931784 45 O -1.6052368 -0.8561028 0.5147024 -0.9876477 -2.3292625 0.8280595 0.5068886 0.7349364 -1.5552160 46 O -1.8846236 0.3181593 0.6263901 0.4222816 -1.2170552 -0.1478045 0.6817622 -0.2063797 -1.6902569 47 O -0.8592665 -0.2209492 -0.1122279 -0.2337620 -1.8956856 -0.9119214 -0.2033647 -1.0636562 -2.5084382 48 O -2.4900447 0.6881091 -0.5782042 0.7162084 -1.5583300 0.4029270 -0.3687514 0.3159278 -1.0866073 49 O -2.2944886 -0.4983464 0.1359529 -0.3829980 -1.4144699 0.0309960 0.1084603 -0.0057763 -1.1167969 50 O -2.2944886 -0.4983464 0.1359529 -0.3829980 -1.4144699 0.0309960 0.1084603 -0.0057763 -1.1167969 51 O -2.2944886 0.4983464 0.1359529 0.3829980 -1.4144699 -0.0309960 0.1084603 0.0057763 -1.1167969 52 O -1.2552704 0.0435407 0.0020882 0.0608960 -1.1752926 0.7796704 0.0048752 0.8004689 -2.5614042 53 O -1.8846236 -0.3181593 0.6263901 -0.4222816 -1.2170552 0.1478045 0.6817622 0.2063797 -1.6902569 54 O -1.3456495 0.4266519 0.0173127 0.4284910 -2.3271249 -0.3837682 0.0553957 -0.4486102 -1.2697781 55 O -1.1924284 -0.1267036 0.1546753 -0.1633843 -2.3352869 0.2314313 0.0812223 0.2209909 -1.1591458 56 O -1.2552704 -0.0435407 0.0020882 -0.0608960 -1.1752926 -0.7796704 0.0048752 -0.8004689 -2.5614042 57 O -1.6666645 0.4772799 -0.1119735 0.5805607 -1.5221531 -0.0762431 0.0911585 -0.1863908 -1.3931784 58 O -1.2749810 0.0103093 -0.3227395 -0.0154037 -1.1917593 0.2175014 -0.3399313 0.3826577 -2.2472925 59 O -0.8592665 0.2209492 -0.1122279 0.2337620 -1.8956856 0.9119214 -0.2033647 1.0636562 -2.5084382 60 O -1.2749810 -0.0103093 -0.3227395 0.0154037 -1.1917593 -0.2175014 -0.3399313 -0.3826577 -2.2472925 61 O -1.3172882 -0.2629269 0.4625962 -0.2975421 -1.5255378 0.5673222 0.3651674 0.3977635 -1.8882278 62 O -1.3172882 0.2629269 0.4625962 0.2975421 -1.5255378 -0.5673222 0.3651674 -0.3977635 -1.8882278 63 O -1.9329542 -0.6772128 -0.4894052 -0.6377605 -1.4641619 -0.2477021 -0.4849782 -0.3348950 -1.4716286 64 O -1.1924284 0.1267036 0.1546753 0.1633843 -2.3352869 -0.2314313 0.0812223 -0.2209909 -1.1591458 65 O -1.9329542 0.6772128 -0.4894052 0.6377605 -1.4641619 0.2477021 -0.4849782 0.3348950 -1.4716286 66 O -1.6052368 0.8561028 0.5147024 0.9876477 -2.3292625 -0.8280595 0.5068886 -0.7349364 -1.5552160 67 O -1.3172882 -0.2629269 0.4625962 -0.2975421 -1.5255378 0.5673222 0.3651674 0.3977635 -1.8882278 68 O -1.6666645 0.4772799 -0.1119735 0.5805607 -1.5221531 -0.0762431 0.0911585 -0.1863908 -1.3931784 69 O -1.9329542 0.6772128 -0.4894052 0.6377605 -1.4641619 0.2477021 -0.4849782 0.3348950 -1.4716286 70 O -1.1924284 0.1267036 0.1546753 0.1633843 -2.3352869 -0.2314313 0.0812223 -0.2209909 -1.1591458 71 O -0.8592665 -0.2209492 -0.1122279 -0.2337620 -1.8956856 -0.9119214 -0.2033647 -1.0636562 -2.5084382 72 O -1.2552704 0.0435407 0.0020882 0.0608960 -1.1752926 0.7796704 0.0048752 0.8004689 -2.5614042 ---------------------------------------------------------------------------- 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 9, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 17, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 19, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 23, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 25, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 49, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 51, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 59, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 61, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 63, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 71, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 75, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 83, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 17:31:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:31:30]------------------------- 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): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.216793070001327 0.000000000000000 0.000000000000000 b 0.000000000000000 8.827557319999999 0.000000000000000 c -7.056427239046479 0.000000000000000 10.665950671613352 Atomic positions (fractional): 1 Cs 0.22099295269892 0.93630348550492 0.04097661969474 132.905 2 Cs 0.77900704730108 0.43630348550492 0.45902338030526 132.905 3 Cs 0.77900704730108 0.06369651449508 0.95902338030526 132.905 4 Cs 0.22099295269892 0.56369651449508 0.54097661969474 132.905 5 Er 0.31524838223059 0.27342779997530 0.81819134525784 167.259 6 Er 0.31524838223059 0.22657220002470 0.31819134525784 167.259 7 Er 0.68475161776941 0.77342779997530 0.68180865474216 167.259 8 Er 0.68475161776941 0.72657220002470 0.18180865474216 167.259 9 P 0.80013655881343 0.88766010950771 0.47270116858222 30.974 10 P 0.66911606372643 0.32830151374910 0.12831879131760 30.974 11 P 0.66911606372643 0.17169848625090 0.62831879131760 30.974 12 P 0.39222594805149 0.90988601845786 0.74394439129788 30.974 13 P 0.97054858191264 0.02637774190255 0.71364479982832 30.974 14 P 0.33088393627357 0.67169848625090 0.87168120868240 30.974 15 P 0.33088393627357 0.82830151374910 0.37168120868240 30.974 16 P 0.19986344118657 0.38766010950771 0.02729883141778 30.974 17 P 0.39222594805149 0.59011398154214 0.24394439129788 30.974 18 P 0.02945141808736 0.52637774190255 0.78635520017168 30.974 19 P 0.60777405194851 0.09011398154214 0.25605560870212 30.974 20 P 0.97054858191264 0.47362225809745 0.21364479982832 30.974 21 P 0.19986344118657 0.11233989049229 0.52729883141778 30.974 22 P 0.02945141808736 0.97362225809745 0.28635520017168 30.974 23 P 0.60777405194851 0.40988601845786 0.75605560870212 30.974 24 P 0.80013655881343 0.61233989049229 0.97270116858222 30.974 25 O 0.83597909824273 0.78552328559742 0.39807641215546 15.999 26 O 0.15971718578496 0.65929283797296 0.85058350260398 15.999 27 O 0.70351671212069 0.67378464148925 0.01791333128071 15.999 28 O 0.84028281421504 0.15929283797295 0.64941649739602 15.999 29 O 0.84028281421504 0.34070716202704 0.14941649739602 15.999 30 O 0.28382165650826 0.79159702833710 0.76013950374652 15.999 31 O 0.56430909109095 0.25584714991239 0.00321315763753 15.999 32 O 0.47298461339004 0.17545674635013 0.24242410972308 15.999 33 O 0.42424688919641 0.45443237737498 0.32469001023800 15.999 34 O 0.42424688919641 0.04556762262502 0.82469001023800 15.999 35 O 0.43569090890905 0.75584714991239 0.49678684236247 15.999 36 O 0.12921780688207 0.09595936479739 0.79497305260045 15.999 37 O 0.57575311080359 0.54556762262502 0.67530998976200 15.999 38 O 0.07939353185810 0.08551007281714 0.22625562768984 15.999 39 O 0.27141904006214 0.95320424204927 0.59936521918392 15.999 40 O 0.29648328787931 0.17378464148925 0.48208666871929 15.999 41 O 0.28382165650826 0.70840297166290 0.26013950374652 15.999 42 O 0.37424435784423 0.97414220109444 0.33900486212882 15.999 43 O 0.03897284212788 0.04773194566854 0.40629900603891 15.999 44 O 0.92060646814190 0.91448992718286 0.77374437231016 15.999 45 O 0.71617834349174 0.20840297166290 0.23986049625348 15.999 46 O 0.29648328787931 0.32621535851075 0.98208666871929 15.999 47 O 0.27141904006214 0.54679575795073 0.09936521918392 15.999 48 O 0.15971718578496 0.84070716202704 0.35058350260398 15.999 49 O 0.47298461339004 0.32454325364987 0.74242410972308 15.999 50 O 0.52701538660995 0.67545674635013 0.25757589027692 15.999 51 O 0.52701538660995 0.82454325364987 0.75757589027692 15.999 52 O 0.03897284212788 0.45226805433146 0.90629900603891 15.999 53 O 0.70351671212069 0.82621535851075 0.51791333128071 15.999 54 O 0.57575311080359 0.95443237737498 0.17530998976200 15.999 55 O 0.62575564215577 0.02585779890556 0.66099513787118 15.999 56 O 0.96102715787212 0.95226805433146 0.59370099396109 15.999 57 O 0.92060646814190 0.58551007281714 0.27374437231016 15.999 58 O 0.56430909109095 0.24415285008761 0.50321315763753 15.999 59 O 0.72858095993786 0.04679575795073 0.40063478081608 15.999 60 O 0.43569090890905 0.74415285008761 0.99678684236247 15.999 61 O 0.83597909824273 0.71447671440258 0.89807641215546 15.999 62 O 0.16402090175727 0.21447671440259 0.60192358784454 15.999 63 O 0.87078219311793 0.90404063520261 0.20502694739955 15.999 64 O 0.62575564215577 0.47414220109444 0.16099513787118 15.999 65 O 0.87078219311793 0.59595936479739 0.70502694739955 15.999 66 O 0.71617834349174 0.29159702833710 0.73986049625348 15.999 67 O 0.16402090175727 0.28552328559742 0.10192358784454 15.999 68 O 0.07939353185810 0.41448992718286 0.72625562768984 15.999 69 O 0.12921780688207 0.40404063520261 0.29497305260045 15.999 70 O 0.37424435784423 0.52585779890556 0.83900486212882 15.999 71 O 0.72858095993786 0.45320424204927 0.90063478081608 15.999 72 O 0.96102715787212 0.54773194566854 0.09370099396109 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.216793070001327 0.000000000000000 0.000000000000000 b 0.000000000000000 17.655114639999997 0.000000000000000 c -7.056427239046479 0.000000000000000 10.665950671613352 Atomic positions (fractional): 1 Cs 0.22099295269892 0.46815174275246 0.04097661969474 132.905 > 1 2 Cs 0.22099295269892 0.96815174275246 0.04097661969474 132.905 > 1 3 Cs 0.77900704730108 0.21815174275246 0.45902338030526 132.905 > 3 4 Cs 0.77900704730108 0.71815174275246 0.45902338030526 132.905 > 3 5 Cs 0.77900704730108 0.03184825724754 0.95902338030526 132.905 > 5 6 Cs 0.77900704730108 0.53184825724754 0.95902338030526 132.905 > 5 7 Cs 0.22099295269892 0.28184825724754 0.54097661969474 132.905 > 7 8 Cs 0.22099295269892 0.78184825724754 0.54097661969474 132.905 > 7 9 Er 0.31524838223059 0.13671389998765 0.81819134525784 167.259 > 9 10 Er 0.31524838223059 0.63671389998765 0.81819134525784 167.259 > 9 11 Er 0.31524838223059 0.11328610001235 0.31819134525784 167.259 > 11 12 Er 0.31524838223059 0.61328610001235 0.31819134525784 167.259 > 11 13 Er 0.68475161776941 0.38671389998765 0.68180865474216 167.259 > 13 14 Er 0.68475161776941 0.88671389998765 0.68180865474216 167.259 > 13 15 Er 0.68475161776941 0.36328610001235 0.18180865474216 167.259 > 15 16 Er 0.68475161776941 0.86328610001235 0.18180865474216 167.259 > 15 17 P 0.80013655881343 0.44383005475385 0.47270116858222 30.974 > 17 18 P 0.80013655881343 0.94383005475385 0.47270116858222 30.974 > 17 19 P 0.66911606372643 0.16415075687455 0.12831879131760 30.974 > 19 20 P 0.66911606372643 0.66415075687455 0.12831879131760 30.974 > 19 21 P 0.66911606372643 0.08584924312545 0.62831879131760 30.974 > 21 22 P 0.66911606372643 0.58584924312545 0.62831879131760 30.974 > 21 23 P 0.39222594805149 0.45494300922893 0.74394439129788 30.974 > 23 24 P 0.39222594805149 0.95494300922893 0.74394439129788 30.974 > 23 25 P 0.97054858191264 0.01318887095128 0.71364479982832 30.974 > 25 26 P 0.97054858191264 0.51318887095128 0.71364479982832 30.974 > 25 27 P 0.33088393627357 0.33584924312545 0.87168120868240 30.974 > 27 28 P 0.33088393627357 0.83584924312545 0.87168120868240 30.974 > 27 29 P 0.33088393627357 0.41415075687455 0.37168120868240 30.974 > 29 30 P 0.33088393627357 0.91415075687455 0.37168120868240 30.974 > 29 31 P 0.19986344118657 0.19383005475385 0.02729883141778 30.974 > 31 32 P 0.19986344118657 0.69383005475385 0.02729883141778 30.974 > 31 33 P 0.39222594805149 0.29505699077107 0.24394439129788 30.974 > 33 34 P 0.39222594805149 0.79505699077107 0.24394439129788 30.974 > 33 35 P 0.02945141808736 0.26318887095128 0.78635520017168 30.974 > 35 36 P 0.02945141808736 0.76318887095128 0.78635520017168 30.974 > 35 37 P 0.60777405194851 0.04505699077107 0.25605560870212 30.974 > 37 38 P 0.60777405194851 0.54505699077107 0.25605560870212 30.974 > 37 39 P 0.97054858191264 0.23681112904872 0.21364479982832 30.974 > 39 40 P 0.97054858191264 0.73681112904872 0.21364479982832 30.974 > 39 41 P 0.19986344118657 0.05616994524615 0.52729883141778 30.974 > 41 42 P 0.19986344118657 0.55616994524615 0.52729883141778 30.974 > 41 43 P 0.02945141808736 0.48681112904872 0.28635520017168 30.974 > 43 44 P 0.02945141808736 0.98681112904872 0.28635520017168 30.974 > 43 45 P 0.60777405194851 0.20494300922893 0.75605560870212 30.974 > 45 46 P 0.60777405194851 0.70494300922893 0.75605560870212 30.974 > 45 47 P 0.80013655881343 0.30616994524615 0.97270116858222 30.974 > 47 48 P 0.80013655881343 0.80616994524615 0.97270116858222 30.974 > 47 49 O 0.83597909824273 0.39276164279871 0.39807641215546 15.999 > 49 50 O 0.83597909824273 0.89276164279871 0.39807641215546 15.999 > 49 51 O 0.15971718578496 0.32964641898648 0.85058350260398 15.999 > 51 52 O 0.15971718578496 0.82964641898648 0.85058350260398 15.999 > 51 53 O 0.70351671212069 0.33689232074463 0.01791333128071 15.999 > 53 54 O 0.70351671212069 0.83689232074463 0.01791333128071 15.999 > 53 55 O 0.84028281421504 0.07964641898648 0.64941649739602 15.999 > 55 56 O 0.84028281421504 0.57964641898648 0.64941649739602 15.999 > 55 57 O 0.84028281421504 0.17035358101352 0.14941649739602 15.999 > 57 58 O 0.84028281421504 0.67035358101352 0.14941649739602 15.999 > 57 59 O 0.28382165650826 0.39579851416855 0.76013950374652 15.999 > 59 60 O 0.28382165650826 0.89579851416855 0.76013950374652 15.999 > 59 61 O 0.56430909109095 0.12792357495620 0.00321315763753 15.999 > 61 62 O 0.56430909109095 0.62792357495620 0.00321315763753 15.999 > 61 63 O 0.47298461339004 0.08772837317507 0.24242410972308 15.999 > 63 64 O 0.47298461339004 0.58772837317507 0.24242410972308 15.999 > 63 65 O 0.42424688919641 0.22721618868749 0.32469001023800 15.999 > 65 66 O 0.42424688919641 0.72721618868749 0.32469001023800 15.999 > 65 67 O 0.42424688919641 0.02278381131251 0.82469001023800 15.999 > 67 68 O 0.42424688919641 0.52278381131251 0.82469001023800 15.999 > 67 69 O 0.43569090890905 0.37792357495620 0.49678684236247 15.999 > 69 70 O 0.43569090890905 0.87792357495620 0.49678684236247 15.999 > 69 71 O 0.12921780688207 0.04797968239870 0.79497305260045 15.999 > 71 72 O 0.12921780688207 0.54797968239869 0.79497305260045 15.999 > 71 73 O 0.57575311080359 0.27278381131251 0.67530998976200 15.999 > 73 74 O 0.57575311080359 0.77278381131251 0.67530998976200 15.999 > 73 75 O 0.07939353185810 0.04275503640857 0.22625562768984 15.999 > 75 76 O 0.07939353185810 0.54275503640857 0.22625562768984 15.999 > 75 77 O 0.27141904006214 0.47660212102463 0.59936521918392 15.999 > 77 78 O 0.27141904006214 0.97660212102463 0.59936521918392 15.999 > 77 79 O 0.29648328787931 0.08689232074463 0.48208666871929 15.999 > 79 80 O 0.29648328787931 0.58689232074463 0.48208666871929 15.999 > 79 81 O 0.28382165650826 0.35420148583145 0.26013950374652 15.999 > 81 82 O 0.28382165650826 0.85420148583145 0.26013950374652 15.999 > 81 83 O 0.37424435784423 0.48707110054722 0.33900486212882 15.999 > 83 84 O 0.37424435784423 0.98707110054722 0.33900486212882 15.999 > 83 85 O 0.03897284212788 0.02386597283427 0.40629900603891 15.999 > 85 86 O 0.03897284212788 0.52386597283427 0.40629900603891 15.999 > 85 87 O 0.92060646814190 0.45724496359143 0.77374437231016 15.999 > 87 88 O 0.92060646814190 0.95724496359143 0.77374437231016 15.999 > 87 89 O 0.71617834349174 0.10420148583145 0.23986049625348 15.999 > 89 90 O 0.71617834349174 0.60420148583145 0.23986049625348 15.999 > 89 91 O 0.29648328787931 0.16310767925537 0.98208666871929 15.999 > 91 92 O 0.29648328787931 0.66310767925537 0.98208666871929 15.999 > 91 93 O 0.27141904006214 0.27339787897537 0.09936521918392 15.999 > 93 94 O 0.27141904006214 0.77339787897537 0.09936521918392 15.999 > 93 95 O 0.15971718578496 0.42035358101352 0.35058350260398 15.999 > 95 96 O 0.15971718578496 0.92035358101352 0.35058350260398 15.999 > 95 97 O 0.47298461339004 0.16227162682493 0.74242410972308 15.999 > 97 98 O 0.47298461339004 0.66227162682493 0.74242410972308 15.999 > 97 99 O 0.52701538660995 0.33772837317507 0.25757589027692 15.999 > 99 100 O 0.52701538660995 0.83772837317507 0.25757589027692 15.999 > 99 101 O 0.52701538660995 0.41227162682493 0.75757589027692 15.999 > 101 102 O 0.52701538660995 0.91227162682493 0.75757589027692 15.999 > 101 103 O 0.03897284212788 0.22613402716573 0.90629900603891 15.999 > 103 104 O 0.03897284212788 0.72613402716573 0.90629900603891 15.999 > 103 105 O 0.70351671212069 0.41310767925537 0.51791333128071 15.999 > 105 106 O 0.70351671212069 0.91310767925537 0.51791333128071 15.999 > 105 107 O 0.57575311080359 0.47721618868749 0.17530998976200 15.999 > 107 108 O 0.57575311080359 0.97721618868749 0.17530998976200 15.999 > 107 109 O 0.62575564215577 0.01292889945278 0.66099513787118 15.999 > 109 110 O 0.62575564215577 0.51292889945278 0.66099513787118 15.999 > 109 111 O 0.96102715787212 0.47613402716573 0.59370099396109 15.999 > 111 112 O 0.96102715787212 0.97613402716573 0.59370099396109 15.999 > 111 113 O 0.92060646814190 0.29275503640857 0.27374437231016 15.999 > 113 114 O 0.92060646814190 0.79275503640857 0.27374437231016 15.999 > 113 115 O 0.56430909109095 0.12207642504380 0.50321315763753 15.999 > 115 116 O 0.56430909109095 0.62207642504380 0.50321315763753 15.999 > 115 117 O 0.72858095993786 0.02339787897537 0.40063478081608 15.999 > 117 118 O 0.72858095993786 0.52339787897537 0.40063478081608 15.999 > 117 119 O 0.43569090890905 0.37207642504380 0.99678684236247 15.999 > 119 120 O 0.43569090890905 0.87207642504380 0.99678684236247 15.999 > 119 121 O 0.83597909824273 0.35723835720129 0.89807641215546 15.999 > 121 122 O 0.83597909824273 0.85723835720129 0.89807641215546 15.999 > 121 123 O 0.16402090175727 0.10723835720129 0.60192358784454 15.999 > 123 124 O 0.16402090175727 0.60723835720129 0.60192358784454 15.999 > 123 125 O 0.87078219311793 0.45202031760131 0.20502694739955 15.999 > 125 126 O 0.87078219311793 0.95202031760131 0.20502694739955 15.999 > 125 127 O 0.62575564215577 0.23707110054722 0.16099513787118 15.999 > 127 128 O 0.62575564215577 0.73707110054722 0.16099513787118 15.999 > 127 129 O 0.87078219311793 0.29797968239869 0.70502694739955 15.999 > 129 130 O 0.87078219311793 0.79797968239869 0.70502694739955 15.999 > 129 131 O 0.71617834349174 0.14579851416855 0.73986049625348 15.999 > 131 132 O 0.71617834349174 0.64579851416855 0.73986049625348 15.999 > 131 133 O 0.16402090175727 0.14276164279871 0.10192358784454 15.999 > 133 134 O 0.16402090175727 0.64276164279871 0.10192358784454 15.999 > 133 135 O 0.07939353185810 0.20724496359143 0.72625562768984 15.999 > 135 136 O 0.07939353185810 0.70724496359143 0.72625562768984 15.999 > 135 137 O 0.12921780688207 0.20202031760131 0.29497305260045 15.999 > 137 138 O 0.12921780688207 0.70202031760131 0.29497305260045 15.999 > 137 139 O 0.37424435784423 0.26292889945278 0.83900486212882 15.999 > 139 140 O 0.37424435784423 0.76292889945278 0.83900486212882 15.999 > 139 141 O 0.72858095993786 0.22660212102463 0.90063478081608 15.999 > 141 142 O 0.72858095993786 0.72660212102463 0.90063478081608 15.999 > 141 143 O 0.96102715787212 0.27386597283427 0.09370099396109 15.999 > 143 144 O 0.96102715787212 0.77386597283427 0.09370099396109 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8133725 0.0000000 -0.0213695 0.0000000 2.8526667 0.0000000 -0.0213685 0.0000000 2.8604198 -------------------------- Born effective charges -------------------------- 1 Cs 1.2555228 -0.0470360 0.0793977 -0.0622420 1.3680622 0.0126502 0.0454247 0.0463056 1.5969842 2 Cs 1.2555228 0.0470360 0.0793977 0.0622420 1.3680622 -0.0126502 0.0454247 -0.0463056 1.5969842 3 Cs 1.2555228 -0.0470360 0.0793977 -0.0622420 1.3680622 0.0126502 0.0454247 0.0463056 1.5969842 4 Cs 1.2555228 0.0470360 0.0793977 0.0622420 1.3680622 -0.0126502 0.0454247 -0.0463056 1.5969842 5 Er 4.2976327 -0.1979954 -0.3757317 -0.0518347 4.2985616 0.4899027 0.0136575 0.6421049 3.8602488 6 Er 4.2976327 0.1979954 -0.3757317 0.0518347 4.2985616 -0.4899027 0.0136575 -0.6421049 3.8602488 7 Er 4.2976327 0.1979954 -0.3757317 0.0518347 4.2985616 -0.4899027 0.0136575 -0.6421049 3.8602488 8 Er 4.2976327 -0.1979954 -0.3757317 -0.0518347 4.2985616 0.4899027 0.0136575 0.6421049 3.8602488 9 P 3.0398452 -0.0218556 -0.3918722 0.1096240 3.4624829 0.3111634 -0.2450331 -0.2504072 4.0455626 10 P 3.4632818 0.4688108 -0.2340018 0.4143436 3.6568231 -0.3711984 0.0280304 0.0441914 3.4567088 11 P 3.4632818 -0.4688108 -0.2340018 -0.4143436 3.6568231 0.3711984 0.0280304 -0.0441914 3.4567088 12 P 3.4981534 -0.0934767 -0.0217872 0.3621802 3.9662869 -0.3965359 -0.3232419 -0.3591716 3.4353172 13 P 3.5644604 -0.1268111 0.6448276 0.0764735 3.2039032 0.1407979 -0.0167423 0.1879368 3.5531490 14 P 3.4632818 0.4688108 -0.2340018 0.4143436 3.6568231 -0.3711984 0.0280304 0.0441914 3.4567088 15 P 3.4632818 -0.4688108 -0.2340018 -0.4143436 3.6568231 0.3711984 0.0280304 -0.0441914 3.4567088 16 P 3.0398452 0.0218556 -0.3918722 -0.1096240 3.4624829 -0.3111634 -0.2450331 0.2504072 4.0455626 17 P 3.4981534 0.0934767 -0.0217872 -0.3621802 3.9662869 0.3965359 -0.3232419 0.3591716 3.4353172 18 P 3.5644604 0.1268111 0.6448276 -0.0764735 3.2039032 -0.1407979 -0.0167423 -0.1879368 3.5531490 19 P 3.4981534 -0.0934767 -0.0217872 0.3621802 3.9662869 -0.3965359 -0.3232419 -0.3591716 3.4353172 20 P 3.5644604 0.1268111 0.6448276 -0.0764735 3.2039032 -0.1407979 -0.0167423 -0.1879368 3.5531490 21 P 3.0398452 -0.0218556 -0.3918722 0.1096240 3.4624829 0.3111634 -0.2450331 -0.2504072 4.0455626 22 P 3.5644604 -0.1268111 0.6448276 0.0764735 3.2039032 0.1407979 -0.0167423 0.1879368 3.5531490 23 P 3.4981534 0.0934767 -0.0217872 -0.3621802 3.9662869 0.3965359 -0.3232419 0.3591716 3.4353172 24 P 3.0398452 0.0218556 -0.3918722 -0.1096240 3.4624829 -0.3111634 -0.2450331 0.2504072 4.0455626 25 O -1.3172882 0.2629269 0.4625962 0.2975421 -1.5255378 -0.5673222 0.3651674 -0.3977635 -1.8882278 26 O -2.4900447 -0.6881091 -0.5782042 -0.7162084 -1.5583300 -0.4029270 -0.3687514 -0.3159278 -1.0866073 27 O -1.8846236 0.3181593 0.6263901 0.4222816 -1.2170552 -0.1478045 0.6817622 -0.2063797 -1.6902569 28 O -2.4900447 0.6881091 -0.5782042 0.7162084 -1.5583300 0.4029270 -0.3687514 0.3159278 -1.0866073 29 O -2.4900447 -0.6881091 -0.5782042 -0.7162084 -1.5583300 -0.4029270 -0.3687514 -0.3159278 -1.0866073 30 O -1.6052368 -0.8561028 0.5147024 -0.9876477 -2.3292625 0.8280595 0.5068886 0.7349364 -1.5552160 31 O -1.2749810 -0.0103093 -0.3227395 0.0154037 -1.1917593 -0.2175014 -0.3399313 -0.3826577 -2.2472925 32 O -2.2944886 0.4983464 0.1359529 0.3829980 -1.4144699 -0.0309960 0.1084603 0.0057763 -1.1167969 33 O -1.3456495 -0.4266519 0.0173127 -0.4284910 -2.3271249 0.3837682 0.0553957 0.4486102 -1.2697781 34 O -1.3456495 0.4266519 0.0173127 0.4284910 -2.3271249 -0.3837682 0.0553957 -0.4486102 -1.2697781 35 O -1.2749810 0.0103093 -0.3227395 -0.0154037 -1.1917593 0.2175014 -0.3399313 0.3826577 -2.2472925 36 O -1.9329542 -0.6772128 -0.4894052 -0.6377605 -1.4641619 -0.2477021 -0.4849782 -0.3348950 -1.4716286 37 O -1.3456495 -0.4266519 0.0173127 -0.4284910 -2.3271249 0.3837682 0.0553957 0.4486102 -1.2697781 38 O -1.6666645 -0.4772799 -0.1119735 -0.5805607 -1.5221531 0.0762431 0.0911585 0.1863908 -1.3931784 39 O -0.8592665 0.2209492 -0.1122279 0.2337620 -1.8956856 0.9119214 -0.2033647 1.0636562 -2.5084382 40 O -1.8846236 -0.3181593 0.6263901 -0.4222816 -1.2170552 0.1478045 0.6817622 0.2063797 -1.6902569 41 O -1.6052368 0.8561028 0.5147024 0.9876477 -2.3292625 -0.8280595 0.5068886 -0.7349364 -1.5552160 42 O -1.1924284 -0.1267036 0.1546753 -0.1633843 -2.3352869 0.2314313 0.0812223 0.2209909 -1.1591458 43 O -1.2552704 -0.0435407 0.0020882 -0.0608960 -1.1752926 -0.7796704 0.0048752 -0.8004689 -2.5614042 44 O -1.6666645 -0.4772799 -0.1119735 -0.5805607 -1.5221531 0.0762431 0.0911585 0.1863908 -1.3931784 45 O -1.6052368 -0.8561028 0.5147024 -0.9876477 -2.3292625 0.8280595 0.5068886 0.7349364 -1.5552160 46 O -1.8846236 0.3181593 0.6263901 0.4222816 -1.2170552 -0.1478045 0.6817622 -0.2063797 -1.6902569 47 O -0.8592665 -0.2209492 -0.1122279 -0.2337620 -1.8956856 -0.9119214 -0.2033647 -1.0636562 -2.5084382 48 O -2.4900447 0.6881091 -0.5782042 0.7162084 -1.5583300 0.4029270 -0.3687514 0.3159278 -1.0866073 49 O -2.2944886 -0.4983464 0.1359529 -0.3829980 -1.4144699 0.0309960 0.1084603 -0.0057763 -1.1167969 50 O -2.2944886 -0.4983464 0.1359529 -0.3829980 -1.4144699 0.0309960 0.1084603 -0.0057763 -1.1167969 51 O -2.2944886 0.4983464 0.1359529 0.3829980 -1.4144699 -0.0309960 0.1084603 0.0057763 -1.1167969 52 O -1.2552704 0.0435407 0.0020882 0.0608960 -1.1752926 0.7796704 0.0048752 0.8004689 -2.5614042 53 O -1.8846236 -0.3181593 0.6263901 -0.4222816 -1.2170552 0.1478045 0.6817622 0.2063797 -1.6902569 54 O -1.3456495 0.4266519 0.0173127 0.4284910 -2.3271249 -0.3837682 0.0553957 -0.4486102 -1.2697781 55 O -1.1924284 -0.1267036 0.1546753 -0.1633843 -2.3352869 0.2314313 0.0812223 0.2209909 -1.1591458 56 O -1.2552704 -0.0435407 0.0020882 -0.0608960 -1.1752926 -0.7796704 0.0048752 -0.8004689 -2.5614042 57 O -1.6666645 0.4772799 -0.1119735 0.5805607 -1.5221531 -0.0762431 0.0911585 -0.1863908 -1.3931784 58 O -1.2749810 0.0103093 -0.3227395 -0.0154037 -1.1917593 0.2175014 -0.3399313 0.3826577 -2.2472925 59 O -0.8592665 0.2209492 -0.1122279 0.2337620 -1.8956856 0.9119214 -0.2033647 1.0636562 -2.5084382 60 O -1.2749810 -0.0103093 -0.3227395 0.0154037 -1.1917593 -0.2175014 -0.3399313 -0.3826577 -2.2472925 61 O -1.3172882 -0.2629269 0.4625962 -0.2975421 -1.5255378 0.5673222 0.3651674 0.3977635 -1.8882278 62 O -1.3172882 0.2629269 0.4625962 0.2975421 -1.5255378 -0.5673222 0.3651674 -0.3977635 -1.8882278 63 O -1.9329542 -0.6772128 -0.4894052 -0.6377605 -1.4641619 -0.2477021 -0.4849782 -0.3348950 -1.4716286 64 O -1.1924284 0.1267036 0.1546753 0.1633843 -2.3352869 -0.2314313 0.0812223 -0.2209909 -1.1591458 65 O -1.9329542 0.6772128 -0.4894052 0.6377605 -1.4641619 0.2477021 -0.4849782 0.3348950 -1.4716286 66 O -1.6052368 0.8561028 0.5147024 0.9876477 -2.3292625 -0.8280595 0.5068886 -0.7349364 -1.5552160 67 O -1.3172882 -0.2629269 0.4625962 -0.2975421 -1.5255378 0.5673222 0.3651674 0.3977635 -1.8882278 68 O -1.6666645 0.4772799 -0.1119735 0.5805607 -1.5221531 -0.0762431 0.0911585 -0.1863908 -1.3931784 69 O -1.9329542 0.6772128 -0.4894052 0.6377605 -1.4641619 0.2477021 -0.4849782 0.3348950 -1.4716286 70 O -1.1924284 0.1267036 0.1546753 0.1633843 -2.3352869 -0.2314313 0.0812223 -0.2209909 -1.1591458 71 O -0.8592665 -0.2209492 -0.1122279 -0.2337620 -1.8956856 -0.9119214 -0.2033647 -1.0636562 -2.5084382 72 O -1.2552704 0.0435407 0.0020882 0.0608960 -1.1752926 0.7796704 0.0048752 0.8004689 -2.5614042 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) --------------------------- 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 ... [ 6 6 5 ] 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: 0.42, Number of G-points: 309, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 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 1.330 ( 0.000 0.000 0.000) 0.000 1.364 ( 0.000 0.000 0.000) 0.000 1.403 ( 0.000 0.000 0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 1.835 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 2.775 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.199 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.579 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.679 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.636 ( 0.000 0.000 0.000) 0.000 4.690 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.072 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.149 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.392 ( 0.000 0.000 0.000) 0.000 5.453 ( 0.000 0.000 0.000) 0.000 5.563 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 5.838 ( 0.000 0.000 0.000) 0.000 5.879 ( 0.000 0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 6.336 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 6.478 ( 0.000 0.000 0.000) 0.000 6.515 ( 0.000 0.000 0.000) 0.000 6.639 ( 0.000 0.000 0.000) 0.000 6.753 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.166 ( 0.000 0.000 0.000) 0.000 7.320 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.508 ( 0.000 0.000 0.000) 0.000 7.516 ( 0.000 0.000 0.000) 0.000 7.611 ( 0.000 0.000 0.000) 0.000 7.723 ( 0.000 0.000 0.000) 0.000 8.110 ( 0.000 0.000 0.000) 0.000 8.115 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.474 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.566 ( 0.000 0.000 0.000) 0.000 8.614 ( 0.000 0.000 0.000) 0.000 8.664 ( 0.000 0.000 0.000) 0.000 8.787 ( 0.000 0.000 0.000) 0.000 8.821 ( 0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 0.000) 0.000 9.131 ( 0.000 0.000 0.000) 0.000 9.276 ( 0.000 0.000 0.000) 0.000 9.307 ( 0.000 0.000 0.000) 0.000 9.540 ( 0.000 0.000 0.000) 0.000 9.775 ( 0.000 0.000 0.000) 0.000 9.852 ( 0.000 0.000 0.000) 0.000 9.929 ( 0.000 0.000 0.000) 0.000 10.264 ( 0.000 0.000 0.000) 0.000 10.431 ( 0.000 0.000 0.000) 0.000 10.474 ( 0.000 0.000 0.000) 0.000 10.782 ( 0.000 0.000 0.000) 0.000 11.143 ( 0.000 0.000 0.000) 0.000 11.297 ( 0.000 0.000 0.000) 0.000 11.348 ( 0.000 0.000 0.000) 0.000 11.404 ( 0.000 0.000 0.000) 0.000 11.423 ( 0.000 0.000 0.000) 0.000 11.478 ( 0.000 0.000 0.000) 0.000 11.495 ( 0.000 0.000 0.000) 0.000 11.614 ( 0.000 0.000 0.000) 0.000 11.819 ( 0.000 0.000 0.000) 0.000 11.832 ( 0.000 0.000 0.000) 0.000 12.050 ( 0.000 0.000 0.000) 0.000 12.101 ( 0.000 0.000 0.000) 0.000 12.212 ( 0.000 0.000 0.000) 0.000 12.468 ( 0.000 0.000 0.000) 0.000 12.531 ( 0.000 0.000 0.000) 0.000 12.536 ( 0.000 0.000 0.000) 0.000 12.947 ( 0.000 0.000 0.000) 0.000 13.039 ( 0.000 0.000 0.000) 0.000 13.107 ( 0.000 0.000 0.000) 0.000 13.270 ( 0.000 0.000 0.000) 0.000 13.452 ( 0.000 0.000 0.000) 0.000 13.521 ( 0.000 0.000 0.000) 0.000 13.872 ( 0.000 0.000 0.000) 0.000 13.885 ( 0.000 0.000 0.000) 0.000 14.024 ( 0.000 0.000 0.000) 0.000 14.131 ( 0.000 0.000 0.000) 0.000 14.257 ( 0.000 0.000 0.000) 0.000 14.362 ( 0.000 0.000 0.000) 0.000 14.425 ( 0.000 0.000 0.000) 0.000 14.599 ( 0.000 0.000 0.000) 0.000 14.680 ( 0.000 0.000 0.000) 0.000 14.696 ( 0.000 0.000 0.000) 0.000 14.996 ( 0.000 0.000 0.000) 0.000 15.239 ( 0.000 0.000 0.000) 0.000 15.313 ( 0.000 0.000 0.000) 0.000 15.332 ( 0.000 0.000 0.000) 0.000 15.446 ( 0.000 0.000 0.000) 0.000 15.518 ( 0.000 0.000 0.000) 0.000 15.628 ( 0.000 0.000 0.000) 0.000 15.712 ( 0.000 0.000 0.000) 0.000 15.824 ( 0.000 0.000 0.000) 0.000 15.936 ( 0.000 0.000 0.000) 0.000 16.216 ( 0.000 0.000 0.000) 0.000 16.307 ( 0.000 0.000 0.000) 0.000 16.524 ( 0.000 0.000 0.000) 0.000 16.680 ( 0.000 0.000 0.000) 0.000 16.840 ( 0.000 0.000 0.000) 0.000 16.955 ( 0.000 0.000 0.000) 0.000 17.406 ( 0.000 0.000 0.000) 0.000 17.444 ( 0.000 0.000 0.000) 0.000 17.470 ( 0.000 0.000 0.000) 0.000 17.578 ( 0.000 0.000 0.000) 0.000 20.411 ( 0.000 0.000 0.000) 0.000 20.583 ( 0.000 0.000 0.000) 0.000 20.620 ( 0.000 0.000 0.000) 0.000 20.651 ( 0.000 0.000 0.000) 0.000 20.798 ( 0.000 0.000 0.000) 0.000 20.820 ( 0.000 0.000 0.000) 0.000 20.823 ( 0.000 0.000 0.000) 0.000 21.137 ( 0.000 0.000 0.000) 0.000 21.186 ( 0.000 0.000 0.000) 0.000 21.321 ( 0.000 0.000 0.000) 0.000 21.495 ( 0.000 0.000 0.000) 0.000 21.678 ( 0.000 0.000 0.000) 0.000 22.783 ( 0.000 0.000 0.000) 0.000 23.066 ( 0.000 0.000 0.000) 0.000 23.195 ( 0.000 0.000 0.000) 0.000 23.310 ( 0.000 0.000 0.000) 0.000 24.741 ( 0.000 0.000 0.000) 0.000 24.750 ( 0.000 0.000 0.000) 0.000 25.963 ( 0.000 0.000 0.000) 0.000 26.348 ( 0.000 0.000 0.000) 0.000 26.430 ( 0.000 0.000 0.000) 0.000 26.587 ( 0.000 0.000 0.000) 0.000 27.799 ( 0.000 0.000 0.000) 0.000 27.864 ( 0.000 0.000 0.000) 0.000 28.947 ( 0.000 0.000 0.000) 0.000 28.991 ( 0.000 0.000 0.000) 0.000 29.272 ( 0.000 0.000 0.000) 0.000 29.778 ( 0.000 0.000 0.000) 0.000 30.083 ( 0.000 0.000 0.000) 0.000 30.183 ( 0.000 0.000 0.000) 0.000 30.293 ( 0.000 0.000 0.000) 0.000 30.298 ( 0.000 0.000 0.000) 0.000 31.038 ( 0.000 0.000 0.000) 0.000 31.273 ( 0.000 0.000 0.000) 0.000 31.417 ( 0.000 0.000 0.000) 0.000 31.435 ( 0.000 0.000 0.000) 0.000 31.661 ( 0.000 0.000 0.000) 0.000 31.672 ( 0.000 0.000 0.000) 0.000 32.066 ( 0.000 0.000 0.000) 0.000 32.200 ( 0.000 0.000 0.000) 0.000 32.479 ( 0.000 0.000 0.000) 0.000 32.490 ( 0.000 0.000 0.000) 0.000 33.116 ( 0.000 0.000 0.000) 0.000 33.273 ( 0.000 0.000 0.000) 0.000 33.380 ( 0.000 0.000 0.000) 0.000 33.671 ( 0.000 0.000 0.000) 0.000 33.676 ( 0.000 0.000 0.000) 0.000 34.389 ( 0.000 0.000 0.000) 0.000 35.587 ( 0.000 0.000 0.000) 0.000 35.674 ( 0.000 0.000 0.000) 0.000 35.680 ( 0.000 0.000 0.000) 0.000 35.861 ( 0.000 0.000 0.000) 0.000 35.921 ( 0.000 0.000 0.000) 0.000 35.953 ( 0.000 0.000 0.000) 0.000 36.103 ( 0.000 0.000 0.000) 0.000 36.197 ( 0.000 0.000 0.000) 0.000 36.198 ( 0.000 0.000 0.000) 0.000 36.272 ( 0.000 0.000 0.000) 0.000 36.369 ( 0.000 0.000 0.000) 0.000 36.583 ( 0.000 0.000 0.000) 0.000 36.767 ( 0.000 0.000 0.000) 0.000 37.798 ( 0.000 0.000 0.000) 0.000 38.301 ( 0.000 0.000 0.000) 0.000 38.383 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 16.790 0.000 7.543) 18.407 0.563 ( 29.073 0.000 7.599) 30.050 0.774 ( 25.233 0.000 28.364) 37.963 1.315 ( -1.818 0.000 -8.160) 8.360 1.346 ( 1.246 0.000 1.431) 1.897 1.371 ( -1.852 0.000 -1.188) 2.200 1.568 ( -2.769 0.000 -0.318) 2.787 1.585 ( -9.378 0.000 -11.214) 14.619 1.639 ( -1.579 0.000 -3.282) 3.643 1.886 ( -1.789 0.000 -1.436) 2.293 1.950 ( 7.400 0.000 -1.313) 7.516 2.052 ( -0.659 0.000 7.356) 7.386 2.072 ( 2.717 0.000 3.227) 4.219 2.178 ( -2.970 0.000 -0.950) 3.118 2.201 ( 5.324 0.000 -7.211) 8.964 2.245 ( -1.411 0.000 0.416) 1.471 2.404 ( -8.943 0.000 -1.518) 9.071 2.449 ( -6.905 0.000 -12.590) 14.359 2.526 ( -8.417 0.000 -6.752) 10.790 2.583 ( -4.470 0.000 -1.089) 4.601 2.845 ( -6.046 0.000 -4.954) 7.817 2.921 ( 4.497 0.000 4.540) 6.390 3.086 ( -6.699 0.000 2.705) 7.224 3.129 ( -5.054 0.000 0.410) 5.071 3.213 ( 0.110 0.000 -3.587) 3.589 3.364 ( 4.377 0.000 9.223) 10.209 3.395 ( 4.896 0.000 -11.161) 12.188 3.438 ( -0.300 0.000 -0.599) 0.670 3.527 ( -4.574 0.000 -4.489) 6.409 3.593 ( -1.603 0.000 4.677) 4.944 3.700 ( -2.903 0.000 10.688) 11.075 3.820 ( -1.394 0.000 -11.357) 11.443 3.846 ( -3.487 0.000 -3.559) 4.983 3.909 ( -3.224 0.000 0.104) 3.225 3.928 ( -5.336 0.000 5.973) 8.010 4.003 ( -3.940 0.000 4.208) 5.764 4.199 ( -1.751 0.000 4.436) 4.769 4.352 ( 1.908 0.000 8.588) 8.798 4.378 ( -0.066 0.000 -4.898) 4.899 4.556 ( -2.940 0.000 -2.449) 3.826 4.588 ( -2.552 0.000 -3.713) 4.505 4.685 ( 0.956 0.000 1.622) 1.883 4.711 ( 2.040 0.000 0.030) 2.041 4.772 ( 4.315 0.000 -1.077) 4.448 4.937 ( -3.309 0.000 0.276) 3.320 4.963 ( 1.004 0.000 -1.997) 2.235 4.986 ( -9.521 0.000 -0.588) 9.539 5.133 ( -0.984 0.000 -1.481) 1.778 5.140 ( 6.415 0.000 -3.672) 7.392 5.193 ( 3.085 0.000 1.461) 3.414 5.227 ( -5.671 0.000 -6.824) 8.873 5.255 ( 5.922 0.000 2.030) 6.260 5.397 ( 2.019 0.000 7.309) 7.583 5.423 ( 4.976 0.000 -1.000) 5.075 5.529 ( 1.296 0.000 2.824) 3.107 5.609 ( 2.661 0.000 3.827) 4.661 5.736 ( 3.052 0.000 -1.674) 3.481 5.755 ( -7.632 0.000 -1.029) 7.701 5.849 ( 3.154 0.000 1.120) 3.347 5.851 ( 1.773 0.000 -1.926) 2.618 6.075 ( 6.271 0.000 -0.179) 6.273 6.156 ( 0.480 0.000 0.701) 0.849 6.270 ( -2.023 0.000 -4.950) 5.347 6.317 ( -4.447 0.000 2.571) 5.136 6.413 ( 4.981 0.000 -3.271) 5.960 6.431 ( -4.428 0.000 -1.033) 4.547 6.510 ( -1.976 0.000 -3.552) 4.064 6.752 ( 4.586 0.000 6.165) 7.684 6.788 ( 0.488 0.000 -4.440) 4.466 6.929 ( -5.396 0.000 0.558) 5.425 7.296 ( -1.896 0.000 -3.444) 3.932 7.297 ( 7.693 0.000 1.491) 7.836 7.361 ( 3.425 0.000 0.122) 3.427 7.471 ( 2.616 0.000 -6.349) 6.866 7.514 ( -2.041 0.000 3.404) 3.969 7.624 ( -2.367 0.000 2.725) 3.609 7.730 ( -0.147 0.000 2.373) 2.377 8.085 ( 2.064 0.000 -5.960) 6.307 8.129 ( -0.248 0.000 2.060) 2.075 8.171 ( 2.106 0.000 -0.748) 2.235 8.442 ( -0.842 0.000 0.963) 1.280 8.458 ( -5.050 0.000 0.983) 5.145 8.575 ( 6.002 0.000 0.411) 6.016 8.594 ( 1.566 0.000 -1.778) 2.370 8.667 ( 3.561 0.000 -2.067) 4.117 8.730 ( -2.918 0.000 -1.923) 3.495 8.763 ( 3.864 0.000 -1.758) 4.245 8.853 ( 1.388 0.000 0.686) 1.548 9.103 ( 1.963 0.000 -0.535) 2.034 9.116 ( -1.087 0.000 -1.032) 1.500 9.291 ( -0.026 0.000 2.691) 2.691 9.304 ( -0.703 0.000 0.573) 0.907 9.542 ( 2.394 0.000 -3.382) 4.144 9.779 ( 1.978 0.000 -2.033) 2.837 9.871 ( -1.028 0.000 4.580) 4.694 9.932 ( -1.098 0.000 1.599) 1.940 10.254 ( -2.978 0.000 2.563) 3.929 10.436 ( 1.589 0.000 -1.223) 2.005 10.461 ( -0.059 0.000 -2.532) 2.532 10.755 ( -3.150 0.000 -0.090) 3.151 11.165 ( 2.840 0.000 -3.311) 4.362 11.284 ( -2.405 0.000 0.607) 2.480 11.344 ( -0.500 0.000 0.146) 0.521 11.381 ( -0.254 0.000 -1.478) 1.499 11.474 ( 0.475 0.000 -1.143) 1.237 11.519 ( 2.127 0.000 -0.644) 2.222 11.542 ( -4.824 0.000 7.740) 9.120 11.643 ( 3.062 0.000 -0.137) 3.065 11.787 ( -2.230 0.000 0.323) 2.253 11.870 ( 1.945 0.000 1.103) 2.236 12.033 ( -3.262 0.000 2.653) 4.205 12.090 ( -0.512 0.000 -1.131) 1.241 12.257 ( 6.163 0.000 -2.364) 6.601 12.492 ( 0.242 0.000 -2.564) 2.575 12.501 ( -1.545 0.000 5.685) 5.891 12.601 ( 0.815 0.000 5.502) 5.562 12.964 ( 1.742 0.000 -0.312) 1.770 13.060 ( 1.149 0.000 2.441) 2.698 13.109 ( 0.510 0.000 -0.517) 0.726 13.284 ( 1.124 0.000 0.719) 1.335 13.461 ( 1.845 0.000 -1.293) 2.253 13.567 ( -1.403 0.000 -1.221) 1.860 13.852 ( -1.597 0.000 0.296) 1.624 13.906 ( 0.079 0.000 1.781) 1.783 14.049 ( 0.565 0.000 3.468) 3.513 14.172 ( 8.438 0.000 -5.381) 10.008 14.248 ( 0.414 0.000 -2.512) 2.546 14.382 ( -0.609 0.000 4.090) 4.135 14.438 ( 1.681 0.000 -0.181) 1.690 14.679 ( -2.410 0.000 3.878) 4.566 14.711 ( 2.890 0.000 -1.826) 3.419 14.773 ( 0.179 0.000 -2.788) 2.794 14.979 ( -1.849 0.000 -0.402) 1.892 15.279 ( 0.269 0.000 3.434) 3.444 15.320 ( 0.732 0.000 0.073) 0.735 15.375 ( -3.089 0.000 1.081) 3.273 15.463 ( 1.040 0.000 -4.869) 4.979 15.594 ( 6.053 0.000 -1.312) 6.194 15.707 ( -4.898 0.000 5.993) 7.740 15.717 ( -3.732 0.000 0.206) 3.737 15.909 ( -2.948 0.000 0.428) 2.979 16.047 ( -4.963 0.000 4.635) 6.791 16.231 ( -4.291 0.000 5.302) 6.821 16.265 ( 1.414 0.000 -5.308) 5.493 16.518 ( -0.165 0.000 -0.780) 0.798 16.655 ( -2.421 0.000 -1.171) 2.689 16.855 ( 1.901 0.000 -0.182) 1.909 17.028 ( -3.269 0.000 1.531) 3.610 17.418 ( 0.272 0.000 1.400) 1.426 17.475 ( 0.465 0.000 0.305) 0.556 17.518 ( -0.670 0.000 -0.837) 1.072 17.573 ( -0.643 0.000 -0.041) 0.644 20.422 ( 0.745 0.000 0.792) 1.087 20.602 ( -1.081 0.000 -1.411) 1.777 20.640 ( -0.151 0.000 -1.547) 1.555 20.784 ( -1.451 0.000 0.690) 1.606 20.808 ( -0.763 0.000 1.628) 1.798 20.811 ( -1.345 0.000 0.482) 1.429 20.880 ( 4.399 0.000 -3.474) 5.605 21.136 ( 0.590 0.000 -1.204) 1.340 21.198 ( 2.278 0.000 -2.639) 3.486 21.317 ( -0.319 0.000 -0.299) 0.437 21.498 ( 0.660 0.000 -0.255) 0.708 21.670 ( -0.672 0.000 -0.582) 0.889 22.751 ( -2.308 0.000 -1.676) 2.853 23.078 ( 1.041 0.000 0.311) 1.087 23.210 ( 1.104 0.000 0.896) 1.422 23.390 ( 0.960 0.000 -1.714) 1.965 24.714 ( -0.760 0.000 -1.440) 1.629 24.777 ( 1.142 0.000 0.818) 1.405 25.986 ( 6.724 0.000 -6.097) 9.077 26.311 ( -17.339 0.000 20.077) 26.528 26.429 ( 8.717 0.000 -11.847) 14.708 26.682 ( 7.168 0.000 3.500) 7.977 27.809 ( 1.609 0.000 -0.614) 1.723 28.257 ( -1.888 0.000 -1.133) 2.201 29.044 ( 7.957 0.000 -2.610) 8.374 29.282 ( -0.072 0.000 1.993) 1.994 29.745 ( -2.705 0.000 -1.769) 3.232 29.774 ( -16.867 0.000 18.460) 25.006 30.090 ( 0.376 0.000 0.722) 0.814 30.261 ( -1.966 0.000 -0.033) 1.967 30.317 ( 0.785 0.000 -0.403) 0.882 30.378 ( -12.290 0.000 9.334) 15.433 31.063 ( -0.267 0.000 4.194) 4.202 31.296 ( -7.629 0.000 5.894) 9.640 31.415 ( -3.172 0.000 4.445) 5.461 31.444 ( 3.738 0.000 -4.055) 5.515 31.629 ( -8.197 0.000 7.072) 10.826 31.673 ( 5.541 0.000 -8.321) 9.997 32.102 ( 1.578 0.000 3.232) 3.596 32.255 ( -2.263 0.000 5.127) 5.604 32.479 ( -2.196 0.000 2.973) 3.696 32.550 ( 1.159 0.000 3.495) 3.682 33.119 ( -0.767 0.000 1.906) 2.054 33.267 ( 3.978 0.000 -7.333) 8.343 33.394 ( -2.849 0.000 6.599) 7.188 33.660 ( -0.861 0.000 -1.332) 1.586 33.940 ( -1.024 0.000 4.073) 4.200 34.347 ( -3.496 0.000 -2.421) 4.252 35.573 ( -1.292 0.000 -0.003) 1.292 35.674 ( -0.166 0.000 0.075) 0.182 35.686 ( 0.223 0.000 0.009) 0.223 35.852 ( -0.604 0.000 -0.557) 0.822 35.922 ( -1.165 0.000 1.264) 1.719 35.957 ( 0.346 0.000 0.200) 0.400 36.087 ( 0.136 0.000 -1.499) 1.505 36.156 ( -2.287 0.000 -1.114) 2.543 36.329 ( 4.904 0.000 0.820) 4.972 36.410 ( 1.693 0.000 4.278) 4.601 36.577 ( -0.117 0.000 -0.776) 0.784 36.758 ( -1.826 0.000 0.450) 1.881 37.344 ( 29.045 0.000 -38.609) 48.315 37.838 ( 4.574 0.000 -0.098) 4.576 38.251 ( -6.691 0.000 0.642) 6.721 38.381 ( -0.577 0.000 0.525) 0.780 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 3.918 0.000 -4.795) 6.192 1.084 ( 23.178 0.000 7.029) 24.220 1.125 ( -2.523 0.000 -11.136) 11.418 1.271 ( 5.616 0.000 7.352) 9.252 1.364 ( 1.021 0.000 0.938) 1.386 1.399 ( -1.297 0.000 -3.764) 3.981 1.422 ( 3.375 0.000 2.993) 4.511 1.537 ( -0.811 0.000 2.055) 2.209 1.657 ( 3.943 0.000 7.411) 8.395 1.742 ( -10.015 0.000 -4.672) 11.051 1.963 ( -10.664 0.000 0.743) 10.690 2.062 ( 6.016 0.000 -1.086) 6.113 2.067 ( -6.425 0.000 -0.518) 6.445 2.198 ( 4.223 0.000 -4.277) 6.010 2.206 ( 5.170 0.000 -2.343) 5.676 2.255 ( -6.063 0.000 -7.834) 9.906 2.295 ( 6.625 0.000 -4.722) 8.136 2.316 ( -0.229 0.000 4.617) 4.623 2.370 ( 0.395 0.000 -0.692) 0.797 2.499 ( -4.103 0.000 -2.027) 4.576 2.669 ( -7.992 0.000 -0.573) 8.013 2.915 ( -11.406 0.000 -2.032) 11.586 2.938 ( -1.288 0.000 -0.680) 1.457 3.130 ( -3.535 0.000 5.935) 6.908 3.217 ( -7.751 0.000 -11.923) 14.221 3.230 ( 1.488 0.000 -2.955) 3.308 3.353 ( 4.670 0.000 -8.685) 9.861 3.444 ( -4.856 0.000 7.148) 8.641 3.577 ( -4.634 0.000 -4.577) 6.513 3.598 ( 4.663 0.000 7.181) 8.562 3.678 ( -1.515 0.000 -10.528) 10.636 3.686 ( -1.347 0.000 0.241) 1.368 3.816 ( -4.555 0.000 10.577) 11.516 3.878 ( 1.413 0.000 -1.224) 1.869 3.938 ( -6.571 0.000 9.451) 11.511 3.981 ( -1.879 0.000 1.495) 2.402 4.177 ( 2.297 0.000 -3.031) 3.803 4.352 ( 6.122 0.000 -8.223) 10.251 4.413 ( -5.006 0.000 -2.159) 5.452 4.487 ( -6.821 0.000 3.708) 7.764 4.540 ( -0.129 0.000 4.971) 4.973 4.694 ( -9.204 0.000 -1.089) 9.268 4.707 ( 1.780 0.000 -1.311) 2.211 4.782 ( 1.282 0.000 0.534) 1.389 4.846 ( -0.650 0.000 -2.146) 2.243 4.934 ( -1.609 0.000 4.184) 4.482 5.027 ( -4.390 0.000 -3.344) 5.518 5.036 ( 7.342 0.000 -0.031) 7.342 5.143 ( 0.804 0.000 -1.248) 1.485 5.186 ( 2.495 0.000 -1.779) 3.064 5.254 ( 0.482 0.000 -0.736) 0.879 5.386 ( 7.859 0.000 -1.921) 8.091 5.440 ( 2.263 0.000 -3.575) 4.231 5.497 ( 0.231 0.000 5.528) 5.533 5.625 ( 2.858 0.000 4.189) 5.071 5.630 ( -5.460 0.000 2.719) 6.100 5.733 ( 5.437 0.000 1.896) 5.758 5.758 ( 2.223 0.000 0.245) 2.236 5.871 ( 2.547 0.000 -0.701) 2.642 5.940 ( 6.493 0.000 -0.816) 6.545 6.121 ( 3.158 0.000 -9.249) 9.773 6.145 ( -0.655 0.000 -1.592) 1.721 6.176 ( -5.030 0.000 3.080) 5.898 6.247 ( -6.670 0.000 2.336) 7.067 6.391 ( -0.198 0.000 -0.357) 0.408 6.402 ( -7.781 0.000 0.129) 7.782 6.471 ( 5.702 0.000 -2.830) 6.365 6.674 ( -7.805 0.000 -0.877) 7.854 6.885 ( 2.474 0.000 8.407) 8.764 6.964 ( 3.928 0.000 1.870) 4.351 7.183 ( -2.056 0.000 -10.142) 10.348 7.398 ( 5.264 0.000 -2.545) 5.847 7.423 ( 2.296 0.000 1.652) 2.828 7.491 ( 2.997 0.000 -0.352) 3.017 7.515 ( -2.442 0.000 3.351) 4.147 7.595 ( -2.576 0.000 0.337) 2.598 7.765 ( 0.429 0.000 2.925) 2.956 8.066 ( 2.113 0.000 -3.826) 4.371 8.160 ( 1.578 0.000 1.433) 2.131 8.174 ( 0.059 0.000 -1.782) 1.783 8.390 ( -3.972 0.000 0.780) 4.048 8.470 ( 2.452 0.000 1.074) 2.676 8.574 ( -0.596 0.000 -1.984) 2.071 8.599 ( -2.254 0.000 -2.093) 3.076 8.727 ( 4.357 0.000 -0.814) 4.432 8.742 ( 5.234 0.000 0.962) 5.322 8.801 ( 0.305 0.000 1.966) 1.989 8.869 ( -0.520 0.000 0.510) 0.728 9.081 ( -1.561 0.000 -0.853) 1.779 9.128 ( 1.393 0.000 -0.303) 1.425 9.298 ( -0.875 0.000 0.845) 1.216 9.327 ( 0.512 0.000 2.637) 2.686 9.544 ( 2.268 0.000 -3.282) 3.989 9.801 ( 4.327 0.000 -3.146) 5.350 9.903 ( -1.246 0.000 4.306) 4.483 9.912 ( -4.137 0.000 2.224) 4.697 10.254 ( -1.361 0.000 4.567) 4.765 10.414 ( -1.070 0.000 -4.242) 4.375 10.461 ( 3.110 0.000 -1.257) 3.354 10.684 ( -4.777 0.000 -0.218) 4.782 11.179 ( 1.958 0.000 -1.632) 2.549 11.240 ( -2.513 0.000 -0.111) 2.516 11.337 ( -0.598 0.000 0.257) 0.651 11.382 ( 1.088 0.000 -0.446) 1.176 11.468 ( 0.284 0.000 -0.996) 1.036 11.538 ( 1.184 0.000 -0.731) 1.391 11.550 ( -0.995 0.000 2.269) 2.478 11.690 ( 2.360 0.000 -0.054) 2.361 11.760 ( -1.143 0.000 -0.151) 1.153 11.906 ( 0.764 0.000 1.088) 1.329 12.021 ( -2.590 0.000 4.143) 4.886 12.065 ( -0.395 0.000 -1.825) 1.867 12.333 ( 4.919 0.000 -1.448) 5.128 12.483 ( 0.517 0.000 -0.665) 0.842 12.538 ( -0.750 0.000 4.033) 4.102 12.666 ( 0.626 0.000 3.704) 3.757 12.981 ( 0.502 0.000 0.016) 0.502 13.112 ( 0.424 0.000 -0.411) 0.591 13.125 ( 1.969 0.000 3.713) 4.202 13.314 ( 1.406 0.000 0.533) 1.504 13.477 ( 3.362 0.000 -4.034) 5.251 13.526 ( -3.196 0.000 1.372) 3.478 13.831 ( -1.795 0.000 1.127) 2.120 13.916 ( 0.586 0.000 -0.802) 0.994 14.107 ( 0.458 0.000 5.209) 5.229 14.218 ( 0.198 0.000 -4.001) 4.006 14.273 ( 9.206 0.000 -4.175) 10.109 14.412 ( -1.778 0.000 4.236) 4.594 14.471 ( 2.228 0.000 -0.205) 2.237 14.684 ( -1.466 0.000 2.580) 2.967 14.742 ( -1.340 0.000 -0.707) 1.515 14.754 ( 3.356 0.000 0.405) 3.381 14.930 ( -2.920 0.000 -1.225) 3.166 15.238 ( -2.817 0.000 -1.628) 3.254 15.332 ( 0.212 0.000 0.249) 0.327 15.427 ( 0.642 0.000 -3.443) 3.503 15.468 ( 2.685 0.000 9.771) 10.133 15.652 ( -0.544 0.000 -4.250) 4.285 15.658 ( 4.944 0.000 -3.466) 6.038 15.672 ( -6.512 0.000 4.847) 8.118 15.885 ( -1.205 0.000 2.563) 2.832 16.000 ( -2.309 0.000 -2.093) 3.116 16.135 ( -6.049 0.000 -1.227) 6.172 16.312 ( 3.318 0.000 1.824) 3.787 16.503 ( -0.969 0.000 -0.135) 0.978 16.578 ( -3.520 0.000 -3.290) 4.818 16.891 ( 2.811 0.000 -0.591) 2.873 16.984 ( -3.104 0.000 0.507) 3.145 17.432 ( -0.145 0.000 0.690) 0.705 17.491 ( 0.790 0.000 0.750) 1.089 17.503 ( -0.230 0.000 -0.191) 0.299 17.556 ( -0.957 0.000 -0.491) 1.076 20.446 ( 0.571 0.000 1.314) 1.433 20.563 ( -1.060 0.000 -2.064) 2.320 20.621 ( -0.091 0.000 -1.225) 1.228 20.769 ( -0.604 0.000 -0.148) 0.622 20.795 ( -1.154 0.000 0.688) 1.343 20.810 ( -0.207 0.000 0.335) 0.393 20.916 ( 1.879 0.000 0.060) 1.880 21.127 ( 0.148 0.000 -1.417) 1.425 21.208 ( 0.950 0.000 -0.488) 1.068 21.305 ( -0.471 0.000 -0.427) 0.636 21.514 ( 1.505 0.000 -0.033) 1.505 21.643 ( -1.408 0.000 -0.924) 1.684 22.693 ( -2.113 0.000 -1.572) 2.633 23.099 ( 0.908 0.000 0.219) 0.934 23.243 ( 1.292 0.000 1.044) 1.661 23.384 ( 0.121 0.000 -0.890) 0.898 24.691 ( -0.486 0.000 -0.771) 0.912 24.799 ( 0.623 0.000 0.489) 0.792 26.042 ( 10.679 0.000 -10.419) 14.920 26.239 ( -16.157 0.000 17.991) 24.180 26.454 ( 5.172 0.000 -5.299) 7.405 26.843 ( 6.212 0.000 4.030) 7.405 27.834 ( 2.077 0.000 -0.725) 2.200 28.208 ( -3.520 0.000 0.938) 3.643 29.177 ( 11.566 0.000 -3.639) 12.125 29.309 ( -0.109 0.000 2.987) 2.989 29.662 ( -3.517 0.000 -3.032) 4.644 29.669 ( -13.760 0.000 9.107) 16.501 30.113 ( 0.946 0.000 1.666) 1.916 30.236 ( -1.210 0.000 0.282) 1.243 30.266 ( -6.126 0.000 -0.955) 6.200 30.313 ( -0.031 0.000 -1.001) 1.002 31.101 ( -1.479 0.000 4.919) 5.137 31.236 ( -1.757 0.000 -1.768) 2.492 31.410 ( -2.239 0.000 2.858) 3.631 31.467 ( 4.256 0.000 -3.932) 5.794 31.563 ( -6.781 0.000 4.213) 7.983 31.676 ( 2.880 0.000 -3.912) 4.858 32.162 ( 0.767 0.000 3.395) 3.481 32.273 ( 0.672 0.000 0.198) 0.701 32.485 ( -0.606 0.000 1.993) 2.083 32.608 ( 1.782 0.000 1.938) 2.633 33.137 ( -0.923 0.000 3.892) 4.000 33.243 ( 3.498 0.000 -8.236) 8.948 33.420 ( -2.446 0.000 5.750) 6.249 33.628 ( -0.727 0.000 -1.692) 1.842 33.989 ( 2.519 0.000 3.187) 4.063 34.234 ( -5.588 0.000 -3.917) 6.824 35.557 ( -0.551 0.000 0.089) 0.558 35.669 ( -0.399 0.000 -0.021) 0.399 35.679 ( -0.895 0.000 -0.117) 0.903 35.838 ( -0.712 0.000 -0.099) 0.719 35.913 ( -0.991 0.000 0.982) 1.395 35.965 ( 0.236 0.000 0.218) 0.321 36.086 ( 0.840 0.000 -0.792) 1.155 36.121 ( -0.645 0.000 -0.851) 1.068 36.438 ( 6.916 0.000 1.369) 7.051 36.482 ( 1.944 0.000 2.906) 3.496 36.563 ( -0.032 0.000 -1.628) 1.629 36.703 ( -5.043 0.000 -0.423) 5.060 37.420 ( 14.082 0.000 -13.451) 19.474 37.921 ( 4.566 0.000 0.213) 4.571 38.126 ( -7.880 0.000 0.081) 7.881 38.378 ( -0.375 0.000 0.411) 0.556 ======================= Grid point 3 (4/64) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 0.000 0.000 0.000) 0.000 1.081 ( 0.000 0.000 0.000) 0.000 1.306 ( 0.000 0.000 -0.000) 0.000 1.338 ( 0.000 0.000 0.000) 0.000 1.338 ( 0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.505 ( 0.000 0.000 0.000) 0.000 1.526 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.744 ( 0.000 0.000 0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.008 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 -0.000) 0.000 2.275 ( 0.000 0.000 -0.000) 0.000 2.298 ( 0.000 0.000 0.000) 0.000 2.318 ( -0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.414 ( 0.000 0.000 0.000) 0.000 2.415 ( -0.000 0.000 -0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 2.964 ( -0.000 0.000 -0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 -0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 3.915 ( 0.000 0.000 -0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.250 ( -0.000 0.000 -0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 4.375 ( -0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 4.978 ( 0.000 0.000 -0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 -0.000) 0.000 5.168 ( -0.000 0.000 0.000) 0.000 5.228 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 -0.000) 0.000 5.487 ( -0.000 0.000 0.000) 0.000 5.624 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 5.989 ( -0.000 0.000 0.000) 0.000 6.050 ( 0.000 0.000 0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.184 ( -0.000 0.000 -0.000) 0.000 6.312 ( 0.000 0.000 -0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.529 ( -0.000 0.000 0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 7.015 ( 0.000 0.000 0.000) 0.000 7.026 ( 0.000 0.000 0.000) 0.000 7.032 ( -0.000 0.000 -0.000) 0.000 7.426 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 0.000) 0.000 7.510 ( -0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.565 ( 0.000 0.000 0.000) 0.000 7.788 ( 0.000 0.000 0.000) 0.000 8.064 ( 0.000 0.000 0.000) 0.000 8.159 ( 0.000 0.000 0.000) 0.000 8.188 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 -0.000) 0.000 8.519 ( -0.000 0.000 -0.000) 0.000 8.544 ( 0.000 0.000 0.000) 0.000 8.554 ( 0.000 0.000 0.000) 0.000 8.763 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 0.000 0.000) 0.000 8.823 ( -0.000 0.000 -0.000) 0.000 8.845 ( 0.000 0.000 0.000) 0.000 9.061 ( 0.000 0.000 0.000) 0.000 9.138 ( 0.000 0.000 0.000) 0.000 9.295 ( 0.000 0.000 0.000) 0.000 9.348 ( 0.000 0.000 0.000) 0.000 9.545 ( 0.000 0.000 0.000) 0.000 9.847 ( -0.000 0.000 0.000) 0.000 9.860 ( 0.000 0.000 -0.000) 0.000 9.917 ( 0.000 0.000 0.000) 0.000 10.286 ( 0.000 0.000 0.000) 0.000 10.364 ( 0.000 0.000 0.000) 0.000 10.491 ( 0.000 0.000 0.000) 0.000 10.630 ( 0.000 0.000 0.000) 0.000 11.187 ( 0.000 0.000 0.000) 0.000 11.217 ( 0.000 0.000 0.000) 0.000 11.332 ( 0.000 0.000 0.000) 0.000 11.390 ( 0.000 0.000 0.000) 0.000 11.465 ( 0.000 0.000 0.000) 0.000 11.544 ( 0.000 0.000 0.000) 0.000 11.555 ( 0.000 0.000 0.000) 0.000 11.710 ( 0.000 0.000 0.000) 0.000 11.750 ( 0.000 0.000 0.000) 0.000 11.918 ( 0.000 0.000 0.000) 0.000 12.030 ( 0.000 0.000 0.000) 0.000 12.046 ( 0.000 0.000 -0.000) 0.000 12.368 ( 0.000 0.000 0.000) 0.000 12.485 ( 0.000 0.000 0.000) 0.000 12.555 ( 0.000 0.000 0.000) 0.000 12.692 ( 0.000 0.000 0.000) 0.000 12.984 ( 0.000 0.000 0.000) 0.000 13.113 ( 0.000 0.000 0.000) 0.000 13.169 ( 0.000 0.000 0.000) 0.000 13.330 ( 0.000 0.000 0.000) 0.000 13.479 ( -0.000 0.000 0.000) 0.000 13.509 ( 0.000 0.000 -0.000) 0.000 13.822 ( 0.000 0.000 0.000) 0.000 13.915 ( 0.000 0.000 0.000) 0.000 14.165 ( 0.000 0.000 -0.000) 0.000 14.172 ( 0.000 0.000 0.000) 0.000 14.338 ( 0.000 0.000 -0.000) 0.000 14.414 ( 0.000 0.000 0.000) 0.000 14.491 ( 0.000 0.000 0.000) 0.000 14.686 ( 0.000 0.000 0.000) 0.000 14.725 ( 0.000 0.000 0.000) 0.000 14.804 ( 0.000 0.000 -0.000) 0.000 14.880 ( 0.000 0.000 0.000) 0.000 15.203 ( 0.000 0.000 0.000) 0.000 15.333 ( 0.000 0.000 0.000) 0.000 15.416 ( 0.000 0.000 0.000) 0.000 15.561 ( 0.000 0.000 0.000) 0.000 15.629 ( 0.000 0.000 -0.000) 0.000 15.630 ( -0.000 0.000 0.000) 0.000 15.682 ( 0.000 0.000 -0.000) 0.000 15.910 ( 0.000 0.000 0.000) 0.000 15.949 ( 0.000 0.000 0.000) 0.000 16.066 ( 0.000 0.000 0.000) 0.000 16.369 ( -0.000 0.000 0.000) 0.000 16.481 ( 0.000 0.000 0.000) 0.000 16.521 ( 0.000 0.000 0.000) 0.000 16.922 ( 0.000 0.000 0.000) 0.000 16.951 ( -0.000 0.000 0.000) 0.000 17.432 ( 0.000 0.000 0.000) 0.000 17.502 ( 0.000 0.000 -0.000) 0.000 17.507 ( -0.000 0.000 -0.000) 0.000 17.540 ( 0.000 0.000 0.000) 0.000 20.460 ( 0.000 0.000 0.000) 0.000 20.539 ( 0.000 0.000 0.000) 0.000 20.614 ( 0.000 0.000 0.000) 0.000 20.763 ( 0.000 0.000 0.000) 0.000 20.790 ( 0.000 0.000 0.000) 0.000 20.810 ( 0.000 0.000 -0.000) 0.000 20.933 ( 0.000 0.000 0.000) 0.000 21.119 ( 0.000 0.000 0.000) 0.000 21.214 ( 0.000 0.000 0.000) 0.000 21.298 ( 0.000 0.000 0.000) 0.000 21.533 ( 0.000 0.000 0.000) 0.000 21.620 ( 0.000 0.000 0.000) 0.000 22.665 ( 0.000 0.000 0.000) 0.000 23.108 ( 0.000 0.000 0.000) 0.000 23.262 ( 0.000 0.000 0.000) 0.000 23.379 ( 0.000 0.000 0.000) 0.000 24.683 ( 0.000 0.000 0.000) 0.000 24.807 ( 0.000 0.000 0.000) 0.000 26.084 ( -0.000 0.000 0.000) 0.000 26.194 ( 0.000 0.000 -0.000) 0.000 26.469 ( 0.000 0.000 0.000) 0.000 26.924 ( 0.000 0.000 0.000) 0.000 27.850 ( 0.000 0.000 0.000) 0.000 28.181 ( 0.000 0.000 0.000) 0.000 29.279 ( 0.000 0.000 0.000) 0.000 29.329 ( 0.000 0.000 0.000) 0.000 29.579 ( 0.000 0.000 0.000) 0.000 29.607 ( 0.000 0.000 0.000) 0.000 30.149 ( -0.000 0.000 -0.000) 0.000 30.188 ( 0.000 0.000 0.000) 0.000 30.228 ( 0.000 0.000 0.000) 0.000 30.306 ( 0.000 0.000 0.000) 0.000 31.115 ( 0.000 0.000 -0.000) 0.000 31.212 ( 0.000 0.000 0.000) 0.000 31.407 ( 0.000 0.000 0.000) 0.000 31.492 ( 0.000 0.000 0.000) 0.000 31.517 ( -0.000 0.000 0.000) 0.000 31.679 ( 0.000 0.000 0.000) 0.000 32.188 ( 0.000 0.000 0.000) 0.000 32.279 ( 0.000 0.000 0.000) 0.000 32.493 ( 0.000 0.000 0.000) 0.000 32.635 ( 0.000 0.000 0.000) 0.000 33.158 ( 0.000 0.000 -0.000) 0.000 33.219 ( 0.000 0.000 0.000) 0.000 33.432 ( 0.000 0.000 0.000) 0.000 33.611 ( 0.000 0.000 0.000) 0.000 34.076 ( 0.000 0.000 0.000) 0.000 34.115 ( -0.000 0.000 -0.000) 0.000 35.554 ( 0.000 0.000 0.000) 0.000 35.665 ( 0.000 0.000 0.000) 0.000 35.667 ( 0.000 0.000 0.000) 0.000 35.830 ( 0.000 0.000 0.000) 0.000 35.912 ( 0.000 0.000 0.000) 0.000 35.968 ( 0.000 0.000 0.000) 0.000 36.089 ( 0.000 0.000 0.000) 0.000 36.113 ( 0.000 0.000 0.000) 0.000 36.526 ( -0.000 0.000 -0.000) 0.000 36.543 ( 0.000 0.000 0.000) 0.000 36.550 ( 0.000 0.000 0.000) 0.000 36.613 ( 0.000 0.000 0.000) 0.000 37.473 ( 0.000 0.000 0.000) 0.000 37.963 ( 0.000 0.000 0.000) 0.000 38.049 ( 0.000 0.000 0.000) 0.000 38.378 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/64) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.000 25.674 0.000) 25.674 0.724 ( 0.000 36.558 0.000) 36.558 0.946 ( 0.000 44.817 0.000) 44.817 1.362 ( 0.000 2.561 0.000) 2.561 1.392 ( 0.000 2.553 0.000) 2.553 1.435 ( 0.000 1.975 0.000) 1.975 1.588 ( 0.000 0.865 0.000) 0.865 1.729 ( 0.000 0.292 0.000) 0.292 1.766 ( 0.000 -3.086 0.000) 3.086 1.882 ( 0.000 3.154 0.000) 3.154 1.915 ( 0.000 0.880 0.000) 0.880 1.998 ( 0.000 -0.833 0.000) 0.833 2.027 ( 0.000 0.321 0.000) 0.321 2.173 ( 0.000 -2.378 0.000) 2.378 2.254 ( 0.000 1.320 0.000) 1.320 2.327 ( 0.000 9.386 0.000) 9.386 2.502 ( 0.000 4.713 0.000) 4.713 2.595 ( 0.000 -5.740 0.000) 5.740 2.645 ( 0.000 1.318 0.000) 1.318 2.712 ( 0.000 6.046 0.000) 6.046 2.785 ( 0.000 0.475 0.000) 0.475 2.886 ( 0.000 1.324 0.000) 1.324 2.989 ( 0.000 -7.703 0.000) 7.703 3.182 ( 0.000 -1.368 0.000) 1.368 3.186 ( 0.000 -10.360 0.000) 10.360 3.291 ( 0.000 -5.473 0.000) 5.473 3.361 ( 0.000 4.357 0.000) 4.357 3.479 ( 0.000 3.073 0.000) 3.073 3.600 ( 0.000 0.859 0.000) 0.859 3.614 ( 0.000 2.256 0.000) 2.256 3.685 ( 0.000 1.085 0.000) 1.085 3.779 ( 0.000 -8.712 0.000) 8.712 3.872 ( 0.000 -5.384 0.000) 5.384 3.895 ( 0.000 -0.584 0.000) 0.584 3.939 ( 0.000 -5.504 0.000) 5.504 4.115 ( 0.000 0.747 0.000) 0.747 4.147 ( 0.000 2.947 0.000) 2.947 4.231 ( 0.000 2.553 0.000) 2.553 4.475 ( 0.000 5.346 0.000) 5.346 4.616 ( 0.000 -2.341 0.000) 2.341 4.633 ( 0.000 2.406 0.000) 2.406 4.666 ( 0.000 1.936 0.000) 1.936 4.712 ( 0.000 1.073 0.000) 1.073 4.851 ( 0.000 3.045 0.000) 3.045 4.904 ( 0.000 -0.356 0.000) 0.356 4.905 ( 0.000 -10.019 0.000) 10.019 5.041 ( 0.000 -4.824 0.000) 4.824 5.081 ( 0.000 -2.092 0.000) 2.092 5.084 ( 0.000 8.253 0.000) 8.253 5.097 ( 0.000 0.870 0.000) 0.870 5.151 ( 0.000 1.451 0.000) 1.451 5.248 ( 0.000 -5.234 0.000) 5.234 5.324 ( 0.000 8.025 0.000) 8.025 5.428 ( 0.000 -1.766 0.000) 1.766 5.431 ( 0.000 1.640 0.000) 1.640 5.560 ( 0.000 -10.199 0.000) 10.199 5.648 ( 0.000 -1.880 0.000) 1.880 5.777 ( 0.000 0.867 0.000) 0.867 5.886 ( 0.000 -2.267 0.000) 2.267 5.925 ( 0.000 3.004 0.000) 3.004 6.076 ( 0.000 -3.052 0.000) 3.052 6.230 ( 0.000 6.895 0.000) 6.895 6.305 ( 0.000 -1.636 0.000) 1.636 6.366 ( 0.000 4.555 0.000) 4.555 6.440 ( 0.000 -6.003 0.000) 6.003 6.473 ( 0.000 4.452 0.000) 4.452 6.498 ( 0.000 0.633 0.000) 0.633 6.734 ( 0.000 -1.585 0.000) 1.585 6.865 ( 0.000 -4.075 0.000) 4.075 7.040 ( 0.000 -1.217 0.000) 1.217 7.098 ( 0.000 -6.761 0.000) 6.761 7.278 ( 0.000 -4.144 0.000) 4.144 7.315 ( 0.000 0.385 0.000) 0.385 7.482 ( 0.000 -2.083 0.000) 2.083 7.613 ( 0.000 3.814 0.000) 3.814 7.647 ( 0.000 2.961 0.000) 2.961 7.871 ( 0.000 0.133 0.000) 0.133 8.070 ( 0.000 -2.172 0.000) 2.172 8.117 ( 0.000 0.102 0.000) 0.102 8.205 ( 0.000 2.794 0.000) 2.794 8.488 ( 0.000 1.257 0.000) 1.257 8.489 ( 0.000 0.832 0.000) 0.832 8.532 ( 0.000 2.167 0.000) 2.167 8.566 ( 0.000 -0.161 0.000) 0.161 8.623 ( 0.000 0.887 0.000) 0.887 8.660 ( 0.000 0.142 0.000) 0.142 8.785 ( 0.000 -0.217 0.000) 0.217 8.829 ( 0.000 -0.834 0.000) 0.834 9.137 ( 0.000 3.851 0.000) 3.851 9.194 ( 0.000 3.056 0.000) 3.056 9.252 ( 0.000 -1.701 0.000) 1.701 9.324 ( 0.000 1.194 0.000) 1.194 9.535 ( 0.000 -0.339 0.000) 0.339 9.763 ( 0.000 -6.102 0.000) 6.102 9.803 ( 0.000 2.817 0.000) 2.817 9.987 ( 0.000 2.625 0.000) 2.625 10.256 ( 0.000 0.298 0.000) 0.298 10.461 ( 0.000 -1.325 0.000) 1.325 10.488 ( 0.000 5.002 0.000) 5.002 10.873 ( 0.000 -1.767 0.000) 1.767 11.149 ( 0.000 0.626 0.000) 0.626 11.282 ( 0.000 -1.220 0.000) 1.220 11.324 ( 0.000 -2.698 0.000) 2.698 11.368 ( 0.000 -3.065 0.000) 3.065 11.412 ( 0.000 -1.324 0.000) 1.324 11.491 ( 0.000 -2.172 0.000) 2.172 11.492 ( 0.000 1.397 0.000) 1.397 11.599 ( 0.000 -1.603 0.000) 1.603 11.841 ( 0.000 0.883 0.000) 0.883 11.841 ( 0.000 1.517 0.000) 1.517 12.047 ( 0.000 -0.185 0.000) 0.185 12.110 ( 0.000 0.412 0.000) 0.412 12.230 ( 0.000 2.024 0.000) 2.024 12.471 ( 0.000 0.339 0.000) 0.339 12.504 ( 0.000 -2.710 0.000) 2.710 12.570 ( 0.000 -2.049 0.000) 2.049 12.961 ( 0.000 1.389 0.000) 1.389 13.036 ( 0.000 -0.374 0.000) 0.374 13.137 ( 0.000 0.244 0.000) 0.244 13.245 ( 0.000 -2.147 0.000) 2.147 13.457 ( 0.000 0.578 0.000) 0.578 13.518 ( 0.000 -0.345 0.000) 0.345 13.912 ( 0.000 2.653 0.000) 2.653 14.037 ( 0.000 1.314 0.000) 1.314 14.107 ( 0.000 0.917 0.000) 0.917 14.228 ( 0.000 -2.520 0.000) 2.520 14.296 ( 0.000 -3.253 0.000) 3.253 14.349 ( 0.000 -1.616 0.000) 1.616 14.423 ( 0.000 -0.467 0.000) 0.467 14.543 ( 0.000 -3.727 0.000) 3.727 14.718 ( 0.000 1.506 0.000) 1.506 14.776 ( 0.000 7.047 0.000) 7.047 14.957 ( 0.000 -2.741 0.000) 2.741 15.308 ( 0.000 -0.689 0.000) 0.689 15.382 ( 0.000 4.416 0.000) 4.416 15.413 ( 0.000 -0.924 0.000) 0.924 15.505 ( 0.000 -1.289 0.000) 1.289 15.624 ( 0.000 -0.236 0.000) 0.236 15.630 ( 0.000 -5.994 0.000) 5.994 15.842 ( 0.000 1.691 0.000) 1.691 15.852 ( 0.000 2.719 0.000) 2.719 15.921 ( 0.000 -1.391 0.000) 1.391 16.268 ( 0.000 1.418 0.000) 1.418 16.312 ( 0.000 0.623 0.000) 0.623 16.498 ( 0.000 -2.367 0.000) 2.367 16.640 ( 0.000 -3.873 0.000) 3.873 16.859 ( 0.000 1.803 0.000) 1.803 16.958 ( 0.000 0.124 0.000) 0.124 17.419 ( 0.000 1.312 0.000) 1.312 17.445 ( 0.000 0.193 0.000) 0.193 17.483 ( 0.000 -0.439 0.000) 0.439 17.565 ( 0.000 -1.258 0.000) 1.258 20.470 ( 0.000 0.697 0.000) 0.697 20.564 ( 0.000 -1.371 0.000) 1.371 20.648 ( 0.000 2.230 0.000) 2.230 20.666 ( 0.000 1.383 0.000) 1.383 20.802 ( 0.000 0.270 0.000) 0.270 20.824 ( 0.000 0.028 0.000) 0.028 20.846 ( 0.000 1.699 0.000) 1.699 21.106 ( 0.000 -2.714 0.000) 2.714 21.208 ( 0.000 1.780 0.000) 1.780 21.317 ( 0.000 -0.392 0.000) 0.392 21.500 ( 0.000 0.608 0.000) 0.608 21.656 ( 0.000 -2.176 0.000) 2.176 22.931 ( 0.000 0.666 0.000) 0.666 23.051 ( 0.000 -1.470 0.000) 1.470 23.208 ( 0.000 1.337 0.000) 1.337 23.312 ( 0.000 0.019 0.000) 0.019 24.741 ( 0.000 0.019 0.000) 0.019 24.750 ( 0.000 0.007 0.000) 0.007 25.977 ( 0.000 1.490 0.000) 1.490 26.371 ( 0.000 -6.230 0.000) 6.230 26.478 ( 0.000 5.135 0.000) 5.135 27.578 ( 0.000 -16.433 0.000) 16.433 27.900 ( 0.000 3.623 0.000) 3.623 27.954 ( 0.000 6.972 0.000) 6.972 28.967 ( 0.000 1.953 0.000) 1.953 29.011 ( 0.000 1.517 0.000) 1.517 29.499 ( 0.000 -1.308 0.000) 1.308 29.718 ( 0.000 -5.754 0.000) 5.754 30.099 ( 0.000 1.649 0.000) 1.649 30.191 ( 0.000 0.479 0.000) 0.479 30.296 ( 0.000 0.406 0.000) 0.406 30.316 ( 0.000 -0.121 0.000) 0.121 31.082 ( 0.000 4.435 0.000) 4.435 31.258 ( 0.000 -1.112 0.000) 1.112 31.424 ( 0.000 -3.935 0.000) 3.935 31.478 ( 0.000 3.852 0.000) 3.852 31.618 ( 0.000 -5.266 0.000) 5.266 31.661 ( 0.000 -1.987 0.000) 1.987 32.158 ( 0.000 7.572 0.000) 7.572 32.240 ( 0.000 3.808 0.000) 3.808 32.455 ( 0.000 -2.166 0.000) 2.166 32.476 ( 0.000 -1.279 0.000) 1.279 33.283 ( 0.000 0.746 0.000) 0.746 33.338 ( 0.000 -1.379 0.000) 1.379 33.439 ( 0.000 -0.138 0.000) 0.138 33.589 ( 0.000 -4.074 0.000) 4.074 33.776 ( 0.000 6.190 0.000) 6.190 34.347 ( 0.000 -4.391 0.000) 4.391 35.587 ( 0.000 -0.014 0.000) 0.014 35.648 ( 0.000 -1.845 0.000) 1.845 35.731 ( 0.000 2.995 0.000) 2.995 35.867 ( 0.000 0.573 0.000) 0.573 35.933 ( 0.000 0.934 0.000) 0.934 36.024 ( 0.000 3.666 0.000) 3.666 36.121 ( 0.000 2.037 0.000) 2.037 36.144 ( 0.000 -3.739 0.000) 3.739 36.218 ( 0.000 0.447 0.000) 0.447 36.350 ( 0.000 -1.936 0.000) 1.936 36.531 ( 0.000 -4.356 0.000) 4.356 36.721 ( 0.000 -4.684 0.000) 4.684 37.223 ( 0.000 10.255 0.000) 10.255 38.171 ( 0.000 -9.614 0.000) 9.614 38.414 ( 0.000 2.562 0.000) 2.562 38.467 ( 0.000 4.559 0.000) 4.559 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 10.443 18.674 11.085) 24.096 0.891 ( 17.831 26.243 -2.910) 31.860 1.080 ( 5.353 24.939 11.787) 28.099 1.362 ( -1.008 2.905 -5.113) 5.967 1.368 ( 0.428 1.462 0.137) 1.529 1.428 ( 1.520 7.705 1.038) 7.922 1.566 ( -2.796 -0.042 0.682) 2.878 1.622 ( -5.676 1.517 -7.834) 9.792 1.696 ( -8.450 7.113 -3.891) 11.711 1.866 ( 1.120 -2.004 -0.332) 2.320 1.918 ( 2.301 -2.970 -1.458) 4.030 2.033 ( -2.717 -2.114 8.528) 9.196 2.080 ( 0.770 1.369 4.928) 5.173 2.132 ( -3.389 -2.037 -1.946) 4.407 2.223 ( -0.477 -0.625 -3.094) 3.192 2.309 ( 0.198 5.246 -9.799) 11.116 2.404 ( 0.324 6.864 -0.133) 6.873 2.484 ( -5.778 1.086 -4.969) 7.698 2.579 ( -4.101 5.089 -9.632) 11.640 2.616 ( -4.636 3.668 0.723) 5.955 2.837 ( -3.942 -1.533 -3.025) 5.199 2.921 ( 1.838 -0.909 0.517) 2.115 3.037 ( 1.041 -0.525 4.432) 4.583 3.101 ( -3.565 -3.304 -1.793) 5.181 3.241 ( 1.577 -0.715 -1.518) 2.303 3.313 ( 5.062 -5.031 -3.347) 7.882 3.361 ( -1.692 -2.227 2.016) 3.448 3.418 ( -3.225 -1.876 -1.839) 4.159 3.533 ( -4.189 0.192 -4.072) 5.845 3.630 ( -1.419 0.264 -3.186) 3.497 3.681 ( -3.546 -0.432 9.697) 10.334 3.777 ( -1.039 -3.495 1.576) 3.973 3.802 ( 0.420 -4.037 -6.307) 7.500 3.851 ( -1.647 -0.548 -1.594) 2.357 3.957 ( -6.460 0.354 8.780) 10.906 4.077 ( -3.093 -1.205 3.627) 4.917 4.156 ( -3.265 4.146 -0.467) 5.298 4.293 ( 2.357 -4.811 2.700) 5.999 4.442 ( -2.667 4.508 -0.503) 5.262 4.572 ( -0.279 -0.672 -4.541) 4.598 4.605 ( 0.124 3.478 -3.323) 4.812 4.717 ( -0.092 -0.937 1.484) 1.757 4.745 ( 2.990 1.816 0.008) 3.498 4.782 ( -6.846 -2.759 2.352) 7.747 4.851 ( 0.938 -0.605 -1.814) 2.129 4.962 ( 1.140 -7.443 -1.189) 7.623 4.988 ( -0.285 -1.848 -2.419) 3.057 5.024 ( -7.153 0.902 0.229) 7.213 5.112 ( 0.475 -1.850 -1.297) 2.309 5.184 ( 3.082 -2.351 1.605) 4.196 5.203 ( 9.136 1.496 -1.263) 9.344 5.249 ( -2.748 1.556 -1.052) 3.328 5.341 ( 5.323 -2.597 2.656) 6.491 5.404 ( 1.083 1.669 -0.109) 1.993 5.494 ( 4.250 -1.165 1.879) 4.791 5.617 ( 3.578 -2.852 2.003) 4.995 5.692 ( -1.020 -4.404 3.538) 5.741 5.772 ( 3.211 -0.693 -5.940) 6.788 5.846 ( -0.255 3.164 -2.040) 3.773 5.917 ( 1.325 -0.394 1.502) 2.042 6.100 ( -3.032 -0.469 4.487) 5.436 6.239 ( 0.776 6.804 -0.309) 6.855 6.268 ( -2.816 -0.702 -1.764) 3.396 6.342 ( -3.576 3.156 1.202) 4.919 6.392 ( -1.724 -1.718 -4.591) 5.196 6.495 ( 1.386 1.911 -0.205) 2.370 6.542 ( 3.696 4.429 -1.995) 6.104 6.712 ( -0.948 -0.540 -0.761) 1.330 6.836 ( 2.727 -3.103 -1.116) 4.279 6.940 ( -6.856 2.544 1.742) 7.517 7.217 ( 4.994 -7.558 2.746) 9.466 7.267 ( 0.071 -3.532 -0.598) 3.583 7.347 ( 3.649 -0.172 -1.240) 3.858 7.490 ( -0.293 -1.669 2.002) 2.623 7.537 ( -0.401 4.742 -6.278) 7.878 7.652 ( -2.105 2.416 0.860) 3.318 7.811 ( -2.946 4.923 0.893) 5.806 8.066 ( -0.573 -2.714 -0.251) 2.786 8.090 ( 0.407 -0.518 -3.396) 3.459 8.223 ( 0.829 2.170 0.320) 2.345 8.463 ( -0.687 1.962 1.087) 2.346 8.482 ( -2.806 2.589 0.870) 3.915 8.577 ( 3.456 0.303 0.122) 3.472 8.604 ( 4.088 0.850 -1.474) 4.428 8.642 ( 2.491 -1.012 0.429) 2.723 8.712 ( 0.727 -2.131 0.143) 2.256 8.758 ( 0.994 1.320 -0.733) 1.808 8.851 ( 1.475 -0.496 0.451) 1.620 9.147 ( 1.636 3.539 -1.048) 4.037 9.166 ( -1.674 3.525 -1.337) 4.125 9.275 ( 0.347 -1.202 2.856) 3.118 9.315 ( -1.289 0.707 0.260) 1.493 9.531 ( 1.665 -0.606 -2.833) 3.342 9.777 ( 1.934 -3.033 -0.829) 3.691 9.814 ( -0.888 -0.204 3.739) 3.849 9.977 ( -1.862 1.953 0.745) 2.799 10.250 ( -1.772 0.409 1.883) 2.618 10.429 ( -2.020 -1.401 -1.135) 2.708 10.493 ( 1.541 3.942 -1.822) 4.608 10.791 ( -5.039 1.184 -1.991) 5.546 11.161 ( 2.102 -0.070 -1.533) 2.603 11.284 ( -1.743 -1.156 1.641) 2.658 11.311 ( -0.594 -1.802 -0.363) 1.932 11.350 ( 0.157 -2.771 -1.210) 3.028 11.450 ( 0.948 -2.271 -0.322) 2.482 11.496 ( -0.988 -2.955 4.233) 5.256 11.522 ( 2.129 0.331 -0.376) 2.187 11.622 ( 2.803 -1.727 -0.216) 3.300 11.807 ( -1.973 1.877 0.447) 2.760 11.883 ( 1.901 0.829 0.801) 2.223 12.041 ( -2.259 0.715 2.816) 3.680 12.095 ( 0.024 0.499 -1.934) 1.997 12.259 ( 4.152 1.051 -1.333) 4.485 12.478 ( 0.090 -0.414 0.680) 0.801 12.516 ( -0.803 -0.847 3.126) 3.337 12.582 ( 0.122 -1.969 3.545) 4.057 12.975 ( 1.027 1.084 0.444) 1.558 13.057 ( 1.865 -0.382 0.769) 2.053 13.137 ( -0.081 1.724 1.028) 2.009 13.264 ( 1.257 -1.911 1.049) 2.516 13.454 ( 1.606 0.047 -2.291) 2.798 13.527 ( -0.291 -1.646 0.501) 1.745 13.884 ( -5.388 2.083 4.260) 7.178 14.052 ( -4.685 7.087 -4.547) 9.636 14.057 ( -0.389 1.227 1.831) 2.238 14.179 ( 7.267 0.853 -6.265) 9.633 14.225 ( 0.930 -2.129 -2.345) 3.301 14.355 ( -0.900 -2.479 2.609) 3.710 14.428 ( 1.401 -0.896 -0.386) 1.707 14.592 ( 2.871 -7.419 -2.200) 8.254 14.725 ( 0.027 2.001 2.251) 3.012 14.813 ( 0.400 5.368 1.014) 5.477 14.967 ( 0.868 -1.974 -1.553) 2.657 15.310 ( -0.247 1.075 0.596) 1.253 15.331 ( -3.785 0.568 -2.338) 4.485 15.374 ( 0.447 2.034 1.454) 2.540 15.475 ( -0.811 -1.224 -6.467) 6.632 15.581 ( 4.411 -0.989 -2.355) 5.097 15.671 ( -7.785 -3.587 11.615) 14.436 15.756 ( -2.439 3.888 -0.398) 4.607 15.887 ( -2.416 -2.600 -0.700) 3.617 15.961 ( -0.445 -3.579 2.167) 4.207 16.269 ( 3.142 1.230 -2.796) 4.382 16.308 ( -6.141 3.635 4.799) 8.600 16.493 ( 0.487 -2.521 -1.071) 2.782 16.617 ( -1.889 -3.602 -1.636) 4.384 16.873 ( 1.986 1.787 -0.151) 2.676 16.999 ( -0.008 -1.610 1.502) 2.202 17.426 ( 0.121 0.789 1.011) 1.289 17.467 ( 1.179 -0.419 0.466) 1.335 17.493 ( 0.449 -1.162 -0.015) 1.246 17.562 ( -0.429 -1.104 -0.002) 1.185 20.441 ( -0.105 1.780 0.067) 1.784 20.569 ( -0.495 -2.264 -0.974) 2.513 20.652 ( 0.688 1.116 -1.149) 1.743 20.762 ( 2.157 -0.926 3.461) 4.182 20.807 ( 1.428 0.286 -0.757) 1.642 20.819 ( -0.507 0.349 -0.341) 0.703 20.851 ( 1.472 -0.020 0.027) 1.472 21.100 ( 0.133 -3.113 -1.433) 3.430 21.220 ( 1.380 1.781 -0.319) 2.275 21.313 ( 0.001 -0.304 -0.688) 0.753 21.504 ( 0.663 0.640 -0.188) 0.941 21.650 ( -0.388 -2.024 -0.672) 2.168 22.850 ( -4.773 5.664 -2.170) 7.718 23.071 ( 1.245 -1.072 0.628) 1.759 23.218 ( 0.787 0.869 0.600) 1.317 23.340 ( 1.578 -2.764 0.002) 3.183 24.718 ( -0.723 0.385 -1.213) 1.464 24.773 ( 0.691 -0.400 1.138) 1.390 26.002 ( 5.587 1.300 -4.153) 7.081 26.318 ( -15.918 -1.870 16.864) 23.265 26.509 ( 12.064 2.530 -17.068) 21.053 26.928 ( -16.699 16.089 -7.676) 24.426 27.891 ( -0.136 7.461 0.878) 7.513 28.181 ( -1.678 -6.964 6.992) 10.010 29.020 ( 7.978 -1.985 -4.013) 9.148 29.159 ( 0.867 -8.141 5.991) 10.145 29.642 ( -1.841 -7.018 9.139) 11.669 29.717 ( -1.468 -4.811 2.769) 5.742 30.100 ( -0.092 1.186 0.978) 1.540 30.223 ( -0.808 -3.303 0.100) 3.402 30.291 ( 0.687 1.021 1.592) 2.012 30.361 ( 0.048 -0.160 3.073) 3.077 31.070 ( -0.424 2.670 1.087) 2.914 31.258 ( -1.753 -1.494 1.353) 2.671 31.406 ( -2.369 -3.116 1.112) 4.069 31.480 ( 1.193 3.443 -1.421) 3.911 31.593 ( -5.348 -4.392 3.780) 7.885 31.666 ( 2.400 -0.717 -2.721) 3.698 32.181 ( 1.850 7.303 1.377) 7.659 32.272 ( 1.586 2.758 1.211) 3.405 32.462 ( -1.758 -1.803 2.984) 3.905 32.491 ( 1.720 -3.499 1.071) 4.043 33.238 ( -5.681 3.742 2.855) 7.377 33.313 ( 2.840 6.007 -7.997) 10.397 33.371 ( -2.550 -2.232 5.856) 6.766 33.657 ( 0.989 -1.774 -0.977) 2.254 33.857 ( 4.231 -2.493 2.793) 5.650 34.304 ( -3.499 -4.285 -2.313) 5.996 35.573 ( -1.232 0.057 -0.127) 1.240 35.651 ( 0.061 -1.991 0.146) 1.997 35.732 ( 0.050 3.767 -0.177) 3.772 35.854 ( -0.518 0.409 -1.489) 1.629 35.900 ( -1.167 0.008 0.580) 1.303 36.035 ( 1.156 5.054 -0.063) 5.185 36.098 ( -1.899 1.874 0.948) 2.832 36.195 ( -1.038 0.912 1.074) 1.750 36.288 ( 5.900 -2.711 2.499) 6.957 36.395 ( 4.310 -2.075 0.307) 4.793 36.531 ( 1.683 -4.802 -2.751) 5.785 36.686 ( -1.053 -4.303 -1.378) 4.639 37.312 ( 12.150 3.346 -7.436) 14.633 37.990 ( -7.658 -2.062 -13.524) 15.678 38.263 ( -2.346 8.042 -1.146) 8.455 38.485 ( -3.499 5.426 2.572) 6.950 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 2.259 19.200 -11.153) 22.319 1.092 ( 7.699 5.561 0.697) 9.524 1.245 ( 1.104 0.110 3.449) 3.623 1.284 ( 3.425 5.776 -3.878) 7.754 1.385 ( -0.347 1.078 -1.315) 1.736 1.433 ( 2.794 8.936 0.964) 9.412 1.520 ( 0.551 6.560 0.516) 6.604 1.575 ( -0.594 2.601 3.134) 4.116 1.695 ( 0.531 4.347 6.839) 8.121 1.762 ( -7.666 1.787 -1.685) 8.050 1.854 ( -7.792 -4.281 -0.445) 8.901 2.048 ( 3.560 -1.829 0.888) 4.099 2.083 ( -0.876 -2.270 4.817) 5.397 2.177 ( -0.351 -1.669 0.716) 1.850 2.202 ( 0.835 1.429 2.077) 2.656 2.304 ( 3.161 1.602 -4.528) 5.749 2.327 ( -3.647 -0.020 -4.253) 5.603 2.395 ( 0.281 11.252 -10.094) 15.118 2.476 ( 3.600 10.067 -1.399) 10.783 2.541 ( -4.290 4.816 -0.757) 6.494 2.700 ( -5.567 2.768 -2.727) 6.789 2.886 ( -6.456 -1.835 1.723) 6.929 2.975 ( -4.491 2.620 -2.394) 5.724 3.084 ( -4.488 -2.215 -3.153) 5.915 3.170 ( -0.171 -3.186 -3.499) 4.735 3.291 ( 3.934 -2.538 -11.555) 12.467 3.335 ( 3.982 2.563 -2.602) 5.403 3.452 ( -6.176 -1.404 12.144) 13.696 3.496 ( -2.175 -4.662 -1.981) 5.513 3.572 ( 0.247 -3.101 1.439) 3.428 3.678 ( -2.685 -0.610 -2.127) 3.479 3.726 ( -1.519 -1.706 1.123) 2.545 3.790 ( -2.673 3.707 3.579) 5.805 3.842 ( -0.048 -1.124 -0.190) 1.141 3.958 ( -5.597 1.367 7.761) 9.665 4.021 ( -3.571 -1.211 -1.940) 4.241 4.125 ( 4.806 0.227 -2.820) 5.577 4.339 ( 3.710 -6.272 -1.278) 7.398 4.394 ( -4.060 -0.049 -1.901) 4.483 4.467 ( -8.945 -0.885 1.102) 9.056 4.594 ( 1.235 3.326 -2.414) 4.291 4.653 ( -8.458 -2.592 3.061) 9.361 4.743 ( 0.767 -1.720 -0.258) 1.900 4.782 ( 1.490 1.438 0.531) 2.138 4.870 ( 0.542 3.091 -1.683) 3.561 4.934 ( -2.525 -3.690 0.839) 4.549 4.953 ( -1.473 0.076 0.475) 1.549 5.009 ( 5.517 -2.944 0.162) 6.255 5.083 ( -0.183 -5.021 -2.410) 5.572 5.218 ( -0.351 2.203 0.651) 2.324 5.256 ( 4.567 -7.134 -1.605) 8.622 5.283 ( 0.711 1.926 -2.769) 3.447 5.431 ( 6.213 -0.415 -1.577) 6.424 5.489 ( 3.187 -1.715 4.114) 5.479 5.546 ( 0.741 -3.069 1.005) 3.313 5.654 ( -4.799 -1.807 1.487) 5.339 5.714 ( 5.707 0.384 1.271) 5.860 5.768 ( 2.180 -1.468 -1.795) 3.183 5.905 ( 4.388 -2.798 -1.166) 5.333 5.968 ( 4.021 6.120 2.756) 7.824 6.090 ( -0.308 -4.177 0.029) 4.188 6.187 ( -3.926 3.244 -2.115) 5.515 6.224 ( -2.388 3.018 -2.476) 4.576 6.265 ( -5.626 2.715 3.490) 7.156 6.357 ( 1.108 0.471 -3.763) 3.951 6.440 ( -5.192 3.731 -1.118) 6.490 6.579 ( 4.709 6.755 -3.343) 8.887 6.685 ( -5.290 2.182 2.522) 6.254 6.884 ( 0.341 -5.332 3.262) 6.260 6.949 ( 3.973 3.147 4.213) 6.591 7.198 ( -1.476 0.006 -6.065) 6.243 7.339 ( 3.773 -5.875 1.537) 7.149 7.390 ( 3.491 -1.424 -1.371) 4.012 7.492 ( -1.865 0.347 0.077) 1.898 7.523 ( 2.884 0.723 -0.055) 2.974 7.613 ( -2.204 1.406 -0.429) 2.649 7.817 ( 0.048 4.097 2.935) 5.040 8.045 ( -1.998 -5.799 0.127) 6.134 8.073 ( 2.013 -0.006 -3.329) 3.891 8.222 ( -0.858 0.557 0.157) 1.035 8.452 ( -1.368 5.572 0.232) 5.742 8.487 ( 1.652 1.653 1.264) 2.657 8.590 ( -0.085 1.356 -1.005) 1.691 8.605 ( -1.945 0.406 -2.074) 2.872 8.711 ( 3.751 -1.102 0.477) 3.939 8.736 ( 3.650 -0.904 1.047) 3.903 8.803 ( 2.396 1.028 0.519) 2.658 8.872 ( 0.182 0.345 0.638) 0.748 9.121 ( -1.880 3.437 -0.737) 3.987 9.164 ( 1.181 2.868 -0.763) 3.194 9.288 ( -1.533 -0.869 0.244) 1.779 9.315 ( 0.267 -1.274 2.149) 2.513 9.536 ( 2.251 -0.314 -2.066) 3.071 9.805 ( 3.914 -0.982 -2.765) 4.892 9.844 ( -1.370 -2.654 4.349) 5.275 9.939 ( -4.018 0.802 1.357) 4.316 10.251 ( -1.075 0.022 2.891) 3.085 10.383 ( -1.227 -2.089 -2.351) 3.376 10.505 ( 2.514 3.373 -1.665) 4.524 10.691 ( -5.249 0.309 -0.810) 5.320 11.181 ( 1.855 0.338 -0.954) 2.113 11.251 ( -2.403 0.666 0.001) 2.493 11.307 ( -0.399 -2.376 0.423) 2.446 11.357 ( 1.220 -2.420 -0.192) 2.717 11.454 ( 0.785 -1.355 -0.897) 1.804 11.518 ( -0.383 -2.698 1.843) 3.290 11.542 ( 0.844 0.117 -0.423) 0.951 11.667 ( 2.211 -2.103 0.129) 3.054 11.786 ( -0.857 2.518 -0.086) 2.661 11.914 ( 0.750 0.689 0.902) 1.361 12.042 ( -1.815 1.796 3.539) 4.364 12.075 ( 0.093 0.864 -1.947) 2.133 12.314 ( 3.444 -0.836 -0.913) 3.660 12.497 ( 1.579 0.689 0.275) 1.745 12.537 ( -1.301 -0.141 3.448) 3.688 12.631 ( 0.626 -3.268 3.216) 4.627 12.993 ( 0.340 1.186 0.599) 1.371 13.093 ( 1.556 -0.961 -0.133) 1.834 13.168 ( 0.942 2.906 3.137) 4.378 13.299 ( 1.328 -1.470 0.943) 2.194 13.461 ( 3.156 -0.934 -3.729) 4.974 13.511 ( -2.476 -1.188 1.165) 2.983 13.849 ( -3.244 1.669 2.700) 4.538 13.970 ( -0.313 4.310 -2.974) 5.245 14.100 ( 0.144 -0.572 4.406) 4.445 14.193 ( 0.314 -2.160 -3.552) 4.170 14.258 ( 6.514 -1.981 -4.556) 8.192 14.376 ( -0.828 -3.136 3.541) 4.802 14.453 ( 2.141 -1.624 -0.773) 2.796 14.600 ( 0.392 -6.775 -0.610) 6.813 14.770 ( 1.723 2.099 3.298) 4.273 14.811 ( -0.394 5.941 -0.452) 5.971 14.939 ( -2.027 0.316 -1.387) 2.476 15.242 ( -2.919 0.333 -2.153) 3.642 15.328 ( 0.269 -0.143 1.399) 1.432 15.407 ( -0.745 -2.320 -3.552) 4.307 15.449 ( 3.812 -1.231 2.994) 5.001 15.602 ( 3.347 -2.388 -5.117) 6.564 15.650 ( -8.134 -2.396 8.852) 12.258 15.732 ( 0.800 4.464 -1.950) 4.937 15.854 ( -1.969 -3.235 2.619) 4.605 15.935 ( -1.550 -3.604 -2.365) 4.581 16.224 ( -4.210 5.784 -0.853) 7.204 16.322 ( 1.900 1.219 2.376) 3.277 16.488 ( -0.367 -1.845 -0.206) 1.892 16.547 ( -2.864 -2.820 -3.318) 5.212 16.911 ( 2.815 1.680 -0.507) 3.317 16.985 ( -2.363 0.296 0.678) 2.476 17.436 ( -0.019 0.339 0.452) 0.566 17.489 ( 0.475 -0.357 0.331) 0.680 17.495 ( 0.373 -0.418 0.428) 0.705 17.550 ( -0.737 -0.592 -0.332) 1.002 20.455 ( 0.507 1.080 0.764) 1.417 20.550 ( -0.245 -0.639 -0.813) 1.063 20.643 ( 0.317 1.778 -1.759) 2.521 20.780 ( -0.798 1.075 0.802) 1.560 20.806 ( -0.764 1.074 0.354) 1.365 20.821 ( 0.405 0.968 0.076) 1.052 20.890 ( 1.882 -2.327 0.369) 3.015 21.082 ( -0.126 -3.708 -1.453) 3.984 21.237 ( 0.959 2.023 -0.249) 2.252 21.304 ( -0.251 -0.089 -0.472) 0.542 21.520 ( 1.352 0.561 0.049) 1.464 21.629 ( -0.988 -1.487 -0.964) 2.029 22.767 ( -2.889 6.503 -1.364) 7.246 23.096 ( 0.956 -0.560 0.352) 1.162 23.242 ( 0.973 0.046 0.872) 1.308 23.351 ( 0.334 -2.860 -0.469) 2.917 24.697 ( -0.448 0.637 -0.683) 1.036 24.792 ( 0.424 -0.731 0.576) 1.023 26.059 ( 9.903 1.247 -9.190) 13.568 26.241 ( -15.481 -0.429 16.761) 22.820 26.487 ( 4.927 2.824 -9.881) 11.397 26.848 ( 0.820 0.469 3.708) 3.827 27.898 ( 0.191 5.866 0.213) 5.873 28.186 ( -2.950 -2.367 3.478) 5.138 29.128 ( 9.541 -4.305 -4.073) 11.232 29.193 ( -1.973 -8.813 3.947) 9.856 29.630 ( -2.619 -2.186 0.455) 3.442 29.688 ( -5.771 -0.585 2.823) 6.451 30.119 ( 0.655 0.523 1.565) 1.775 30.193 ( -1.718 -2.504 -0.555) 3.087 30.299 ( -0.523 3.155 -0.537) 3.243 30.354 ( -1.747 2.483 0.209) 3.043 31.094 ( -0.320 0.172 3.215) 3.235 31.231 ( -1.029 -0.168 -1.354) 1.709 31.384 ( -1.817 -3.226 1.347) 3.940 31.487 ( 2.747 1.227 -3.431) 4.563 31.542 ( -5.455 -1.455 4.032) 6.938 31.677 ( 1.811 0.050 -1.763) 2.528 32.226 ( 0.747 6.073 2.197) 6.501 32.300 ( 1.429 2.934 -0.532) 3.306 32.473 ( -0.501 -1.251 2.326) 2.689 32.536 ( 1.770 -5.459 1.090) 5.842 33.216 ( -3.326 3.750 5.889) 7.733 33.286 ( 4.830 6.193 -9.325) 12.191 33.399 ( -1.881 -2.036 5.067) 5.776 33.639 ( -0.724 0.824 -1.411) 1.787 33.943 ( 3.540 -3.723 2.682) 5.795 34.194 ( -5.464 -3.956 -3.690) 7.689 35.555 ( -0.752 -0.136 -0.030) 0.765 35.649 ( -0.326 -1.956 -0.050) 1.983 35.728 ( -0.210 4.792 0.034) 4.797 35.836 ( -0.424 0.140 -0.504) 0.673 35.893 ( -0.636 -0.870 0.509) 1.192 36.046 ( -0.409 6.743 0.800) 6.803 36.099 ( 1.406 1.953 -0.299) 2.425 36.175 ( -1.330 4.025 -0.402) 4.258 36.393 ( 3.422 -4.070 3.371) 6.296 36.475 ( 5.060 -1.574 0.002) 5.299 36.519 ( 0.564 -4.285 -2.824) 5.163 36.661 ( -2.375 -3.558 0.158) 4.280 37.403 ( 8.691 -0.598 -7.035) 11.197 37.807 ( -2.806 -8.849 -6.011) 11.059 38.247 ( -2.474 9.440 3.852) 10.491 38.449 ( -1.467 5.316 -0.688) 5.558 ======================= Grid point 10 (8/64) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 0.000 19.097 0.000) 19.097 1.156 ( 0.000 6.933 0.000) 6.933 1.262 ( 0.000 -1.612 0.000) 1.612 1.286 ( 0.000 -1.272 -0.000) 1.272 1.391 ( 0.000 -0.156 0.000) 0.156 1.504 ( 0.000 1.903 0.000) 1.903 1.557 ( 0.000 7.988 0.000) 7.988 1.591 ( -0.000 4.973 0.000) 4.973 1.598 ( 0.000 3.564 0.000) 3.564 1.711 ( 0.000 -2.475 0.000) 2.475 1.915 ( 0.000 3.271 0.000) 3.271 2.038 ( 0.000 2.390 0.000) 2.390 2.104 ( 0.000 -2.702 0.000) 2.702 2.116 ( 0.000 5.213 -0.000) 5.213 2.279 ( 0.000 -0.230 0.000) 0.230 2.312 ( -0.000 -2.794 0.000) 2.794 2.313 ( 0.000 -1.097 -0.000) 1.097 2.341 ( -0.000 7.662 0.000) 7.662 2.435 ( 0.000 2.856 0.000) 2.856 2.535 ( 0.000 7.429 0.000) 7.429 2.651 ( 0.000 3.843 0.000) 3.843 2.800 ( 0.000 2.651 0.000) 2.651 2.935 ( 0.000 -1.719 0.000) 1.719 2.981 ( -0.000 2.395 -0.000) 2.395 3.185 ( 0.000 -0.812 0.000) 0.812 3.265 ( 0.000 0.430 0.000) 0.430 3.369 ( -0.000 4.586 0.000) 4.586 3.408 ( 0.000 -5.146 0.000) 5.146 3.472 ( 0.000 4.281 0.000) 4.281 3.561 ( 0.000 -5.684 0.000) 5.684 3.675 ( 0.000 -0.459 0.000) 0.459 3.752 ( 0.000 -7.599 0.000) 7.599 3.788 ( 0.000 3.116 -0.000) 3.116 3.809 ( 0.000 2.121 0.000) 2.121 3.955 ( 0.000 0.099 0.000) 0.099 3.973 ( 0.000 -1.823 0.000) 1.823 4.240 ( -0.000 0.017 -0.000) 0.017 4.252 ( 0.000 -1.609 0.000) 1.609 4.374 ( 0.000 -1.024 0.000) 1.024 4.388 ( 0.000 -6.612 0.000) 6.612 4.567 ( 0.000 -0.271 0.000) 0.271 4.619 ( 0.000 5.329 0.000) 5.329 4.751 ( 0.000 -1.308 0.000) 1.308 4.795 ( 0.000 -2.187 0.000) 2.187 4.859 ( 0.000 2.981 -0.000) 2.981 4.926 ( 0.000 -1.613 -0.000) 1.613 4.946 ( 0.000 1.404 0.000) 1.404 5.071 ( 0.000 -7.612 -0.000) 7.612 5.079 ( 0.000 -3.916 0.000) 3.916 5.220 ( 0.000 1.513 0.000) 1.513 5.242 ( 0.000 0.522 0.000) 0.522 5.297 ( 0.000 -6.396 0.000) 6.396 5.473 ( 0.000 -1.557 0.000) 1.557 5.546 ( -0.000 -5.737 0.000) 5.737 5.550 ( 0.000 2.901 0.000) 2.901 5.620 ( 0.000 -1.013 0.000) 1.013 5.768 ( 0.000 -3.804 0.000) 3.804 5.801 ( 0.000 1.615 0.000) 1.615 5.934 ( 0.000 -3.805 0.000) 3.805 6.044 ( -0.000 7.214 0.000) 7.214 6.091 ( 0.000 -3.369 0.000) 3.369 6.120 ( 0.000 2.064 0.000) 2.064 6.177 ( 0.000 0.964 0.000) 0.964 6.241 ( 0.000 5.617 -0.000) 5.617 6.341 ( 0.000 -2.873 0.000) 2.873 6.376 ( 0.000 5.870 0.000) 5.870 6.621 ( -0.000 8.458 0.000) 8.458 6.623 ( 0.000 3.315 -0.000) 3.315 6.915 ( 0.000 -6.600 0.000) 6.600 7.059 ( 0.000 2.001 0.000) 2.001 7.098 ( 0.000 3.556 0.000) 3.556 7.376 ( 0.000 -4.718 0.000) 4.718 7.434 ( 0.000 -0.857 0.000) 0.857 7.457 ( 0.000 -1.775 0.000) 1.775 7.566 ( 0.000 1.064 0.000) 1.064 7.579 ( 0.000 1.054 0.000) 1.054 7.841 ( 0.000 4.092 0.000) 4.092 8.022 ( 0.000 -8.446 0.000) 8.446 8.073 ( 0.000 0.950 0.000) 0.950 8.215 ( 0.000 -0.537 0.000) 0.537 8.442 ( 0.000 6.622 0.000) 6.622 8.525 ( 0.000 0.690 0.000) 0.690 8.558 ( 0.000 1.205 0.000) 1.205 8.580 ( 0.000 2.337 0.000) 2.337 8.758 ( 0.000 -3.003 0.000) 3.003 8.767 ( -0.000 0.428 0.000) 0.428 8.837 ( 0.000 -0.369 0.000) 0.369 8.870 ( 0.000 2.555 0.000) 2.555 9.099 ( 0.000 3.448 0.000) 3.448 9.170 ( 0.000 2.673 0.000) 2.673 9.273 ( 0.000 -2.021 0.000) 2.021 9.330 ( 0.000 -1.865 0.000) 1.865 9.548 ( 0.000 0.461 0.000) 0.461 9.834 ( -0.000 -3.806 0.000) 3.806 9.853 ( 0.000 0.708 -0.000) 0.708 9.902 ( 0.000 -0.449 0.000) 0.449 10.265 ( 0.000 -1.281 0.000) 1.281 10.353 ( 0.000 -1.148 0.000) 1.148 10.528 ( 0.000 3.090 0.000) 3.090 10.630 ( 0.000 -0.102 0.000) 0.102 11.194 ( 0.000 0.704 0.000) 0.704 11.228 ( 0.000 0.965 0.000) 0.965 11.305 ( 0.000 -2.419 0.000) 2.419 11.369 ( 0.000 -2.215 0.000) 2.215 11.456 ( 0.000 -0.771 0.000) 0.771 11.524 ( 0.000 -2.589 0.000) 2.589 11.545 ( 0.000 -0.095 0.000) 0.095 11.687 ( 0.000 -2.227 0.000) 2.227 11.778 ( 0.000 2.830 0.000) 2.830 11.925 ( 0.000 0.658 0.000) 0.658 12.053 ( -0.000 2.077 0.000) 2.077 12.059 ( 0.000 1.156 -0.000) 1.156 12.339 ( 0.000 -1.631 0.000) 1.631 12.518 ( 0.000 2.239 0.000) 2.239 12.543 ( -0.000 -1.070 0.000) 1.070 12.656 ( 0.000 -3.522 0.000) 3.522 12.999 ( 0.000 1.414 0.000) 1.414 13.104 ( 0.000 -0.774 0.000) 0.774 13.201 ( 0.000 2.760 0.000) 2.760 13.316 ( 0.000 -1.336 0.000) 1.336 13.472 ( 0.000 -0.396 0.000) 0.396 13.489 ( 0.000 -1.654 0.000) 1.654 13.838 ( 0.000 1.526 0.000) 1.526 13.953 ( 0.000 3.259 0.000) 3.259 14.149 ( 0.000 -2.086 -0.000) 2.086 14.152 ( 0.000 -1.222 0.000) 1.222 14.288 ( 0.000 -4.812 -0.000) 4.812 14.391 ( 0.000 -2.439 0.000) 2.439 14.469 ( 0.000 -2.069 0.000) 2.069 14.599 ( 0.000 -6.538 0.000) 6.538 14.803 ( -0.000 6.235 0.000) 6.235 14.823 ( 0.000 1.908 -0.000) 1.908 14.897 ( 0.000 1.299 0.000) 1.299 15.205 ( 0.000 0.115 0.000) 0.115 15.338 ( 0.000 0.724 0.000) 0.724 15.382 ( 0.000 -3.692 0.000) 3.692 15.504 ( 0.000 -3.403 0.000) 3.403 15.596 ( 0.000 -2.848 -0.000) 2.848 15.632 ( -0.000 -0.630 0.000) 0.630 15.728 ( 0.000 3.268 0.000) 3.268 15.871 ( 0.000 -1.287 -0.000) 1.287 15.890 ( 0.000 -5.335 0.000) 5.335 16.178 ( 0.000 7.653 0.000) 7.653 16.364 ( -0.000 -0.153 0.000) 0.153 16.473 ( 0.000 -0.933 0.000) 0.933 16.498 ( 0.000 -2.311 0.000) 2.311 16.948 ( 0.000 0.064 -0.000) 0.064 16.951 ( -0.000 2.490 0.000) 2.490 17.437 ( 0.000 0.392 0.000) 0.392 17.492 ( 0.000 -0.866 0.000) 0.866 17.508 ( 0.000 0.020 -0.000) 0.020 17.539 ( 0.000 -0.164 0.000) 0.164 20.463 ( 0.000 0.776 0.000) 0.776 20.545 ( 0.000 0.541 0.000) 0.541 20.634 ( 0.000 1.903 0.000) 1.903 20.776 ( 0.000 1.237 0.000) 1.237 20.802 ( 0.000 1.378 -0.000) 1.378 20.825 ( 0.000 1.271 -0.000) 1.271 20.908 ( 0.000 -2.616 0.000) 2.616 21.072 ( 0.000 -3.921 0.000) 3.921 21.243 ( 0.000 2.111 0.000) 2.111 21.298 ( 0.000 0.060 0.000) 0.060 21.537 ( 0.000 0.363 0.000) 0.363 21.610 ( 0.000 -1.035 0.000) 1.035 22.734 ( 0.000 6.560 0.000) 6.560 23.106 ( 0.000 -0.419 0.000) 0.419 23.258 ( 0.000 -0.333 0.000) 0.333 23.350 ( 0.000 -2.744 0.000) 2.744 24.690 ( 0.000 0.724 0.000) 0.724 24.798 ( 0.000 -0.854 0.000) 0.854 26.103 ( -0.000 1.439 0.000) 1.439 26.193 ( 0.000 -0.495 -0.000) 0.495 26.475 ( 0.000 1.280 0.000) 1.280 26.888 ( 0.000 -3.586 0.000) 3.586 27.901 ( 0.000 4.790 0.000) 4.790 28.179 ( 0.000 -0.577 0.000) 0.577 29.188 ( 0.000 -9.497 -0.000) 9.497 29.205 ( -0.000 -6.485 0.000) 6.485 29.608 ( 0.000 -0.216 0.000) 0.216 29.642 ( 0.000 2.459 0.000) 2.459 30.145 ( 0.000 -0.192 -0.000) 0.192 30.164 ( 0.000 -1.636 0.000) 1.636 30.285 ( 0.000 4.932 0.000) 4.932 30.340 ( 0.000 2.684 0.000) 2.684 31.111 ( 0.000 -0.102 0.000) 0.102 31.213 ( 0.000 0.312 0.000) 0.312 31.376 ( 0.000 -3.388 0.000) 3.388 31.492 ( 0.000 -2.845 0.000) 2.845 31.517 ( 0.000 2.884 0.000) 2.884 31.683 ( 0.000 0.235 0.000) 0.235 32.245 ( 0.000 5.316 0.000) 5.316 32.308 ( 0.000 2.970 0.000) 2.970 32.484 ( 0.000 -0.880 0.000) 0.880 32.558 ( 0.000 -5.944 0.000) 5.944 33.229 ( 0.000 0.971 0.000) 0.971 33.270 ( 0.000 9.389 -0.000) 9.389 33.412 ( 0.000 -1.978 0.000) 1.978 33.622 ( 0.000 1.071 0.000) 1.071 34.026 ( 0.000 -4.555 0.000) 4.555 34.085 ( -0.000 -3.033 0.000) 3.033 35.549 ( 0.000 -0.360 0.000) 0.360 35.645 ( 0.000 -1.830 0.000) 1.830 35.727 ( 0.000 5.605 0.000) 5.605 35.829 ( 0.000 0.121 0.000) 0.121 35.891 ( 0.000 -1.216 0.000) 1.216 36.046 ( 0.000 6.725 0.000) 6.725 36.116 ( 0.000 3.023 0.000) 3.023 36.157 ( 0.000 3.865 0.000) 3.865 36.456 ( 0.000 -6.002 -0.000) 6.002 36.491 ( 0.000 -4.617 0.000) 4.617 36.546 ( 0.000 -1.343 0.000) 1.343 36.616 ( 0.000 -0.415 0.000) 0.415 37.441 ( 0.000 -2.549 0.000) 2.549 37.748 ( 0.000 -12.406 0.000) 12.406 38.250 ( 0.000 11.065 0.000) 11.065 38.433 ( 0.000 4.698 0.000) 4.698 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 0.000 20.728 0.000) 20.728 1.330 ( 0.000 25.001 0.000) 25.001 1.362 ( 0.000 0.474 0.000) 0.474 1.411 ( 0.000 1.664 0.000) 1.664 1.438 ( 0.000 2.627 0.000) 2.627 1.612 ( 0.000 2.055 0.000) 2.055 1.627 ( 0.000 12.196 0.000) 12.196 1.713 ( 0.000 -2.078 0.000) 2.078 1.717 ( 0.000 -1.378 0.000) 1.378 1.850 ( 0.000 -5.412 0.000) 5.412 1.942 ( 0.000 3.191 0.000) 3.191 2.016 ( 0.000 3.215 0.000) 3.215 2.104 ( 0.000 -4.153 0.000) 4.153 2.210 ( 0.000 12.714 0.000) 12.714 2.361 ( 0.000 0.453 0.000) 0.453 2.363 ( 0.000 9.945 0.000) 9.945 2.610 ( 0.000 5.259 0.000) 5.259 2.616 ( 0.000 7.444 0.000) 7.444 2.673 ( 0.000 1.630 0.000) 1.630 2.775 ( 0.000 -2.561 0.000) 2.561 2.857 ( 0.000 4.654 0.000) 4.654 2.922 ( 0.000 2.832 0.000) 2.832 2.955 ( 0.000 3.977 0.000) 3.977 3.038 ( 0.000 -0.533 0.000) 0.533 3.122 ( 0.000 -9.577 0.000) 9.577 3.175 ( 0.000 -1.748 0.000) 1.748 3.270 ( 0.000 -9.946 0.000) 9.946 3.462 ( 0.000 -8.788 0.000) 8.788 3.616 ( 0.000 -1.913 0.000) 1.913 3.629 ( 0.000 -4.049 0.000) 4.049 3.655 ( 0.000 -1.187 0.000) 1.187 3.708 ( 0.000 5.980 0.000) 5.980 3.755 ( 0.000 -10.323 0.000) 10.323 3.842 ( 0.000 0.082 0.000) 0.082 3.908 ( 0.000 0.755 0.000) 0.755 4.060 ( 0.000 -8.624 0.000) 8.624 4.165 ( 0.000 4.658 0.000) 4.658 4.298 ( 0.000 0.986 0.000) 0.986 4.568 ( 0.000 0.913 0.000) 0.913 4.568 ( 0.000 -1.945 0.000) 1.945 4.667 ( 0.000 1.478 0.000) 1.478 4.718 ( 0.000 3.314 0.000) 3.314 4.744 ( 0.000 1.674 0.000) 1.674 4.770 ( 0.000 -0.254 0.000) 0.254 4.830 ( 0.000 -6.604 0.000) 6.604 4.927 ( 0.000 3.329 0.000) 3.329 4.962 ( 0.000 -4.105 0.000) 4.105 5.043 ( 0.000 -2.665 0.000) 2.665 5.135 ( 0.000 2.836 0.000) 2.836 5.141 ( 0.000 0.158 0.000) 0.158 5.187 ( 0.000 0.503 0.000) 0.503 5.303 ( 0.000 -5.214 0.000) 5.214 5.335 ( 0.000 14.629 0.000) 14.629 5.402 ( 0.000 -3.825 0.000) 3.825 5.428 ( 0.000 -1.592 0.000) 1.592 5.556 ( 0.000 7.519 0.000) 7.519 5.636 ( 0.000 0.530 0.000) 0.530 5.769 ( 0.000 -2.313 0.000) 2.313 5.849 ( 0.000 -0.957 0.000) 0.957 5.945 ( 0.000 -1.128 0.000) 1.128 6.020 ( 0.000 -0.814 0.000) 0.814 6.229 ( 0.000 -7.448 0.000) 7.448 6.314 ( 0.000 1.074 0.000) 1.074 6.325 ( 0.000 -3.928 0.000) 3.928 6.471 ( 0.000 4.149 0.000) 4.149 6.509 ( 0.000 0.180 0.000) 0.180 6.562 ( 0.000 5.804 0.000) 5.804 6.711 ( 0.000 -0.819 0.000) 0.819 6.773 ( 0.000 -3.886 0.000) 3.886 6.936 ( 0.000 -9.642 0.000) 9.642 7.029 ( 0.000 0.873 0.000) 0.873 7.180 ( 0.000 -5.728 0.000) 5.728 7.360 ( 0.000 3.430 0.000) 3.430 7.445 ( 0.000 -1.703 0.000) 1.703 7.680 ( 0.000 3.010 0.000) 3.010 7.698 ( 0.000 2.075 0.000) 2.075 7.893 ( 0.000 2.314 0.000) 2.314 8.023 ( 0.000 -3.120 0.000) 3.120 8.121 ( 0.000 0.682 0.000) 0.682 8.212 ( 0.000 -2.034 0.000) 2.034 8.521 ( 0.000 2.000 0.000) 2.000 8.521 ( 0.000 1.970 0.000) 1.970 8.567 ( 0.000 0.492 0.000) 0.492 8.571 ( 0.000 1.646 0.000) 1.646 8.645 ( 0.000 1.285 0.000) 1.285 8.668 ( 0.000 0.328 0.000) 0.328 8.781 ( 0.000 -0.088 0.000) 0.088 8.810 ( 0.000 -1.253 0.000) 1.253 9.192 ( 0.000 1.735 0.000) 1.735 9.224 ( 0.000 -1.142 0.000) 1.142 9.267 ( 0.000 3.961 0.000) 3.961 9.342 ( 0.000 0.383 0.000) 0.383 9.546 ( 0.000 1.586 0.000) 1.586 9.658 ( 0.000 -4.686 0.000) 4.686 9.872 ( 0.000 4.152 0.000) 4.152 9.996 ( 0.000 -1.400 0.000) 1.400 10.295 ( 0.000 3.430 0.000) 3.430 10.423 ( 0.000 -2.665 0.000) 2.665 10.596 ( 0.000 6.198 0.000) 6.198 10.817 ( 0.000 -4.301 0.000) 4.301 11.164 ( 0.000 1.009 0.000) 1.009 11.253 ( 0.000 -3.980 0.000) 3.980 11.269 ( 0.000 0.111 0.000) 0.111 11.316 ( 0.000 -2.278 0.000) 2.278 11.382 ( 0.000 -1.303 0.000) 1.303 11.438 ( 0.000 -3.232 0.000) 3.232 11.520 ( 0.000 1.329 0.000) 1.329 11.564 ( 0.000 -1.714 0.000) 1.714 11.863 ( 0.000 1.323 0.000) 1.323 11.871 ( 0.000 1.348 0.000) 1.348 12.049 ( 0.000 0.641 0.000) 0.641 12.101 ( 0.000 -1.266 0.000) 1.266 12.287 ( 0.000 3.789 0.000) 3.789 12.439 ( 0.000 -3.914 0.000) 3.914 12.479 ( 0.000 0.522 0.000) 0.522 12.527 ( 0.000 -2.180 0.000) 2.180 12.991 ( 0.000 1.503 0.000) 1.503 13.026 ( 0.000 -0.614 0.000) 0.614 13.146 ( 0.000 0.780 0.000) 0.780 13.204 ( 0.000 -2.096 0.000) 2.096 13.473 ( 0.000 0.988 0.000) 0.988 13.508 ( 0.000 -0.735 0.000) 0.735 13.978 ( 0.000 4.075 0.000) 4.075 14.063 ( 0.000 1.033 0.000) 1.033 14.132 ( 0.000 1.664 0.000) 1.664 14.181 ( 0.000 -2.156 0.000) 2.156 14.231 ( 0.000 -2.962 0.000) 2.962 14.298 ( 0.000 -3.583 0.000) 3.583 14.410 ( 0.000 -0.469 0.000) 0.469 14.473 ( 0.000 -3.545 0.000) 3.545 14.753 ( 0.000 2.038 0.000) 2.038 14.833 ( 0.000 -1.758 0.000) 1.758 15.001 ( 0.000 7.978 0.000) 7.978 15.275 ( 0.000 -3.474 0.000) 3.474 15.400 ( 0.000 0.020 0.000) 0.020 15.458 ( 0.000 2.638 0.000) 2.638 15.471 ( 0.000 -2.241 0.000) 2.241 15.528 ( 0.000 -4.105 0.000) 4.105 15.642 ( 0.000 3.017 0.000) 3.017 15.839 ( 0.000 -4.020 0.000) 4.020 15.878 ( 0.000 1.879 0.000) 1.879 15.914 ( 0.000 0.348 0.000) 0.348 16.309 ( 0.000 2.703 0.000) 2.703 16.329 ( 0.000 1.039 0.000) 1.039 16.455 ( 0.000 -1.579 0.000) 1.579 16.552 ( 0.000 -5.042 0.000) 5.042 16.897 ( 0.000 1.984 0.000) 1.984 16.952 ( 0.000 -0.782 0.000) 0.782 17.451 ( 0.000 0.397 0.000) 0.397 17.451 ( 0.000 2.046 0.000) 2.046 17.472 ( 0.000 -0.645 0.000) 0.645 17.534 ( 0.000 -2.012 0.000) 2.012 20.487 ( 0.000 1.128 0.000) 1.128 20.537 ( 0.000 -1.425 0.000) 1.425 20.689 ( 0.000 1.860 0.000) 1.860 20.695 ( 0.000 1.461 0.000) 1.461 20.807 ( 0.000 0.269 0.000) 0.269 20.822 ( 0.000 -0.289 0.000) 0.289 20.895 ( 0.000 3.344 0.000) 3.344 21.043 ( 0.000 -3.821 0.000) 3.821 21.244 ( 0.000 2.012 0.000) 2.012 21.305 ( 0.000 -0.975 0.000) 0.975 21.518 ( 0.000 1.338 0.000) 1.338 21.605 ( 0.000 -2.987 0.000) 2.987 22.951 ( 0.000 1.408 0.000) 1.408 23.018 ( 0.000 -1.891 0.000) 1.891 23.241 ( 0.000 1.958 0.000) 1.958 23.304 ( 0.000 -0.917 0.000) 0.917 24.742 ( 0.000 0.125 0.000) 0.125 24.749 ( 0.000 -0.132 0.000) 0.132 26.022 ( 0.000 3.420 0.000) 3.420 26.235 ( 0.000 -7.445 0.000) 7.445 26.627 ( 0.000 10.719 0.000) 10.719 27.227 ( 0.000 -19.437 0.000) 19.437 27.988 ( 0.000 5.175 0.000) 5.175 28.062 ( 0.000 3.509 0.000) 3.509 29.011 ( 0.000 2.386 0.000) 2.386 29.034 ( 0.000 0.885 0.000) 0.885 29.473 ( 0.000 -1.012 0.000) 1.012 29.590 ( 0.000 -6.989 0.000) 6.989 30.138 ( 0.000 2.185 0.000) 2.185 30.192 ( 0.000 -0.463 0.000) 0.463 30.307 ( 0.000 0.589 0.000) 0.589 30.315 ( 0.000 0.035 0.000) 0.035 31.194 ( 0.000 7.048 0.000) 7.048 31.246 ( 0.000 0.089 0.000) 0.089 31.336 ( 0.000 -4.610 0.000) 4.610 31.490 ( 0.000 -7.538 0.000) 7.538 31.559 ( 0.000 3.864 0.000) 3.864 31.640 ( 0.000 -0.624 0.000) 0.624 32.285 ( 0.000 4.770 0.000) 4.770 32.317 ( 0.000 3.238 0.000) 3.238 32.418 ( 0.000 -0.926 0.000) 0.926 32.453 ( 0.000 -0.929 0.000) 0.929 33.289 ( 0.000 -0.289 0.000) 0.289 33.301 ( 0.000 -2.012 0.000) 2.012 33.449 ( 0.000 1.183 0.000) 1.183 33.522 ( 0.000 -2.919 0.000) 2.919 33.911 ( 0.000 8.006 0.000) 8.006 34.231 ( 0.000 -7.617 0.000) 7.617 35.588 ( 0.000 0.169 0.000) 0.169 35.616 ( 0.000 -1.461 0.000) 1.461 35.803 ( 0.000 4.383 0.000) 4.383 35.879 ( 0.000 0.503 0.000) 0.503 35.946 ( 0.000 0.580 0.000) 0.580 36.060 ( 0.000 -4.995 0.000) 4.995 36.107 ( 0.000 4.596 0.000) 4.596 36.182 ( 0.000 4.175 0.000) 4.175 36.217 ( 0.000 -0.645 0.000) 0.645 36.302 ( 0.000 -2.888 0.000) 2.888 36.462 ( 0.000 -2.015 0.000) 2.015 36.605 ( 0.000 -7.031 0.000) 7.031 37.458 ( 0.000 13.793 0.000) 13.793 37.966 ( 0.000 -11.999 0.000) 11.999 38.473 ( 0.000 3.225 0.000) 3.225 38.525 ( 0.000 1.431 0.000) 1.431 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 4.563 15.330 6.331) 17.202 1.302 ( 0.820 6.506 -8.276) 10.559 1.342 ( -3.725 6.667 1.741) 7.833 1.393 ( -2.454 1.039 -3.734) 4.587 1.438 ( 3.296 10.449 0.843) 10.989 1.568 ( -1.986 1.951 0.622) 2.853 1.638 ( -1.320 2.745 -1.122) 3.246 1.659 ( 0.221 6.005 -0.487) 6.028 1.813 ( 1.631 -2.652 1.091) 3.299 1.845 ( -1.827 -1.443 1.286) 2.660 1.913 ( -2.481 8.688 1.102) 9.102 2.008 ( -4.427 0.782 7.070) 8.379 2.074 ( -6.692 -2.806 0.833) 7.304 2.178 ( -1.468 -1.599 -5.852) 6.242 2.247 ( -3.165 14.210 4.957) 15.379 2.447 ( 4.367 8.477 -8.087) 12.503 2.485 ( -7.384 4.071 -4.262) 9.448 2.580 ( -3.885 4.518 0.437) 5.975 2.669 ( 5.450 4.686 -8.206) 10.909 2.731 ( -1.707 6.987 0.525) 7.212 2.804 ( -1.849 -0.026 -4.517) 4.880 2.940 ( 0.054 2.507 2.823) 3.776 2.992 ( 1.202 -5.030 0.051) 5.172 3.046 ( 1.588 -5.785 -8.310) 10.249 3.180 ( 2.372 -10.222 -4.578) 11.449 3.200 ( 4.086 1.464 4.032) 5.924 3.270 ( -0.544 -4.304 4.759) 6.439 3.444 ( -6.160 4.332 -3.268) 8.210 3.504 ( -0.717 -6.847 -4.021) 7.973 3.544 ( -5.438 -3.969 -0.690) 6.768 3.683 ( -1.575 -7.115 -5.018) 8.848 3.714 ( -4.265 -3.385 9.235) 10.721 3.751 ( -0.455 4.711 7.015) 8.462 3.865 ( 3.392 1.750 -0.935) 3.930 3.966 ( -1.403 -0.659 8.308) 8.451 4.017 ( -2.662 -4.576 2.099) 5.695 4.190 ( -1.069 -1.288 -2.513) 3.019 4.236 ( -4.859 -0.080 -2.236) 5.350 4.504 ( -3.482 -0.023 -4.882) 5.997 4.549 ( 0.266 -2.328 -1.525) 2.796 4.643 ( -4.987 -3.480 -4.385) 7.497 4.676 ( 0.209 1.478 -4.412) 4.658 4.709 ( -2.472 3.234 1.467) 4.327 4.775 ( 2.406 -0.870 -0.776) 2.673 4.841 ( -0.889 -3.788 2.329) 4.535 4.896 ( -2.568 0.514 0.203) 2.627 4.961 ( 1.155 -0.591 -1.437) 1.935 5.035 ( -3.505 -1.687 0.144) 3.892 5.101 ( -4.937 1.258 -0.071) 5.095 5.140 ( 2.726 -1.071 -1.558) 3.317 5.246 ( 8.009 2.564 0.221) 8.413 5.297 ( 5.036 -1.633 -0.802) 5.354 5.375 ( 1.360 9.564 1.800) 9.827 5.460 ( -3.263 3.910 4.385) 6.720 5.462 ( 2.310 0.064 -0.447) 2.354 5.522 ( 0.466 -5.865 1.246) 6.013 5.692 ( 6.117 0.824 -1.754) 6.417 5.751 ( 1.056 -2.072 -4.247) 4.841 5.875 ( -0.230 -0.060 -0.685) 0.726 5.906 ( 3.809 2.246 -1.529) 4.679 6.049 ( -2.886 -3.730 3.040) 5.611 6.229 ( -1.447 -5.632 2.048) 6.165 6.285 ( -1.347 -2.418 -3.244) 4.264 6.333 ( -1.477 0.838 3.654) 4.029 6.462 ( 1.172 5.092 -1.399) 5.409 6.547 ( -0.676 4.477 1.222) 4.689 6.617 ( 6.179 1.684 -0.546) 6.427 6.681 ( -1.779 -3.194 0.317) 3.670 6.775 ( 1.155 -0.331 1.087) 1.620 6.962 ( 1.934 -2.312 -1.690) 3.456 7.065 ( 4.150 -5.094 1.914) 6.844 7.180 ( -0.058 -5.235 0.905) 5.313 7.371 ( 1.564 2.419 -0.882) 3.012 7.458 ( 0.481 -1.757 1.772) 2.542 7.625 ( -1.542 4.447 -4.282) 6.363 7.696 ( -1.815 1.645 -0.273) 2.465 7.874 ( -2.216 2.556 1.232) 3.601 8.007 ( -2.911 -3.559 0.980) 4.702 8.101 ( -0.027 1.553 -2.313) 2.786 8.217 ( -0.807 -2.600 1.236) 2.990 8.509 ( -0.388 2.762 0.891) 2.928 8.543 ( 0.414 2.879 1.183) 3.140 8.582 ( 1.979 0.460 -1.014) 2.271 8.615 ( 4.768 0.100 0.346) 4.781 8.644 ( -0.267 0.634 -0.693) 0.977 8.676 ( 0.552 -1.481 0.659) 1.712 8.795 ( 2.163 2.108 0.134) 3.023 8.840 ( 2.463 -0.638 0.598) 2.613 9.197 ( 1.015 1.562 -0.764) 2.014 9.219 ( -0.723 1.011 -0.771) 1.463 9.267 ( -0.663 1.388 1.887) 2.434 9.324 ( -1.755 0.072 -0.525) 1.833 9.540 ( 0.699 1.835 -1.460) 2.447 9.681 ( 1.278 -5.187 1.514) 5.552 9.867 ( -0.704 3.810 0.480) 3.904 9.981 ( -1.997 -1.372 0.227) 2.434 10.283 ( -1.231 2.850 0.042) 3.105 10.393 ( -2.295 -2.367 -1.249) 3.525 10.584 ( -0.280 5.354 -1.279) 5.512 10.770 ( -3.862 -3.118 -1.633) 5.226 11.169 ( 1.029 0.983 -0.163) 1.433 11.262 ( 0.139 -0.399 -0.027) 0.424 11.263 ( -0.785 -3.223 1.300) 3.563 11.307 ( -0.756 -1.667 0.448) 1.885 11.407 ( 1.825 -1.737 -0.248) 2.532 11.443 ( 0.377 -2.767 1.167) 3.026 11.535 ( 1.361 0.974 -0.136) 1.679 11.585 ( 2.239 -1.895 0.015) 2.933 11.850 ( -0.932 2.402 0.477) 2.621 11.895 ( 1.401 0.309 0.644) 1.572 12.057 ( -0.415 0.980 1.934) 2.207 12.096 ( 0.373 -0.562 -1.350) 1.509 12.301 ( 1.473 3.240 0.121) 3.562 12.462 ( 0.153 -4.298 3.247) 5.389 12.482 ( 0.598 0.947 0.627) 1.283 12.544 ( 0.144 -1.865 2.537) 3.152 12.999 ( 0.556 1.324 0.745) 1.618 13.044 ( 1.714 -0.934 0.194) 1.962 13.165 ( 0.930 1.396 2.157) 2.733 13.226 ( 1.253 -1.892 1.767) 2.876 13.467 ( 0.514 1.099 -1.671) 2.065 13.506 ( -0.234 -0.875 -0.179) 0.923 13.936 ( -5.838 3.433 3.506) 7.626 14.065 ( -1.394 -0.633 1.295) 2.005 14.111 ( -4.218 0.348 -0.336) 4.246 14.169 ( -1.588 -2.828 0.404) 3.269 14.212 ( 6.819 1.847 -7.786) 10.513 14.305 ( 2.355 -2.618 -3.521) 4.980 14.413 ( 1.018 -0.381 -0.854) 1.382 14.478 ( 0.752 -4.290 -0.401) 4.374 14.769 ( 1.617 2.508 0.689) 3.063 14.873 ( 4.139 -2.190 -1.111) 4.813 14.992 ( -1.866 7.473 1.211) 7.797 15.279 ( -1.323 -4.531 1.256) 4.884 15.351 ( -2.236 1.893 -2.394) 3.783 15.420 ( -1.650 -0.152 -3.272) 3.667 15.445 ( 0.504 0.672 -4.152) 4.236 15.536 ( 0.606 -3.870 0.838) 4.006 15.632 ( -5.113 1.177 5.937) 7.923 15.809 ( -3.667 -4.104 1.127) 5.618 15.838 ( -1.283 2.967 -2.017) 3.811 15.927 ( -0.981 -1.254 0.754) 1.762 16.305 ( 2.240 2.564 -2.811) 4.415 16.360 ( -3.634 1.792 7.469) 8.497 16.443 ( 1.350 -1.907 -3.444) 4.162 16.537 ( -1.185 -4.560 -1.272) 4.880 16.913 ( 1.568 2.158 0.415) 2.700 16.975 ( 0.920 -1.156 1.363) 2.010 17.443 ( 0.046 0.899 -0.322) 0.956 17.472 ( 0.983 1.004 0.930) 1.685 17.476 ( 0.257 -0.860 -0.111) 0.904 17.534 ( -0.092 -1.750 0.276) 1.774 20.479 ( 0.024 1.990 -0.222) 2.002 20.538 ( 0.385 -1.276 -0.568) 1.449 20.682 ( 0.806 2.078 -0.824) 2.376 20.755 ( 3.633 -0.658 0.879) 3.796 20.814 ( 0.148 0.276 1.240) 1.279 20.816 ( -0.349 -0.155 -0.289) 0.479 20.887 ( -0.733 3.154 -0.291) 3.252 21.032 ( -0.564 -3.894 -1.119) 4.091 21.254 ( 0.958 1.765 0.084) 2.010 21.303 ( 0.183 -0.724 -0.442) 0.868 21.522 ( 0.603 1.277 -0.194) 1.426 21.602 ( 0.019 -2.759 -0.550) 2.813 22.931 ( -2.074 3.367 -0.139) 3.957 23.037 ( 1.175 -2.343 1.092) 2.839 23.242 ( 0.048 1.568 0.199) 1.581 23.304 ( 0.092 -1.510 -0.258) 1.535 24.728 ( -0.474 0.745 -0.731) 1.146 24.762 ( 0.314 -0.785 0.727) 1.115 26.040 ( 4.081 2.892 -3.052) 5.859 26.229 ( -3.977 -6.348 4.666) 8.826 26.611 ( 1.278 8.672 -4.853) 10.019 27.011 ( -13.915 -5.946 -5.198) 16.000 28.023 ( -2.207 5.019 4.079) 6.834 28.083 ( -1.904 -1.937 7.661) 8.128 29.008 ( 5.287 0.995 -5.254) 7.520 29.068 ( 0.917 -2.388 0.341) 2.581 29.544 ( 2.602 -3.319 3.617) 5.556 29.610 ( 1.221 -5.826 1.861) 6.237 30.130 ( -0.896 1.728 0.625) 2.045 30.184 ( -0.879 -1.353 -0.612) 1.725 30.322 ( 1.922 1.843 1.308) 2.967 30.360 ( 2.014 -0.139 1.581) 2.564 31.154 ( -1.746 5.277 -1.976) 5.899 31.253 ( -0.792 1.198 1.089) 1.802 31.324 ( -0.812 -4.535 -0.581) 4.644 31.466 ( -2.717 -6.646 0.537) 7.199 31.569 ( 0.395 3.637 0.853) 3.757 31.654 ( 1.495 -0.664 -0.355) 1.674 32.313 ( 2.789 5.288 0.131) 5.980 32.342 ( 2.208 3.644 0.307) 4.272 32.421 ( -0.466 -1.779 1.605) 2.441 32.442 ( -1.754 -1.629 1.543) 2.848 33.267 ( -1.463 0.675 0.126) 1.616 33.321 ( -1.807 -2.635 4.824) 5.786 33.423 ( 1.605 4.826 -3.235) 6.027 33.585 ( 4.462 -4.618 -0.124) 6.422 33.906 ( -0.312 6.041 -0.245) 6.054 34.193 ( -3.152 -7.207 -2.021) 8.122 35.576 ( -1.070 0.281 -0.255) 1.136 35.613 ( -0.265 -1.804 -0.100) 1.826 35.810 ( 1.224 3.988 -0.920) 4.272 35.862 ( -0.442 0.303 -1.825) 1.902 35.922 ( -1.712 2.433 1.242) 3.223 36.101 ( 0.016 -0.731 5.374) 5.424 36.154 ( 0.905 -0.185 1.256) 1.559 36.172 ( 1.443 3.889 0.256) 4.156 36.269 ( 5.830 -0.133 -0.885) 5.899 36.336 ( 4.238 -3.627 -1.275) 5.722 36.457 ( 0.263 -1.933 -1.038) 2.209 36.592 ( -0.330 -5.976 -1.224) 6.109 37.451 ( 0.860 9.998 -2.807) 10.420 37.852 ( -6.803 -9.619 -8.468) 14.509 38.420 ( -2.219 6.757 -0.539) 7.132 38.538 ( -2.714 0.495 3.565) 4.508 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 2.285 9.834 -2.813) 10.480 1.220 ( 1.163 5.129 -0.797) 5.320 1.284 ( -3.930 2.942 -0.569) 4.942 1.333 ( -0.362 1.615 -1.518) 2.246 1.449 ( -0.743 7.491 -1.080) 7.605 1.595 ( -2.096 1.401 -2.023) 3.233 1.611 ( 0.861 2.662 2.364) 3.663 1.650 ( 3.590 7.803 0.069) 8.590 1.773 ( -4.453 2.698 -2.405) 5.736 1.789 ( -6.525 4.081 -2.434) 8.072 1.922 ( -0.206 4.188 3.766) 5.636 1.983 ( 1.281 -4.945 1.349) 5.284 2.050 ( -1.331 2.452 8.944) 9.369 2.151 ( -0.972 -0.880 3.838) 4.055 2.251 ( -4.149 3.441 1.976) 5.741 2.340 ( -4.833 1.493 -2.598) 5.686 2.390 ( 1.079 8.406 -5.375) 10.036 2.548 ( 0.711 4.566 -4.792) 6.657 2.644 ( -0.251 6.209 -7.311) 9.595 2.660 ( -2.071 5.128 -4.034) 6.845 2.754 ( -0.311 3.072 -4.120) 5.149 2.915 ( -5.095 2.313 0.494) 5.617 2.976 ( -0.416 -0.240 -4.005) 4.034 3.058 ( -0.090 -7.406 3.571) 8.222 3.072 ( -0.493 0.797 -6.018) 6.091 3.205 ( 3.373 -10.268 -8.631) 13.832 3.309 ( -5.562 -3.317 5.217) 8.316 3.422 ( -5.671 -5.743 4.422) 9.203 3.450 ( 4.685 1.333 -4.218) 6.443 3.505 ( 1.294 3.629 8.901) 9.699 3.661 ( 1.508 -4.704 1.874) 5.283 3.717 ( -5.681 3.060 2.238) 6.830 3.822 ( 3.002 -0.639 -2.225) 3.790 3.895 ( 0.531 4.965 0.740) 5.048 3.980 ( -4.276 -1.623 -0.760) 4.636 3.996 ( -4.973 2.595 5.516) 7.867 4.136 ( 1.521 -1.486 -2.490) 3.274 4.181 ( 3.881 -7.400 -0.698) 8.385 4.359 ( -8.436 -4.012 -2.651) 9.710 4.433 ( -7.834 -2.596 -3.807) 9.089 4.583 ( 1.166 -1.780 -0.707) 2.243 4.647 ( 0.964 -0.595 -4.025) 4.181 4.725 ( -0.006 1.292 0.848) 1.545 4.799 ( 2.184 -0.232 -0.768) 2.326 4.820 ( -2.595 -5.393 1.963) 6.299 4.902 ( -6.407 -2.666 1.263) 7.053 4.923 ( 1.519 -1.923 2.774) 3.702 5.014 ( 1.888 -0.823 -1.737) 2.694 5.034 ( -2.158 3.534 -0.949) 4.248 5.190 ( 4.567 1.009 -0.870) 4.757 5.310 ( -2.075 1.413 0.166) 2.516 5.346 ( -1.430 8.887 -2.258) 9.281 5.416 ( 3.256 -1.111 -2.295) 4.135 5.467 ( 4.813 -0.889 4.202) 6.451 5.524 ( 1.428 -0.099 1.376) 1.985 5.553 ( 2.131 -3.422 1.801) 4.415 5.725 ( 1.272 -1.862 -4.209) 4.776 5.780 ( 6.798 0.874 -2.608) 7.333 5.856 ( -0.294 -1.591 -0.157) 1.625 5.962 ( 1.345 -4.592 -0.642) 4.828 6.049 ( 2.242 -0.087 1.996) 3.003 6.184 ( -5.327 -4.674 -0.555) 7.109 6.250 ( -0.810 3.141 1.403) 3.534 6.326 ( -4.016 1.262 2.900) 5.112 6.429 ( -0.971 5.436 -4.430) 7.079 6.526 ( -1.727 4.652 -1.975) 5.341 6.662 ( 1.187 1.831 -0.253) 2.197 6.695 ( 0.035 -4.306 3.519) 5.561 6.843 ( 2.238 4.621 1.762) 5.429 6.994 ( 4.124 1.140 1.463) 4.522 7.154 ( 4.075 -4.252 -2.705) 6.481 7.213 ( 2.520 -6.469 2.187) 7.279 7.394 ( 2.082 1.979 0.491) 2.914 7.494 ( 0.805 -1.223 2.016) 2.492 7.560 ( -1.261 3.674 -2.933) 4.867 7.641 ( -2.582 1.245 -2.081) 3.542 7.867 ( -0.821 0.919 1.947) 2.304 7.949 ( -4.420 -4.090 0.071) 6.023 8.094 ( 1.514 2.359 -1.091) 3.008 8.206 ( -1.786 -2.069 0.931) 2.888 8.518 ( 0.167 1.811 0.657) 1.934 8.562 ( 0.352 4.160 0.951) 4.282 8.592 ( -0.131 0.037 -0.897) 0.907 8.629 ( 0.477 1.852 -1.051) 2.182 8.691 ( 1.860 -1.276 0.413) 2.293 8.711 ( 3.227 -1.809 1.499) 3.992 8.845 ( 3.228 2.943 -0.473) 4.394 8.884 ( 2.090 0.760 0.607) 2.305 9.186 ( -1.667 2.923 -0.659) 3.429 9.204 ( 0.922 1.164 -0.898) 1.736 9.273 ( -2.013 -0.658 -0.043) 2.119 9.285 ( -1.182 -1.422 0.715) 1.983 9.549 ( 1.687 1.826 -0.597) 2.556 9.714 ( 0.626 -6.134 1.169) 6.276 9.867 ( 0.468 2.742 0.003) 2.782 9.940 ( -3.286 -0.675 0.542) 3.398 10.265 ( -1.073 1.505 0.392) 1.889 10.343 ( -1.587 -2.151 -1.330) 2.985 10.573 ( 0.848 3.595 -1.221) 3.890 10.682 ( -4.484 -1.465 -1.171) 4.860 11.195 ( 1.672 1.106 0.226) 2.017 11.246 ( -1.315 -0.728 0.718) 1.666 11.277 ( -0.470 -1.146 0.432) 1.312 11.304 ( 0.466 -2.667 0.182) 2.713 11.430 ( 1.760 -0.721 -0.537) 1.976 11.467 ( 0.327 -2.245 1.398) 2.665 11.547 ( 0.605 0.616 -0.632) 1.070 11.620 ( 1.646 -2.734 -0.141) 3.195 11.845 ( -0.226 3.408 0.293) 3.428 11.921 ( 0.706 -0.204 0.802) 1.088 12.073 ( -0.433 1.228 1.902) 2.305 12.089 ( 0.478 0.396 -1.166) 1.321 12.329 ( 1.314 2.523 0.277) 2.858 12.491 ( -0.319 -3.187 2.772) 4.236 12.523 ( 1.886 0.235 1.524) 2.436 12.575 ( 0.115 -1.903 2.317) 3.001 13.020 ( 0.475 1.511 1.120) 1.940 13.073 ( 1.534 -1.247 -0.107) 1.979 13.216 ( 1.281 2.001 3.134) 3.933 13.269 ( 1.297 -1.431 1.672) 2.555 13.459 ( 1.397 0.655 -2.389) 2.844 13.492 ( -1.277 -0.780 -0.104) 1.500 13.890 ( -3.750 2.702 2.785) 5.396 14.016 ( -2.387 -0.836 -0.894) 2.682 14.093 ( -0.559 0.190 2.308) 2.383 14.147 ( -0.467 -2.565 -1.687) 3.106 14.218 ( 2.810 -0.523 -5.796) 6.462 14.314 ( 2.144 -3.435 -1.930) 4.486 14.424 ( 1.432 -1.025 -1.104) 2.079 14.483 ( 0.175 -4.844 -0.207) 4.852 14.820 ( 3.554 2.978 0.500) 4.663 14.909 ( 2.607 -0.085 -2.686) 3.744 14.968 ( -3.491 6.757 2.659) 8.057 15.226 ( -4.186 -3.453 0.023) 5.427 15.325 ( -0.188 0.977 0.165) 1.009 15.383 ( 0.054 0.042 -2.993) 2.993 15.433 ( 2.942 -0.445 -1.899) 3.530 15.538 ( 0.239 -4.706 -1.797) 5.043 15.614 ( -4.639 -0.048 6.169) 7.719 15.754 ( -2.920 -5.262 -0.561) 6.044 15.821 ( -0.367 3.329 1.270) 3.582 15.900 ( -1.780 -0.985 -0.968) 2.253 16.307 ( -0.057 3.348 -0.843) 3.453 16.365 ( -2.056 2.999 3.780) 5.245 16.437 ( 1.341 -3.151 -2.075) 4.004 16.488 ( -2.040 -3.225 -2.177) 4.393 16.946 ( 1.761 1.944 0.108) 2.626 16.991 ( -0.480 0.039 0.956) 1.070 17.443 ( 0.140 0.477 -0.036) 0.498 17.474 ( 0.060 -0.988 -0.398) 1.067 17.499 ( 0.781 0.628 0.908) 1.352 17.535 ( -0.209 -0.991 0.208) 1.034 20.488 ( 0.761 2.245 0.144) 2.375 20.543 ( 0.770 -0.370 -0.027) 0.855 20.683 ( 0.675 2.542 -1.380) 2.970 20.805 ( -0.927 0.260 0.420) 1.051 20.808 ( 1.715 -1.152 1.168) 2.374 20.836 ( 1.354 0.214 -0.175) 1.382 20.869 ( -1.225 1.842 0.022) 2.212 21.006 ( -0.644 -4.188 -1.449) 4.478 21.270 ( 0.812 1.456 -0.001) 1.667 21.301 ( 0.021 -0.254 -0.278) 0.377 21.534 ( 0.947 0.948 0.001) 1.340 21.593 ( -0.170 -2.054 -0.769) 2.199 22.893 ( -1.941 6.275 -0.223) 6.572 23.067 ( 0.921 -2.670 0.828) 2.944 23.248 ( 0.252 0.611 0.426) 0.786 23.300 ( -0.116 -2.263 -0.400) 2.301 24.715 ( -0.301 1.257 -0.436) 1.364 24.772 ( 0.156 -1.354 0.402) 1.421 26.084 ( 7.034 1.611 -5.987) 9.376 26.201 ( -7.272 -3.649 7.298) 10.930 26.567 ( 0.792 6.160 -5.736) 8.455 26.826 ( -6.401 -3.783 2.002) 7.701 28.011 ( -2.369 5.156 1.981) 6.010 28.130 ( -1.823 -2.944 5.975) 6.906 29.056 ( 5.631 -2.516 -3.979) 7.340 29.070 ( -0.480 -3.685 0.470) 3.745 29.588 ( 0.718 -1.701 0.822) 2.021 29.641 ( -0.274 -3.634 1.281) 3.863 30.130 ( -0.092 0.685 0.926) 1.155 30.161 ( -0.987 -1.069 -0.501) 1.540 30.360 ( 1.376 2.738 0.016) 3.064 30.388 ( -0.204 1.065 0.718) 1.301 31.125 ( -0.526 2.915 0.115) 2.964 31.238 ( -0.948 0.344 -0.796) 1.285 31.310 ( -0.679 -3.194 0.394) 3.289 31.430 ( -1.956 -5.345 0.373) 5.704 31.581 ( 0.158 3.710 0.454) 3.741 31.672 ( 1.004 -0.797 -0.360) 1.331 32.347 ( 1.175 5.455 -0.625) 5.615 32.368 ( 0.327 3.414 0.293) 3.442 32.445 ( -0.371 -1.312 3.714) 3.956 32.451 ( 1.770 -3.050 0.040) 3.527 33.254 ( -1.089 1.541 1.293) 2.288 33.342 ( -1.426 -2.833 3.844) 4.984 33.437 ( 3.734 7.169 -3.060) 8.643 33.632 ( 1.604 -2.261 -0.452) 2.808 33.907 ( 0.922 1.085 0.507) 1.511 34.096 ( -4.820 -6.099 -3.001) 8.333 35.556 ( -0.834 0.366 -0.212) 0.935 35.606 ( -0.331 -2.262 -0.140) 2.290 35.819 ( 1.259 2.962 -1.144) 3.416 35.842 ( -0.364 0.261 -0.757) 0.879 35.920 ( -0.993 5.089 2.009) 5.560 36.153 ( 0.134 4.130 0.728) 4.196 36.167 ( 0.336 2.297 4.004) 4.629 36.219 ( 1.944 0.266 0.621) 2.058 36.326 ( 0.885 -1.060 0.089) 1.383 36.389 ( 5.033 -5.946 -5.086) 9.303 36.468 ( 2.126 -1.010 0.861) 2.507 36.584 ( 0.175 -4.638 0.008) 4.641 37.425 ( 0.390 3.052 -3.286) 4.501 37.644 ( -6.057 -7.942 -7.112) 12.261 38.411 ( -1.436 7.211 3.397) 8.099 38.520 ( -1.647 1.656 0.508) 2.390 ======================= Grid point 17 (12/64) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.000 13.968 0.000) 13.968 1.232 ( 0.000 0.064 0.000) 0.064 1.278 ( 0.000 2.316 0.000) 2.316 1.314 ( -0.000 3.093 -0.000) 3.093 1.440 ( 0.000 9.495 0.000) 9.495 1.539 ( 0.000 1.502 0.000) 1.502 1.641 ( 0.000 1.115 -0.000) 1.115 1.670 ( -0.000 4.967 0.000) 4.967 1.720 ( 0.000 6.742 0.000) 6.742 1.730 ( -0.000 3.862 0.000) 3.862 1.972 ( 0.000 0.663 0.000) 0.663 1.991 ( 0.000 -5.623 0.000) 5.623 2.123 ( 0.000 2.609 0.000) 2.609 2.168 ( 0.000 1.571 0.000) 1.571 2.257 ( 0.000 -1.936 -0.000) 1.936 2.268 ( 0.000 -2.054 0.000) 2.054 2.379 ( 0.000 9.133 0.000) 9.133 2.492 ( 0.000 5.213 0.000) 5.213 2.542 ( 0.000 8.051 0.000) 8.051 2.642 ( 0.000 3.941 -0.000) 3.941 2.703 ( -0.000 1.082 0.000) 1.082 2.862 ( 0.000 1.607 0.000) 1.607 2.952 ( 0.000 3.392 0.000) 3.392 3.003 ( 0.000 1.306 -0.000) 1.306 3.133 ( 0.000 -4.505 0.000) 4.505 3.219 ( 0.000 -3.124 -0.000) 3.124 3.237 ( -0.000 -16.635 0.000) 16.635 3.378 ( 0.000 -4.646 0.000) 4.646 3.543 ( -0.000 3.840 -0.000) 3.840 3.598 ( 0.000 6.486 0.000) 6.486 3.612 ( -0.000 5.730 -0.000) 5.730 3.751 ( 0.000 -4.379 0.000) 4.379 3.755 ( -0.000 0.707 -0.000) 0.707 3.896 ( 0.000 2.051 0.000) 2.051 3.960 ( 0.000 2.411 0.000) 2.411 3.960 ( -0.000 1.367 -0.000) 1.367 4.195 ( 0.000 -3.745 0.000) 3.745 4.203 ( -0.000 -4.828 0.000) 4.828 4.270 ( 0.000 -4.266 0.000) 4.266 4.329 ( 0.000 -3.357 0.000) 3.357 4.581 ( 0.000 0.581 0.000) 0.581 4.632 ( 0.000 -3.265 0.000) 3.265 4.721 ( 0.000 2.186 0.000) 2.186 4.811 ( 0.000 2.688 0.000) 2.688 4.816 ( 0.000 -7.286 0.000) 7.286 4.856 ( -0.000 -6.787 0.000) 6.787 4.943 ( 0.000 -3.616 0.000) 3.616 5.015 ( 0.000 1.327 0.000) 1.327 5.033 ( 0.000 0.054 0.000) 0.054 5.240 ( 0.000 5.470 0.000) 5.470 5.251 ( -0.000 -0.883 0.000) 0.883 5.338 ( 0.000 8.109 -0.000) 8.109 5.424 ( 0.000 -4.360 0.000) 4.360 5.484 ( 0.000 0.637 0.000) 0.637 5.573 ( 0.000 0.386 0.000) 0.386 5.611 ( 0.000 0.442 -0.000) 0.442 5.709 ( 0.000 -2.531 0.000) 2.531 5.826 ( 0.000 -1.506 -0.000) 1.506 5.859 ( -0.000 -2.761 0.000) 2.761 5.979 ( 0.000 -6.756 0.000) 6.756 6.098 ( -0.000 -0.615 0.000) 0.615 6.105 ( 0.000 -2.543 0.000) 2.543 6.244 ( 0.000 4.248 -0.000) 4.248 6.343 ( -0.000 2.887 -0.000) 2.887 6.349 ( 0.000 4.679 0.000) 4.679 6.493 ( 0.000 5.007 0.000) 5.007 6.673 ( 0.000 1.698 0.000) 1.698 6.715 ( 0.000 -3.713 -0.000) 3.713 6.866 ( 0.000 6.758 0.000) 6.758 7.077 ( 0.000 -0.363 0.000) 0.363 7.139 ( 0.000 0.641 0.000) 0.641 7.258 ( 0.000 -7.262 0.000) 7.262 7.447 ( -0.000 2.029 -0.000) 2.029 7.475 ( 0.000 3.378 0.000) 3.378 7.557 ( 0.000 -1.697 0.000) 1.697 7.595 ( 0.000 0.170 0.000) 0.170 7.882 ( -0.000 -0.264 -0.000) 0.264 7.894 ( 0.000 -4.346 0.000) 4.346 8.108 ( 0.000 2.723 0.000) 2.723 8.192 ( 0.000 -1.520 0.000) 1.520 8.524 ( 0.000 1.344 0.000) 1.344 8.566 ( 0.000 -0.591 -0.000) 0.591 8.586 ( 0.000 5.993 -0.000) 5.993 8.628 ( 0.000 2.430 0.000) 2.430 8.708 ( 0.000 -2.342 0.000) 2.342 8.754 ( 0.000 -2.309 0.000) 2.309 8.867 ( 0.000 3.443 0.000) 3.443 8.912 ( 0.000 1.652 0.000) 1.652 9.167 ( 0.000 3.128 0.000) 3.128 9.215 ( -0.000 1.872 0.000) 1.872 9.235 ( 0.000 -1.720 0.000) 1.720 9.285 ( 0.000 -2.567 0.000) 2.567 9.565 ( 0.000 1.467 0.000) 1.467 9.725 ( 0.000 -6.610 0.000) 6.610 9.877 ( -0.000 1.754 0.000) 1.754 9.906 ( 0.000 0.380 -0.000) 0.380 10.259 ( 0.000 0.668 0.000) 0.668 10.322 ( 0.000 -2.000 0.000) 2.000 10.583 ( -0.000 2.358 0.000) 2.358 10.626 ( 0.000 -0.364 0.000) 0.364 11.213 ( -0.000 1.256 0.000) 1.256 11.239 ( 0.000 -0.060 0.000) 0.060 11.269 ( 0.000 -0.935 0.000) 0.935 11.314 ( 0.000 -3.155 0.000) 3.155 11.445 ( 0.000 -0.131 -0.000) 0.131 11.476 ( 0.000 -1.909 0.000) 1.909 11.547 ( 0.000 0.444 0.000) 0.444 11.632 ( 0.000 -3.319 0.000) 3.319 11.845 ( 0.000 3.863 0.000) 3.863 11.932 ( 0.000 -0.263 0.000) 0.263 12.080 ( 0.000 0.896 0.000) 0.896 12.087 ( 0.000 1.033 -0.000) 1.033 12.342 ( 0.000 2.290 0.000) 2.290 12.506 ( 0.000 -3.572 0.000) 3.572 12.550 ( 0.000 1.210 0.000) 1.210 12.589 ( 0.000 -2.369 0.000) 2.369 13.031 ( 0.000 1.774 0.000) 1.774 13.086 ( 0.000 -1.146 0.000) 1.146 13.250 ( 0.000 1.979 0.000) 1.979 13.291 ( 0.000 -1.132 0.000) 1.132 13.466 ( 0.000 -0.497 -0.000) 0.497 13.470 ( -0.000 0.053 0.000) 0.053 13.875 ( 0.000 2.452 0.000) 2.452 13.993 ( 0.000 -0.518 0.000) 0.518 14.111 ( 0.000 -1.559 -0.000) 1.559 14.125 ( 0.000 -1.542 0.000) 1.542 14.206 ( 0.000 -1.847 -0.000) 1.847 14.321 ( 0.000 -4.654 0.000) 4.654 14.431 ( 0.000 -1.533 0.000) 1.533 14.482 ( 0.000 -5.028 0.000) 5.028 14.866 ( -0.000 2.314 0.000) 2.314 14.908 ( 0.000 0.888 0.000) 0.888 14.949 ( 0.000 7.484 0.000) 7.484 15.189 ( 0.000 -2.801 0.000) 2.801 15.328 ( 0.000 -0.030 0.000) 0.030 15.361 ( 0.000 1.550 0.000) 1.550 15.458 ( 0.000 -1.803 0.000) 1.803 15.523 ( 0.000 -4.874 -0.000) 4.874 15.616 ( -0.000 -0.412 0.000) 0.412 15.720 ( 0.000 -4.975 0.000) 4.975 15.838 ( 0.000 1.304 0.000) 1.304 15.867 ( 0.000 0.254 0.000) 0.254 16.297 ( 0.000 4.807 0.000) 4.807 16.376 ( -0.000 1.466 0.000) 1.466 16.437 ( 0.000 -3.200 -0.000) 3.200 16.450 ( 0.000 -2.040 0.000) 2.040 16.963 ( 0.000 1.450 0.000) 1.450 16.990 ( 0.000 1.128 0.000) 1.128 17.444 ( 0.000 0.398 0.000) 0.398 17.473 ( 0.000 -1.095 0.000) 1.095 17.511 ( 0.000 0.388 0.000) 0.388 17.533 ( 0.000 -0.450 0.000) 0.450 20.496 ( 0.000 2.452 0.000) 2.452 20.553 ( 0.000 0.022 0.000) 0.022 20.680 ( 0.000 2.906 0.000) 2.906 20.799 ( 0.000 0.280 0.000) 0.280 20.841 ( -0.000 2.010 -0.000) 2.010 20.846 ( -0.000 -2.941 0.000) 2.941 20.847 ( 0.000 1.475 -0.000) 1.475 20.991 ( 0.000 -4.436 0.000) 4.436 21.277 ( 0.000 1.378 0.000) 1.378 21.299 ( 0.000 -0.002 0.000) 0.002 21.545 ( 0.000 0.529 0.000) 0.529 21.585 ( 0.000 -1.434 0.000) 1.434 22.874 ( 0.000 7.449 0.000) 7.449 23.079 ( 0.000 -2.733 0.000) 2.733 23.254 ( 0.000 0.062 0.000) 0.062 23.295 ( 0.000 -2.491 0.000) 2.491 24.710 ( 0.000 1.441 0.000) 1.441 24.775 ( 0.000 -1.562 0.000) 1.562 26.122 ( -0.000 0.560 0.000) 0.560 26.167 ( 0.000 -1.947 -0.000) 1.947 26.539 ( 0.000 5.424 0.000) 5.424 26.796 ( 0.000 -6.125 0.000) 6.125 28.001 ( 0.000 5.220 0.000) 5.220 28.148 ( 0.000 -2.662 0.000) 2.662 29.062 ( 0.000 -3.528 -0.000) 3.528 29.090 ( -0.000 -4.679 0.000) 4.679 29.598 ( 0.000 -0.443 0.000) 0.443 29.641 ( 0.000 -1.801 0.000) 1.801 30.143 ( -0.000 -0.112 -0.000) 0.112 30.143 ( 0.000 -0.553 0.000) 0.553 30.370 ( 0.000 3.345 0.000) 3.345 30.385 ( 0.000 1.857 0.000) 1.857 31.125 ( 0.000 1.770 0.000) 1.770 31.223 ( 0.000 -0.127 0.000) 0.127 31.307 ( 0.000 -2.401 0.000) 2.401 31.416 ( 0.000 -4.789 0.000) 4.789 31.585 ( 0.000 3.772 0.000) 3.772 31.678 ( 0.000 -0.943 0.000) 0.943 32.350 ( 0.000 4.611 -0.000) 4.611 32.370 ( 0.000 2.610 0.000) 2.610 32.468 ( -0.000 -0.475 0.000) 0.475 32.470 ( 0.000 -2.643 -0.000) 2.643 33.253 ( 0.000 1.660 0.000) 1.660 33.352 ( 0.000 -2.935 0.000) 2.935 33.456 ( 0.000 8.349 0.000) 8.349 33.638 ( 0.000 -0.183 0.000) 0.183 33.943 ( 0.000 -3.125 0.000) 3.125 34.011 ( 0.000 -4.438 0.000) 4.438 35.548 ( 0.000 0.353 0.000) 0.353 35.602 ( 0.000 -2.373 0.000) 2.373 35.825 ( 0.000 2.176 0.000) 2.176 35.834 ( 0.000 0.253 0.000) 0.253 35.924 ( 0.000 6.803 0.000) 6.803 36.156 ( 0.000 4.790 0.000) 4.790 36.200 ( 0.000 2.725 0.000) 2.725 36.233 ( 0.000 3.670 0.000) 3.670 36.332 ( 0.000 -4.959 0.000) 4.959 36.391 ( 0.000 -5.490 0.000) 5.490 36.509 ( 0.000 -1.895 0.000) 1.895 36.584 ( 0.000 -3.012 0.000) 3.012 37.409 ( 0.000 -0.377 0.000) 0.377 37.549 ( 0.000 -8.339 0.000) 8.339 38.422 ( 0.000 6.959 0.000) 6.959 38.508 ( 0.000 2.395 0.000) 2.395 ======================= Grid point 21 (13/64) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 0.000 -11.275 0.000) 11.275 1.260 ( 0.000 11.275 0.000) 11.275 1.431 ( 0.000 -0.556 0.000) 0.556 1.431 ( 0.000 0.556 0.000) 0.556 1.634 ( 0.000 -5.780 0.000) 5.780 1.634 ( 0.000 5.780 0.000) 5.780 1.693 ( 0.000 -1.710 0.000) 1.710 1.693 ( 0.000 1.710 0.000) 1.710 1.745 ( 0.000 -7.247 0.000) 7.247 1.745 ( 0.000 7.247 0.000) 7.247 2.007 ( 0.000 -4.459 0.000) 4.459 2.007 ( 0.000 4.459 0.000) 4.459 2.122 ( 0.000 -7.566 0.000) 7.566 2.122 ( 0.000 7.566 0.000) 7.566 2.549 ( 0.000 -3.326 0.000) 3.326 2.549 ( 0.000 3.326 0.000) 3.326 2.684 ( 0.000 -4.108 0.000) 4.108 2.684 ( 0.000 4.108 0.000) 4.108 2.788 ( 0.000 -9.363 0.000) 9.363 2.788 ( 0.000 9.363 0.000) 9.363 2.838 ( 0.000 -8.560 0.000) 8.560 2.838 ( 0.000 8.560 0.000) 8.560 2.968 ( 0.000 -9.579 0.000) 9.579 2.968 ( 0.000 9.579 0.000) 9.579 3.186 ( 0.000 -8.467 0.000) 8.467 3.186 ( 0.000 8.467 0.000) 8.467 3.215 ( 0.000 -2.605 0.000) 2.605 3.215 ( 0.000 2.605 0.000) 2.605 3.582 ( 0.000 -0.700 0.000) 0.700 3.582 ( 0.000 0.700 0.000) 0.700 3.630 ( 0.000 -2.580 0.000) 2.580 3.630 ( 0.000 2.580 0.000) 2.580 3.852 ( 0.000 -7.284 0.000) 7.284 3.852 ( 0.000 7.284 0.000) 7.284 3.901 ( 0.000 -5.674 0.000) 5.674 3.901 ( 0.000 5.674 0.000) 5.674 4.264 ( 0.000 -4.563 0.000) 4.563 4.264 ( 0.000 4.563 0.000) 4.563 4.545 ( 0.000 -0.244 0.000) 0.244 4.545 ( 0.000 0.244 0.000) 0.244 4.716 ( 0.000 -3.749 0.000) 3.749 4.716 ( 0.000 3.749 0.000) 3.749 4.759 ( 0.000 -0.864 0.000) 0.864 4.759 ( 0.000 0.864 0.000) 0.864 4.863 ( 0.000 -6.525 0.000) 6.525 4.863 ( 0.000 6.525 0.000) 6.525 4.984 ( 0.000 -3.173 0.000) 3.173 4.984 ( 0.000 3.173 0.000) 3.173 5.155 ( 0.000 -0.891 0.000) 0.891 5.155 ( 0.000 0.891 0.000) 0.891 5.227 ( 0.000 -2.775 0.000) 2.775 5.227 ( 0.000 2.775 0.000) 2.775 5.390 ( 0.000 -1.624 0.000) 1.624 5.390 ( 0.000 1.624 0.000) 1.624 5.571 ( 0.000 -6.558 0.000) 6.558 5.571 ( 0.000 6.558 0.000) 6.558 5.682 ( 0.000 -5.438 0.000) 5.438 5.682 ( 0.000 5.438 0.000) 5.438 5.896 ( 0.000 -3.988 0.000) 3.988 5.896 ( 0.000 3.988 0.000) 3.988 6.072 ( 0.000 -6.725 0.000) 6.725 6.072 ( 0.000 6.725 0.000) 6.725 6.299 ( 0.000 -0.761 0.000) 0.761 6.299 ( 0.000 0.761 0.000) 0.761 6.505 ( 0.000 -0.518 0.000) 0.518 6.505 ( 0.000 0.518 0.000) 0.518 6.677 ( 0.000 -4.280 0.000) 4.280 6.677 ( 0.000 4.280 0.000) 4.280 6.777 ( 0.000 -5.154 0.000) 5.154 6.777 ( 0.000 5.154 0.000) 5.154 7.080 ( 0.000 -4.368 0.000) 4.368 7.080 ( 0.000 4.368 0.000) 4.368 7.413 ( 0.000 -1.998 0.000) 1.998 7.413 ( 0.000 1.998 0.000) 1.998 7.715 ( 0.000 -0.491 0.000) 0.491 7.715 ( 0.000 0.491 0.000) 0.491 7.954 ( 0.000 -3.851 0.000) 3.851 7.954 ( 0.000 3.851 0.000) 3.851 8.156 ( 0.000 -2.976 0.000) 2.976 8.156 ( 0.000 2.976 0.000) 2.976 8.544 ( 0.000 -0.048 0.000) 0.048 8.544 ( 0.000 0.048 0.000) 0.048 8.581 ( 0.000 -0.577 0.000) 0.577 8.581 ( 0.000 0.577 0.000) 0.577 8.665 ( 0.000 -0.708 0.000) 0.708 8.665 ( 0.000 0.708 0.000) 0.708 8.787 ( 0.000 -0.851 0.000) 0.851 8.787 ( 0.000 0.851 0.000) 0.851 9.210 ( 0.000 -0.545 0.000) 0.545 9.210 ( 0.000 0.545 0.000) 0.545 9.327 ( 0.000 -2.126 0.000) 2.126 9.327 ( 0.000 2.126 0.000) 2.126 9.589 ( 0.000 -2.808 0.000) 2.808 9.589 ( 0.000 2.808 0.000) 2.808 9.947 ( 0.000 -3.535 0.000) 3.535 9.947 ( 0.000 3.535 0.000) 3.535 10.364 ( 0.000 -3.536 0.000) 3.536 10.364 ( 0.000 3.536 0.000) 3.536 10.715 ( 0.000 -6.181 0.000) 6.181 10.715 ( 0.000 6.181 0.000) 6.181 11.193 ( 0.000 -2.274 0.000) 2.274 11.193 ( 0.000 2.274 0.000) 2.274 11.283 ( 0.000 -1.221 0.000) 1.221 11.283 ( 0.000 1.221 0.000) 1.221 11.384 ( 0.000 -1.820 0.000) 1.820 11.384 ( 0.000 1.820 0.000) 1.820 11.540 ( 0.000 -0.932 0.000) 0.932 11.540 ( 0.000 0.932 0.000) 0.932 11.881 ( 0.000 -0.359 0.000) 0.359 11.881 ( 0.000 0.359 0.000) 0.359 12.072 ( 0.000 -1.592 0.000) 1.592 12.072 ( 0.000 1.592 0.000) 1.592 12.363 ( 0.000 -4.057 0.000) 4.057 12.363 ( 0.000 4.057 0.000) 4.057 12.495 ( 0.000 -1.201 0.000) 1.201 12.495 ( 0.000 1.201 0.000) 1.201 13.013 ( 0.000 -0.844 0.000) 0.844 13.013 ( 0.000 0.844 0.000) 0.844 13.168 ( 0.000 -1.594 0.000) 1.594 13.168 ( 0.000 1.594 0.000) 1.594 13.492 ( 0.000 -0.955 0.000) 0.955 13.492 ( 0.000 0.955 0.000) 0.955 14.050 ( 0.000 -2.880 0.000) 2.880 14.050 ( 0.000 2.880 0.000) 2.880 14.153 ( 0.000 -0.805 0.000) 0.805 14.153 ( 0.000 0.805 0.000) 0.805 14.229 ( 0.000 -2.912 0.000) 2.912 14.229 ( 0.000 2.912 0.000) 2.912 14.420 ( 0.000 -1.728 0.000) 1.728 14.420 ( 0.000 1.728 0.000) 1.728 14.791 ( 0.000 -2.100 0.000) 2.100 14.791 ( 0.000 2.100 0.000) 2.100 15.163 ( 0.000 -7.986 0.000) 7.986 15.163 ( 0.000 7.986 0.000) 7.986 15.425 ( 0.000 -2.360 0.000) 2.360 15.425 ( 0.000 2.360 0.000) 2.360 15.483 ( 0.000 -1.043 0.000) 1.043 15.483 ( 0.000 1.043 0.000) 1.043 15.737 ( 0.000 -6.098 0.000) 6.098 15.737 ( 0.000 6.098 0.000) 6.098 15.907 ( 0.000 -1.081 0.000) 1.081 15.907 ( 0.000 1.081 0.000) 1.081 16.342 ( 0.000 -0.169 0.000) 0.169 16.342 ( 0.000 0.169 0.000) 0.169 16.467 ( 0.000 -3.203 0.000) 3.203 16.467 ( 0.000 3.203 0.000) 3.203 16.930 ( 0.000 -1.511 0.000) 1.511 16.930 ( 0.000 1.511 0.000) 1.511 17.460 ( 0.000 -0.590 0.000) 0.590 17.460 ( 0.000 0.590 0.000) 0.590 17.493 ( 0.000 -2.249 0.000) 2.249 17.493 ( 0.000 2.249 0.000) 2.249 20.511 ( 0.000 -1.343 0.000) 1.343 20.511 ( 0.000 1.343 0.000) 1.343 20.710 ( 0.000 -0.149 0.000) 0.149 20.710 ( 0.000 0.149 0.000) 0.149 20.814 ( 0.000 -0.476 0.000) 0.476 20.814 ( 0.000 0.476 0.000) 0.476 20.967 ( 0.000 -4.097 0.000) 4.097 20.967 ( 0.000 4.097 0.000) 4.097 21.280 ( 0.000 -1.646 0.000) 1.646 21.280 ( 0.000 1.646 0.000) 1.646 21.553 ( 0.000 -2.339 0.000) 2.339 21.553 ( 0.000 2.339 0.000) 2.339 22.982 ( 0.000 -1.828 0.000) 1.828 22.982 ( 0.000 1.828 0.000) 1.828 23.277 ( 0.000 -1.797 0.000) 1.797 23.277 ( 0.000 1.797 0.000) 1.797 24.746 ( 0.000 -0.218 0.000) 0.218 24.746 ( 0.000 0.218 0.000) 0.218 26.108 ( 0.000 -5.701 0.000) 5.701 26.108 ( 0.000 5.701 0.000) 5.701 26.883 ( 0.000 -16.266 0.000) 16.266 26.883 ( 0.000 16.266 0.000) 16.266 28.069 ( 0.000 -2.612 0.000) 2.612 28.069 ( 0.000 2.612 0.000) 2.612 29.041 ( 0.000 -0.499 0.000) 0.499 29.041 ( 0.000 0.499 0.000) 0.499 29.487 ( 0.000 -3.155 0.000) 3.155 29.487 ( 0.000 3.155 0.000) 3.155 30.174 ( 0.000 -1.448 0.000) 1.448 30.174 ( 0.000 1.448 0.000) 1.448 30.315 ( 0.000 -0.180 0.000) 0.180 30.315 ( 0.000 0.180 0.000) 0.180 31.268 ( 0.000 -2.331 0.000) 2.331 31.268 ( 0.000 2.331 0.000) 2.331 31.339 ( 0.000 -8.002 0.000) 8.002 31.339 ( 0.000 8.002 0.000) 8.002 31.618 ( 0.000 -2.092 0.000) 2.092 31.618 ( 0.000 2.092 0.000) 2.092 32.333 ( 0.000 -0.953 0.000) 0.953 32.333 ( 0.000 0.953 0.000) 0.953 32.435 ( 0.000 -1.468 0.000) 1.468 32.435 ( 0.000 1.468 0.000) 1.468 33.281 ( 0.000 -0.003 0.000) 0.003 33.281 ( 0.000 0.003 0.000) 0.003 33.478 ( 0.000 -1.871 0.000) 1.871 33.478 ( 0.000 1.871 0.000) 1.871 34.072 ( 0.000 -8.835 0.000) 8.835 34.072 ( 0.000 8.835 0.000) 8.835 35.595 ( 0.000 -0.692 0.000) 0.692 35.595 ( 0.000 0.692 0.000) 0.692 35.872 ( 0.000 -1.962 0.000) 1.962 35.872 ( 0.000 1.962 0.000) 1.962 35.974 ( 0.000 -3.215 0.000) 3.215 35.974 ( 0.000 3.215 0.000) 3.215 36.183 ( 0.000 -3.147 0.000) 3.147 36.183 ( 0.000 3.147 0.000) 3.147 36.251 ( 0.000 -2.727 0.000) 2.727 36.251 ( 0.000 2.727 0.000) 2.727 36.484 ( 0.000 -4.627 0.000) 4.627 36.484 ( 0.000 4.627 0.000) 4.627 37.721 ( 0.000 -13.735 0.000) 13.735 37.721 ( 0.000 13.735 0.000) 13.735 38.522 ( 0.000 -1.618 0.000) 1.618 38.522 ( 0.000 1.618 0.000) 1.618 ======================= Grid point 23 (14/64) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -0.947 -8.052 0.745) 8.142 1.249 ( -0.947 8.052 0.745) 8.142 1.393 ( -2.702 -0.991 -1.987) 3.497 1.393 ( -2.702 0.991 -1.987) 3.497 1.601 ( -3.277 -2.177 1.022) 4.065 1.601 ( -3.277 2.177 1.022) 4.065 1.693 ( -0.128 -4.446 0.750) 4.510 1.693 ( -0.128 4.446 0.750) 4.510 1.789 ( 2.612 -2.528 0.166) 3.639 1.789 ( 2.612 2.528 0.166) 3.639 1.995 ( -2.280 -2.409 1.342) 3.578 1.995 ( -2.280 2.409 1.342) 3.578 2.105 ( -2.001 -4.845 0.168) 5.245 2.105 ( -2.001 4.845 0.168) 5.245 2.492 ( -8.298 -4.556 -0.615) 9.486 2.492 ( -8.298 4.556 -0.615) 9.486 2.627 ( 2.711 -7.440 -9.668) 12.497 2.627 ( 2.711 7.440 -9.668) 12.497 2.769 ( -1.400 -8.746 -1.091) 8.925 2.769 ( -1.400 8.746 -1.091) 8.925 2.873 ( 2.187 -3.409 4.319) 5.921 2.873 ( 2.187 3.409 4.319) 5.921 2.902 ( -1.202 -8.181 -6.949) 10.801 2.902 ( -1.202 8.181 -6.949) 10.801 3.169 ( -0.277 -7.934 -3.828) 8.813 3.169 ( -0.277 7.934 -3.828) 8.813 3.310 ( 3.435 -7.729 5.529) 10.105 3.310 ( 3.435 7.729 5.529) 10.105 3.538 ( -4.290 -1.111 -3.047) 5.378 3.538 ( -4.290 1.111 -3.047) 5.378 3.604 ( -3.571 -5.259 6.127) 8.829 3.604 ( -3.571 5.259 6.127) 8.829 3.866 ( -1.159 -5.742 4.366) 7.306 3.866 ( -1.159 5.742 4.366) 7.306 3.936 ( 3.625 -2.891 1.011) 4.745 3.936 ( 3.625 2.891 1.011) 4.745 4.213 ( -4.623 -2.407 -3.457) 6.255 4.213 ( -4.623 2.407 -3.457) 6.255 4.501 ( -2.888 -1.702 -2.537) 4.204 4.501 ( -2.888 1.702 -2.537) 4.204 4.645 ( -1.110 -2.926 -6.841) 7.522 4.645 ( -1.110 2.926 -6.841) 7.522 4.756 ( -2.440 -0.986 0.207) 2.640 4.756 ( -2.440 0.986 0.207) 2.640 4.876 ( -2.814 -4.314 3.174) 6.050 4.876 ( -2.814 4.314 3.174) 6.050 4.963 ( 0.557 -2.398 -1.992) 3.167 4.963 ( 0.557 2.398 -1.992) 3.167 5.139 ( 0.809 -1.015 -0.881) 1.569 5.139 ( 0.809 1.015 -0.881) 1.569 5.276 ( 6.155 -0.468 1.622) 6.382 5.276 ( 6.155 0.468 1.622) 6.382 5.440 ( -0.918 -0.824 0.509) 1.334 5.440 ( -0.918 0.824 0.509) 1.334 5.545 ( -0.746 -2.748 1.265) 3.116 5.545 ( -0.746 2.748 1.265) 3.116 5.684 ( 2.393 -3.723 -1.827) 4.788 5.684 ( 2.393 3.723 -1.827) 4.788 5.909 ( 0.701 -3.650 -1.746) 4.107 5.909 ( 0.701 3.650 -1.746) 4.107 6.077 ( 1.195 -7.886 -0.345) 7.983 6.077 ( 1.195 7.886 -0.345) 7.983 6.299 ( -1.052 -2.763 1.770) 3.446 6.299 ( -1.052 2.763 1.770) 3.446 6.552 ( 1.845 -4.728 2.193) 5.528 6.552 ( 1.845 4.728 2.193) 5.528 6.643 ( -2.334 -3.347 0.850) 4.168 6.643 ( -2.334 3.347 0.850) 4.168 6.839 ( 7.258 -6.596 -1.718) 9.957 6.839 ( 7.258 6.596 -1.718) 9.957 7.087 ( 0.539 -4.215 0.859) 4.335 7.087 ( 0.539 4.215 0.859) 4.335 7.419 ( 0.445 -2.394 0.676) 2.527 7.419 ( 0.445 2.394 0.676) 2.527 7.693 ( -1.515 -2.201 -1.761) 3.200 7.693 ( -1.515 2.201 -1.761) 3.200 7.934 ( -2.877 -3.844 0.713) 4.854 7.934 ( -2.877 3.844 0.713) 4.854 8.151 ( -0.708 -3.605 0.588) 3.721 8.151 ( -0.708 3.605 0.588) 3.721 8.553 ( 0.454 -1.383 0.169) 1.466 8.553 ( 0.454 1.383 0.169) 1.466 8.606 ( 2.349 -1.181 0.741) 2.732 8.606 ( 2.349 1.181 0.741) 2.732 8.655 ( 0.159 -0.767 -0.636) 1.009 8.655 ( 0.159 0.767 -0.636) 1.009 8.825 ( 3.192 -1.053 0.741) 3.442 8.825 ( 3.192 1.053 0.741) 3.442 9.215 ( 0.422 -0.620 -0.014) 0.750 9.215 ( 0.422 0.620 -0.014) 0.750 9.308 ( -1.818 -1.846 -0.389) 2.620 9.308 ( -1.818 1.846 -0.389) 2.620 9.596 ( 0.713 -3.837 0.046) 3.903 9.596 ( 0.713 3.837 0.046) 3.903 9.936 ( -1.381 -3.225 0.212) 3.515 9.936 ( -1.381 3.225 0.212) 3.515 10.342 ( -1.725 -3.034 -1.017) 3.635 10.342 ( -1.725 3.034 -1.017) 3.635 10.687 ( -2.078 -5.286 -1.350) 5.838 10.687 ( -2.078 5.286 -1.350) 5.838 11.203 ( 0.705 -2.611 0.603) 2.771 11.203 ( 0.705 2.611 0.603) 2.771 11.278 ( -1.016 -1.401 0.636) 1.844 11.278 ( -1.016 1.401 0.636) 1.844 11.400 ( 1.574 -1.210 0.437) 2.033 11.400 ( 1.574 1.210 0.437) 2.033 11.556 ( 1.503 -1.276 -0.066) 1.973 11.556 ( 1.503 1.276 -0.066) 1.973 11.887 ( 0.282 -1.280 0.560) 1.425 11.887 ( 0.282 1.280 0.560) 1.425 12.078 ( 0.435 -1.169 0.340) 1.293 12.078 ( 0.435 1.169 0.340) 1.293 12.376 ( 0.364 -4.489 1.653) 4.798 12.376 ( 0.364 4.489 1.653) 4.798 12.510 ( 0.658 -1.767 1.733) 2.561 12.510 ( 0.658 1.767 1.733) 2.561 13.023 ( 0.954 -1.217 0.398) 1.597 13.023 ( 0.954 1.217 0.398) 1.597 13.193 ( 1.292 -1.597 2.266) 3.059 13.193 ( 1.292 1.597 2.266) 3.059 13.488 ( 0.082 -1.053 -0.805) 1.328 13.488 ( 0.082 1.053 -0.805) 1.328 14.011 ( -5.343 -4.177 2.109) 7.103 14.011 ( -5.343 4.177 2.109) 7.103 14.127 ( -2.243 -1.537 1.048) 2.914 14.127 ( -2.243 1.537 1.048) 2.914 14.255 ( 5.890 -2.577 -7.270) 9.705 14.255 ( 5.890 2.577 -7.270) 9.705 14.424 ( 0.277 -1.637 0.059) 1.661 14.424 ( 0.277 1.637 0.059) 1.661 14.818 ( 3.317 -2.792 -0.381) 4.352 14.818 ( 3.317 2.792 -0.381) 4.352 15.152 ( -2.406 -8.276 1.412) 8.734 15.152 ( -2.406 8.276 1.412) 8.734 15.394 ( -0.682 -2.103 -3.374) 4.034 15.394 ( -0.682 2.103 -3.374) 4.034 15.472 ( -0.683 -2.192 -0.476) 2.345 15.472 ( -0.683 2.192 -0.476) 2.345 15.707 ( -4.048 -5.614 1.344) 7.051 15.707 ( -4.048 5.614 1.344) 7.051 15.894 ( -1.178 -2.339 -0.115) 2.622 15.894 ( -1.178 2.339 -0.115) 2.622 16.354 ( 0.378 -2.144 1.039) 2.412 16.354 ( 0.378 2.144 1.039) 2.412 16.458 ( -0.544 -3.279 -1.031) 3.480 16.458 ( -0.544 3.279 -1.031) 3.480 16.949 ( 1.205 -1.668 1.134) 2.350 16.949 ( 1.205 1.668 1.134) 2.350 17.459 ( 0.218 -0.878 -0.590) 1.080 17.459 ( 0.218 0.878 -0.590) 1.080 17.500 ( 0.327 -1.766 0.801) 1.966 17.500 ( 0.327 1.766 0.801) 1.966 20.512 ( 0.575 -1.531 -0.275) 1.658 20.512 ( 0.575 1.531 -0.275) 1.658 20.725 ( 1.834 -2.226 -0.600) 2.946 20.725 ( 1.834 2.226 -0.600) 2.946 20.817 ( -0.175 -0.074 0.969) 0.987 20.817 ( -0.175 0.074 0.969) 0.987 20.956 ( -0.754 -4.020 -0.786) 4.165 20.956 ( -0.754 4.020 -0.786) 4.165 21.284 ( 0.489 -1.347 -0.051) 1.433 21.284 ( 0.489 1.347 -0.051) 1.433 21.554 ( 0.390 -2.151 -0.337) 2.212 21.554 ( 0.390 2.151 -0.337) 2.212 22.988 ( 0.016 -2.796 0.842) 2.921 22.988 ( 0.016 2.796 0.842) 2.921 23.274 ( -0.313 -1.721 -0.152) 1.755 23.274 ( -0.313 1.721 -0.152) 1.755 24.745 ( -0.079 -0.939 -0.030) 0.942 24.745 ( -0.079 0.939 -0.030) 0.942 26.116 ( 1.483 -5.166 -1.013) 5.470 26.116 ( 1.483 5.166 -1.013) 5.470 26.816 ( -6.195 -12.151 -1.146) 13.687 26.816 ( -6.195 12.151 -1.146) 13.687 28.072 ( -2.769 -0.944 4.860) 5.672 28.072 ( -2.769 0.944 4.860) 5.672 29.037 ( 2.123 -1.496 -3.575) 4.419 29.037 ( 2.123 1.496 -3.575) 4.419 29.529 ( 2.583 -1.974 2.102) 3.872 29.529 ( 2.583 1.974 2.102) 3.872 30.159 ( -1.178 -1.400 -0.059) 1.831 30.159 ( -1.178 1.400 -0.059) 1.831 30.350 ( 2.520 -0.985 1.211) 2.965 30.350 ( 2.520 0.985 1.211) 2.965 31.238 ( -1.364 -3.610 -2.597) 4.652 31.238 ( -1.364 3.610 -2.597) 4.652 31.336 ( -1.431 -6.212 1.784) 6.620 31.336 ( -1.431 6.212 1.784) 6.620 31.629 ( 0.938 -2.268 0.115) 2.457 31.629 ( 0.938 2.268 0.115) 2.457 32.365 ( 3.527 -0.877 0.076) 3.635 32.365 ( 3.527 0.877 0.076) 3.635 32.423 ( -2.287 -1.071 1.556) 2.967 32.423 ( -2.287 1.071 1.556) 2.967 33.282 ( -1.144 -1.333 2.130) 2.761 33.282 ( -1.144 1.333 2.130) 2.761 33.503 ( 3.542 -4.060 -1.160) 5.511 33.503 ( 3.542 4.060 -1.160) 5.511 34.045 ( -2.271 -8.051 -1.401) 8.482 34.045 ( -2.271 8.051 -1.401) 8.482 35.587 ( -0.741 -0.932 -0.265) 1.220 35.587 ( -0.741 0.932 -0.265) 1.220 35.858 ( 0.323 -1.057 -2.349) 2.597 35.858 ( 0.323 1.057 -2.349) 2.597 36.005 ( 0.069 -5.997 4.737) 7.643 36.005 ( 0.069 5.997 4.737) 7.643 36.202 ( 1.518 -2.575 0.496) 3.030 36.202 ( 1.518 2.575 0.496) 3.030 36.280 ( 3.979 -2.234 -1.210) 4.721 36.280 ( 3.979 2.234 -1.210) 4.721 36.482 ( 0.437 -4.558 -0.746) 4.640 36.482 ( 0.437 4.558 -0.746) 4.640 37.654 ( -4.225 -10.990 -5.100) 12.831 37.654 ( -4.225 10.990 -5.100) 12.831 38.513 ( -2.113 -3.142 2.131) 4.345 38.513 ( -2.113 3.142 2.131) 4.345 ======================= Grid point 25 (15/64) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -1.379 -1.327 0.285) 1.935 1.249 ( -1.379 1.327 0.285) 1.935 1.329 ( -1.388 -1.765 -1.264) 2.577 1.329 ( -1.388 1.765 -1.264) 2.577 1.581 ( -0.877 -3.078 1.212) 3.423 1.581 ( -0.877 3.078 1.212) 3.423 1.695 ( -1.549 -4.565 3.816) 6.148 1.695 ( -1.549 4.565 3.816) 6.148 1.823 ( 0.451 -2.654 -0.776) 2.802 1.823 ( 0.451 2.654 -0.776) 2.802 1.914 ( -1.213 -1.282 -5.551) 5.824 1.914 ( -1.213 1.282 -5.551) 5.824 2.129 ( -0.141 -2.369 6.965) 7.358 2.129 ( -0.141 2.369 6.965) 7.358 2.326 ( -6.684 -3.428 -4.454) 8.733 2.326 ( -6.684 3.428 -4.454) 8.733 2.570 ( 1.033 -4.490 -7.965) 9.202 2.570 ( 1.033 4.490 -7.965) 9.202 2.725 ( -1.881 -1.866 -2.831) 3.877 2.725 ( -1.881 1.866 -2.831) 3.877 2.820 ( -1.918 -10.676 -1.562) 10.959 2.820 ( -1.918 10.676 -1.562) 10.959 2.964 ( 0.224 -5.414 4.609) 7.114 2.964 ( 0.224 5.414 4.609) 7.114 3.093 ( -0.310 -3.527 -6.816) 7.680 3.093 ( -0.310 3.527 -6.816) 7.680 3.295 ( -6.520 -1.620 1.390) 6.861 3.295 ( -6.520 1.620 1.390) 6.861 3.533 ( 3.223 -5.107 3.177) 6.823 3.533 ( 3.223 5.107 3.177) 6.823 3.674 ( 1.314 -7.379 7.631) 10.696 3.674 ( 1.314 7.379 7.631) 10.696 3.877 ( -0.165 -5.382 -2.249) 5.835 3.877 ( -0.165 5.382 -2.249) 5.835 4.007 ( -1.024 -2.652 2.388) 3.713 4.007 ( -1.024 2.652 2.388) 3.713 4.106 ( 1.922 -1.336 -3.881) 4.532 4.106 ( 1.922 1.336 -3.881) 4.532 4.356 ( -8.539 -3.945 -3.443) 10.016 4.356 ( -8.539 3.945 -3.443) 10.016 4.600 ( 1.939 -3.135 -3.677) 5.206 4.600 ( 1.939 3.135 -3.677) 5.206 4.733 ( 0.546 -1.958 -0.561) 2.109 4.733 ( 0.546 1.958 -0.561) 2.109 4.844 ( -5.176 -3.539 2.493) 6.748 4.844 ( -5.176 3.539 2.493) 6.748 4.956 ( -0.623 -3.629 -0.160) 3.685 4.956 ( -0.623 3.629 -0.160) 3.685 5.146 ( 1.153 -6.175 -0.814) 6.334 5.146 ( 1.153 6.175 -0.814) 6.334 5.352 ( -1.668 -3.402 1.558) 4.097 5.352 ( -1.668 3.402 1.558) 4.097 5.471 ( 6.144 -1.840 0.540) 6.436 5.471 ( 6.144 1.840 0.540) 6.436 5.543 ( 0.440 -5.274 0.182) 5.296 5.543 ( 0.440 5.274 0.182) 5.296 5.724 ( 3.692 -4.501 -3.166) 6.627 5.724 ( 3.692 4.501 -3.166) 6.627 5.875 ( -0.902 -3.807 -1.293) 4.121 5.875 ( -0.902 3.807 -1.293) 4.121 6.089 ( 0.144 -4.362 -0.683) 4.417 6.089 ( 0.144 4.362 -0.683) 4.417 6.309 ( -0.857 -2.671 3.206) 4.260 6.309 ( -0.857 2.671 3.206) 4.260 6.528 ( -3.214 -4.817 -2.228) 6.204 6.528 ( -3.214 4.817 -2.228) 6.204 6.661 ( 0.207 -1.946 2.751) 3.376 6.661 ( 0.207 1.946 2.751) 3.376 6.957 ( 7.808 -5.550 -0.919) 9.624 6.957 ( 7.808 5.550 -0.919) 9.624 7.121 ( 2.071 -2.609 0.982) 3.473 7.121 ( 2.071 2.609 0.982) 3.473 7.448 ( 1.496 -3.146 2.009) 4.022 7.448 ( 1.496 3.146 2.009) 4.022 7.632 ( -3.156 -2.731 -2.341) 4.786 7.632 ( -3.156 2.731 -2.341) 4.786 7.888 ( -2.793 -2.193 0.139) 3.554 7.888 ( -2.793 2.193 0.139) 3.554 8.152 ( -0.289 -3.319 1.104) 3.510 8.152 ( -0.289 3.319 1.104) 3.510 8.551 ( -0.589 -1.713 0.085) 1.814 8.551 ( -0.589 1.713 0.085) 1.814 8.659 ( 3.267 -3.018 -0.658) 4.496 8.659 ( 3.267 3.018 -0.658) 4.496 8.663 ( 0.115 -1.729 1.357) 2.201 8.663 ( 0.115 1.729 1.357) 2.201 8.886 ( 3.377 -0.956 0.059) 3.511 8.886 ( 3.377 0.956 0.059) 3.511 9.214 ( -0.082 -0.096 -0.708) 0.719 9.214 ( -0.082 0.096 -0.708) 0.719 9.269 ( -2.314 -0.451 -0.072) 2.358 9.269 ( -2.314 0.451 -0.072) 2.358 9.609 ( 0.643 -4.561 0.211) 4.611 9.609 ( 0.643 4.561 0.211) 4.611 9.914 ( -1.281 -2.014 0.196) 2.395 9.914 ( -1.281 2.014 0.196) 2.395 10.302 ( -1.460 -2.189 -0.866) 2.770 10.302 ( -1.460 2.189 -0.866) 2.770 10.637 ( -1.902 -3.088 -1.120) 3.795 10.637 ( -1.902 3.088 -1.120) 3.795 11.224 ( 0.760 -1.880 0.754) 2.164 11.224 ( 0.760 1.880 0.754) 2.164 11.269 ( -0.665 -1.026 0.445) 1.301 11.269 ( -0.665 1.026 0.445) 1.301 11.435 ( 1.608 -1.145 0.557) 2.051 11.435 ( 1.608 1.145 0.557) 2.051 11.572 ( 0.760 -2.062 -0.542) 2.263 11.572 ( 0.760 2.062 -0.542) 2.263 11.900 ( 0.399 -2.123 0.608) 2.244 11.900 ( 0.399 2.123 0.608) 2.244 12.088 ( 0.268 -0.444 0.266) 0.583 12.088 ( 0.268 0.444 0.266) 0.583 12.402 ( 0.349 -4.889 1.774) 5.212 12.402 ( 0.349 4.889 1.774) 5.212 12.546 ( 0.967 -1.505 1.921) 2.625 12.546 ( 0.967 1.505 1.921) 2.625 13.047 ( 1.038 -1.422 0.674) 1.885 13.047 ( 1.038 1.422 0.674) 1.885 13.245 ( 1.388 -1.237 2.510) 3.124 13.245 ( 1.388 1.237 2.510) 3.124 13.477 ( -0.099 -0.969 -1.173) 1.525 13.477 ( -0.099 0.969 -1.173) 1.525 13.955 ( -3.616 -4.075 1.792) 5.735 13.955 ( -3.616 4.075 1.792) 5.735 14.109 ( -1.095 -1.405 0.478) 1.844 14.109 ( -1.095 1.405 0.478) 1.844 14.250 ( 2.914 -3.048 -6.276) 7.561 14.250 ( 2.914 3.048 -6.276) 7.561 14.425 ( 0.160 -1.388 -0.422) 1.460 14.425 ( 0.160 1.388 -0.422) 1.460 14.874 ( 4.049 -2.571 -1.476) 5.018 14.874 ( 4.049 2.571 -1.476) 5.018 15.115 ( -3.917 -7.468 2.211) 8.718 15.115 ( -3.917 7.468 2.211) 8.718 15.367 ( 0.280 -2.149 -0.685) 2.272 15.367 ( 0.280 2.149 -0.685) 2.272 15.454 ( 0.307 -3.193 -2.156) 3.865 15.454 ( 0.307 3.193 -2.156) 3.865 15.657 ( -3.506 -4.234 1.602) 5.726 15.657 ( -3.506 4.234 1.602) 5.726 15.874 ( -1.127 -2.008 0.095) 2.305 15.874 ( -1.127 2.008 0.095) 2.305 16.368 ( -0.070 -3.121 0.956) 3.265 16.368 ( -0.070 3.121 0.956) 3.265 16.430 ( -0.845 -2.851 -1.569) 3.362 16.430 ( -0.845 2.851 -1.569) 3.362 16.979 ( 0.783 -1.358 0.863) 1.790 16.979 ( 0.783 1.358 0.863) 1.790 17.456 ( 0.128 -0.884 -0.462) 1.006 17.456 ( 0.128 0.884 -0.462) 1.006 17.515 ( 0.345 -1.044 0.681) 1.293 17.515 ( 0.345 1.044 0.681) 1.293 20.527 ( 1.127 -1.546 0.055) 1.914 20.527 ( 1.127 1.546 0.055) 1.914 20.742 ( 1.030 -3.618 -0.785) 3.843 20.742 ( 1.030 3.618 -0.785) 3.843 20.830 ( 0.207 -0.889 1.326) 1.610 20.830 ( 0.207 0.889 1.326) 1.610 20.929 ( -1.003 -3.863 -1.262) 4.186 20.929 ( -1.003 3.863 -1.262) 4.186 21.292 ( 0.407 -0.809 -0.012) 0.906 21.292 ( 0.407 0.809 -0.012) 0.906 21.558 ( 0.471 -1.597 -0.341) 1.700 21.558 ( 0.471 1.597 -0.341) 1.700 22.997 ( -0.117 -4.667 0.734) 4.726 22.997 ( -0.117 4.667 0.734) 4.726 23.266 ( -0.280 -1.353 -0.156) 1.391 23.266 ( -0.280 1.353 -0.156) 1.391 24.743 ( -0.076 -1.589 -0.033) 1.591 24.743 ( -0.076 1.589 -0.033) 1.591 26.129 ( 1.540 -3.320 -1.256) 3.869 26.129 ( 1.540 3.320 -1.256) 3.869 26.708 ( -5.154 -7.871 -0.030) 9.408 26.708 ( -5.154 7.871 -0.030) 9.408 28.081 ( -2.293 -2.612 4.278) 5.512 28.081 ( -2.293 2.612 4.278) 5.512 29.037 ( 1.941 -0.279 -2.595) 3.253 29.037 ( 1.941 0.279 -2.595) 3.253 29.585 ( 1.759 -1.609 1.060) 2.609 29.585 ( 1.759 1.609 1.060) 2.609 30.144 ( -0.646 -0.782 0.124) 1.022 30.144 ( -0.646 0.782 0.124) 1.022 30.393 ( 1.208 -0.666 0.454) 1.453 30.393 ( 1.208 0.666 0.454) 1.453 31.192 ( -1.039 -3.897 -1.443) 4.284 31.192 ( -1.039 3.897 -1.443) 4.284 31.332 ( -0.933 -4.362 1.120) 4.599 31.332 ( -0.933 4.362 1.120) 4.599 31.642 ( 0.564 -2.436 -0.113) 2.504 31.642 ( 0.564 2.436 -0.113) 2.504 32.399 ( 0.178 -0.424 -1.733) 1.793 32.399 ( 0.178 0.424 -1.733) 1.793 32.432 ( 1.144 -0.570 3.373) 3.607 32.432 ( 1.144 0.570 3.373) 3.607 33.290 ( -0.880 -2.384 2.095) 3.293 33.290 ( -0.880 2.384 2.095) 3.293 33.556 ( 3.824 -5.347 -0.873) 6.632 33.556 ( 3.824 5.347 -0.873) 6.632 33.980 ( -3.052 -5.729 -1.696) 6.709 33.980 ( -3.052 5.729 -1.696) 6.709 35.572 ( -0.621 -1.312 -0.252) 1.474 35.572 ( -0.621 1.312 -0.252) 1.474 35.841 ( 0.265 -0.330 -1.402) 1.464 35.841 ( 0.265 0.330 -1.402) 1.464 36.063 ( 0.325 -8.435 4.582) 9.604 36.063 ( 0.325 8.435 4.582) 9.604 36.231 ( 1.141 -3.080 0.621) 3.342 36.231 ( 1.141 3.080 0.621) 3.342 36.323 ( 3.160 -0.446 -2.986) 4.370 36.323 ( 3.160 0.446 -2.986) 4.370 36.495 ( 1.603 -4.019 0.212) 4.332 36.495 ( 1.603 4.019 0.212) 4.332 37.512 ( -4.914 -5.961 -4.962) 9.181 37.512 ( -4.914 5.961 -4.962) 9.181 38.508 ( -1.373 -2.943 2.195) 3.920 38.508 ( -1.373 2.943 2.195) 3.920 ======================= Grid point 27 (16/64) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 -1.236 0.000) 1.236 1.221 ( 0.000 1.237 0.000) 1.237 1.321 ( 0.000 -1.626 0.000) 1.626 1.321 ( 0.000 1.626 0.000) 1.626 1.577 ( 0.000 -1.160 0.000) 1.160 1.577 ( 0.000 1.160 0.000) 1.160 1.719 ( 0.000 -4.268 0.000) 4.268 1.719 ( 0.000 4.268 0.000) 4.268 1.783 ( 0.000 -0.526 0.000) 0.526 1.783 ( 0.000 0.526 0.000) 0.526 1.931 ( 0.000 -1.951 0.000) 1.951 1.931 ( 0.000 1.951 0.000) 1.951 2.163 ( 0.000 -2.006 0.000) 2.006 2.163 ( -0.000 2.006 0.000) 2.006 2.239 ( 0.000 -0.308 -0.000) 0.308 2.239 ( 0.000 0.308 0.000) 0.308 2.514 ( 0.000 -1.870 0.000) 1.870 2.514 ( -0.000 1.870 0.000) 1.870 2.680 ( 0.000 -2.665 0.000) 2.665 2.680 ( 0.000 2.665 0.000) 2.665 2.798 ( 0.000 -10.154 0.000) 10.154 2.798 ( 0.000 10.154 0.000) 10.154 2.977 ( 0.000 -2.486 0.000) 2.486 2.977 ( -0.000 2.486 0.000) 2.486 3.064 ( 0.000 -2.612 0.000) 2.612 3.064 ( 0.000 2.612 0.000) 2.612 3.240 ( 0.000 -5.933 0.000) 5.933 3.240 ( 0.000 5.933 -0.000) 5.933 3.629 ( -0.000 -4.312 0.000) 4.312 3.629 ( 0.000 4.312 0.000) 4.312 3.707 ( 0.000 -1.851 0.000) 1.851 3.707 ( -0.000 1.851 0.000) 1.851 3.837 ( 0.000 -9.102 0.000) 9.102 3.837 ( 0.000 9.102 -0.000) 9.102 3.990 ( 0.000 -0.937 0.000) 0.937 3.990 ( 0.000 0.937 0.000) 0.937 4.152 ( 0.000 -1.355 0.000) 1.355 4.152 ( -0.000 1.355 0.000) 1.355 4.253 ( 0.000 -3.267 0.000) 3.267 4.253 ( 0.000 3.267 0.000) 3.267 4.593 ( 0.000 -0.532 0.000) 0.532 4.593 ( -0.000 0.532 0.000) 0.532 4.741 ( 0.000 -2.490 0.000) 2.490 4.741 ( -0.000 2.490 0.000) 2.490 4.800 ( 0.000 -3.677 0.000) 3.677 4.800 ( 0.000 3.677 0.000) 3.677 4.946 ( 0.000 -2.964 0.000) 2.964 4.946 ( -0.000 2.964 0.000) 2.964 5.157 ( 0.000 -7.614 0.000) 7.614 5.157 ( 0.000 7.614 0.000) 7.614 5.336 ( -0.000 -4.641 0.000) 4.641 5.336 ( 0.000 4.641 0.000) 4.641 5.512 ( 0.000 -4.414 0.000) 4.414 5.512 ( 0.000 4.414 0.000) 4.414 5.584 ( 0.000 -2.464 0.000) 2.464 5.584 ( 0.000 2.464 0.000) 2.464 5.724 ( 0.000 -6.525 0.000) 6.525 5.724 ( 0.000 6.525 0.000) 6.525 5.871 ( 0.000 -3.917 0.000) 3.917 5.871 ( 0.000 3.917 0.000) 3.917 6.077 ( 0.000 -0.274 0.000) 0.274 6.077 ( 0.000 0.274 0.000) 0.274 6.327 ( 0.000 -3.738 0.000) 3.738 6.327 ( 0.000 3.738 0.000) 3.738 6.474 ( 0.000 -6.556 0.000) 6.556 6.474 ( 0.000 6.556 0.000) 6.556 6.678 ( 0.000 -0.888 0.000) 0.888 6.678 ( 0.000 0.888 0.000) 0.888 7.023 ( 0.000 -6.720 0.000) 6.720 7.023 ( -0.000 6.720 0.000) 6.720 7.150 ( 0.000 -2.252 0.000) 2.252 7.150 ( 0.000 2.252 0.000) 2.252 7.495 ( -0.000 -2.509 -0.000) 2.509 7.495 ( 0.000 2.509 0.000) 2.509 7.567 ( 0.000 -3.092 0.000) 3.092 7.567 ( 0.000 3.092 0.000) 3.092 7.863 ( 0.000 -0.566 0.000) 0.566 7.863 ( 0.000 0.566 0.000) 0.566 8.158 ( 0.000 -2.210 0.000) 2.210 8.158 ( 0.000 2.210 0.000) 2.210 8.546 ( 0.000 -1.188 0.000) 1.188 8.546 ( 0.000 1.188 0.000) 1.188 8.668 ( 0.000 -1.921 0.000) 1.921 8.668 ( 0.000 1.921 -0.000) 1.921 8.689 ( 0.000 -4.507 0.000) 4.507 8.689 ( 0.000 4.507 0.000) 4.507 8.919 ( 0.000 -1.256 0.000) 1.256 8.919 ( 0.000 1.256 0.000) 1.256 9.208 ( 0.000 -1.439 0.000) 1.439 9.208 ( 0.000 1.439 0.000) 1.439 9.245 ( 0.000 -1.609 0.000) 1.609 9.245 ( 0.000 1.609 0.000) 1.609 9.616 ( 0.000 -4.347 0.000) 4.347 9.616 ( 0.000 4.347 0.000) 4.347 9.904 ( 0.000 -0.766 0.000) 0.766 9.904 ( 0.000 0.766 0.000) 0.766 10.284 ( 0.000 -1.850 0.000) 1.850 10.284 ( 0.000 1.850 0.000) 1.850 10.614 ( 0.000 -0.996 0.000) 0.996 10.614 ( 0.000 0.996 0.000) 0.996 11.235 ( -0.000 -0.745 0.000) 0.745 11.235 ( 0.000 0.745 0.000) 0.745 11.267 ( 0.000 -1.304 0.000) 1.304 11.267 ( 0.000 1.304 0.000) 1.304 11.453 ( 0.000 -0.825 0.000) 0.825 11.453 ( 0.000 0.825 0.000) 0.825 11.573 ( 0.000 -2.497 0.000) 2.497 11.573 ( 0.000 2.497 0.000) 2.497 11.907 ( 0.000 -2.401 0.000) 2.401 11.907 ( 0.000 2.401 0.000) 2.401 12.091 ( 0.000 -0.335 0.000) 0.335 12.091 ( 0.000 0.335 0.000) 0.335 12.416 ( 0.000 -5.019 0.000) 5.019 12.416 ( 0.000 5.019 0.000) 5.019 12.567 ( 0.000 -0.698 0.000) 0.698 12.567 ( 0.000 0.698 0.000) 0.698 13.061 ( 0.000 -1.449 0.000) 1.449 13.061 ( 0.000 1.449 0.000) 1.449 13.274 ( 0.000 -0.817 0.000) 0.817 13.274 ( 0.000 0.817 0.000) 0.817 13.467 ( 0.000 -0.340 0.000) 0.340 13.467 ( 0.000 0.340 0.000) 0.340 13.935 ( 0.000 -3.935 0.000) 3.935 13.935 ( 0.000 3.935 -0.000) 3.935 14.102 ( 0.000 -0.606 0.000) 0.606 14.102 ( 0.000 0.606 0.000) 0.606 14.236 ( 0.000 -3.854 0.000) 3.854 14.236 ( 0.000 3.854 0.000) 3.854 14.424 ( 0.000 -1.115 0.000) 1.115 14.424 ( 0.000 1.115 0.000) 1.115 14.901 ( 0.000 -1.241 0.000) 1.241 14.901 ( 0.000 1.241 0.000) 1.241 15.093 ( 0.000 -6.874 0.000) 6.874 15.093 ( 0.000 6.874 0.000) 6.874 15.370 ( 0.000 -2.030 0.000) 2.030 15.370 ( 0.000 2.030 0.000) 2.030 15.443 ( 0.000 -1.542 0.000) 1.542 15.443 ( 0.000 1.542 0.000) 1.542 15.636 ( 0.000 -2.874 0.000) 2.874 15.636 ( 0.000 2.874 0.000) 2.874 15.864 ( 0.000 -0.768 0.000) 0.768 15.864 ( 0.000 0.768 0.000) 0.768 16.372 ( -0.000 -3.531 0.000) 3.531 16.372 ( -0.000 3.531 0.000) 3.531 16.412 ( 0.000 -2.071 -0.000) 2.071 16.412 ( 0.000 2.071 0.000) 2.071 16.990 ( 0.000 -1.002 0.000) 1.002 16.990 ( 0.000 1.002 0.000) 1.002 17.454 ( 0.000 -0.752 0.000) 0.752 17.454 ( 0.000 0.752 0.000) 0.752 17.522 ( 0.000 -0.668 0.000) 0.668 17.522 ( 0.000 0.668 0.000) 0.668 20.539 ( 0.000 -1.643 0.000) 1.643 20.539 ( 0.000 1.643 0.000) 1.643 20.745 ( 0.000 -4.003 0.000) 4.003 20.745 ( 0.000 4.003 0.000) 4.003 20.842 ( 0.000 -0.717 0.000) 0.717 20.842 ( 0.000 0.717 0.000) 0.717 20.910 ( 0.000 -4.025 0.000) 4.025 20.910 ( 0.000 4.025 0.000) 4.025 21.295 ( 0.000 -0.525 0.000) 0.525 21.295 ( 0.000 0.525 0.000) 0.525 21.560 ( 0.000 -1.089 0.000) 1.089 21.560 ( 0.000 1.089 0.000) 1.089 22.999 ( 0.000 -5.613 0.000) 5.613 22.999 ( 0.000 5.613 0.000) 5.613 23.263 ( 0.000 -0.998 0.000) 0.998 23.263 ( 0.000 0.998 0.000) 0.998 24.742 ( 0.000 -1.826 0.000) 1.826 24.742 ( 0.000 1.826 0.000) 1.826 26.136 ( 0.000 -1.162 0.000) 1.162 26.136 ( 0.000 1.162 0.000) 1.162 26.664 ( 0.000 -7.343 -0.000) 7.343 26.664 ( 0.000 7.343 0.000) 7.343 28.086 ( 0.000 -3.805 0.000) 3.805 28.086 ( 0.000 3.805 0.000) 3.805 29.040 ( 0.000 -0.781 0.000) 0.781 29.040 ( 0.000 0.781 0.000) 0.781 29.605 ( 0.000 -1.345 0.000) 1.345 29.605 ( 0.000 1.345 0.000) 1.345 30.140 ( 0.000 -0.087 0.000) 0.087 30.140 ( 0.000 0.087 0.000) 0.087 30.403 ( 0.000 -0.183 0.000) 0.183 30.403 ( 0.000 0.183 0.000) 0.183 31.177 ( 0.000 -3.445 0.000) 3.445 31.177 ( 0.000 3.445 0.000) 3.445 31.330 ( 0.000 -3.747 0.000) 3.747 31.330 ( 0.000 3.747 0.000) 3.747 31.646 ( 0.000 -2.507 0.000) 2.507 31.646 ( 0.000 2.507 0.000) 2.507 32.390 ( 0.000 -0.195 -0.000) 0.195 32.390 ( 0.000 0.195 0.000) 0.195 32.463 ( 0.000 -0.604 0.000) 0.604 32.463 ( -0.000 0.604 0.000) 0.604 33.295 ( 0.000 -2.765 0.000) 2.765 33.295 ( 0.000 2.765 0.000) 2.765 33.588 ( 0.000 -5.165 0.000) 5.165 33.588 ( 0.000 5.165 0.000) 5.165 33.938 ( 0.000 -2.539 0.000) 2.539 33.938 ( 0.000 2.539 0.000) 2.539 35.565 ( 0.000 -1.455 0.000) 1.455 35.565 ( 0.000 1.455 0.000) 1.455 35.836 ( 0.000 -0.028 0.000) 0.028 35.836 ( 0.000 0.028 0.000) 0.028 36.095 ( 0.000 -9.477 0.000) 9.477 36.095 ( 0.000 9.477 0.000) 9.477 36.246 ( 0.000 -3.751 0.000) 3.751 36.246 ( 0.000 3.751 0.000) 3.751 36.326 ( 0.000 -0.522 0.000) 0.522 36.326 ( 0.000 0.522 0.000) 0.522 36.516 ( 0.000 -3.128 0.000) 3.128 36.516 ( 0.000 3.128 0.000) 3.128 37.437 ( 0.000 -3.570 0.000) 3.570 37.437 ( 0.000 3.570 0.000) 3.570 38.510 ( 0.000 -2.285 0.000) 2.285 38.510 ( 0.000 2.285 0.000) 2.285 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 7.762 0.000 24.227) 25.440 0.629 ( -12.912 0.000 30.814) 33.410 0.905 ( -8.584 0.000 45.073) 45.884 1.291 ( -3.498 0.000 -7.480) 8.258 1.322 ( 1.917 0.000 -0.743) 2.056 1.393 ( -1.556 0.000 -0.840) 1.768 1.548 ( 2.849 0.000 -2.166) 3.579 1.682 ( -11.217 0.000 -6.431) 12.930 1.707 ( -9.579 0.000 -0.225) 9.581 1.822 ( 6.696 0.000 1.149) 6.794 1.874 ( 2.046 0.000 1.075) 2.311 2.020 ( 5.707 0.000 -0.464) 5.726 2.097 ( -1.375 0.000 6.039) 6.193 2.104 ( 1.574 0.000 -3.240) 3.602 2.214 ( -0.600 0.000 0.901) 1.083 2.284 ( -4.465 0.000 -5.722) 7.258 2.508 ( -1.793 0.000 -4.880) 5.199 2.519 ( -8.099 0.000 -5.011) 9.524 2.634 ( -2.175 0.000 -1.484) 2.633 2.659 ( -11.373 0.000 -0.041) 11.373 2.840 ( 0.099 0.000 -6.571) 6.572 2.845 ( 6.187 0.000 0.318) 6.195 3.054 ( 9.515 0.000 -19.417) 21.623 3.144 ( 2.549 0.000 0.668) 2.635 3.167 ( 0.083 0.000 -6.204) 6.205 3.305 ( -2.614 0.000 -1.843) 3.198 3.314 ( 3.819 0.000 1.932) 4.279 3.355 ( 10.280 0.000 0.620) 10.299 3.549 ( 6.663 0.000 -3.247) 7.412 3.592 ( -3.058 0.000 3.762) 4.848 3.726 ( 1.064 0.000 -10.467) 10.521 3.743 ( -1.037 0.000 -1.395) 1.738 3.841 ( 0.674 0.000 -4.132) 4.186 3.988 ( -0.015 0.000 2.920) 2.920 4.035 ( -3.544 0.000 9.157) 9.819 4.133 ( -3.793 0.000 3.612) 5.238 4.260 ( -0.209 0.000 6.507) 6.510 4.327 ( 5.251 0.000 -7.567) 9.211 4.388 ( 0.757 0.000 10.764) 10.791 4.531 ( -4.479 0.000 -5.822) 7.345 4.623 ( -3.555 0.000 -2.058) 4.108 4.641 ( 9.570 0.000 -3.617) 10.230 4.700 ( -0.622 0.000 -3.514) 3.568 4.796 ( -5.074 0.000 -2.854) 5.821 4.833 ( 2.028 0.000 -4.734) 5.150 5.031 ( -0.460 0.000 -0.521) 0.695 5.078 ( 8.889 0.000 -2.163) 9.148 5.092 ( -2.577 0.000 0.291) 2.594 5.133 ( -0.597 0.000 0.108) 0.607 5.165 ( -1.304 0.000 -1.136) 1.729 5.168 ( 0.906 0.000 -0.074) 0.909 5.213 ( -3.149 0.000 5.427) 6.274 5.396 ( -4.078 0.000 -1.576) 4.372 5.429 ( 1.944 0.000 4.722) 5.107 5.476 ( 4.001 0.000 3.647) 5.414 5.535 ( 2.865 0.000 -0.981) 3.028 5.693 ( -0.004 0.000 0.350) 0.350 5.780 ( 2.399 0.000 3.660) 4.376 5.809 ( 2.154 0.000 -1.659) 2.719 5.960 ( -11.057 0.000 3.971) 11.749 6.031 ( 1.156 0.000 5.434) 5.556 6.148 ( 1.898 0.000 0.982) 2.137 6.273 ( -2.499 0.000 -2.014) 3.210 6.369 ( -0.820 0.000 1.692) 1.880 6.371 ( 0.020 0.000 -1.499) 1.499 6.516 ( -3.480 0.000 -1.651) 3.851 6.533 ( -5.150 0.000 2.553) 5.748 6.706 ( 2.440 0.000 -3.833) 4.544 6.718 ( 4.898 0.000 7.143) 8.661 7.077 ( -6.269 0.000 0.501) 6.289 7.161 ( 6.864 0.000 -4.821) 8.388 7.288 ( -2.219 0.000 -7.536) 7.856 7.388 ( 2.922 0.000 -2.402) 3.782 7.396 ( -4.292 0.000 3.535) 5.560 7.569 ( -0.432 0.000 3.161) 3.191 7.649 ( -0.615 0.000 0.090) 0.621 7.799 ( -3.130 0.000 5.664) 6.471 7.991 ( 2.684 0.000 -7.822) 8.270 8.132 ( 1.155 0.000 -1.336) 1.766 8.157 ( -1.873 0.000 0.637) 1.978 8.475 ( 3.685 0.000 0.133) 3.687 8.495 ( -2.189 0.000 0.724) 2.305 8.517 ( -2.168 0.000 0.223) 2.179 8.532 ( 3.191 0.000 -1.568) 3.555 8.660 ( 4.020 0.000 1.752) 4.385 8.681 ( -5.784 0.000 2.742) 6.401 8.760 ( -2.851 0.000 -2.421) 3.740 8.815 ( 3.009 0.000 -0.838) 3.123 9.087 ( -0.321 0.000 -0.066) 0.328 9.118 ( -0.252 0.000 -1.069) 1.098 9.314 ( 0.681 0.000 3.219) 3.291 9.321 ( -0.408 0.000 1.148) 1.218 9.516 ( -2.203 0.000 -1.511) 2.672 9.702 ( 2.610 0.000 -5.606) 6.184 9.918 ( 0.537 0.000 5.746) 5.771 9.989 ( -1.813 0.000 4.115) 4.497 10.272 ( 2.350 0.000 0.730) 2.461 10.400 ( 0.645 0.000 -2.963) 3.032 10.507 ( -4.206 0.000 3.457) 5.444 10.763 ( 1.307 0.000 -2.166) 2.529 11.159 ( -3.472 0.000 1.061) 3.630 11.277 ( 2.563 0.000 -2.089) 3.306 11.323 ( 1.540 0.000 -2.039) 2.555 11.362 ( -0.110 0.000 -3.475) 3.477 11.487 ( -2.225 0.000 0.921) 2.408 11.510 ( -0.601 0.000 1.410) 1.533 11.564 ( 5.020 0.000 -0.140) 5.022 11.610 ( -0.238 0.000 -0.821) 0.854 11.846 ( -2.183 0.000 2.832) 3.576 11.878 ( -1.413 0.000 4.020) 4.261 12.061 ( 3.675 0.000 -3.941) 5.388 12.072 ( 1.172 0.000 -2.785) 3.022 12.261 ( -4.644 0.000 3.848) 6.031 12.455 ( 1.405 0.000 -3.541) 3.809 12.568 ( 0.157 0.000 4.363) 4.366 12.618 ( 1.595 0.000 3.709) 4.038 12.989 ( -1.371 0.000 4.642) 4.840 13.113 ( -0.894 0.000 0.815) 1.210 13.286 ( -0.306 0.000 1.440) 1.472 13.364 ( -1.595 0.000 -5.349) 5.582 13.483 ( -19.645 0.000 2.226) 19.771 13.634 ( -10.547 0.000 1.033) 10.597 13.763 ( 3.962 0.000 -10.358) 11.089 13.831 ( 8.981 0.000 -4.503) 10.046 14.101 ( -1.823 0.000 7.492) 7.711 14.158 ( -5.840 0.000 3.119) 6.621 14.348 ( -13.457 0.000 0.829) 13.482 14.385 ( 2.503 0.000 1.193) 2.772 14.394 ( 2.391 0.000 -2.799) 3.681 14.606 ( 3.827 0.000 -5.461) 6.669 14.744 ( 1.872 0.000 4.676) 5.037 14.796 ( -3.875 0.000 7.263) 8.232 14.988 ( 0.942 0.000 -0.183) 0.960 15.292 ( 2.132 0.000 -3.464) 4.068 15.306 ( 0.706 0.000 4.976) 5.026 15.352 ( 4.003 0.000 -4.232) 5.825 15.447 ( -5.164 0.000 0.068) 5.165 15.495 ( 4.709 0.000 -0.925) 4.799 15.690 ( 6.357 0.000 -3.582) 7.297 15.756 ( -3.123 0.000 -4.785) 5.714 15.987 ( -4.212 0.000 3.842) 5.701 16.166 ( 4.356 0.000 -3.594) 5.647 16.183 ( 2.121 0.000 3.199) 3.838 16.375 ( -6.094 0.000 5.664) 8.320 16.487 ( 1.741 0.000 -3.515) 3.922 16.713 ( -3.359 0.000 3.097) 4.569 16.792 ( 3.214 0.000 -4.982) 5.928 16.970 ( 9.673 0.000 -4.759) 10.780 17.446 ( -1.689 0.000 2.528) 3.040 17.464 ( 3.637 0.000 1.507) 3.937 17.464 ( 0.735 0.000 -0.409) 0.841 17.581 ( -0.288 0.000 0.115) 0.310 20.422 ( 0.119 0.000 1.230) 1.236 20.575 ( 2.204 0.000 -3.260) 3.936 20.633 ( -2.663 0.000 1.258) 2.945 20.678 ( 9.025 0.000 1.194) 9.104 20.798 ( -1.659 0.000 0.219) 1.674 20.819 ( 0.713 0.000 -0.135) 0.725 20.877 ( -2.548 0.000 2.937) 3.888 21.109 ( 0.553 0.000 -2.850) 2.904 21.263 ( -5.275 0.000 1.423) 5.463 21.356 ( -1.990 0.000 3.252) 3.812 21.471 ( 1.157 0.000 -2.483) 2.739 21.630 ( 2.550 0.000 -4.677) 5.327 22.830 ( -5.264 0.000 4.688) 7.049 23.093 ( -1.337 0.000 2.694) 3.007 23.164 ( 4.237 0.000 -3.364) 5.410 23.293 ( 3.159 0.000 -2.605) 4.094 24.822 ( -5.054 0.000 7.567) 9.100 25.500 ( -63.137 0.000 3.513) 63.235 25.722 ( 9.436 0.000 -19.737) 21.877 26.037 ( 20.055 0.000 -16.092) 25.713 26.802 ( -15.549 0.000 19.647) 25.056 26.822 ( -10.472 0.000 21.912) 24.286 27.717 ( 5.094 0.000 -8.542) 9.946 27.966 ( 24.967 0.000 -13.447) 28.358 29.058 ( -3.843 0.000 5.910) 7.050 29.267 ( 2.528 0.000 -0.676) 2.616 29.721 ( 33.905 0.000 2.113) 33.971 29.783 ( -2.503 0.000 0.417) 2.538 30.107 ( -0.521 0.000 2.445) 2.499 30.280 ( -0.996 0.000 -1.453) 1.761 30.292 ( 1.746 0.000 -0.516) 1.821 30.294 ( 14.354 0.000 -0.582) 14.365 31.068 ( -0.165 0.000 3.102) 3.107 31.332 ( 4.590 0.000 -3.348) 5.681 31.445 ( 2.198 0.000 -7.511) 7.826 31.448 ( 1.350 0.000 -3.878) 4.106 31.612 ( -1.905 0.000 6.855) 7.115 31.848 ( -9.754 0.000 9.426) 13.564 32.053 ( 4.483 0.000 -2.375) 5.073 32.248 ( 10.313 0.000 -6.993) 12.460 32.555 ( -0.869 0.000 4.885) 4.961 32.704 ( -3.386 0.000 7.700) 8.412 33.025 ( 5.505 0.000 -8.608) 10.217 33.167 ( 4.520 0.000 -6.606) 8.004 33.492 ( -5.445 0.000 6.001) 8.104 33.697 ( 16.211 0.000 -2.151) 16.353 33.755 ( -4.407 0.000 8.540) 9.610 34.335 ( 1.001 0.000 -5.743) 5.830 35.613 ( -2.039 0.000 2.620) 3.320 35.672 ( 0.461 0.000 -0.190) 0.498 35.682 ( 0.173 0.000 0.252) 0.305 35.872 ( -0.736 0.000 -0.813) 1.097 35.934 ( 1.486 0.000 -1.734) 2.284 35.937 ( -4.499 0.000 -1.605) 4.777 36.025 ( 10.623 0.000 -2.163) 10.841 36.205 ( -4.036 0.000 -0.183) 4.040 36.259 ( 3.715 0.000 -0.493) 3.748 36.279 ( -2.658 0.000 3.535) 4.423 36.596 ( -1.745 0.000 1.653) 2.404 36.753 ( 1.915 0.000 -1.469) 2.414 37.436 ( -42.689 0.000 4.984) 42.979 37.771 ( 1.968 0.000 -2.980) 3.571 38.363 ( -6.593 0.000 -0.909) 6.655 38.369 ( 1.896 0.000 -1.292) 2.294 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -8.144 0.000 25.248) 26.529 0.892 ( 13.685 0.000 20.861) 24.949 1.094 ( -4.937 0.000 -10.472) 11.577 1.257 ( 3.453 0.000 11.056) 11.583 1.355 ( -0.938 0.000 -0.827) 1.250 1.386 ( 3.757 0.000 2.811) 4.693 1.472 ( -8.527 0.000 0.844) 8.568 1.588 ( -4.739 0.000 0.524) 4.768 1.676 ( 5.711 0.000 18.413) 19.279 1.836 ( -5.314 0.000 -2.992) 6.098 1.938 ( 6.241 0.000 0.156) 6.243 2.033 ( 0.926 0.000 -13.217) 13.249 2.149 ( 0.609 0.000 0.750) 0.966 2.158 ( 4.790 0.000 1.629) 5.060 2.191 ( -5.795 0.000 3.592) 6.818 2.207 ( 0.471 0.000 5.950) 5.968 2.336 ( -10.818 0.000 -11.010) 15.435 2.393 ( -3.766 0.000 -0.097) 3.767 2.406 ( -10.038 0.000 2.206) 10.278 2.559 ( -4.707 0.000 -1.411) 4.914 2.728 ( -2.135 0.000 -6.939) 7.260 2.865 ( 4.572 0.000 -8.047) 9.255 2.972 ( 5.518 0.000 -15.568) 16.517 3.114 ( 0.952 0.000 -6.616) 6.684 3.187 ( -6.438 0.000 3.737) 7.444 3.282 ( 1.896 0.000 2.456) 3.103 3.313 ( -6.904 0.000 -3.826) 7.894 3.484 ( 1.591 0.000 -4.785) 5.043 3.564 ( 5.259 0.000 1.311) 5.420 3.605 ( -3.254 0.000 -6.500) 7.269 3.643 ( 6.453 0.000 -1.836) 6.709 3.728 ( -1.703 0.000 1.786) 2.468 3.811 ( -0.705 0.000 -0.481) 0.853 4.000 ( -1.488 0.000 -2.216) 2.669 4.013 ( -8.485 0.000 7.944) 11.623 4.078 ( -3.614 0.000 2.140) 4.201 4.217 ( -7.595 0.000 2.834) 8.107 4.241 ( -2.419 0.000 -6.740) 7.161 4.450 ( -2.749 0.000 -0.771) 2.855 4.509 ( 2.737 0.000 -0.649) 2.813 4.556 ( -2.910 0.000 -0.780) 3.012 4.718 ( 4.667 0.000 0.245) 4.673 4.739 ( 0.089 0.000 3.270) 3.271 4.763 ( 2.343 0.000 0.414) 2.379 4.859 ( 10.881 0.000 -4.386) 11.732 4.969 ( -10.712 0.000 -1.098) 10.768 5.010 ( -1.839 0.000 2.553) 3.147 5.055 ( -3.923 0.000 -3.481) 5.245 5.132 ( 1.093 0.000 -2.505) 2.733 5.163 ( -2.026 0.000 3.279) 3.855 5.226 ( 3.081 0.000 0.676) 3.154 5.283 ( 4.430 0.000 0.978) 4.537 5.359 ( 2.375 0.000 -2.432) 3.400 5.506 ( 3.522 0.000 1.549) 3.848 5.607 ( 7.030 0.000 -1.859) 7.272 5.609 ( 5.298 0.000 4.889) 7.209 5.740 ( 2.909 0.000 1.880) 3.464 5.818 ( 1.009 0.000 -1.960) 2.205 5.819 ( 2.300 0.000 -0.612) 2.380 5.835 ( -10.324 0.000 7.245) 12.613 6.047 ( -0.906 0.000 -3.996) 4.098 6.157 ( -1.707 0.000 -0.447) 1.764 6.232 ( -2.028 0.000 1.888) 2.771 6.368 ( -0.749 0.000 1.157) 1.379 6.375 ( 2.674 0.000 -0.097) 2.675 6.458 ( -8.046 0.000 4.622) 9.279 6.481 ( -1.887 0.000 -1.690) 2.533 6.730 ( 1.251 0.000 -2.376) 2.685 6.895 ( 5.098 0.000 8.377) 9.806 6.953 ( -3.018 0.000 -0.583) 3.074 7.141 ( -2.955 0.000 -9.427) 9.879 7.254 ( 7.202 0.000 -3.271) 7.910 7.405 ( 0.847 0.000 1.086) 1.377 7.447 ( 3.267 0.000 1.942) 3.800 7.586 ( -1.908 0.000 3.674) 4.140 7.621 ( -1.552 0.000 -1.068) 1.884 7.802 ( -1.921 0.000 2.517) 3.166 7.979 ( 4.196 0.000 -4.328) 6.028 8.145 ( 0.515 0.000 0.196) 0.551 8.153 ( 1.724 0.000 -0.199) 1.736 8.457 ( -3.432 0.000 -1.828) 3.889 8.459 ( -0.871 0.000 0.738) 1.142 8.578 ( 0.942 0.000 0.684) 1.164 8.579 ( 4.748 0.000 0.054) 4.748 8.659 ( 0.828 0.000 0.671) 1.066 8.685 ( -0.833 0.000 -2.690) 2.816 8.768 ( 4.943 0.000 0.757) 5.001 8.853 ( 2.322 0.000 -0.572) 2.391 9.094 ( 1.391 0.000 -0.238) 1.411 9.099 ( -0.975 0.000 -0.683) 1.190 9.323 ( -0.984 0.000 1.127) 1.496 9.352 ( -0.294 0.000 2.919) 2.934 9.490 ( 0.990 0.000 -1.118) 1.493 9.699 ( 3.961 0.000 -4.896) 6.298 9.970 ( -1.722 0.000 4.819) 5.117 9.994 ( -2.770 0.000 3.134) 4.183 10.299 ( -0.159 0.000 1.075) 1.087 10.391 ( 2.606 0.000 -3.222) 4.144 10.464 ( -5.372 0.000 3.711) 6.529 10.735 ( -1.773 0.000 -2.137) 2.777 11.147 ( 0.435 0.000 0.556) 0.706 11.279 ( -1.758 0.000 -1.069) 2.058 11.327 ( 1.041 0.000 -1.388) 1.735 11.330 ( 2.820 0.000 -3.056) 4.158 11.469 ( -1.041 0.000 0.731) 1.272 11.528 ( 0.494 0.000 1.357) 1.444 11.579 ( -1.314 0.000 -1.178) 1.765 11.626 ( 4.057 0.000 -1.013) 4.182 11.807 ( -4.030 0.000 1.821) 4.423 11.920 ( -0.026 0.000 3.271) 3.271 12.056 ( -0.030 0.000 -2.692) 2.692 12.081 ( 0.937 0.000 -0.065) 0.939 12.266 ( 0.781 0.000 2.753) 2.861 12.455 ( 1.834 0.000 -1.662) 2.475 12.596 ( -1.570 0.000 3.722) 4.039 12.672 ( 1.179 0.000 1.524) 1.927 13.028 ( -1.798 0.000 5.978) 6.242 13.114 ( -0.382 0.000 1.244) 1.301 13.218 ( -9.039 0.000 7.535) 11.768 13.302 ( 0.764 0.000 0.667) 1.014 13.386 ( 2.100 0.000 -3.505) 4.085 13.586 ( -2.443 0.000 1.275) 2.756 13.716 ( 4.218 0.000 -10.037) 10.887 13.951 ( 7.014 0.000 -0.480) 7.031 14.137 ( 0.214 0.000 2.447) 2.456 14.166 ( -1.140 0.000 8.141) 8.221 14.241 ( -4.856 0.000 1.050) 4.968 14.416 ( 3.561 0.000 -2.423) 4.307 14.437 ( 1.651 0.000 1.545) 2.261 14.602 ( 4.126 0.000 -6.978) 8.106 14.777 ( -1.942 0.000 3.454) 3.963 14.823 ( -2.658 0.000 7.676) 8.123 14.981 ( -2.328 0.000 1.133) 2.589 15.290 ( -4.011 0.000 -0.980) 4.129 15.303 ( 4.665 0.000 -4.734) 6.646 15.340 ( 1.291 0.000 -4.459) 4.642 15.471 ( 2.726 0.000 4.030) 4.866 15.573 ( 4.598 0.000 2.519) 5.243 15.630 ( -3.743 0.000 -6.315) 7.341 15.704 ( 1.788 0.000 -5.228) 5.526 15.962 ( -3.705 0.000 4.077) 5.509 16.137 ( -8.456 0.000 5.655) 10.172 16.176 ( 0.285 0.000 -3.960) 3.971 16.326 ( -3.825 0.000 3.809) 5.398 16.494 ( 1.506 0.000 -0.702) 1.662 16.655 ( -6.475 0.000 1.085) 6.565 16.803 ( 4.876 0.000 -5.210) 7.135 16.990 ( 1.182 0.000 -4.025) 4.195 17.442 ( -0.612 0.000 0.083) 0.618 17.479 ( 1.140 0.000 0.204) 1.158 17.513 ( 0.112 0.000 1.939) 1.943 17.567 ( -0.955 0.000 -0.791) 1.240 20.449 ( 0.836 0.000 2.126) 2.285 20.566 ( 2.466 0.000 -4.533) 5.161 20.586 ( -3.298 0.000 -0.515) 3.338 20.768 ( -0.108 0.000 -0.906) 0.912 20.820 ( -0.811 0.000 0.425) 0.915 20.820 ( 5.030 0.000 -0.628) 5.069 20.874 ( -1.744 0.000 3.327) 3.757 21.092 ( 1.471 0.000 -3.257) 3.574 21.243 ( -2.110 0.000 3.827) 4.370 21.353 ( -2.883 0.000 3.746) 4.727 21.470 ( 2.346 0.000 -2.646) 3.536 21.615 ( 1.837 0.000 -4.761) 5.103 22.777 ( -6.417 0.000 4.157) 7.646 23.108 ( -0.600 0.000 2.711) 2.777 23.198 ( 3.706 0.000 -2.368) 4.398 23.319 ( 4.087 0.000 -4.445) 6.039 24.816 ( -6.495 0.000 8.558) 10.744 24.996 ( -21.846 0.000 15.213) 26.621 25.692 ( 12.785 0.000 -19.750) 23.526 26.207 ( 16.873 0.000 -9.449) 19.338 26.727 ( -19.854 0.000 21.924) 29.578 26.931 ( -4.160 0.000 17.575) 18.060 27.713 ( 6.636 0.000 -9.490) 11.580 28.079 ( 12.296 0.000 -15.712) 19.951 29.072 ( 0.004 0.000 4.039) 4.039 29.305 ( 2.214 0.000 -0.016) 2.214 29.704 ( -5.177 0.000 -3.116) 6.043 29.857 ( -2.531 0.000 -0.293) 2.548 30.128 ( -0.382 0.000 3.328) 3.350 30.247 ( -0.849 0.000 -1.649) 1.855 30.299 ( 0.521 0.000 -1.221) 1.328 30.343 ( -2.646 0.000 -5.245) 5.874 31.131 ( 2.153 0.000 3.811) 4.377 31.320 ( -7.856 0.000 -3.063) 8.432 31.375 ( 3.907 0.000 -2.422) 4.597 31.394 ( 1.864 0.000 -6.985) 7.229 31.659 ( -1.838 0.000 7.122) 7.355 31.766 ( -10.150 0.000 6.477) 12.040 32.085 ( 5.059 0.000 -6.082) 7.912 32.284 ( 0.858 0.000 0.170) 0.875 32.602 ( 0.478 0.000 3.967) 3.996 32.642 ( -9.574 0.000 9.184) 13.267 33.021 ( 6.450 0.000 -9.997) 11.897 33.181 ( 4.022 0.000 -3.732) 5.487 33.446 ( -4.100 0.000 0.311) 4.112 33.780 ( -6.586 0.000 12.141) 13.812 33.890 ( 10.513 0.000 -5.226) 11.740 34.252 ( -2.091 0.000 -7.468) 7.755 35.594 ( -2.682 0.000 2.039) 3.369 35.677 ( -0.080 0.000 0.288) 0.299 35.692 ( -0.355 0.000 0.865) 0.935 35.850 ( -0.987 0.000 -0.021) 0.987 35.906 ( 1.576 0.000 -3.662) 3.986 35.943 ( 1.629 0.000 -1.358) 2.121 36.098 ( -0.825 0.000 1.586) 1.788 36.137 ( -2.177 0.000 -1.430) 2.605 36.339 ( 5.622 0.000 0.617) 5.655 36.345 ( 9.846 0.000 -4.069) 10.654 36.563 ( -2.828 0.000 0.945) 2.981 36.748 ( -1.143 0.000 -1.527) 1.908 37.281 ( -1.154 0.000 13.203) 13.253 37.825 ( 6.812 0.000 -1.023) 6.889 38.254 ( -7.246 0.000 -0.200) 7.249 38.381 ( 0.525 0.000 -0.202) 0.563 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -11.320 0.000 16.935) 20.370 1.082 ( 2.011 0.000 5.828) 6.165 1.247 ( 7.227 0.000 3.735) 8.135 1.340 ( 2.141 0.000 2.526) 3.312 1.389 ( 2.121 0.000 5.298) 5.707 1.413 ( -2.861 0.000 4.545) 5.371 1.473 ( 3.970 0.000 3.990) 5.629 1.556 ( -1.646 0.000 4.714) 4.993 1.659 ( -10.097 0.000 -3.032) 10.543 1.874 ( -8.519 0.000 3.321) 9.143 1.929 ( 2.546 0.000 -7.198) 7.635 2.024 ( -2.538 0.000 -3.871) 4.629 2.028 ( -6.494 0.000 4.803) 8.077 2.103 ( -0.935 0.000 6.408) 6.476 2.244 ( 2.376 0.000 0.431) 2.415 2.246 ( 5.173 0.000 5.128) 7.284 2.305 ( 2.067 0.000 3.613) 4.162 2.393 ( 2.153 0.000 2.817) 3.546 2.410 ( 1.074 0.000 2.111) 2.368 2.466 ( -3.718 0.000 -0.808) 3.804 2.624 ( -3.287 0.000 -4.508) 5.579 2.864 ( 5.911 0.000 -9.621) 11.292 2.889 ( -5.245 0.000 -1.492) 5.453 3.026 ( -4.797 0.000 -4.477) 6.561 3.153 ( -1.746 0.000 -3.766) 4.151 3.157 ( -0.035 0.000 0.379) 0.381 3.305 ( 1.989 0.000 2.176) 2.948 3.385 ( -0.669 0.000 -7.698) 7.727 3.519 ( -1.575 0.000 0.405) 1.626 3.665 ( 1.837 0.000 2.641) 3.217 3.716 ( 1.509 0.000 2.138) 2.617 3.739 ( 1.116 0.000 -0.554) 1.245 3.781 ( -3.062 0.000 -0.320) 3.079 3.922 ( -7.057 0.000 -8.901) 11.358 3.962 ( -7.346 0.000 6.227) 9.630 3.991 ( 2.243 0.000 -2.300) 3.213 4.186 ( 4.996 0.000 -8.000) 9.432 4.216 ( -2.043 0.000 6.877) 7.174 4.336 ( -4.277 0.000 -3.585) 5.580 4.490 ( 0.956 0.000 -8.091) 8.148 4.525 ( -0.424 0.000 0.747) 0.859 4.715 ( -9.303 0.000 1.679) 9.454 4.799 ( -0.609 0.000 5.296) 5.331 4.803 ( -2.897 0.000 -1.952) 3.493 4.814 ( 3.106 0.000 3.370) 4.583 4.957 ( -3.994 0.000 -2.184) 4.552 5.008 ( -1.068 0.000 1.477) 1.823 5.040 ( 10.315 0.000 0.699) 10.339 5.156 ( 1.638 0.000 0.622) 1.752 5.185 ( 0.138 0.000 1.568) 1.575 5.219 ( -0.358 0.000 -0.855) 0.927 5.331 ( 3.290 0.000 -2.448) 4.101 5.416 ( 3.404 0.000 2.053) 3.976 5.600 ( 4.316 0.000 3.327) 5.449 5.663 ( -1.112 0.000 -0.177) 1.126 5.714 ( -0.723 0.000 4.772) 4.826 5.776 ( -1.598 0.000 3.079) 3.469 5.794 ( 0.031 0.000 3.819) 3.819 5.834 ( 2.737 0.000 -2.825) 3.933 5.892 ( 9.607 0.000 -4.145) 10.463 5.966 ( -0.174 0.000 -6.648) 6.651 6.107 ( -1.253 0.000 -2.247) 2.572 6.214 ( -2.771 0.000 2.045) 3.444 6.369 ( -4.298 0.000 4.731) 6.392 6.388 ( -4.938 0.000 3.952) 6.324 6.398 ( -4.547 0.000 -0.666) 4.595 6.439 ( 3.191 0.000 -0.145) 3.194 6.662 ( -5.080 0.000 -0.716) 5.130 6.977 ( 4.120 0.000 -1.636) 4.433 6.993 ( -2.018 0.000 -7.750) 8.008 7.068 ( 2.722 0.000 9.480) 9.863 7.324 ( 6.300 0.000 -3.852) 7.385 7.417 ( 1.585 0.000 -2.990) 3.385 7.518 ( 2.075 0.000 2.439) 3.203 7.579 ( -2.079 0.000 -1.302) 2.453 7.583 ( -3.147 0.000 3.499) 4.706 7.789 ( -0.775 0.000 -0.928) 1.210 8.028 ( 4.098 0.000 0.030) 4.098 8.169 ( 1.672 0.000 -0.838) 1.871 8.175 ( -0.253 0.000 2.328) 2.341 8.387 ( -2.447 0.000 -1.095) 2.681 8.478 ( 2.740 0.000 -0.579) 2.801 8.568 ( -2.334 0.000 -0.849) 2.483 8.576 ( -2.110 0.000 2.487) 3.261 8.709 ( 4.632 0.000 -1.102) 4.761 8.739 ( 6.624 0.000 -1.314) 6.753 8.814 ( 0.572 0.000 -0.652) 0.868 8.867 ( -0.343 0.000 -0.633) 0.720 9.075 ( -1.300 0.000 0.213) 1.317 9.116 ( 1.641 0.000 -0.659) 1.768 9.309 ( -1.432 0.000 0.023) 1.432 9.361 ( -0.950 0.000 0.341) 1.010 9.523 ( 2.441 0.000 1.521) 2.876 9.733 ( 5.624 0.000 -2.972) 6.361 9.957 ( -3.693 0.000 1.131) 3.863 9.959 ( -4.379 0.000 1.333) 4.577 10.290 ( -1.415 0.000 -0.831) 1.641 10.421 ( 4.966 0.000 -2.825) 5.713 10.433 ( -4.266 0.000 6.341) 7.643 10.670 ( -3.266 0.000 -1.275) 3.506 11.175 ( 1.653 0.000 1.056) 1.961 11.232 ( -1.855 0.000 -0.474) 1.915 11.324 ( 0.237 0.000 -1.211) 1.234 11.361 ( 2.848 0.000 -1.478) 3.209 11.467 ( -0.207 0.000 0.770) 0.797 11.551 ( 0.173 0.000 1.822) 1.830 11.555 ( -0.365 0.000 -1.054) 1.116 11.671 ( 3.066 0.000 -1.758) 3.535 11.771 ( -2.328 0.000 1.426) 2.730 11.938 ( -1.131 0.000 2.040) 2.333 12.016 ( -0.611 0.000 -3.520) 3.573 12.085 ( -1.146 0.000 1.657) 2.014 12.321 ( 3.244 0.000 0.132) 3.246 12.470 ( 1.502 0.000 -0.955) 1.779 12.595 ( -2.335 0.000 1.623) 2.843 12.681 ( 0.236 0.000 -2.041) 2.055 13.044 ( -4.099 0.000 6.246) 7.471 13.124 ( -0.466 0.000 1.618) 1.684 13.197 ( -2.361 0.000 2.226) 3.245 13.323 ( 1.244 0.000 -0.054) 1.245 13.408 ( 3.783 0.000 -1.624) 4.117 13.562 ( -2.271 0.000 1.658) 2.812 13.685 ( 4.840 0.000 -9.475) 10.639 14.013 ( -1.417 0.000 4.308) 4.535 14.169 ( -3.334 0.000 -0.645) 3.395 14.218 ( 7.225 0.000 -1.419) 7.363 14.239 ( -1.773 0.000 7.823) 8.021 14.457 ( 3.651 0.000 -1.208) 3.846 14.460 ( -0.563 0.000 1.027) 1.172 14.594 ( 3.769 0.000 -6.705) 7.692 14.767 ( -3.450 0.000 3.068) 4.617 14.869 ( -0.273 0.000 4.283) 4.292 14.944 ( -5.855 0.000 5.095) 7.761 15.233 ( -2.592 0.000 1.113) 2.821 15.310 ( 3.619 0.000 -6.648) 7.569 15.349 ( 3.696 0.000 -0.672) 3.757 15.497 ( 2.023 0.000 -6.102) 6.428 15.518 ( -0.570 0.000 -7.141) 7.164 15.668 ( 0.554 0.000 -3.635) 3.677 15.703 ( 2.488 0.000 6.983) 7.413 15.944 ( -2.940 0.000 1.579) 3.338 16.081 ( -7.756 0.000 9.577) 12.324 16.095 ( -3.898 0.000 -2.409) 4.582 16.343 ( 1.986 0.000 -0.688) 2.102 16.519 ( 0.352 0.000 2.627) 2.650 16.550 ( -6.184 0.000 1.030) 6.270 16.835 ( 5.742 0.000 -5.172) 7.728 16.957 ( -0.255 0.000 -3.105) 3.115 17.432 ( -0.242 0.000 -0.379) 0.450 17.499 ( 0.841 0.000 -0.125) 0.851 17.524 ( -1.266 0.000 2.026) 2.389 17.541 ( -0.505 0.000 -0.984) 1.106 20.479 ( -1.099 0.000 1.841) 2.144 20.538 ( -0.417 0.000 -0.354) 0.547 20.564 ( 2.913 0.000 -3.847) 4.825 20.756 ( -0.076 0.000 -0.722) 0.726 20.804 ( -1.419 0.000 0.211) 1.435 20.852 ( -1.120 0.000 2.124) 2.401 20.896 ( 1.706 0.000 -0.576) 1.801 21.090 ( 2.150 0.000 -2.375) 3.203 21.258 ( -1.943 0.000 4.855) 5.230 21.345 ( -3.114 0.000 3.958) 5.036 21.495 ( 3.413 0.000 -1.877) 3.895 21.590 ( 1.426 0.000 -4.304) 4.534 22.730 ( -5.022 0.000 5.270) 7.280 23.126 ( -0.862 0.000 2.566) 2.707 23.226 ( 2.916 0.000 -3.027) 4.203 23.331 ( 3.279 0.000 -4.093) 5.244 24.800 ( -7.952 0.000 11.180) 13.720 24.911 ( -8.272 0.000 10.319) 13.226 25.706 ( 15.139 0.000 -20.107) 25.170 26.333 ( 6.197 0.000 -5.663) 8.395 26.647 ( -17.031 0.000 21.139) 27.146 27.030 ( -5.125 0.000 12.966) 13.942 27.729 ( 8.245 0.000 -10.157) 13.082 28.073 ( 7.548 0.000 -14.506) 16.353 29.146 ( 5.876 0.000 -0.061) 5.876 29.312 ( 0.177 0.000 -3.642) 3.647 29.595 ( -0.915 0.000 -3.944) 4.049 29.758 ( -10.105 0.000 1.972) 10.296 30.165 ( -0.080 0.000 3.621) 3.622 30.219 ( -0.018 0.000 -2.159) 2.159 30.221 ( -4.823 0.000 -2.479) 5.423 30.297 ( 0.737 0.000 -0.616) 0.960 31.167 ( -5.279 0.000 0.160) 5.281 31.209 ( 0.668 0.000 1.185) 1.361 31.348 ( 2.546 0.000 -6.938) 7.391 31.416 ( 3.052 0.000 -1.711) 3.499 31.651 ( -8.267 0.000 5.351) 9.848 31.729 ( -1.803 0.000 7.020) 7.248 32.086 ( 5.063 0.000 -8.907) 10.246 32.297 ( -0.147 0.000 0.649) 0.666 32.607 ( -7.205 0.000 8.785) 11.361 32.642 ( -0.256 0.000 2.335) 2.348 33.020 ( 6.540 0.000 -9.949) 11.906 33.209 ( 5.255 0.000 -6.059) 8.020 33.389 ( -3.019 0.000 1.505) 3.373 33.794 ( -8.451 0.000 13.062) 15.557 33.992 ( 7.823 0.000 -2.494) 8.211 34.123 ( -2.928 0.000 -7.418) 7.975 35.580 ( -1.824 0.000 2.289) 2.927 35.675 ( -0.659 0.000 0.554) 0.861 35.681 ( -1.546 0.000 0.405) 1.598 35.834 ( -0.552 0.000 -0.594) 0.811 35.892 ( 1.406 0.000 -3.188) 3.484 35.952 ( 1.111 0.000 -1.301) 1.711 36.100 ( -0.902 0.000 2.003) 2.197 36.113 ( 0.139 0.000 -0.256) 0.291 36.437 ( 7.222 0.000 -6.310) 9.590 36.453 ( 7.375 0.000 0.329) 7.382 36.541 ( -1.255 0.000 1.852) 2.237 36.677 ( -4.691 0.000 -2.414) 5.275 37.475 ( 5.307 0.000 13.674) 14.667 37.930 ( 4.663 0.000 0.905) 4.750 38.127 ( -7.743 0.000 0.327) 7.750 38.385 ( -0.327 0.000 0.557) 0.646 ======================= Grid point 52 (20/64) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -6.715 0.000 19.648) 20.764 1.165 ( 2.363 0.000 7.450) 7.816 1.254 ( -1.978 0.000 -5.289) 5.647 1.401 ( -1.407 0.000 4.647) 4.855 1.401 ( -1.852 0.000 5.898) 6.182 1.483 ( -10.065 0.000 1.778) 10.221 1.494 ( -15.207 0.000 1.949) 15.332 1.519 ( -0.119 0.000 -2.442) 2.445 1.594 ( 10.392 0.000 5.065) 11.560 1.703 ( -6.111 0.000 -1.543) 6.303 1.898 ( -2.262 0.000 1.736) 2.852 1.951 ( 4.986 0.000 -3.700) 6.209 2.151 ( 0.389 0.000 7.129) 7.140 2.238 ( 3.876 0.000 9.816) 10.554 2.250 ( 0.692 0.000 -3.852) 3.913 2.316 ( -2.645 0.000 6.977) 7.462 2.339 ( -6.040 0.000 3.248) 6.858 2.395 ( 0.072 0.000 1.853) 1.855 2.439 ( -0.412 0.000 0.231) 0.473 2.490 ( -0.248 0.000 7.969) 7.973 2.553 ( 3.337 0.000 -1.691) 3.741 2.813 ( -0.010 0.000 1.662) 1.662 2.845 ( 5.740 0.000 -6.272) 8.502 2.991 ( 3.709 0.000 -5.240) 6.420 3.158 ( 6.752 0.000 -1.042) 6.832 3.212 ( 4.660 0.000 2.130) 5.124 3.339 ( 1.374 0.000 -2.464) 2.822 3.462 ( 1.821 0.000 7.952) 8.157 3.530 ( 2.971 0.000 2.797) 4.081 3.669 ( -4.091 0.000 -7.541) 8.579 3.673 ( -6.782 0.000 -0.422) 6.795 3.676 ( 1.883 0.000 -14.055) 14.181 3.760 ( 0.523 0.000 5.748) 5.772 3.792 ( 3.262 0.000 -3.919) 5.099 3.913 ( -4.818 0.000 3.665) 6.053 3.961 ( -1.599 0.000 -3.267) 3.637 4.224 ( 10.855 0.000 -8.073) 13.528 4.275 ( -4.506 0.000 4.306) 6.233 4.321 ( 7.335 0.000 4.148) 8.426 4.411 ( 3.263 0.000 -12.804) 13.214 4.516 ( -3.174 0.000 2.693) 4.162 4.645 ( -0.945 0.000 3.844) 3.958 4.766 ( 0.830 0.000 -3.846) 3.935 4.813 ( -3.384 0.000 3.335) 4.751 4.873 ( -0.415 0.000 3.413) 3.438 4.891 ( -0.498 0.000 -2.545) 2.593 5.020 ( -0.288 0.000 3.645) 3.657 5.125 ( -3.992 0.000 -2.378) 4.647 5.151 ( 0.771 0.000 -1.552) 1.733 5.183 ( 3.263 0.000 1.204) 3.478 5.271 ( 1.023 0.000 5.394) 5.490 5.386 ( 3.882 0.000 -0.665) 3.938 5.475 ( 0.547 0.000 1.737) 1.821 5.602 ( -7.514 0.000 4.443) 8.729 5.640 ( -4.600 0.000 1.632) 4.881 5.687 ( -5.781 0.000 2.724) 6.391 5.760 ( -1.723 0.000 -1.990) 2.632 5.804 ( -3.476 0.000 0.215) 3.483 5.869 ( 3.508 0.000 -3.361) 4.858 5.958 ( 9.935 0.000 -5.257) 11.240 5.972 ( 3.362 0.000 -2.021) 3.923 6.112 ( 4.840 0.000 -3.883) 6.205 6.212 ( -1.109 0.000 3.420) 3.595 6.322 ( -1.920 0.000 0.825) 2.090 6.342 ( -7.891 0.000 11.449) 13.905 6.385 ( 0.482 0.000 0.736) 0.879 6.507 ( 4.391 0.000 -1.333) 4.589 6.602 ( -1.223 0.000 1.813) 2.187 6.868 ( -3.255 0.000 -6.263) 7.059 6.992 ( 0.171 0.000 -2.456) 2.462 7.216 ( 2.876 0.000 6.967) 7.537 7.369 ( 3.060 0.000 -4.761) 5.660 7.403 ( 2.907 0.000 -3.484) 4.538 7.540 ( -0.064 0.000 -1.410) 1.411 7.556 ( -0.947 0.000 2.579) 2.748 7.561 ( -4.422 0.000 3.733) 5.787 7.761 ( -0.756 0.000 -1.449) 1.634 8.095 ( 2.000 0.000 2.300) 3.048 8.154 ( -0.062 0.000 -3.601) 3.602 8.198 ( -0.733 0.000 3.074) 3.160 8.362 ( -0.611 0.000 0.699) 0.929 8.490 ( -0.515 0.000 -2.422) 2.476 8.568 ( 2.538 0.000 1.892) 3.166 8.587 ( -0.201 0.000 2.940) 2.947 8.761 ( 2.834 0.000 -2.044) 3.495 8.785 ( -2.308 0.000 -0.263) 2.323 8.791 ( -0.315 0.000 -2.917) 2.934 8.840 ( 0.453 0.000 -0.564) 0.724 9.073 ( 0.282 0.000 1.107) 1.143 9.127 ( 0.695 0.000 -0.981) 1.202 9.285 ( -0.323 0.000 -1.040) 1.089 9.330 ( -1.693 0.000 -1.785) 2.460 9.586 ( 1.051 0.000 4.123) 4.255 9.809 ( 5.267 0.000 -1.203) 5.403 9.887 ( -3.191 0.000 -2.601) 4.116 9.893 ( -3.397 0.000 -0.258) 3.407 10.243 ( -2.845 0.000 -0.186) 2.851 10.462 ( -1.330 0.000 6.299) 6.438 10.469 ( 3.027 0.000 -2.345) 3.829 10.629 ( 0.434 0.000 -0.320) 0.539 11.213 ( 0.266 0.000 2.530) 2.544 11.218 ( 0.191 0.000 0.234) 0.302 11.312 ( 0.649 0.000 -1.941) 2.047 11.376 ( 0.994 0.000 -1.505) 1.804 11.479 ( 0.208 0.000 1.250) 1.267 11.531 ( -0.839 0.000 -2.235) 2.387 11.570 ( -0.760 0.000 2.531) 2.642 11.688 ( 1.434 0.000 -1.831) 2.326 11.761 ( -0.719 0.000 1.085) 1.302 11.934 ( -1.932 0.000 1.998) 2.779 11.967 ( 0.286 0.000 -4.386) 4.395 12.089 ( -0.702 0.000 1.977) 2.098 12.361 ( 1.676 0.000 -0.320) 1.706 12.482 ( 0.925 0.000 -0.150) 0.937 12.550 ( -3.727 0.000 -0.698) 3.791 12.637 ( -0.515 0.000 -5.396) 5.420 13.049 ( -3.916 0.000 7.657) 8.600 13.132 ( -0.829 0.000 1.832) 2.011 13.160 ( -3.128 0.000 -0.269) 3.140 13.331 ( -0.403 0.000 -0.205) 0.452 13.447 ( 2.997 0.000 -3.124) 4.329 13.562 ( -1.538 0.000 5.104) 5.330 13.672 ( 6.262 0.000 -9.494) 11.373 14.013 ( -3.472 0.000 2.795) 4.457 14.110 ( -2.959 0.000 -0.520) 3.004 14.284 ( -2.148 0.000 6.396) 6.747 14.292 ( 5.029 0.000 -3.904) 6.366 14.444 ( -4.318 0.000 3.162) 5.352 14.497 ( 0.649 0.000 1.214) 1.376 14.572 ( 3.351 0.000 -7.535) 8.246 14.741 ( -1.442 0.000 0.637) 1.576 14.869 ( -3.369 0.000 1.239) 3.589 14.930 ( -3.287 0.000 5.873) 6.730 15.234 ( 0.107 0.000 2.848) 2.850 15.313 ( 3.011 0.000 -3.128) 4.341 15.407 ( 4.376 0.000 -1.492) 4.623 15.414 ( -0.954 0.000 -9.652) 9.699 15.460 ( 3.669 0.000 -8.629) 9.377 15.671 ( 2.548 0.000 0.246) 2.560 15.754 ( -2.773 0.000 3.112) 4.168 15.902 ( -3.359 0.000 1.188) 3.563 16.059 ( 2.495 0.000 -1.306) 2.816 16.085 ( -4.943 0.000 9.133) 10.385 16.336 ( -0.157 0.000 -2.464) 2.469 16.508 ( -1.884 0.000 3.141) 3.663 16.578 ( 1.249 0.000 5.205) 5.353 16.875 ( 5.395 0.000 -4.909) 7.294 16.917 ( 0.028 0.000 -3.556) 3.556 17.428 ( -0.013 0.000 -0.189) 0.189 17.491 ( -0.254 0.000 -1.504) 1.525 17.519 ( -1.414 0.000 1.320) 1.934 17.544 ( 0.892 0.000 0.266) 0.931 20.456 ( -1.530 0.000 -0.109) 1.534 20.568 ( 1.076 0.000 2.758) 2.960 20.577 ( 3.229 0.000 -3.233) 4.570 20.748 ( 0.334 0.000 -1.455) 1.493 20.784 ( -0.579 0.000 -0.509) 0.771 20.849 ( -1.250 0.000 0.871) 1.524 20.904 ( 0.002 0.000 -0.174) 0.175 21.111 ( 2.386 0.000 -0.986) 2.582 21.282 ( -2.832 0.000 6.835) 7.398 21.341 ( -2.340 0.000 3.621) 4.311 21.514 ( 0.795 0.000 -1.975) 2.129 21.590 ( 3.608 0.000 -2.874) 4.613 22.734 ( -2.638 0.000 6.941) 7.426 23.131 ( -1.830 0.000 2.399) 3.017 23.220 ( 1.464 0.000 -4.655) 4.879 23.343 ( 3.086 0.000 -3.423) 4.609 24.809 ( -6.830 0.000 12.509) 14.252 24.913 ( -6.193 0.000 12.551) 13.996 25.748 ( 16.755 0.000 -20.566) 26.527 26.241 ( -5.151 0.000 -10.327) 11.541 26.658 ( -10.637 0.000 20.632) 23.213 27.023 ( -10.115 0.000 9.655) 13.983 27.754 ( 7.626 0.000 -9.762) 12.387 28.033 ( 8.154 0.000 -15.583) 17.587 29.233 ( 6.628 0.000 -4.597) 8.067 29.257 ( 1.542 0.000 -6.483) 6.664 29.590 ( -11.678 0.000 1.094) 11.729 29.616 ( 4.403 0.000 0.682) 4.455 30.133 ( -2.677 0.000 -0.584) 2.740 30.206 ( 1.276 0.000 -1.954) 2.334 30.221 ( 1.245 0.000 2.120) 2.459 30.310 ( 1.003 0.000 -0.048) 1.004 31.084 ( -2.840 0.000 -1.513) 3.218 31.246 ( 0.115 0.000 2.697) 2.699 31.322 ( 2.982 0.000 -6.557) 7.203 31.441 ( 3.709 0.000 -3.610) 5.176 31.588 ( -5.931 0.000 5.113) 7.830 31.787 ( -2.591 0.000 9.608) 9.951 32.063 ( 4.539 0.000 -9.761) 10.765 32.283 ( -0.860 0.000 -1.936) 2.118 32.581 ( -6.822 0.000 7.548) 10.174 32.638 ( -2.628 0.000 1.432) 2.993 33.019 ( 5.477 0.000 -8.307) 9.950 33.206 ( 7.298 0.000 -12.871) 14.796 33.401 ( -2.874 0.000 8.884) 9.337 33.785 ( -8.752 0.000 11.335) 14.321 33.975 ( -1.518 0.000 -8.207) 8.346 34.135 ( 8.075 0.000 -0.292) 8.080 35.578 ( -1.815 0.000 2.479) 3.072 35.670 ( 0.138 0.000 0.218) 0.258 35.671 ( -0.392 0.000 0.505) 0.639 35.825 ( 0.705 0.000 -1.321) 1.497 35.883 ( 1.110 0.000 -2.100) 2.375 35.951 ( 0.705 0.000 -1.607) 1.755 36.110 ( -0.596 0.000 2.076) 2.160 36.124 ( 0.420 0.000 1.022) 1.104 36.436 ( 1.916 0.000 -6.483) 6.760 36.514 ( -2.773 0.000 -3.515) 4.477 36.560 ( 0.259 0.000 1.746) 1.765 36.616 ( 3.773 0.000 0.199) 3.778 37.713 ( -0.102 0.000 20.859) 20.859 37.969 ( -1.021 0.000 0.627) 1.198 38.045 ( -0.840 0.000 -0.295) 0.890 38.376 ( -0.883 0.000 -0.587) 1.060 ======================= Grid point 53 (21/64) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -21.516 0.000 15.487) 26.510 0.929 ( -23.485 0.000 -14.090) 27.388 1.230 ( -29.532 0.000 11.521) 31.700 1.329 ( 2.768 0.000 4.034) 4.893 1.344 ( -1.468 0.000 -3.670) 3.952 1.393 ( -3.260 0.000 3.925) 5.102 1.512 ( 2.194 0.000 -0.687) 2.300 1.542 ( 8.148 0.000 12.458) 14.886 1.637 ( 0.325 0.000 0.420) 0.531 1.785 ( 9.998 0.000 -1.167) 10.066 1.957 ( 1.807 0.000 -4.454) 4.807 2.002 ( 6.120 0.000 3.767) 7.187 2.093 ( -6.166 0.000 2.446) 6.633 2.197 ( 1.141 0.000 -6.090) 6.196 2.242 ( -6.457 0.000 1.629) 6.660 2.382 ( -1.863 0.000 8.100) 8.312 2.386 ( -7.314 0.000 9.300) 11.831 2.464 ( 5.453 0.000 5.314) 7.614 2.472 ( 4.017 0.000 6.095) 7.300 2.582 ( -0.942 0.000 12.409) 12.445 2.747 ( 11.134 0.000 4.992) 12.202 2.880 ( 2.672 0.000 -8.286) 8.706 2.932 ( 9.993 0.000 2.015) 10.195 2.974 ( 8.975 0.000 -8.041) 12.050 3.223 ( -1.977 0.000 -6.017) 6.333 3.325 ( 2.020 0.000 -2.575) 3.272 3.364 ( 10.489 0.000 -3.260) 10.984 3.486 ( 3.635 0.000 -4.562) 5.834 3.494 ( -2.956 0.000 -2.410) 3.814 3.526 ( -3.049 0.000 -5.969) 6.702 3.579 ( -1.006 0.000 1.304) 1.647 3.741 ( 9.571 0.000 -3.559) 10.211 3.834 ( 3.586 0.000 0.139) 3.589 3.859 ( 3.917 0.000 8.144) 9.037 3.890 ( -1.880 0.000 2.055) 2.785 3.926 ( 2.379 0.000 -3.702) 4.400 4.212 ( -3.477 0.000 -7.029) 7.842 4.314 ( -3.002 0.000 1.724) 3.462 4.319 ( 9.180 0.000 -8.790) 12.709 4.516 ( -0.186 0.000 3.138) 3.143 4.538 ( 8.815 0.000 5.126) 10.197 4.718 ( 4.930 0.000 -1.401) 5.125 4.757 ( 3.614 0.000 -1.931) 4.097 4.768 ( -4.376 0.000 0.778) 4.445 4.873 ( -2.306 0.000 0.718) 2.416 4.892 ( 2.717 0.000 -0.079) 2.719 5.021 ( -3.719 0.000 -1.529) 4.021 5.086 ( 3.269 0.000 2.548) 4.145 5.165 ( 1.404 0.000 -0.077) 1.407 5.220 ( -0.094 0.000 0.334) 0.347 5.317 ( -4.558 0.000 7.357) 8.655 5.383 ( -3.712 0.000 0.758) 3.789 5.459 ( -11.734 0.000 -0.977) 11.775 5.481 ( 0.909 0.000 -0.178) 0.926 5.569 ( -9.552 0.000 -1.322) 9.643 5.581 ( -1.892 0.000 -0.965) 2.124 5.741 ( -0.835 0.000 3.234) 3.340 5.752 ( -1.107 0.000 -1.329) 1.730 5.887 ( 0.618 0.000 2.014) 2.107 5.927 ( -6.388 0.000 -1.570) 6.578 6.088 ( 8.973 0.000 -4.928) 10.237 6.121 ( 2.537 0.000 -4.903) 5.520 6.231 ( -0.831 0.000 3.508) 3.605 6.361 ( -4.751 0.000 9.773) 10.867 6.394 ( 9.279 0.000 -1.164) 9.352 6.420 ( 0.417 0.000 4.679) 4.697 6.489 ( -2.944 0.000 -2.320) 3.748 6.714 ( 8.694 0.000 3.889) 9.525 6.761 ( -2.489 0.000 -4.897) 5.493 6.949 ( -2.254 0.000 -0.830) 2.402 7.289 ( 1.208 0.000 1.124) 1.650 7.309 ( -1.082 0.000 -6.782) 6.868 7.447 ( 3.426 0.000 -0.212) 3.432 7.512 ( -6.802 0.000 4.193) 7.990 7.525 ( 1.783 0.000 -6.559) 6.797 7.576 ( -1.633 0.000 6.840) 7.032 7.749 ( -1.055 0.000 2.678) 2.879 8.091 ( 1.014 0.000 -5.995) 6.080 8.157 ( -1.078 0.000 4.757) 4.877 8.203 ( -1.447 0.000 0.458) 1.517 8.383 ( 2.635 0.000 0.388) 2.664 8.444 ( -1.598 0.000 -1.652) 2.299 8.613 ( 0.076 0.000 1.114) 1.116 8.637 ( 0.650 0.000 1.714) 1.834 8.713 ( -2.034 0.000 -1.722) 2.665 8.731 ( -1.962 0.000 -0.628) 2.060 8.779 ( -0.431 0.000 0.591) 0.732 8.848 ( 0.671 0.000 -1.526) 1.667 9.103 ( 1.424 0.000 1.179) 1.849 9.118 ( -0.279 0.000 -1.290) 1.320 9.282 ( -1.116 0.000 -1.869) 2.177 9.286 ( 1.129 0.000 -0.210) 1.149 9.624 ( -3.031 0.000 4.610) 5.517 9.797 ( -1.583 0.000 -3.228) 3.595 9.826 ( 0.255 0.000 -2.781) 2.792 9.917 ( 3.102 0.000 1.485) 3.439 10.214 ( -1.097 0.000 1.293) 1.695 10.459 ( -0.679 0.000 -1.767) 1.893 10.505 ( -0.944 0.000 4.450) 4.549 10.678 ( 5.014 0.000 -1.000) 5.113 11.229 ( -1.736 0.000 2.943) 3.416 11.237 ( 1.829 0.000 -0.351) 1.862 11.314 ( 2.003 0.000 -1.507) 2.507 11.371 ( 0.793 0.000 -1.490) 1.688 11.476 ( -1.803 0.000 -3.395) 3.844 11.493 ( -0.356 0.000 1.396) 1.440 11.574 ( -2.294 0.000 2.246) 3.211 11.673 ( -1.181 0.000 -1.545) 1.945 11.769 ( 0.473 0.000 1.008) 1.113 11.921 ( -3.012 0.000 3.059) 4.293 11.952 ( 3.629 0.000 -3.499) 5.041 12.104 ( 0.123 0.000 1.296) 1.302 12.366 ( -2.419 0.000 1.958) 3.112 12.478 ( -2.441 0.000 -1.280) 2.756 12.504 ( 0.895 0.000 1.794) 2.005 12.560 ( -0.378 0.000 -6.883) 6.894 13.050 ( -5.448 0.000 3.289) 6.363 13.134 ( -1.324 0.000 1.719) 2.170 13.168 ( -0.493 0.000 14.108) 14.117 13.307 ( -1.839 0.000 -0.161) 1.846 13.435 ( 1.512 0.000 -4.881) 5.110 13.614 ( -1.174 0.000 7.700) 7.789 13.687 ( 8.086 0.000 -9.487) 12.466 13.952 ( -3.573 0.000 -3.024) 4.681 14.067 ( -2.659 0.000 1.405) 3.008 14.307 ( 3.204 0.000 -5.040) 5.972 14.310 ( -1.904 0.000 4.983) 5.335 14.375 ( -9.143 0.000 5.002) 10.421 14.499 ( -3.618 0.000 4.577) 5.834 14.567 ( 4.941 0.000 -5.682) 7.530 14.751 ( 2.981 0.000 -1.487) 3.331 14.823 ( -5.847 0.000 4.936) 7.652 14.939 ( 2.012 0.000 -1.873) 2.749 15.277 ( -0.600 0.000 1.447) 1.566 15.323 ( 0.392 0.000 -0.937) 1.016 15.325 ( 1.366 0.000 -1.918) 2.355 15.439 ( 5.741 0.000 -10.690) 12.134 15.454 ( 5.269 0.000 -4.348) 6.832 15.697 ( -5.577 0.000 -0.394) 5.591 15.744 ( 3.158 0.000 3.335) 4.593 15.868 ( -2.146 0.000 0.479) 2.199 16.092 ( -4.535 0.000 5.830) 7.386 16.109 ( 5.199 0.000 -3.456) 6.243 16.327 ( -0.314 0.000 2.545) 2.564 16.518 ( -0.721 0.000 1.732) 1.876 16.654 ( 0.924 0.000 4.811) 4.899 16.856 ( -0.234 0.000 -4.231) 4.238 16.922 ( 5.368 0.000 -6.164) 8.174 17.422 ( -0.529 0.000 0.075) 0.534 17.473 ( -0.045 0.000 -1.215) 1.216 17.511 ( -0.678 0.000 0.276) 0.732 17.562 ( 0.831 0.000 0.267) 0.873 20.434 ( -1.215 0.000 0.121) 1.221 20.595 ( 3.204 0.000 -3.516) 4.757 20.614 ( 0.238 0.000 3.405) 3.413 20.727 ( 0.383 0.000 -4.141) 4.159 20.782 ( 1.145 0.000 -0.684) 1.334 20.833 ( -0.393 0.000 -0.917) 0.998 20.898 ( -1.737 0.000 1.755) 2.469 21.134 ( 1.364 0.000 -0.978) 1.679 21.314 ( -3.268 0.000 8.358) 8.974 21.347 ( -1.574 0.000 3.391) 3.738 21.496 ( 0.096 0.000 -1.837) 1.840 21.620 ( 3.549 0.000 -3.198) 4.777 22.784 ( -1.403 0.000 7.624) 7.752 23.119 ( -2.706 0.000 2.251) 3.520 23.184 ( 1.290 0.000 -5.547) 5.695 23.349 ( 2.303 0.000 -4.165) 4.759 24.827 ( -5.706 0.000 9.048) 10.697 25.042 ( -4.578 0.000 33.458) 33.770 25.806 ( 17.415 0.000 -20.380) 26.807 26.021 ( -1.173 0.000 -18.015) 18.053 26.705 ( -11.294 0.000 20.891) 23.749 26.944 ( -13.600 0.000 12.951) 18.780 27.757 ( 4.759 0.000 -8.586) 9.817 28.012 ( 12.794 0.000 -20.762) 24.388 29.227 ( -0.327 0.000 -6.566) 6.575 29.236 ( 2.436 0.000 -3.993) 4.678 29.395 ( -8.500 0.000 -10.329) 13.377 29.710 ( 4.205 0.000 2.249) 4.768 30.101 ( -1.247 0.000 0.188) 1.261 30.219 ( 2.464 0.000 -1.246) 2.761 30.242 ( 0.406 0.000 -1.707) 1.755 30.320 ( 0.440 0.000 -0.541) 0.697 31.046 ( -1.142 0.000 0.647) 1.313 31.271 ( -0.283 0.000 2.401) 2.417 31.304 ( 3.631 0.000 -6.534) 7.475 31.464 ( 5.125 0.000 -5.751) 7.703 31.566 ( -4.703 0.000 6.716) 8.199 31.844 ( -4.612 0.000 11.438) 12.332 32.029 ( 3.943 0.000 -9.029) 9.853 32.227 ( -1.376 0.000 -4.651) 4.850 32.551 ( -5.994 0.000 6.608) 8.921 32.600 ( -4.496 0.000 3.091) 5.456 33.021 ( 4.848 0.000 -6.992) 8.508 33.186 ( 7.592 0.000 -13.049) 15.096 33.457 ( -4.295 0.000 11.318) 12.106 33.760 ( -6.835 0.000 8.112) 10.608 33.866 ( -0.438 0.000 -9.297) 9.308 34.261 ( 7.508 0.000 -1.184) 7.600 35.579 ( -1.045 0.000 2.442) 2.656 35.671 ( -0.039 0.000 0.050) 0.063 35.684 ( 0.674 0.000 0.430) 0.799 35.829 ( 2.196 0.000 -1.898) 2.903 35.889 ( 1.221 0.000 -0.361) 1.273 35.943 ( 0.690 0.000 -1.958) 2.076 36.121 ( -0.902 0.000 1.854) 2.062 36.147 ( 0.707 0.000 1.650) 1.795 36.376 ( -1.508 0.000 -5.116) 5.333 36.399 ( -5.078 0.000 -2.773) 5.786 36.574 ( 0.079 0.000 0.593) 0.598 36.695 ( 4.569 0.000 -1.223) 4.730 37.901 ( -6.913 0.000 25.992) 26.895 37.917 ( -5.083 0.000 -0.451) 5.103 38.132 ( 9.255 0.000 3.268) 9.815 38.353 ( 0.855 0.000 -2.773) 2.902 ======================= Grid point 54 (22/64) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( -24.880 0.000 -2.240) 24.981 0.646 ( -25.311 0.000 23.769) 34.722 0.876 ( -35.373 0.000 30.048) 46.413 1.319 ( 0.603 0.000 -1.666) 1.772 1.360 ( -0.041 0.000 -0.851) 0.852 1.404 ( -0.026 0.000 0.958) 0.959 1.537 ( 2.794 0.000 -3.131) 4.197 1.688 ( 4.155 0.000 1.263) 4.343 1.770 ( 4.228 0.000 6.866) 8.063 1.882 ( -3.070 0.000 -1.464) 3.401 1.933 ( 6.364 0.000 -4.511) 7.801 1.948 ( -9.882 0.000 -2.363) 10.161 2.090 ( -4.305 0.000 4.472) 6.207 2.148 ( 0.612 0.000 -6.074) 6.105 2.200 ( 0.463 0.000 1.013) 1.114 2.381 ( -5.332 0.000 5.030) 7.330 2.460 ( 1.576 0.000 5.433) 5.658 2.573 ( 7.781 0.000 0.837) 7.826 2.653 ( 6.509 0.000 9.783) 11.751 2.671 ( -3.063 0.000 3.195) 4.426 2.783 ( -0.881 0.000 -6.900) 6.957 2.841 ( 2.042 0.000 -6.060) 6.395 3.081 ( 5.514 0.000 -4.340) 7.017 3.129 ( 13.277 0.000 0.049) 13.277 3.156 ( 6.297 0.000 -10.521) 12.261 3.272 ( -2.710 0.000 -1.944) 3.335 3.307 ( -0.222 0.000 -9.423) 9.425 3.386 ( -4.175 0.000 -3.511) 5.455 3.514 ( 4.146 0.000 -5.151) 6.613 3.547 ( 1.579 0.000 4.037) 4.335 3.717 ( 3.236 0.000 7.556) 8.220 3.782 ( 5.585 0.000 -10.387) 11.793 3.868 ( 1.433 0.000 -3.713) 3.980 3.923 ( 5.514 0.000 2.936) 6.247 3.979 ( 3.559 0.000 1.279) 3.782 4.061 ( 3.441 0.000 5.323) 6.338 4.085 ( 2.051 0.000 4.800) 5.220 4.325 ( 4.898 0.000 -9.065) 10.304 4.330 ( -3.893 0.000 8.695) 9.527 4.549 ( 4.824 0.000 -3.870) 6.184 4.661 ( -0.974 0.000 2.646) 2.820 4.690 ( -2.281 0.000 -5.895) 6.321 4.729 ( -0.345 0.000 5.376) 5.387 4.801 ( -6.850 0.000 1.372) 6.986 4.831 ( 6.370 0.000 -7.335) 9.715 4.988 ( 6.454 0.000 2.397) 6.885 5.031 ( 4.567 0.000 1.709) 4.876 5.115 ( -0.022 0.000 -3.131) 3.132 5.134 ( -3.492 0.000 -4.691) 5.848 5.192 ( -1.179 0.000 -2.672) 2.921 5.276 ( -11.101 0.000 5.413) 12.350 5.330 ( -1.600 0.000 0.480) 1.671 5.365 ( -0.929 0.000 3.765) 3.878 5.428 ( -5.250 0.000 2.224) 5.701 5.493 ( -1.442 0.000 -3.964) 4.218 5.538 ( -1.316 0.000 -1.259) 1.821 5.691 ( -1.411 0.000 -0.500) 1.497 5.779 ( 2.548 0.000 -0.014) 2.548 5.780 ( -8.187 0.000 -1.032) 8.252 5.943 ( 0.048 0.000 7.384) 7.384 6.080 ( -5.382 0.000 -0.070) 5.383 6.115 ( 2.116 0.000 -2.294) 3.121 6.286 ( 3.211 0.000 0.308) 3.226 6.370 ( -3.273 0.000 3.947) 5.128 6.399 ( -2.015 0.000 -3.340) 3.901 6.502 ( 1.815 0.000 6.383) 6.637 6.539 ( 9.293 0.000 -4.289) 10.235 6.678 ( -3.245 0.000 -1.033) 3.405 6.817 ( -4.021 0.000 -3.948) 5.635 6.972 ( 8.477 0.000 1.823) 8.671 7.221 ( -0.698 0.000 -5.557) 5.601 7.310 ( 1.128 0.000 0.172) 1.141 7.452 ( -6.581 0.000 5.535) 8.599 7.455 ( 0.687 0.000 -9.955) 9.978 7.507 ( 2.817 0.000 2.851) 4.008 7.627 ( 0.244 0.000 3.923) 3.930 7.778 ( -2.285 0.000 6.521) 6.909 8.041 ( 1.820 0.000 -7.559) 7.775 8.160 ( -2.051 0.000 -1.896) 2.793 8.174 ( -2.456 0.000 3.201) 4.035 8.425 ( 1.449 0.000 -0.875) 1.692 8.448 ( 4.776 0.000 0.030) 4.776 8.569 ( -5.762 0.000 -0.080) 5.763 8.608 ( -1.397 0.000 -0.121) 1.403 8.668 ( -3.282 0.000 -3.623) 4.888 8.753 ( 3.596 0.000 0.518) 3.633 8.787 ( -1.915 0.000 -1.526) 2.449 8.826 ( -0.941 0.000 -2.105) 2.306 9.095 ( -0.803 0.000 -0.338) 0.871 9.126 ( 0.491 0.000 -0.265) 0.558 9.274 ( 0.829 0.000 1.031) 1.323 9.307 ( 0.775 0.000 0.850) 1.150 9.582 ( -4.611 0.000 0.513) 4.640 9.741 ( 0.304 0.000 -5.345) 5.353 9.848 ( 1.781 0.000 2.773) 3.295 9.967 ( -0.299 0.000 3.503) 3.516 10.229 ( 1.637 0.000 0.005) 1.637 10.427 ( -0.395 0.000 -2.214) 2.249 10.521 ( -2.369 0.000 3.678) 4.374 10.740 ( 4.007 0.000 -1.788) 4.388 11.222 ( -2.161 0.000 -0.215) 2.171 11.259 ( 2.367 0.000 -1.923) 3.050 11.329 ( 0.990 0.000 -2.171) 2.386 11.375 ( 1.481 0.000 -1.716) 2.267 11.448 ( 1.158 0.000 4.977) 5.110 11.497 ( -0.747 0.000 1.152) 1.373 11.540 ( -3.657 0.000 1.074) 3.811 11.628 ( -1.801 0.000 -1.056) 2.088 11.803 ( 1.258 0.000 2.678) 2.959 11.900 ( -4.123 0.000 3.729) 5.559 12.010 ( 6.970 0.000 -3.208) 7.673 12.105 ( 0.533 0.000 -3.048) 3.094 12.317 ( -5.896 0.000 2.759) 6.510 12.490 ( 0.480 0.000 -5.819) 5.839 12.490 ( 1.666 0.000 4.592) 4.885 12.552 ( 1.325 0.000 3.576) 3.813 12.994 ( -4.190 0.000 2.777) 5.027 13.125 ( -1.543 0.000 0.991) 1.833 13.284 ( -1.161 0.000 0.885) 1.460 13.403 ( 1.782 0.000 -5.008) 5.315 13.469 ( 8.750 0.000 15.601) 17.887 13.727 ( 3.235 0.000 16.427) 16.742 13.731 ( 9.500 0.000 -8.786) 12.940 13.855 ( -0.987 0.000 -6.965) 7.035 14.063 ( -1.864 0.000 5.345) 5.660 14.246 ( -7.140 0.000 1.094) 7.224 14.341 ( 1.205 0.000 0.718) 1.403 14.350 ( 2.686 0.000 2.285) 3.526 14.543 ( -0.373 0.000 17.765) 17.769 14.592 ( 4.112 0.000 -4.135) 5.832 14.752 ( -1.211 0.000 -11.829) 11.891 14.794 ( -4.821 0.000 6.080) 7.759 14.962 ( 3.201 0.000 -1.986) 3.767 15.262 ( -1.287 0.000 2.802) 3.083 15.307 ( -0.176 0.000 -1.917) 1.925 15.343 ( -2.606 0.000 -10.255) 10.581 15.399 ( 4.365 0.000 2.152) 4.867 15.521 ( 9.759 0.000 -1.171) 9.829 15.579 ( -6.243 0.000 -2.838) 6.858 15.827 ( -3.536 0.000 2.941) 4.599 15.849 ( 5.276 0.000 5.484) 7.610 16.062 ( -5.420 0.000 4.665) 7.151 16.139 ( 4.191 0.000 -4.385) 6.066 16.368 ( -0.918 0.000 5.248) 5.328 16.511 ( -0.563 0.000 -1.298) 1.415 16.705 ( -0.720 0.000 4.142) 4.204 16.810 ( 0.912 0.000 -4.908) 4.992 16.909 ( 2.518 0.000 -7.895) 8.287 17.418 ( -0.614 0.000 1.304) 1.442 17.464 ( 0.279 0.000 -0.902) 0.944 17.486 ( -2.204 0.000 -1.436) 2.630 17.576 ( 0.440 0.000 0.374) 0.578 20.420 ( -0.888 0.000 0.544) 1.041 20.595 ( 1.640 0.000 -5.054) 5.313 20.642 ( -1.148 0.000 2.793) 3.020 20.652 ( -2.112 0.000 -5.918) 6.284 20.801 ( 1.794 0.000 -0.581) 1.886 20.819 ( -0.954 0.000 0.053) 0.955 20.887 ( -1.937 0.000 1.996) 2.781 21.131 ( 0.252 0.000 -1.913) 1.929 21.345 ( -1.572 0.000 3.156) 3.526 21.353 ( -2.497 0.000 2.055) 3.234 21.481 ( 0.564 0.000 -1.944) 2.024 21.633 ( 2.984 0.000 -4.192) 5.145 22.833 ( -2.555 0.000 6.538) 7.019 23.098 ( -2.564 0.000 2.341) 3.472 23.152 ( 2.435 0.000 -5.461) 5.979 23.317 ( -0.262 0.000 -4.888) 4.895 24.824 ( -5.305 0.000 7.594) 9.264 25.754 ( 30.633 0.000 66.590) 73.298 25.812 ( 6.044 0.000 -19.074) 20.009 25.916 ( 17.980 0.000 -20.713) 27.428 26.748 ( -10.407 0.000 20.404) 22.905 26.871 ( -16.419 0.000 18.782) 24.947 27.718 ( 2.863 0.000 -13.602) 13.901 27.881 ( 0.598 0.000 -35.853) 35.858 28.944 ( -10.155 0.000 -13.873) 17.192 29.183 ( -10.490 0.000 11.179) 15.330 29.242 ( 2.303 0.000 -2.120) 3.130 29.780 ( 1.143 0.000 1.969) 2.277 30.092 ( -0.585 0.000 1.068) 1.217 30.204 ( -2.044 0.000 -0.084) 2.046 30.255 ( 2.880 0.000 -0.481) 2.920 30.309 ( -0.529 0.000 -1.230) 1.338 31.057 ( -0.824 0.000 2.928) 3.041 31.305 ( 4.425 0.000 -5.360) 6.950 31.320 ( 2.931 0.000 6.361) 7.004 31.473 ( 4.118 0.000 -6.979) 8.103 31.577 ( -3.278 0.000 7.246) 7.953 31.873 ( -7.165 0.000 11.342) 13.416 32.008 ( 4.134 0.000 -5.757) 7.087 32.168 ( 2.371 0.000 -5.033) 5.564 32.535 ( -4.085 0.000 5.972) 7.235 32.588 ( -4.083 0.000 10.102) 10.896 33.025 ( 4.972 0.000 -7.223) 8.768 33.172 ( 6.089 0.000 -10.216) 11.893 33.494 ( -5.965 0.000 10.790) 12.329 33.731 ( -3.359 0.000 -11.212) 11.704 33.746 ( -4.237 0.000 6.166) 7.481 34.338 ( 4.647 0.000 -3.362) 5.736 35.598 ( -0.252 0.000 2.686) 2.698 35.670 ( 0.201 0.000 -0.430) 0.475 35.688 ( -0.622 0.000 0.198) 0.652 35.862 ( 3.149 0.000 -0.817) 3.253 35.911 ( 1.712 0.000 0.888) 1.929 35.934 ( 0.988 0.000 -2.032) 2.259 36.090 ( -2.792 0.000 -5.224) 5.924 36.187 ( 1.844 0.000 1.894) 2.643 36.299 ( -3.943 0.000 1.580) 4.248 36.301 ( -3.889 0.000 -2.074) 4.408 36.584 ( 0.329 0.000 0.928) 0.984 36.734 ( 2.788 0.000 -2.077) 3.477 37.820 ( -3.884 0.000 -2.300) 4.514 38.012 ( -2.134 0.000 -3.466) 4.071 38.352 ( 2.499 0.000 -2.602) 3.608 38.401 ( 8.534 0.000 11.818) 14.577 ======================= Grid point 55 (23/64) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 5.820 15.540 17.396) 24.041 0.718 ( -0.039 21.472 12.760) 24.977 1.271 ( -6.947 17.720 10.337) 21.659 1.330 ( -2.806 3.749 -4.205) 6.294 1.355 ( 1.052 2.483 -0.482) 2.740 1.443 ( -1.982 7.995 3.327) 8.884 1.567 ( 2.289 2.113 -1.532) 3.472 1.668 ( -6.879 0.605 -0.865) 6.960 1.787 ( 5.053 -1.490 0.655) 5.309 1.855 ( -9.311 8.237 0.306) 12.436 1.913 ( -1.224 2.951 1.003) 3.348 2.023 ( 5.789 2.022 1.351) 6.279 2.071 ( 3.979 0.362 4.193) 5.792 2.189 ( -1.098 -0.885 2.446) 2.823 2.251 ( -6.058 6.962 -0.436) 9.239 2.288 ( -1.592 3.632 -4.271) 5.828 2.452 ( -4.436 -0.345 -3.878) 5.902 2.542 ( -6.855 1.956 -5.614) 9.073 2.617 ( -5.781 -2.432 -1.183) 6.382 2.683 ( -1.324 2.643 -0.062) 2.957 2.796 ( 2.366 -6.353 -9.751) 11.876 2.836 ( 4.320 -1.347 -5.233) 6.918 2.972 ( 7.406 -2.799 -14.563) 16.576 3.052 ( 6.277 -4.083 4.819) 8.905 3.216 ( 0.255 -4.101 -5.282) 6.692 3.252 ( -2.924 -0.304 -2.938) 4.156 3.319 ( 2.539 -0.986 0.967) 2.890 3.397 ( 5.318 2.877 -1.902) 6.339 3.563 ( 0.355 0.254 1.488) 1.550 3.630 ( 3.204 0.349 -7.151) 7.844 3.710 ( -3.016 -0.423 6.504) 7.181 3.745 ( 0.584 1.615 -1.826) 2.507 3.792 ( -0.765 -0.756 -2.758) 2.960 3.963 ( -3.361 -3.284 8.053) 9.323 4.126 ( -4.016 1.696 4.165) 6.029 4.142 ( -0.841 0.950 2.438) 2.749 4.218 ( -0.457 1.624 4.509) 4.815 4.282 ( 4.028 -5.548 4.579) 8.244 4.423 ( 5.179 4.594 -5.317) 8.729 4.555 ( -6.487 -0.434 -3.252) 7.269 4.588 ( -2.411 1.584 -3.463) 4.507 4.714 ( 2.407 3.105 -4.492) 5.967 4.742 ( -0.558 -0.551 2.602) 2.717 4.788 ( 2.828 -7.160 -2.585) 8.121 4.824 ( 0.918 1.636 -1.869) 2.648 4.854 ( 4.015 1.552 -4.441) 6.185 4.976 ( -0.329 -8.408 -0.402) 8.424 5.060 ( 0.875 -4.470 -0.035) 4.555 5.109 ( 2.860 -1.474 0.984) 3.365 5.131 ( -2.617 0.856 -0.695) 2.840 5.236 ( -6.365 2.934 5.793) 9.093 5.296 ( -1.823 4.952 -2.139) 5.694 5.356 ( -2.281 -1.471 2.446) 3.653 5.405 ( -1.337 -2.954 1.768) 3.693 5.467 ( 2.261 -0.122 2.430) 3.322 5.597 ( 5.880 -2.175 -1.650) 6.483 5.638 ( 1.391 -3.119 0.410) 3.439 5.690 ( -0.609 -0.364 1.762) 1.899 5.860 ( 2.138 0.293 -0.792) 2.299 5.957 ( -8.026 -1.616 1.004) 8.249 6.111 ( 2.848 -0.358 2.214) 3.625 6.163 ( 3.242 3.412 -6.194) 7.779 6.326 ( 1.553 3.308 -0.742) 3.729 6.361 ( -2.928 -1.026 1.111) 3.296 6.432 ( 2.868 3.752 -1.442) 4.938 6.508 ( -5.220 -1.174 3.419) 6.349 6.555 ( -5.595 2.389 4.447) 7.536 6.669 ( 2.667 -3.013 -4.019) 5.687 6.794 ( 2.212 3.692 -0.824) 4.383 7.032 ( -3.102 -5.723 -2.982) 7.160 7.125 ( 5.967 -1.596 2.947) 6.843 7.272 ( -2.602 -3.554 -0.754) 4.469 7.366 ( -1.666 -1.062 2.364) 3.081 7.455 ( 1.140 6.695 -8.083) 10.558 7.534 ( -0.476 -1.939 3.947) 4.423 7.671 ( -0.484 1.962 -0.527) 2.089 7.868 ( -2.199 3.743 1.436) 4.573 7.999 ( 2.529 1.305 -7.265) 7.803 8.106 ( -0.673 -1.692 1.125) 2.141 8.206 ( 0.341 2.579 -0.638) 2.678 8.491 ( 2.807 1.765 0.348) 3.334 8.499 ( -0.202 0.542 0.794) 0.982 8.533 ( 1.257 0.719 -0.306) 1.480 8.548 ( -2.329 2.022 -0.862) 3.202 8.661 ( 2.701 0.071 1.774) 3.232 8.668 ( -2.631 -0.649 2.039) 3.392 8.761 ( -2.074 0.133 -2.224) 3.044 8.813 ( 2.518 -0.480 -1.324) 2.885 9.120 ( 0.042 3.483 -0.689) 3.551 9.166 ( 0.113 3.417 -1.884) 3.904 9.294 ( 0.683 -1.213 3.101) 3.399 9.334 ( -0.302 0.517 0.709) 0.928 9.518 ( -2.308 0.511 -0.898) 2.529 9.707 ( 2.965 0.618 -5.632) 6.395 9.847 ( 0.625 -4.645 5.352) 7.114 10.018 ( -0.718 0.478 1.818) 2.012 10.269 ( 0.675 0.818 1.431) 1.781 10.450 ( 1.324 3.341 -2.601) 4.436 10.502 ( -4.356 0.224 3.008) 5.298 10.788 ( 1.662 0.723 -4.886) 5.212 11.163 ( -2.544 0.363 1.087) 2.790 11.268 ( 2.744 -2.044 -1.506) 3.738 11.308 ( 0.823 -0.057 -2.113) 2.269 11.336 ( -0.503 -2.301 -2.069) 3.135 11.446 ( 0.467 -3.621 1.725) 4.038 11.498 ( -0.372 -1.704 0.912) 1.968 11.549 ( 0.015 -0.575 2.180) 2.255 11.590 ( -0.319 -1.435 -0.483) 1.547 11.865 ( -0.802 1.640 2.748) 3.300 11.881 ( -2.276 0.447 3.453) 4.160 12.050 ( 3.251 -0.510 -1.485) 3.610 12.069 ( 0.805 -0.146 -3.422) 3.519 12.278 ( -4.021 2.051 4.356) 6.273 12.461 ( 1.175 0.127 -2.270) 2.559 12.565 ( -0.016 -1.304 4.652) 4.832 12.594 ( 1.324 -2.039 2.700) 3.633 13.004 ( -1.377 1.364 4.599) 4.991 13.104 ( -2.139 -0.875 2.290) 3.254 13.260 ( -2.033 -4.358 4.728) 6.744 13.302 ( -11.671 -6.223 10.767) 17.055 13.382 ( 1.965 1.125 -5.867) 6.288 13.539 ( 0.258 -1.986 0.757) 2.141 13.825 ( 9.245 1.688 -8.638) 12.765 13.965 ( 3.364 4.844 -16.272) 17.308 14.103 ( -1.261 0.136 6.241) 6.369 14.158 ( -4.921 0.016 2.025) 5.321 14.284 ( -5.211 -3.608 3.694) 7.336 14.370 ( 3.404 -1.900 -3.840) 5.472 14.407 ( -3.747 0.151 1.065) 3.899 14.560 ( -0.477 -2.641 -0.640) 2.760 14.726 ( 1.566 0.551 1.949) 2.560 14.844 ( -1.569 2.420 5.193) 5.940 14.962 ( -0.567 -1.246 0.670) 1.524 15.282 ( 2.304 -0.895 -3.388) 4.193 15.356 ( 0.060 3.554 -1.417) 3.826 15.381 ( 0.508 1.107 -4.381) 4.547 15.433 ( -2.595 -1.914 -0.257) 3.235 15.501 ( 2.323 0.636 -3.220) 4.021 15.761 ( 2.202 3.231 -3.415) 5.192 15.792 ( -2.536 4.783 -1.475) 5.611 15.965 ( -4.182 -7.270 8.781) 12.143 15.999 ( 3.270 -5.647 5.952) 8.832 16.176 ( 4.453 1.092 -3.957) 6.056 16.436 ( -4.728 1.888 2.697) 5.761 16.447 ( 3.056 -3.385 -1.044) 4.678 16.680 ( -4.439 -2.981 3.228) 6.245 16.809 ( 3.267 1.655 -4.369) 5.701 16.934 ( 6.242 -1.334 -3.185) 7.133 17.446 ( -1.239 -0.099 0.804) 1.480 17.457 ( 0.911 0.413 2.633) 2.817 17.473 ( 1.100 0.075 -0.597) 1.253 17.568 ( -0.228 -1.293 0.093) 1.316 20.451 ( -0.664 2.005 -0.102) 2.114 20.561 ( 0.071 -1.147 -1.451) 1.851 20.647 ( -1.793 1.360 0.302) 2.271 20.681 ( 5.682 0.605 0.954) 5.794 20.801 ( -0.626 0.566 0.653) 1.067 20.843 ( -0.001 2.215 -0.138) 2.219 20.873 ( -2.342 -0.241 3.611) 4.311 21.105 ( -0.766 -1.244 -1.857) 2.363 21.245 ( -3.091 -0.753 3.349) 4.620 21.329 ( -1.296 -1.270 1.763) 2.530 21.477 ( 1.271 0.483 -2.385) 2.745 21.611 ( 2.286 -1.986 -4.493) 5.418 22.913 ( -3.200 4.730 1.190) 5.833 23.080 ( -0.543 -1.331 2.651) 3.015 23.177 ( 3.001 1.535 -2.882) 4.435 23.290 ( 1.929 -0.240 -2.403) 3.091 24.822 ( -5.375 0.020 7.704) 9.394 25.075 ( -23.049 -16.961 21.717) 35.925 25.771 ( 8.459 1.238 -18.831) 20.681 26.041 ( 18.791 -2.695 -19.934) 27.527 26.808 ( -17.444 1.373 20.505) 26.956 27.198 ( -17.803 14.034 -7.356) 23.833 27.841 ( 3.074 10.075 -6.935) 12.612 28.022 ( 18.180 3.605 -8.392) 20.345 28.983 ( 0.340 -5.707 6.958) 9.006 29.180 ( 0.768 -5.595 4.260) 7.074 29.583 ( 16.868 -7.552 5.775) 19.363 29.721 ( -0.771 -5.999 0.067) 6.049 30.123 ( -0.540 1.612 2.427) 2.964 30.217 ( 0.937 -1.801 1.494) 2.521 30.290 ( -0.566 0.734 -1.053) 1.403 30.326 ( 4.633 0.036 0.013) 4.633 31.098 ( -1.500 3.359 2.332) 4.356 31.309 ( -1.097 -4.330 0.262) 4.475 31.347 ( 4.674 -0.824 -3.242) 5.748 31.477 ( 1.161 -0.582 -5.253) 5.411 31.616 ( -2.296 0.363 6.892) 7.274 31.805 ( -6.576 -5.617 8.849) 12.373 32.092 ( 4.901 3.553 -5.139) 7.941 32.164 ( 6.965 -1.344 -5.950) 9.259 32.546 ( -3.786 0.150 7.509) 8.411 32.635 ( -6.298 -1.191 12.085) 13.679 33.137 ( 6.111 2.712 -10.759) 12.668 33.243 ( 7.283 4.551 -9.661) 12.926 33.483 ( -7.062 -0.706 4.617) 8.467 33.639 ( 4.860 -3.739 3.295) 6.961 33.803 ( -0.555 3.883 3.509) 5.263 34.294 ( 0.981 -4.214 -5.559) 7.044 35.612 ( -2.038 -0.145 2.596) 3.304 35.650 ( 0.172 -1.610 0.221) 1.635 35.707 ( 0.952 2.116 -1.633) 2.838 35.853 ( -0.106 -0.487 -1.200) 1.299 35.937 ( -2.646 0.629 -1.934) 3.337 35.988 ( 1.425 3.961 -1.272) 4.398 36.056 ( 8.229 2.903 -1.457) 8.847 36.213 ( -0.628 -1.296 2.790) 3.140 36.269 ( -3.115 -0.725 3.140) 4.482 36.306 ( 1.775 2.348 -3.284) 4.410 36.556 ( -3.401 -4.297 1.868) 5.789 36.691 ( -0.365 -5.260 -2.082) 5.669 37.311 ( -8.608 1.554 7.792) 11.714 37.996 ( -8.212 -0.211 -17.303) 19.154 38.277 ( 1.974 6.191 3.240) 7.261 38.554 ( -3.053 6.095 -1.039) 6.896 ======================= Grid point 56 (24/64) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -3.510 8.735 11.730) 15.041 1.012 ( 8.466 9.604 14.451) 19.306 1.200 ( 0.761 7.796 -7.492) 10.839 1.284 ( -1.889 2.706 2.798) 4.327 1.386 ( 0.661 1.666 1.803) 2.542 1.419 ( -1.384 6.181 -2.305) 6.740 1.539 ( -1.203 3.364 -1.726) 3.968 1.636 ( -4.467 3.948 2.561) 6.489 1.799 ( -2.174 6.391 9.929) 12.007 1.862 ( -2.459 5.663 7.143) 9.441 1.922 ( 2.093 -0.860 3.053) 3.800 2.027 ( -3.440 0.144 -9.571) 10.172 2.159 ( -3.364 -0.092 1.500) 3.684 2.181 ( -1.782 1.268 1.683) 2.760 2.209 ( 2.208 1.000 3.617) 4.354 2.237 ( 1.668 5.245 5.041) 7.463 2.350 ( -3.045 0.641 -4.796) 5.717 2.390 ( -10.572 2.714 -9.103) 14.212 2.457 ( 1.048 7.231 1.679) 7.497 2.623 ( -5.165 2.391 -3.871) 6.883 2.675 ( 0.475 -3.099 -9.359) 9.871 2.856 ( 5.001 -0.648 -7.777) 9.269 2.953 ( 9.165 -0.462 -10.070) 13.624 3.097 ( -5.686 -2.580 0.098) 6.245 3.165 ( -4.506 -1.689 -1.978) 5.203 3.228 ( 0.276 -2.901 2.708) 3.978 3.290 ( -3.167 -2.562 -6.431) 7.613 3.473 ( 5.083 -2.954 0.497) 5.900 3.556 ( -0.873 0.157 0.295) 0.935 3.642 ( -0.580 5.918 -7.270) 9.392 3.680 ( 3.889 0.714 -0.699) 4.016 3.747 ( -6.401 -1.445 12.700) 14.296 3.807 ( 3.041 0.722 -3.012) 4.341 3.929 ( -7.223 -4.288 3.875) 9.250 4.061 ( -2.960 4.883 -4.292) 7.143 4.125 ( -6.189 2.741 5.203) 8.538 4.135 ( -8.168 -3.116 2.205) 9.016 4.324 ( -3.784 -1.521 -0.805) 4.157 4.429 ( -0.202 0.341 -0.597) 0.716 4.492 ( 0.065 -1.624 -4.146) 4.454 4.542 ( 2.211 1.844 -2.098) 3.562 4.701 ( 1.124 -1.530 -2.555) 3.183 4.742 ( 2.254 -1.675 -0.828) 2.928 4.843 ( 4.066 0.534 2.135) 4.624 4.872 ( -0.863 -1.423 1.285) 2.102 4.900 ( 3.349 -0.181 1.272) 3.587 4.944 ( -1.199 -4.518 -2.641) 5.369 5.023 ( -5.414 -1.755 0.320) 5.700 5.087 ( -2.455 -1.167 -2.360) 3.600 5.125 ( 4.895 -4.896 -3.653) 7.828 5.217 ( -0.529 -2.372 1.053) 2.649 5.267 ( -0.991 2.864 2.162) 3.722 5.367 ( 3.082 2.163 0.516) 3.800 5.467 ( 3.009 -2.981 4.038) 5.852 5.542 ( 3.714 -2.029 2.467) 4.899 5.672 ( 4.121 -0.539 -2.718) 4.965 5.688 ( 1.084 -4.750 4.838) 6.866 5.744 ( 4.724 -2.714 -0.315) 5.457 5.826 ( -6.562 -0.380 0.728) 6.613 5.903 ( 2.630 2.244 -0.568) 3.504 6.108 ( -0.043 -2.754 -3.036) 4.099 6.141 ( 1.259 5.060 -6.620) 8.427 6.297 ( -5.642 0.541 2.820) 6.331 6.336 ( -1.226 4.298 0.266) 4.478 6.440 ( -0.341 0.704 -1.395) 1.599 6.470 ( -3.973 1.650 2.597) 5.025 6.518 ( -1.634 4.302 1.325) 4.789 6.725 ( 3.443 -0.036 1.689) 3.835 6.876 ( 2.172 -1.594 4.253) 5.034 6.960 ( -0.882 -0.120 -0.734) 1.154 7.184 ( -2.588 0.478 -5.001) 5.651 7.234 ( 5.733 -1.927 -1.121) 6.151 7.375 ( -0.220 -1.091 1.191) 1.630 7.449 ( 3.991 1.351 -0.830) 4.294 7.557 ( -2.038 -1.791 3.548) 4.466 7.634 ( -1.823 1.296 -1.366) 2.620 7.850 ( -1.491 3.638 1.179) 4.105 7.987 ( 3.967 1.185 -4.214) 5.907 8.094 ( -2.520 -2.502 1.530) 3.867 8.213 ( 1.241 2.414 -1.002) 2.893 8.481 ( -0.524 2.298 0.378) 2.388 8.483 ( -2.220 2.567 -0.870) 3.503 8.578 ( 2.633 -0.067 0.434) 2.670 8.591 ( 3.549 0.988 -0.151) 3.688 8.663 ( 0.312 0.352 1.646) 1.712 8.696 ( -0.104 0.778 -1.806) 1.969 8.753 ( 3.979 -0.627 0.032) 4.028 8.844 ( 2.681 -0.892 -1.018) 3.004 9.127 ( 1.566 3.157 -0.708) 3.594 9.142 ( -1.028 3.561 -1.012) 3.842 9.316 ( -1.228 -0.565 0.830) 1.586 9.339 ( -0.487 -1.264 2.254) 2.629 9.495 ( 0.631 0.765 -0.414) 1.075 9.704 ( 4.000 0.593 -5.210) 6.595 9.903 ( -1.049 -4.735 4.890) 6.887 10.007 ( -2.441 -0.551 0.875) 2.651 10.284 ( -0.724 -0.171 1.450) 1.630 10.442 ( 0.977 2.367 -2.281) 3.429 10.458 ( -4.425 0.971 3.384) 5.655 10.739 ( -1.930 -0.091 -3.250) 3.781 11.156 ( 0.402 0.862 0.756) 1.215 11.287 ( -1.904 -0.139 -1.285) 2.301 11.302 ( 0.892 -1.803 -0.446) 2.061 11.308 ( 2.869 -1.475 -2.476) 4.067 11.447 ( -0.737 -2.181 0.451) 2.346 11.516 ( 1.148 -1.633 0.759) 2.136 11.559 ( -1.490 -1.524 0.723) 2.251 11.611 ( 3.613 -1.131 -0.555) 3.826 11.832 ( -3.842 2.251 1.996) 4.880 11.920 ( 0.311 0.223 2.779) 2.805 12.052 ( 0.754 -0.176 -2.667) 2.777 12.080 ( 1.301 -0.084 -0.192) 1.318 12.284 ( -0.447 2.129 3.292) 3.946 12.468 ( 1.892 1.022 -1.033) 2.386 12.593 ( -1.535 -0.709 3.186) 3.607 12.639 ( 0.833 -3.137 1.810) 3.716 13.043 ( -1.793 1.327 6.100) 6.495 13.100 ( -1.412 -1.006 2.680) 3.192 13.236 ( -5.912 1.098 7.169) 9.356 13.294 ( 0.545 -0.896 1.439) 1.781 13.369 ( 3.132 -0.330 -4.355) 5.375 13.546 ( -0.527 -2.660 0.705) 2.802 13.781 ( 2.832 4.113 -12.322) 13.296 13.963 ( 6.926 0.695 -4.057) 8.057 14.134 ( -0.200 -0.038 1.868) 1.879 14.159 ( -1.196 -0.840 7.314) 7.458 14.223 ( -4.853 -1.647 1.491) 5.338 14.387 ( 3.379 -2.378 -2.830) 5.008 14.416 ( 0.603 -2.275 2.142) 3.182 14.564 ( 2.512 -3.411 -2.817) 5.087 14.757 ( -0.649 -0.363 2.455) 2.565 14.870 ( -1.591 2.894 4.330) 5.446 14.972 ( -0.910 -0.258 2.392) 2.572 15.287 ( 0.064 -0.024 -3.450) 3.451 15.307 ( 0.034 0.298 -2.506) 2.524 15.344 ( 0.409 1.155 -2.787) 3.044 15.407 ( 1.029 -4.866 -2.384) 5.516 15.527 ( 2.664 -2.277 -0.771) 3.589 15.710 ( -1.411 4.408 -3.741) 5.952 15.765 ( -1.507 4.674 0.669) 4.956 15.955 ( -4.451 -1.207 5.484) 7.165 16.019 ( -5.602 -7.620 4.927) 10.664 16.216 ( 2.810 1.579 -2.506) 4.083 16.356 ( -3.194 0.882 -1.755) 3.750 16.483 ( 0.072 -0.532 2.165) 2.230 16.619 ( -6.054 -2.850 1.588) 6.877 16.827 ( 4.558 1.968 -4.525) 6.718 16.973 ( 2.543 -1.097 -3.382) 4.372 17.441 ( -0.359 -0.012 0.216) 0.419 17.478 ( 0.869 -0.224 -0.220) 0.924 17.503 ( 0.267 -0.606 2.384) 2.475 17.558 ( -0.627 -0.878 -0.625) 1.247 20.458 ( 0.192 0.989 1.437) 1.755 20.545 ( 0.448 -0.999 -1.525) 1.877 20.619 ( -0.773 2.265 -1.414) 2.780 20.769 ( 2.281 -0.426 -1.460) 2.742 20.799 ( 1.233 -0.027 0.775) 1.457 20.849 ( 0.092 1.703 0.555) 1.793 20.878 ( -1.895 0.389 3.803) 4.267 21.076 ( 0.004 -1.952 -2.146) 2.901 21.248 ( -1.097 0.652 2.960) 3.223 21.332 ( -1.503 -1.435 2.794) 3.483 21.478 ( 2.252 0.629 -2.465) 3.397 21.595 ( 1.888 -1.930 -4.733) 5.449 22.850 ( -5.964 5.999 2.556) 8.836 23.103 ( -0.298 -0.660 2.695) 2.791 23.202 ( 3.243 0.560 -2.276) 4.002 23.302 ( 2.979 -1.482 -3.458) 4.799 24.813 ( -6.677 -0.230 8.743) 11.004 24.945 ( -14.705 -3.847 14.193) 20.796 25.725 ( 12.200 2.568 -20.291) 23.815 26.151 ( 16.483 -6.078 -14.086) 22.518 26.741 ( -18.017 2.300 20.803) 27.617 27.020 ( -9.934 6.823 11.909) 16.943 27.824 ( 4.224 9.941 -7.348) 13.064 28.106 ( 9.131 1.870 -12.069) 15.249 29.035 ( 0.471 -3.280 4.051) 5.234 29.226 ( 0.929 -7.378 1.584) 7.603 29.656 ( -2.862 -4.690 -2.182) 5.911 29.765 ( 0.554 -8.079 0.080) 8.098 30.139 ( -0.828 0.968 3.041) 3.297 30.217 ( -1.410 -2.789 -0.235) 3.134 30.285 ( 0.742 1.405 -1.562) 2.228 30.366 ( 0.712 0.701 -2.460) 2.655 31.124 ( 0.329 0.203 3.683) 3.703 31.264 ( -3.153 -2.308 -1.533) 4.197 31.379 ( 1.126 -2.048 -2.119) 3.155 31.416 ( 1.812 1.730 -5.512) 6.054 31.654 ( -2.604 -0.479 6.986) 7.471 31.755 ( -8.583 -2.109 6.025) 10.697 32.115 ( 6.133 2.573 -7.859) 10.295 32.229 ( 5.623 -2.601 -2.897) 6.839 32.576 ( -2.435 -0.901 7.131) 7.589 32.634 ( -8.272 0.104 10.935) 13.711 33.110 ( 5.554 4.640 -10.848) 13.040 33.235 ( 4.000 5.172 -5.658) 8.647 33.434 ( -4.315 -0.914 2.335) 4.991 33.749 ( -1.539 -4.021 8.314) 9.363 33.858 ( 5.101 -0.736 -0.486) 5.176 34.214 ( -2.062 -3.865 -7.087) 8.331 35.595 ( -2.836 -0.037 2.241) 3.614 35.656 ( -0.140 -1.893 0.455) 1.952 35.712 ( 1.196 2.021 -1.194) 2.634 35.842 ( 0.052 -0.660 -0.435) 0.792 35.898 ( -0.568 0.992 -1.361) 1.777 36.006 ( 3.043 5.209 -2.144) 6.402 36.123 ( -0.791 2.662 1.983) 3.412 36.203 ( -2.348 3.990 -1.882) 4.997 36.306 ( 7.598 -3.405 -1.692) 8.496 36.342 ( 5.045 -0.192 -0.823) 5.115 36.520 ( -2.315 -3.767 1.349) 4.623 36.682 ( 0.222 -5.496 0.279) 5.507 37.343 ( -0.835 4.994 9.001) 10.327 37.778 ( -0.536 -4.807 -8.137) 9.466 38.326 ( -2.229 7.379 4.976) 9.175 38.474 ( -2.741 6.632 -2.683) 7.662 ======================= Grid point 57 (25/64) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -4.987 7.647 12.970) 15.861 1.168 ( 1.171 7.728 3.476) 8.554 1.261 ( 2.481 0.490 2.193) 3.348 1.283 ( -0.076 -2.077 2.470) 3.228 1.382 ( 0.844 0.543 2.796) 2.971 1.469 ( 1.178 4.376 0.214) 4.537 1.543 ( 2.202 4.785 1.557) 5.492 1.621 ( -2.481 6.018 5.667) 8.631 1.685 ( -7.177 1.303 -2.275) 7.641 1.835 ( -7.721 -2.478 3.102) 8.682 1.946 ( -1.771 0.563 -1.102) 2.161 2.039 ( -1.553 1.091 -2.112) 2.840 2.089 ( -0.531 1.333 2.466) 2.853 2.108 ( -4.872 5.184 -5.381) 8.920 2.248 ( 4.903 0.981 7.447) 8.970 2.256 ( 0.410 -0.729 -2.017) 2.183 2.333 ( 1.657 -1.723 2.472) 3.439 2.379 ( 1.636 6.570 5.662) 8.826 2.492 ( -2.225 2.300 -4.174) 5.260 2.524 ( 1.774 4.399 0.390) 4.759 2.622 ( -1.157 4.007 -0.132) 4.173 2.837 ( 2.367 2.441 -6.668) 7.484 2.959 ( -3.411 1.759 -4.811) 6.154 2.980 ( -7.847 -2.504 -0.645) 8.262 3.095 ( 6.104 -2.599 0.740) 6.675 3.219 ( 2.030 0.907 0.230) 2.235 3.284 ( 3.333 2.217 -1.665) 4.335 3.465 ( -1.113 -3.886 -1.435) 4.290 3.525 ( -4.193 8.179 -0.233) 9.194 3.616 ( 3.335 -5.010 -5.111) 7.896 3.713 ( -6.472 0.086 10.523) 12.354 3.751 ( -1.269 0.662 -0.645) 1.570 3.804 ( -0.220 -0.521 -1.813) 1.899 3.858 ( -6.288 -1.550 2.554) 6.961 3.961 ( -4.659 1.025 -3.808) 6.104 4.013 ( 0.007 0.457 -0.998) 1.097 4.178 ( -1.045 -2.197 7.628) 8.006 4.250 ( 2.077 2.785 -7.062) 7.870 4.359 ( -5.301 1.570 -0.991) 5.617 4.459 ( -0.219 -2.684 -4.348) 5.114 4.538 ( 0.998 1.479 -2.199) 2.832 4.709 ( -7.761 -1.782 2.468) 8.337 4.731 ( -1.049 -3.396 0.766) 3.636 4.780 ( 1.574 -3.270 -0.881) 3.735 4.911 ( 1.078 6.829 1.632) 7.104 4.948 ( -1.559 -1.888 1.871) 3.081 4.984 ( -4.857 -0.506 1.105) 5.007 5.014 ( 5.901 -2.564 -1.131) 6.533 5.044 ( 3.459 -6.282 1.746) 7.381 5.141 ( 3.544 -5.038 -5.161) 8.036 5.254 ( 2.182 -4.116 -0.438) 4.679 5.266 ( -0.348 2.776 1.655) 3.250 5.423 ( 4.050 -0.616 0.731) 4.161 5.585 ( 1.732 -1.941 5.230) 5.842 5.604 ( -0.217 -2.948 3.720) 4.752 5.677 ( -5.372 -3.605 1.031) 6.551 5.727 ( 1.737 -2.901 0.045) 3.381 5.764 ( 3.870 -2.783 0.757) 4.827 5.873 ( 8.461 -1.414 -2.084) 8.828 5.928 ( 3.818 5.586 -4.775) 8.281 6.071 ( -1.968 3.203 -3.573) 5.187 6.080 ( 1.266 -0.051 -4.297) 4.480 6.233 ( -5.185 1.726 2.480) 6.002 6.327 ( -0.753 -0.643 2.109) 2.330 6.397 ( -6.620 2.027 3.414) 7.719 6.430 ( -0.791 2.503 -0.792) 2.742 6.527 ( 0.286 5.778 1.488) 5.974 6.734 ( -4.432 5.855 1.575) 7.511 6.885 ( 1.588 -4.646 -3.191) 5.855 7.041 ( 3.440 -0.158 0.729) 3.520 7.110 ( -0.781 3.512 1.130) 3.771 7.306 ( 4.803 -2.230 -1.526) 5.510 7.396 ( 2.473 -0.480 -1.195) 2.789 7.513 ( 1.050 -0.493 2.339) 2.611 7.539 ( -1.500 -0.602 0.752) 1.783 7.604 ( -1.520 -0.406 0.342) 1.611 7.836 ( -0.307 3.728 -1.486) 4.025 8.031 ( 3.933 0.129 -0.533) 3.971 8.064 ( -2.959 -5.473 1.805) 6.478 8.214 ( -0.002 0.142 -1.073) 1.083 8.446 ( -0.434 5.015 -0.837) 5.102 8.499 ( 2.017 2.077 -0.140) 2.898 8.576 ( -2.000 0.576 -0.833) 2.242 8.601 ( -1.431 2.240 2.443) 3.610 8.709 ( 3.855 0.010 -0.937) 3.968 8.744 ( 4.503 0.246 -0.196) 4.514 8.794 ( 2.339 -0.877 -1.350) 2.839 8.867 ( 0.746 -0.085 -1.029) 1.274 9.114 ( -1.392 3.454 -0.020) 3.724 9.147 ( 1.684 2.694 -0.747) 3.264 9.291 ( -1.832 -1.583 -0.111) 2.424 9.345 ( -1.063 -1.634 0.706) 2.074 9.526 ( 2.243 0.623 1.146) 2.595 9.731 ( 5.282 -0.231 -3.677) 6.440 9.908 ( -2.987 -4.085 2.091) 5.476 9.956 ( -3.594 -1.118 -0.801) 3.848 10.276 ( -1.666 -0.335 0.757) 1.861 10.421 ( -3.833 -0.864 4.629) 6.072 10.468 ( 3.528 3.469 -1.309) 5.118 10.667 ( -3.115 -0.454 -1.692) 3.574 11.183 ( 1.474 0.845 1.013) 1.978 11.241 ( -1.636 0.653 -0.721) 1.903 11.298 ( -0.017 -2.012 -1.137) 2.311 11.342 ( 2.501 -2.010 -1.217) 3.431 11.449 ( 0.548 -1.704 0.205) 1.801 11.537 ( -0.757 -1.843 0.655) 2.098 11.546 ( 0.255 -0.303 0.712) 0.815 11.656 ( 2.667 -1.531 -1.137) 3.278 11.799 ( -2.312 2.792 1.475) 3.913 11.941 ( -0.726 0.385 1.917) 2.086 12.028 ( 0.310 1.102 -3.355) 3.544 12.089 ( -0.376 0.316 0.871) 1.000 12.320 ( 1.340 0.547 1.270) 1.926 12.491 ( 1.866 1.663 -1.092) 2.728 12.585 ( -2.437 -1.052 1.277) 2.946 12.649 ( -0.001 -3.115 -1.371) 3.403 13.056 ( -4.145 1.224 5.626) 7.095 13.118 ( -0.360 -0.482 2.713) 2.779 13.224 ( -2.083 2.416 1.095) 3.373 13.316 ( 0.590 -0.915 0.580) 1.233 13.396 ( 3.897 -0.468 -1.419) 4.174 13.538 ( -1.578 -2.168 1.312) 2.986 13.719 ( 4.422 2.826 -10.217) 11.486 14.009 ( 0.815 -1.068 0.681) 1.506 14.154 ( -2.327 -1.358 -0.976) 2.866 14.188 ( 3.744 -2.378 -0.601) 4.476 14.217 ( -1.757 -1.950 7.217) 7.679 14.417 ( 1.966 -2.749 -0.367) 3.400 14.447 ( 1.573 -2.211 0.542) 2.767 14.577 ( 2.073 -2.306 -2.036) 3.709 14.755 ( -1.399 -0.036 0.325) 1.436 14.889 ( -0.237 1.430 1.968) 2.444 14.974 ( -4.954 3.008 6.522) 8.725 15.229 ( -2.497 -0.157 0.524) 2.557 15.314 ( 3.493 0.080 -5.799) 6.770 15.347 ( 2.227 -0.151 0.310) 2.253 15.386 ( 3.446 -5.239 -7.519) 9.790 15.559 ( 0.634 -3.710 -0.111) 3.766 15.649 ( -0.723 3.701 -4.308) 5.725 15.762 ( -0.990 3.532 2.946) 4.704 15.918 ( -4.313 -1.416 1.135) 4.679 16.005 ( -5.757 -6.304 9.997) 13.146 16.181 ( -1.770 5.125 -3.344) 6.371 16.330 ( 2.150 -1.151 -2.938) 3.818 16.511 ( -0.327 -0.619 3.844) 3.907 16.535 ( -5.618 -1.177 2.214) 6.152 16.856 ( 5.341 1.770 -5.101) 7.594 16.960 ( 0.419 0.387 -3.078) 3.131 17.436 ( -0.137 0.435 -0.214) 0.504 17.489 ( 0.488 -0.890 -0.072) 1.017 17.522 ( -0.656 -0.219 1.761) 1.892 17.539 ( -0.433 -0.264 -0.886) 1.021 20.470 ( -0.207 0.134 0.606) 0.654 20.542 ( -0.133 0.349 -0.216) 0.431 20.609 ( 1.808 3.557 -1.095) 4.137 20.762 ( 0.055 0.637 -1.118) 1.288 20.817 ( -0.828 1.218 0.425) 1.533 20.854 ( 0.477 -0.363 -0.546) 0.810 20.892 ( -0.891 0.081 2.665) 2.811 21.067 ( 0.988 -2.469 -0.762) 2.767 21.265 ( -1.066 0.794 3.364) 3.617 21.335 ( -2.272 -0.817 3.340) 4.122 21.500 ( 3.195 0.410 -2.013) 3.799 21.574 ( 1.887 -1.527 -4.452) 5.071 22.795 ( -4.829 6.005 4.200) 8.776 23.123 ( -0.781 -0.468 2.423) 2.588 23.225 ( 2.571 -0.068 -2.875) 3.857 23.310 ( 2.714 -2.013 -3.453) 4.832 24.799 ( -7.429 0.038 10.686) 13.014 24.899 ( -7.739 -1.161 10.093) 12.771 25.729 ( 15.015 2.165 -20.524) 25.522 26.233 ( 8.266 -9.492 -10.621) 16.469 26.685 ( -15.376 3.976 20.693) 26.085 27.026 ( -7.687 -0.311 12.556) 14.725 27.814 ( 5.068 7.389 -8.741) 12.517 28.092 ( 5.456 1.388 -12.152) 13.393 29.090 ( 3.003 -4.323 -0.279) 5.271 29.253 ( 0.843 -5.940 1.416) 6.165 29.587 ( -0.286 -0.806 -3.882) 3.975 29.713 ( -5.424 -4.153 -0.199) 6.834 30.158 ( -0.630 -0.288 1.836) 1.963 30.185 ( -2.162 -1.849 0.197) 2.851 30.273 ( 0.514 3.888 -1.711) 4.279 30.337 ( -0.146 2.771 -1.601) 3.204 31.147 ( -2.884 -1.219 1.366) 3.416 31.212 ( -0.116 0.551 0.292) 0.634 31.340 ( 1.409 -1.244 -5.403) 5.721 31.434 ( 2.017 0.698 -1.096) 2.399 31.641 ( -7.513 -0.845 5.746) 9.496 31.723 ( -1.981 -0.507 5.363) 5.739 32.119 ( 6.073 2.899 -9.719) 11.821 32.270 ( 3.439 -2.148 -3.382) 5.280 32.608 ( -3.105 -1.332 6.511) 7.335 32.617 ( -7.239 0.874 9.444) 11.932 33.091 ( 5.870 4.910 -10.073) 12.650 33.246 ( 5.934 3.183 -8.873) 11.139 33.400 ( -3.486 1.723 4.617) 6.037 33.781 ( -7.200 -1.535 11.654) 13.784 33.949 ( 7.140 -3.744 -1.882) 8.279 34.092 ( -2.731 -3.116 -6.746) 7.917 35.578 ( -2.218 -0.225 2.446) 3.309 35.654 ( -0.661 -1.795 0.530) 1.985 35.714 ( 0.556 2.924 -1.185) 3.203 35.840 ( -0.077 0.251 -0.212) 0.338 35.879 ( 0.215 0.178 -1.561) 1.585 36.025 ( 1.730 6.587 -2.338) 7.201 36.125 ( -1.132 2.630 2.542) 3.829 36.158 ( -0.163 3.629 -1.691) 4.007 36.384 ( 5.365 -4.875 -5.250) 8.950 36.434 ( 5.607 -2.118 0.925) 6.065 36.523 ( 0.711 -1.571 1.956) 2.607 36.661 ( -3.021 -2.096 -0.931) 3.793 37.454 ( 2.540 -1.538 9.381) 9.839 37.758 ( 0.605 -11.446 1.663) 11.582 38.283 ( -4.496 10.149 -1.667) 11.224 38.448 ( -0.631 5.271 1.968) 5.662 ======================= Grid point 58 (26/64) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 0.469 9.788 15.745) 18.546 1.164 ( -2.009 2.289 3.074) 4.327 1.256 ( -1.996 0.336 -2.060) 2.888 1.339 ( -0.518 -1.843 4.202) 4.617 1.401 ( -1.384 -0.433 2.075) 2.532 1.524 ( 1.826 1.247 0.450) 2.256 1.562 ( -7.917 5.719 0.296) 9.770 1.612 ( 2.157 4.552 2.245) 5.515 1.626 ( -3.231 6.059 3.571) 7.740 1.726 ( -5.018 1.992 -1.782) 5.686 1.818 ( -2.246 -1.478 0.228) 2.698 2.014 ( 0.196 0.956 -3.950) 4.068 2.094 ( -2.131 -3.556 -1.461) 4.396 2.144 ( 3.888 -4.639 4.875) 7.773 2.230 ( -1.036 -2.990 -2.705) 4.163 2.332 ( -0.943 -1.449 2.430) 2.982 2.374 ( -1.542 2.308 5.793) 6.424 2.447 ( 3.719 8.244 4.834) 10.255 2.498 ( 2.864 3.074 0.549) 4.238 2.550 ( 1.900 4.169 1.461) 4.809 2.663 ( -0.084 9.995 10.028) 14.158 2.791 ( 1.153 1.151 -1.284) 2.074 2.888 ( 2.404 3.429 -3.003) 5.154 3.003 ( 4.037 0.655 0.406) 4.110 3.130 ( 4.651 -1.732 -3.806) 6.255 3.306 ( 2.535 1.435 -4.372) 5.254 3.341 ( 5.541 3.796 1.252) 6.832 3.456 ( -5.253 -3.009 4.663) 7.641 3.500 ( 1.239 -3.900 -0.754) 4.161 3.565 ( 0.246 -0.855 1.175) 1.474 3.674 ( -5.654 -2.310 -2.275) 6.517 3.713 ( -2.985 0.564 0.656) 3.108 3.758 ( 2.543 0.451 -6.470) 6.966 3.821 ( -2.011 2.057 3.054) 4.196 3.878 ( -0.131 1.788 -3.641) 4.058 4.035 ( -1.087 1.735 3.401) 3.970 4.233 ( 5.052 0.373 -3.674) 6.257 4.271 ( -2.245 0.768 2.804) 3.673 4.307 ( 5.036 -1.595 1.723) 5.556 4.397 ( 0.409 -1.889 -5.368) 5.706 4.539 ( 2.028 2.248 -2.314) 3.811 4.629 ( -2.344 0.565 3.027) 3.869 4.757 ( -0.522 -3.421 -0.489) 3.495 4.794 ( 0.783 -1.698 2.081) 2.798 4.910 ( -0.566 -1.808 -2.247) 2.939 4.921 ( -0.867 4.290 -2.011) 4.817 4.958 ( -2.277 -0.363 4.459) 5.020 5.059 ( 0.293 -4.694 1.122) 4.835 5.093 ( -0.916 -6.541 2.047) 6.914 5.148 ( 3.388 -3.106 -5.940) 7.511 5.268 ( 2.881 -1.393 1.994) 3.771 5.328 ( -0.119 -2.608 3.898) 4.691 5.497 ( 1.940 0.743 0.440) 2.124 5.575 ( -7.324 -3.041 2.133) 8.212 5.578 ( -2.858 -4.700 2.015) 5.859 5.635 ( -2.843 -1.732 1.692) 3.734 5.766 ( 2.130 -0.871 -0.801) 2.437 5.800 ( -2.809 -1.344 0.661) 3.184 5.926 ( -1.971 0.763 0.010) 2.114 5.977 ( 11.475 3.129 -7.016) 13.809 6.006 ( -0.958 4.323 -4.628) 6.405 6.080 ( 3.236 -3.144 -2.198) 5.019 6.218 ( 0.101 0.662 2.887) 2.964 6.296 ( -3.591 -1.080 1.931) 4.218 6.398 ( 0.829 3.759 3.646) 5.302 6.429 ( -1.370 4.769 4.419) 6.644 6.575 ( 4.191 2.978 1.828) 5.456 6.668 ( -4.071 8.010 0.512) 9.000 6.843 ( -0.696 -3.782 -5.961) 7.094 7.002 ( -2.945 1.989 -1.909) 4.034 7.202 ( 3.263 -1.342 3.491) 4.963 7.335 ( 0.468 -3.025 -3.320) 4.516 7.414 ( 1.670 1.027 -0.741) 2.096 7.522 ( -1.777 -0.378 4.829) 5.159 7.562 ( 2.142 1.083 -1.620) 2.896 7.577 ( -2.863 -0.053 1.974) 3.478 7.807 ( -0.485 3.740 -2.094) 4.314 8.039 ( -1.310 -8.085 0.997) 8.251 8.094 ( 2.092 -0.119 1.518) 2.587 8.194 ( 0.601 -1.112 -2.253) 2.583 8.448 ( 0.054 6.011 0.709) 6.053 8.499 ( -1.119 1.308 -1.867) 2.540 8.577 ( 2.071 0.759 1.522) 2.680 8.609 ( -0.537 2.096 2.468) 3.282 8.733 ( -0.119 -2.264 -2.215) 3.170 8.771 ( 0.082 0.049 0.403) 0.414 8.831 ( -2.063 0.490 -1.222) 2.448 8.833 ( 2.841 1.495 -2.784) 4.250 9.108 ( 0.316 3.243 0.949) 3.394 9.163 ( 1.000 3.127 -0.588) 3.335 9.271 ( 0.124 -1.354 -0.381) 1.412 9.319 ( -1.677 -1.216 -1.252) 2.421 9.574 ( 0.515 -0.728 2.807) 2.945 9.779 ( 3.157 -2.940 -2.852) 5.171 9.866 ( -2.063 -1.849 -0.808) 2.886 9.894 ( -1.079 -0.123 -1.442) 1.806 10.251 ( -2.524 1.108 1.421) 3.101 10.424 ( -1.788 -1.896 3.917) 4.705 10.520 ( 2.528 2.944 -0.269) 3.890 10.626 ( 0.887 -0.324 -0.511) 1.073 11.210 ( -0.057 0.000 1.104) 1.106 11.230 ( 0.185 0.709 0.711) 1.021 11.284 ( 0.671 -2.308 -1.836) 3.025 11.352 ( 0.818 -2.365 -1.703) 3.027 11.465 ( 0.623 -1.473 0.558) 1.694 11.513 ( -1.555 -1.545 -1.022) 2.419 11.567 ( -0.401 -0.369 2.211) 2.277 11.670 ( 0.812 -1.630 -1.397) 2.295 11.790 ( -0.702 2.817 1.214) 3.146 11.938 ( -1.884 0.327 1.182) 2.248 11.996 ( 0.771 2.657 -3.502) 4.463 12.094 ( -0.237 0.309 1.177) 1.240 12.348 ( 0.412 -0.549 1.236) 1.414 12.500 ( 1.052 1.269 -1.375) 2.147 12.538 ( -3.531 -1.113 -0.669) 3.763 12.610 ( -0.721 -2.608 -4.392) 5.159 13.048 ( -3.759 0.288 5.346) 6.542 13.136 ( -1.578 -0.163 3.431) 3.780 13.184 ( -2.470 2.404 -0.923) 3.568 13.317 ( -0.985 -1.384 -0.054) 1.700 13.437 ( 3.051 -0.630 -2.908) 4.261 13.539 ( -1.431 -2.010 4.041) 4.734 13.699 ( 5.960 2.302 -9.268) 11.257 14.007 ( -0.703 -1.528 -1.123) 2.022 14.104 ( -2.571 -0.476 -0.171) 2.620 14.234 ( 2.288 -4.598 -1.312) 5.300 14.264 ( -0.215 -1.540 4.797) 5.043 14.428 ( -2.167 -1.611 2.578) 3.733 14.484 ( 0.542 -1.392 2.209) 2.667 14.577 ( 1.182 -0.836 -2.685) 3.050 14.728 ( -0.718 0.496 -1.516) 1.749 14.896 ( -0.979 2.170 0.376) 2.410 14.956 ( -5.056 2.726 6.462) 8.646 15.231 ( 1.096 -0.937 1.929) 2.409 15.311 ( 0.969 -0.551 -2.213) 2.478 15.367 ( 4.902 -1.594 -6.214) 8.074 15.405 ( 5.067 -0.393 -2.881) 5.842 15.504 ( -2.847 1.167 -5.545) 6.342 15.633 ( 2.226 -2.141 -0.314) 3.105 15.770 ( -1.707 1.965 1.085) 2.820 15.872 ( -3.347 -2.106 2.675) 4.774 16.018 ( -5.161 -5.673 8.683) 11.585 16.150 ( 2.810 6.098 -3.203) 7.439 16.322 ( 0.959 -1.161 -3.082) 3.430 16.501 ( -2.360 -0.592 3.405) 4.185 16.565 ( 0.279 -1.275 5.711) 5.859 16.891 ( 5.724 0.932 -5.158) 7.761 16.924 ( -0.379 1.204 -3.570) 3.786 17.434 ( -0.050 0.601 -0.100) 0.611 17.487 ( -0.001 -0.440 -0.899) 1.001 17.514 ( -1.525 -0.274 0.835) 1.760 17.540 ( 0.738 -0.475 0.098) 0.883 20.465 ( -0.979 1.245 0.379) 1.628 20.542 ( 1.111 -0.383 -0.684) 1.360 20.642 ( 1.406 3.896 1.106) 4.287 20.754 ( 0.477 0.609 -1.328) 1.537 20.796 ( -0.820 1.275 -0.871) 1.748 20.849 ( 0.276 -0.368 -1.438) 1.510 20.901 ( -1.689 0.064 2.886) 3.345 21.089 ( 1.391 -2.430 0.948) 2.956 21.282 ( -2.214 0.272 4.545) 5.063 21.334 ( -1.895 -0.610 3.078) 3.666 21.514 ( 0.988 -0.025 -2.367) 2.565 21.578 ( 3.691 -1.135 -3.063) 4.929 22.791 ( -2.195 5.399 5.694) 8.148 23.127 ( -1.779 -0.726 1.948) 2.736 23.218 ( 1.437 -0.052 -4.187) 4.427 23.320 ( 2.544 -2.216 -2.856) 4.420 24.808 ( -6.630 -0.018 11.970) 13.683 24.897 ( -6.432 -1.467 11.215) 13.011 25.765 ( 16.791 1.753 -20.925) 26.886 26.166 ( 0.126 -7.134 -13.281) 15.076 26.709 ( -9.545 4.641 21.533) 24.007 27.006 ( -10.338 -1.624 11.070) 15.233 27.805 ( 6.244 4.667 -9.733) 12.470 28.029 ( 5.498 -0.646 -15.496) 16.455 29.117 ( 2.509 -5.130 -2.365) 6.180 29.280 ( -1.104 -3.359 2.127) 4.126 29.561 ( -0.168 -0.642 -3.361) 3.426 29.638 ( -0.460 -0.063 -0.914) 1.025 30.135 ( -2.090 0.182 -0.248) 2.113 30.179 ( 0.429 -1.353 0.375) 1.468 30.279 ( 1.253 4.300 -0.375) 4.495 30.334 ( 0.813 2.180 -0.556) 2.393 31.095 ( -2.454 1.335 -0.503) 2.839 31.238 ( 0.282 -0.452 1.971) 2.042 31.317 ( 2.525 -0.821 -4.714) 5.410 31.443 ( 2.164 -0.688 -3.120) 3.859 31.593 ( -5.213 0.924 5.229) 7.441 31.759 ( -2.479 -2.175 7.248) 7.963 32.107 ( 5.691 3.752 -10.038) 12.133 32.268 ( 1.957 -1.635 -5.297) 5.879 32.594 ( -7.679 1.268 8.801) 11.749 32.610 ( -4.458 -1.305 5.244) 7.006 33.080 ( 5.306 4.548 -8.860) 11.284 33.227 ( 6.869 1.412 -13.095) 14.855 33.428 ( -2.925 3.375 9.140) 10.173 33.775 ( -7.859 -1.094 10.314) 13.013 33.943 ( -1.410 -2.882 -7.060) 7.755 34.099 ( 7.602 -3.578 -0.252) 8.406 35.574 ( -1.724 -0.272 2.627) 3.154 35.652 ( -0.328 -1.712 0.674) 1.869 35.710 ( 0.857 3.691 -1.385) 4.035 35.836 ( 0.573 0.708 -1.017) 1.365 35.873 ( 0.568 0.049 -0.613) 0.837 36.013 ( 0.891 5.407 -3.092) 6.292 36.136 ( -1.414 2.660 1.690) 3.454 36.160 ( 1.381 3.271 0.416) 3.575 36.377 ( 0.792 -4.528 -4.169) 6.206 36.517 ( 2.441 -2.302 0.281) 3.367 36.536 ( -2.966 -0.876 -0.825) 3.201 36.613 ( 1.738 -0.715 -0.246) 1.896 37.605 ( -1.003 -7.829 13.152) 15.339 37.810 ( 0.615 -11.229 6.979) 13.236 38.200 ( -0.546 10.518 -3.575) 11.122 38.450 ( -1.263 5.198 0.476) 5.370 ======================= Grid point 59 (27/64) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -19.246 9.395 3.335) 21.675 1.044 ( -15.019 10.786 -13.775) 23.058 1.298 ( -1.892 4.257 7.152) 8.535 1.370 ( -1.840 2.683 -0.971) 3.395 1.383 ( 0.083 1.601 1.991) 2.556 1.498 ( -4.338 6.099 3.690) 8.344 1.521 ( 7.594 -0.580 5.251) 9.251 1.564 ( -2.105 7.681 8.431) 11.598 1.670 ( -1.409 4.199 1.391) 4.643 1.801 ( 8.251 1.402 0.847) 8.412 1.896 ( 7.126 -4.838 -2.031) 8.849 1.980 ( -2.202 -2.042 0.892) 3.133 2.028 ( -0.337 -4.299 -0.346) 4.326 2.148 ( -3.160 -0.653 -2.184) 3.896 2.258 ( -0.120 -1.971 7.123) 7.391 2.393 ( -0.661 2.462 6.269) 6.768 2.427 ( 4.179 -0.257 3.317) 5.342 2.498 ( -4.491 6.407 3.055) 8.400 2.557 ( 1.575 7.132 3.959) 8.308 2.632 ( 1.947 5.610 9.384) 11.105 2.767 ( 4.715 -0.199 -0.085) 4.720 2.857 ( 3.756 0.631 -4.137) 5.623 2.951 ( 10.954 -0.131 -8.157) 13.659 3.017 ( 2.054 3.763 1.125) 4.432 3.245 ( -2.692 0.034 -12.707) 12.989 3.272 ( 2.690 -4.769 -1.169) 5.599 3.312 ( 8.848 0.112 3.229) 9.419 3.429 ( -4.967 -3.990 3.287) 7.169 3.526 ( 0.985 0.451 -2.241) 2.489 3.590 ( -0.548 -1.456 -0.083) 1.558 3.630 ( 2.732 9.281 -3.249) 10.206 3.712 ( 3.870 -3.828 3.904) 6.698 3.782 ( 5.923 -1.687 -6.481) 8.940 3.798 ( -0.940 -5.045 0.784) 5.192 3.903 ( 1.594 2.699 5.400) 6.244 4.032 ( 0.828 5.024 -2.273) 5.576 4.188 ( -4.695 -1.747 2.884) 5.780 4.301 ( -1.758 -0.671 -2.796) 3.370 4.359 ( 8.202 3.712 -7.807) 11.916 4.512 ( 8.884 -1.317 6.847) 11.293 4.576 ( 3.620 2.752 0.996) 4.655 4.678 ( 2.944 -1.824 1.887) 3.944 4.730 ( -1.402 -3.171 -0.201) 3.473 4.816 ( -1.791 2.971 1.358) 3.725 4.870 ( -1.688 0.735 -2.758) 3.316 4.902 ( 3.523 -4.268 -2.648) 6.135 4.967 ( 0.909 -0.432 -0.121) 1.014 5.038 ( -3.908 -1.878 2.993) 5.268 5.116 ( 1.096 -6.219 1.687) 6.536 5.136 ( 0.961 -4.420 -4.106) 6.109 5.316 ( -3.547 -0.474 5.016) 6.162 5.354 ( -0.095 -2.536 3.640) 4.437 5.433 ( -7.045 -1.079 -1.001) 7.197 5.472 ( -8.984 0.354 0.012) 8.991 5.540 ( -1.679 -3.276 -0.787) 3.764 5.614 ( 0.751 -0.693 -3.202) 3.361 5.709 ( -6.696 0.058 1.362) 6.833 5.807 ( 1.846 3.040 0.582) 3.604 5.891 ( -1.072 1.083 1.828) 2.380 5.922 ( -5.697 -0.368 -1.029) 5.801 6.061 ( 3.031 -4.032 -4.625) 6.844 6.120 ( 8.024 0.475 -3.105) 8.617 6.267 ( 1.921 2.834 0.987) 3.563 6.324 ( 1.978 -1.797 2.084) 3.389 6.425 ( -0.884 3.710 2.739) 4.696 6.496 ( 1.748 5.286 5.701) 7.968 6.602 ( -2.652 4.602 -0.355) 5.324 6.674 ( 1.594 -0.567 -1.255) 2.106 6.806 ( 5.348 1.267 -0.587) 5.527 6.928 ( -4.432 0.267 -0.740) 4.501 7.235 ( -0.349 -4.215 -4.592) 6.243 7.271 ( -2.283 -3.724 -0.178) 4.372 7.445 ( 1.358 -0.219 1.280) 1.879 7.500 ( -6.327 -0.873 2.989) 7.052 7.568 ( 1.878 3.357 -4.279) 5.754 7.594 ( 0.621 1.919 4.196) 4.655 7.800 ( -0.083 3.592 2.875) 4.602 8.032 ( 1.278 -5.363 -2.534) 6.068 8.121 ( -0.182 -1.338 0.993) 1.676 8.206 ( 2.215 -1.172 -0.921) 2.670 8.449 ( -0.053 5.109 -0.293) 5.117 8.463 ( -1.061 2.139 -0.794) 2.516 8.609 ( -0.699 -0.102 0.507) 0.870 8.647 ( 1.272 0.368 1.818) 2.249 8.696 ( -1.411 -1.339 -0.836) 2.118 8.724 ( -4.776 -0.931 0.065) 4.866 8.776 ( -0.886 1.324 -1.916) 2.492 8.852 ( 0.661 0.068 -1.257) 1.422 9.141 ( 1.815 3.356 1.162) 3.989 9.163 ( 0.008 3.644 -1.030) 3.787 9.267 ( -1.160 -1.054 -1.977) 2.523 9.293 ( 1.438 0.323 0.266) 1.498 9.596 ( -2.397 -2.082 3.847) 4.988 9.755 ( 0.616 -3.249 -4.183) 5.332 9.811 ( -2.205 -0.800 -1.609) 2.845 9.935 ( 4.276 0.503 0.177) 4.310 10.234 ( -1.701 2.262 1.971) 3.449 10.438 ( -0.389 -1.543 1.829) 2.425 10.528 ( -1.006 2.056 1.125) 2.551 10.691 ( 6.408 0.605 -1.118) 6.533 11.211 ( -1.672 -1.058 1.769) 2.654 11.237 ( 1.072 -0.694 -1.130) 1.705 11.293 ( 1.908 -1.713 -0.794) 2.684 11.344 ( 0.615 -2.616 -1.291) 2.982 11.465 ( -1.907 -0.992 -2.226) 3.094 11.478 ( -0.261 -1.573 1.307) 2.062 11.573 ( -1.914 -0.095 2.252) 2.957 11.653 ( -1.229 -1.715 -1.229) 2.442 11.799 ( 0.109 2.688 1.296) 2.986 11.915 ( -1.818 0.098 1.058) 2.105 11.986 ( 1.648 2.553 -1.980) 3.627 12.105 ( 0.318 -0.043 0.357) 0.480 12.355 ( -2.948 -0.632 3.213) 4.406 12.476 ( -1.727 -0.214 -0.837) 1.931 12.505 ( 0.143 -0.405 0.202) 0.474 12.546 ( 0.028 -1.410 -5.214) 5.402 13.042 ( -4.332 -0.478 4.432) 6.216 13.124 ( -2.786 -0.506 2.520) 3.790 13.175 ( -1.651 0.368 6.452) 6.670 13.291 ( -1.918 -1.500 0.949) 2.613 13.434 ( 1.670 -0.004 -4.046) 4.377 13.562 ( -1.877 -3.254 3.929) 5.436 13.712 ( 7.493 2.028 -8.729) 11.681 13.977 ( 2.638 0.337 -5.662) 6.256 14.071 ( -2.123 0.450 1.374) 2.568 14.242 ( -0.085 -4.333 -0.135) 4.336 14.309 ( 1.591 -0.541 1.277) 2.111 14.390 ( -7.782 0.887 4.957) 9.270 14.484 ( -3.739 -0.999 3.316) 5.096 14.591 ( 3.752 -0.065 -1.724) 4.129 14.709 ( -0.002 -0.824 -1.026) 1.316 14.866 ( -4.897 4.307 4.116) 7.711 14.972 ( 2.523 1.376 -0.034) 2.874 15.283 ( 1.230 -2.687 -1.498) 3.313 15.305 ( 1.783 2.121 3.061) 4.129 15.376 ( -0.718 3.019 -2.419) 3.934 15.425 ( 6.680 -1.051 -10.838) 12.774 15.459 ( 4.225 0.504 -0.614) 4.299 15.657 ( -2.706 -2.982 0.343) 4.042 15.749 ( 1.295 0.523 -0.064) 1.398 15.861 ( -2.031 -0.857 2.635) 3.435 16.029 ( -3.929 -4.175 6.244) 8.476 16.172 ( 4.521 4.006 -5.559) 8.209 16.320 ( 0.656 -0.731 1.258) 1.597 16.506 ( -1.509 -1.001 2.319) 2.942 16.633 ( 0.270 -2.118 5.347) 5.757 16.873 ( -0.328 1.295 -4.468) 4.664 16.923 ( 4.927 0.124 -5.847) 7.647 17.429 ( -0.477 0.767 0.132) 0.913 17.476 ( -0.051 0.219 -0.936) 0.962 17.500 ( -1.197 -0.854 0.431) 1.532 17.554 ( 0.689 -0.911 0.137) 1.150 20.451 ( -1.081 1.724 0.445) 2.083 20.561 ( 1.548 -1.275 -0.334) 2.033 20.662 ( -0.404 2.763 0.820) 2.910 20.740 ( 0.028 1.262 -2.682) 2.964 20.785 ( 0.815 0.237 -1.197) 1.467 20.839 ( 0.770 0.505 -1.485) 1.747 20.898 ( -3.064 0.240 3.669) 4.786 21.121 ( 0.793 -1.977 1.107) 2.401 21.286 ( -3.710 -1.470 5.077) 6.457 21.341 ( -1.454 -0.655 2.911) 3.319 21.498 ( 0.444 0.237 -2.119) 2.178 21.605 ( 3.427 -1.601 -3.355) 5.056 22.839 ( -0.031 4.654 5.893) 7.510 23.107 ( -2.517 -1.344 1.144) 3.074 23.192 ( 1.307 0.845 -4.311) 4.583 23.323 ( 1.570 -2.138 -3.005) 4.008 24.826 ( -5.737 -0.052 9.385) 11.000 24.956 ( -7.792 -5.925 22.406) 24.451 25.820 ( 17.133 1.050 -20.897) 27.043 26.007 ( 2.831 -2.029 -17.498) 17.842 26.844 ( -4.876 7.283 25.113) 26.599 26.954 ( -9.613 2.902 13.344) 16.701 27.805 ( 5.748 4.358 -9.321) 11.786 27.951 ( 9.001 -4.605 -20.513) 22.870 29.115 ( -0.259 -3.650 -2.962) 4.708 29.240 ( -8.005 -2.936 5.144) 9.958 29.483 ( 0.620 4.359 -12.025) 12.806 29.674 ( 3.171 -3.583 0.340) 4.797 30.107 ( -1.216 0.702 0.282) 1.432 30.199 ( 1.710 -1.281 0.162) 2.143 30.279 ( -0.348 3.017 -1.867) 3.565 30.339 ( 0.464 1.595 -1.022) 1.950 31.074 ( -0.770 3.024 1.733) 3.569 31.250 ( 0.260 -1.139 0.071) 1.170 31.321 ( 2.799 0.391 -3.138) 4.224 31.451 ( 4.330 -1.625 -5.036) 6.837 31.578 ( -4.314 1.443 6.211) 7.699 31.791 ( -4.010 -4.007 8.091) 9.879 32.092 ( 5.077 4.815 -8.858) 11.288 32.221 ( 1.008 -0.620 -7.322) 7.417 32.561 ( -7.265 1.098 8.158) 10.979 32.587 ( -5.607 -0.372 6.598) 8.666 33.080 ( 6.160 4.479 -7.943) 11.004 33.203 ( 6.948 1.145 -12.035) 13.944 33.475 ( -4.571 2.101 10.206) 11.379 33.750 ( -6.183 -1.646 6.027) 8.790 33.850 ( -0.849 -0.460 -6.059) 6.135 34.220 ( 7.253 -4.074 -1.061) 8.386 35.580 ( -0.895 0.115 2.653) 2.803 35.653 ( -0.294 -1.659 0.321) 1.715 35.715 ( 1.226 2.991 -1.048) 3.398 35.840 ( 1.998 0.678 -2.019) 2.920 35.887 ( 0.599 0.644 1.280) 1.553 35.997 ( 1.711 4.190 -3.776) 5.894 36.115 ( -2.454 0.582 0.331) 2.544 36.186 ( 0.642 2.171 0.629) 2.350 36.336 ( -2.492 -1.474 -0.502) 2.938 36.433 ( -3.832 1.201 -3.439) 5.287 36.557 ( 0.546 -2.056 1.432) 2.565 36.658 ( 2.995 -3.483 -0.802) 4.663 37.628 ( -12.249 -11.371 10.223) 19.592 37.952 ( 7.112 -7.608 6.771) 12.422 38.238 ( 3.906 9.747 6.286) 12.239 38.421 ( 0.756 4.483 -4.253) 6.226 ======================= Grid point 60 (28/64) ======================= q-point: (-0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -13.003 18.036 -0.097) 22.235 0.728 ( -13.033 22.167 3.867) 26.003 1.288 ( -10.699 17.810 12.775) 24.390 1.349 ( 0.555 3.131 -1.232) 3.410 1.399 ( -0.830 1.970 -0.696) 2.248 1.451 ( -5.312 10.631 5.043) 12.910 1.547 ( 2.659 1.114 -1.780) 3.388 1.690 ( 3.912 -0.138 0.853) 4.006 1.823 ( 5.180 1.985 4.199) 6.957 1.831 ( -5.590 -1.303 -1.729) 5.994 1.921 ( 6.831 0.380 -1.968) 7.119 1.977 ( -3.629 -1.547 4.075) 5.672 2.029 ( -0.707 0.558 -0.799) 1.204 2.152 ( 2.902 -2.167 1.326) 3.857 2.299 ( 0.116 -0.407 1.911) 1.957 2.395 ( -9.735 11.011 1.534) 14.777 2.504 ( 0.184 3.731 2.240) 4.355 2.548 ( 6.254 -3.471 4.493) 8.447 2.611 ( 6.189 0.297 3.463) 7.099 2.718 ( -3.440 2.724 0.067) 4.388 2.803 ( 0.311 1.337 -6.048) 6.202 2.834 ( 4.769 -0.263 -4.056) 6.266 2.968 ( 2.974 -4.442 -5.992) 8.031 3.046 ( 4.415 -7.790 -12.601) 15.458 3.162 ( 4.602 0.240 1.248) 4.774 3.313 ( 3.336 0.169 2.088) 3.939 3.353 ( -5.434 -2.729 -2.673) 6.642 3.380 ( 1.093 3.612 -10.397) 11.060 3.525 ( 4.408 2.497 -1.557) 5.300 3.659 ( 2.163 2.184 -2.358) 3.875 3.667 ( -0.114 1.319 7.791) 7.902 3.748 ( 3.664 -2.517 -8.631) 9.708 3.797 ( 1.468 -4.810 4.802) 6.954 3.867 ( 4.319 -2.907 3.242) 6.133 4.032 ( 3.306 -0.190 6.441) 7.242 4.074 ( 4.439 0.567 6.438) 7.840 4.168 ( 0.788 7.251 -2.417) 7.683 4.246 ( -3.188 -4.006 2.742) 5.808 4.398 ( 6.635 4.998 -7.219) 11.005 4.617 ( 1.000 1.854 -0.652) 2.205 4.647 ( -1.625 -0.038 1.140) 1.985 4.706 ( -1.560 -1.376 2.858) 3.535 4.733 ( 4.065 1.744 -3.196) 5.457 4.786 ( -2.980 -1.236 2.203) 3.907 4.826 ( 2.592 1.135 -6.270) 6.879 4.926 ( 0.116 -6.271 -4.094) 7.490 5.001 ( 3.679 -0.782 -2.122) 4.318 5.032 ( -0.374 -1.122 3.051) 3.273 5.084 ( -2.599 -6.365 -0.312) 6.883 5.142 ( 0.699 -0.886 -1.970) 2.270 5.279 ( -6.720 0.452 6.614) 9.440 5.304 ( -6.267 0.072 4.380) 7.646 5.391 ( -3.127 -1.852 4.548) 5.822 5.407 ( 1.690 -1.389 -0.135) 2.192 5.467 ( -5.468 -0.820 -1.125) 5.643 5.582 ( 5.282 1.727 -8.824) 10.428 5.633 ( -5.476 -2.209 2.826) 6.546 5.777 ( -8.064 0.164 -1.242) 8.161 5.842 ( 2.947 0.974 -3.031) 4.338 5.970 ( 3.951 0.575 6.590) 7.706 6.046 ( -2.166 -1.530 0.110) 2.655 6.181 ( 3.045 2.001 -4.214) 5.571 6.299 ( 2.190 1.782 0.045) 2.824 6.362 ( 0.612 -1.149 1.289) 1.832 6.423 ( 0.195 2.812 -2.192) 3.570 6.533 ( -2.686 1.333 3.813) 4.851 6.586 ( -3.446 0.482 4.204) 5.457 6.678 ( 4.528 -0.173 -4.902) 6.676 6.838 ( -2.504 -1.105 -4.104) 4.933 6.964 ( 8.012 1.238 3.773) 8.942 7.130 ( -4.162 -5.925 -3.635) 8.102 7.275 ( 0.304 -3.873 1.317) 4.102 7.417 ( -6.926 -1.020 2.815) 7.546 7.483 ( 0.988 -0.979 2.168) 2.576 7.534 ( 2.154 5.391 -7.905) 9.808 7.649 ( 1.235 1.901 2.651) 3.488 7.855 ( 0.560 3.729 4.183) 5.632 8.026 ( 2.787 -1.267 -5.017) 5.877 8.114 ( -0.576 -1.805 -1.060) 2.171 8.215 ( -0.441 0.657 -0.141) 0.803 8.447 ( 1.278 2.281 -0.537) 2.669 8.467 ( 2.159 2.124 -0.316) 3.045 8.576 ( -3.834 0.604 0.188) 3.886 8.628 ( -3.638 1.250 0.303) 3.858 8.634 ( -2.361 -0.689 -0.951) 2.637 8.713 ( -1.809 -3.770 0.725) 4.244 8.767 ( 1.416 0.299 -0.054) 1.448 8.827 ( -1.231 -0.400 -1.825) 2.238 9.140 ( -0.867 3.891 -1.447) 4.241 9.172 ( 1.305 3.475 -0.956) 3.833 9.253 ( 0.599 -1.465 1.225) 2.001 9.321 ( 0.890 0.945 0.763) 1.506 9.572 ( -3.584 -0.641 0.934) 3.759 9.726 ( 1.622 -0.557 -4.890) 5.182 9.793 ( 0.083 -3.432 2.252) 4.105 9.993 ( 1.656 0.666 1.313) 2.216 10.241 ( 0.416 2.110 1.306) 2.516 10.449 ( 0.771 1.196 -0.483) 1.503 10.524 ( -2.003 1.135 2.299) 3.254 10.773 ( 6.043 0.988 -3.705) 7.157 11.197 ( -2.527 -1.328 1.535) 3.241 11.245 ( 2.199 -1.387 -1.927) 3.236 11.315 ( 1.401 -1.395 -1.069) 2.248 11.347 ( 0.896 -2.785 -1.103) 3.126 11.421 ( -1.049 -1.843 0.470) 2.172 11.488 ( -0.429 -1.196 1.790) 2.195 11.557 ( -2.760 0.612 2.168) 3.563 11.611 ( -1.719 -1.583 -1.030) 2.554 11.824 ( 0.571 1.993 2.490) 3.240 11.902 ( -2.763 0.366 2.778) 3.935 12.009 ( 3.569 0.419 -1.832) 4.034 12.099 ( 0.358 -0.456 -2.808) 2.867 12.316 ( -5.601 0.457 3.745) 6.754 12.474 ( 0.135 -0.312 -1.040) 1.094 12.505 ( 1.160 -1.078 2.086) 2.619 12.544 ( 1.808 -0.760 1.117) 2.257 13.006 ( -3.822 1.117 2.992) 4.980 13.116 ( -2.155 -0.995 2.293) 3.300 13.233 ( -1.618 -5.723 6.117) 8.532 13.313 ( -4.779 -6.695 12.781) 15.199 13.415 ( 1.723 0.635 -4.454) 4.817 13.548 ( -2.912 -2.671 1.303) 4.161 13.755 ( 9.133 2.008 -8.316) 12.514 14.004 ( 9.838 2.031 -9.890) 14.097 14.069 ( -1.456 0.626 3.886) 4.197 14.223 ( -2.887 -2.747 0.042) 3.985 14.310 ( -6.490 -0.491 5.318) 8.405 14.348 ( 3.395 -0.474 -2.271) 4.112 14.464 ( -3.164 -2.267 3.188) 5.032 14.632 ( -0.547 -3.938 -0.195) 3.981 14.686 ( -0.519 2.515 -1.354) 2.903 14.835 ( -4.233 3.900 4.334) 7.205 14.991 ( -1.544 -1.536 -0.612) 2.262 15.288 ( 1.692 -0.927 -2.493) 3.153 15.348 ( 2.428 2.159 -1.491) 3.575 15.396 ( 3.508 0.755 0.446) 3.616 15.424 ( 3.513 3.189 -6.012) 7.659 15.566 ( -2.943 -0.041 -3.183) 4.336 15.596 ( 12.678 4.363 5.227) 14.391 15.797 ( 0.654 -2.990 4.482) 5.427 15.845 ( -1.407 1.618 -1.024) 2.376 16.010 ( -5.626 -2.863 4.968) 8.033 16.171 ( 3.860 2.037 -6.481) 7.814 16.369 ( 1.205 -0.714 4.442) 4.657 16.490 ( -1.929 -1.427 -0.195) 2.408 16.682 ( -1.176 -2.580 4.791) 5.567 16.826 ( 1.142 1.466 -5.130) 5.456 16.914 ( 2.520 0.170 -6.331) 6.816 17.428 ( -0.363 1.093 1.380) 1.798 17.468 ( -0.238 0.265 -0.062) 0.362 17.475 ( -1.517 -0.707 -0.914) 1.907 17.565 ( 0.319 -1.209 0.297) 1.286 20.451 ( 0.505 2.183 0.624) 2.326 20.571 ( 0.194 -1.363 -0.996) 1.699 20.651 ( -0.886 1.539 -0.345) 1.809 20.688 ( -2.196 2.090 -2.671) 4.040 20.792 ( 1.175 -0.353 -0.530) 1.336 20.845 ( 0.492 1.851 -0.038) 1.916 20.882 ( -3.539 -0.080 3.580) 5.034 21.130 ( -0.308 -1.273 -0.467) 1.391 21.271 ( -4.628 -3.369 4.657) 7.380 21.339 ( -1.834 -0.770 1.581) 2.541 21.485 ( 0.713 0.414 -2.113) 2.268 21.616 ( 2.867 -1.931 -4.093) 5.357 22.902 ( 0.930 3.957 3.554) 5.399 23.079 ( -2.122 -1.666 1.281) 2.987 23.174 ( 1.896 1.863 -3.786) 4.626 23.304 ( 0.216 -0.863 -2.892) 3.025 24.826 ( -5.374 0.156 7.750) 9.432 25.101 ( -13.695 -21.069 31.452) 40.258 25.827 ( 9.269 0.192 -18.085) 20.323 25.964 ( 16.632 -1.054 -19.607) 25.733 26.867 ( -15.976 0.213 19.179) 24.962 27.321 ( 23.069 13.175 19.952) 33.224 27.746 ( 4.595 3.325 -15.623) 16.621 27.882 ( 6.155 2.493 -14.678) 16.110 28.980 ( -7.919 3.417 -7.164) 11.212 29.165 ( -8.238 -1.368 7.943) 11.525 29.372 ( 4.141 6.643 -7.146) 10.599 29.717 ( 0.967 -6.099 0.847) 6.233 30.104 ( -0.202 1.320 1.366) 1.910 30.213 ( -1.577 0.376 0.502) 1.697 30.265 ( 2.374 0.955 -0.314) 2.578 30.321 ( -0.857 0.896 -1.517) 1.959 31.096 ( -0.496 4.023 2.610) 4.820 31.275 ( 1.983 -2.311 2.034) 3.662 31.328 ( 2.588 0.473 -3.783) 4.608 31.472 ( 4.811 -0.803 -5.024) 7.002 31.586 ( -3.435 0.909 7.050) 7.895 31.802 ( -5.052 -5.472 8.018) 10.943 32.083 ( 4.041 5.210 -6.598) 9.328 32.163 ( 2.672 0.208 -7.843) 8.288 32.540 ( -5.665 0.814 7.771) 9.651 32.591 ( -4.946 0.483 10.663) 11.764 33.117 ( 9.423 4.583 -9.231) 13.964 33.198 ( 6.966 2.027 -8.981) 11.545 33.502 ( -4.870 0.598 9.464) 10.660 33.676 ( -5.672 -3.741 -2.629) 7.285 33.798 ( -1.621 4.017 0.601) 4.373 34.296 ( 4.539 -4.263 -3.208) 7.005 35.600 ( -0.392 0.146 2.697) 2.729 35.650 ( -0.236 -1.515 0.048) 1.534 35.716 ( 0.382 2.325 -1.364) 2.723 35.857 ( 1.940 -0.077 -1.748) 2.612 35.925 ( 2.406 2.028 2.621) 4.096 35.984 ( 1.459 2.671 -3.853) 4.910 36.060 ( -2.349 0.037 -3.567) 4.271 36.196 ( -0.608 -0.118 1.769) 1.874 36.292 ( -4.149 -0.155 3.155) 5.215 36.347 ( -2.077 1.697 -3.345) 4.288 36.573 ( -0.950 -2.593 1.626) 3.205 36.692 ( 2.594 -3.956 -1.304) 4.907 37.466 ( -15.432 -10.049 4.446) 18.945 38.131 ( 5.927 -8.197 2.836) 10.505 38.302 ( 0.790 7.081 -11.233) 13.302 38.495 ( 5.691 3.280 9.606) 11.637 ======================= Grid point 61 (29/64) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 3.083 16.793 5.243) 17.861 1.181 ( 3.759 21.410 -6.271) 22.624 1.383 ( -1.378 1.717 -2.453) 3.296 1.390 ( -0.433 2.383 -3.351) 4.135 1.404 ( 0.234 3.642 -0.257) 3.658 1.597 ( 0.203 3.927 -1.809) 4.328 1.634 ( -2.824 2.719 -2.788) 4.811 1.685 ( -0.325 0.434 2.402) 2.462 1.774 ( 1.772 0.186 1.668) 2.440 1.895 ( -0.969 -5.448 3.763) 6.691 1.958 ( -0.885 3.951 1.054) 4.184 2.066 ( 3.625 0.866 5.195) 6.393 2.146 ( 1.416 -1.082 2.223) 2.849 2.175 ( -3.046 1.902 -1.620) 3.940 2.315 ( 4.697 3.169 -5.164) 7.666 2.394 ( -4.338 -0.187 -0.291) 4.351 2.530 ( -2.901 2.712 -5.794) 7.025 2.566 ( 0.869 7.426 -1.295) 7.588 2.637 ( -4.309 -1.051 -10.966) 11.829 2.679 ( -0.777 6.729 -4.178) 7.958 2.776 ( -2.284 4.645 -5.811) 7.782 2.869 ( 5.162 5.499 -6.396) 9.889 2.957 ( 2.754 1.717 -4.960) 5.927 3.044 ( 1.210 -1.563 2.764) 3.398 3.093 ( -2.078 -7.747 6.522) 10.337 3.198 ( -0.439 -0.518 -2.443) 2.535 3.299 ( -0.520 -2.927 3.469) 4.569 3.453 ( 2.344 3.235 -2.892) 4.932 3.504 ( 3.545 -3.799 3.866) 6.476 3.614 ( -2.650 -0.105 -7.910) 8.342 3.683 ( -6.111 -2.415 7.677) 10.105 3.817 ( -2.059 2.957 4.413) 5.697 3.837 ( 2.858 2.483 -0.440) 3.812 3.879 ( -2.385 -5.213 8.362) 10.138 4.055 ( -1.845 -7.349 7.956) 10.987 4.099 ( -1.246 -5.159 4.398) 6.892 4.184 ( 1.895 0.328 2.575) 3.214 4.304 ( -1.722 0.313 0.241) 1.767 4.515 ( 1.400 3.801 -5.583) 6.897 4.515 ( -4.190 0.343 -4.946) 6.491 4.625 ( 0.319 -2.712 -3.983) 4.829 4.663 ( -2.959 -3.250 -3.532) 5.639 4.717 ( 0.069 -0.221 -4.322) 4.328 4.779 ( -0.481 1.838 3.287) 3.796 4.808 ( 5.505 -3.007 -5.497) 8.341 4.894 ( -1.595 -1.128 -0.194) 1.963 4.912 ( -0.141 3.539 -1.031) 3.689 5.019 ( 3.648 -0.161 -2.227) 4.277 5.104 ( 1.045 0.915 -1.684) 2.183 5.152 ( 2.176 3.923 -0.488) 4.512 5.248 ( -8.079 -4.970 -0.172) 9.487 5.290 ( -0.670 -2.725 2.447) 3.724 5.382 ( -0.482 4.348 4.300) 6.134 5.400 ( 2.051 1.033 -3.680) 4.338 5.453 ( 3.392 -0.648 2.265) 4.130 5.557 ( 0.597 1.919 3.021) 3.628 5.652 ( 5.790 -0.907 -6.794) 8.973 5.681 ( -4.221 1.172 3.204) 5.427 5.864 ( -0.135 1.049 1.266) 1.650 5.923 ( -4.811 -0.065 -1.844) 5.152 6.069 ( -0.164 -4.226 1.415) 4.460 6.146 ( 5.253 -5.884 -7.036) 10.570 6.315 ( -2.092 -2.436 1.488) 3.539 6.347 ( 4.286 -1.654 -1.073) 4.718 6.500 ( 1.793 3.323 -1.592) 4.098 6.521 ( -4.279 2.749 2.911) 5.860 6.598 ( -0.253 1.294 4.490) 4.680 6.629 ( 3.213 -0.596 -4.925) 5.910 6.801 ( 0.403 -1.754 2.787) 3.317 6.897 ( 0.358 -7.398 -1.769) 7.615 7.105 ( -3.187 0.415 5.532) 6.398 7.211 ( -1.523 -3.520 2.342) 4.494 7.386 ( -1.984 2.914 1.708) 3.917 7.485 ( -1.240 -1.876 4.032) 4.616 7.587 ( 1.042 5.454 -6.480) 8.534 7.701 ( 0.551 0.505 -1.580) 1.748 7.918 ( -1.404 2.464 1.339) 3.136 8.034 ( 1.491 0.352 0.082) 1.534 8.076 ( -0.429 0.239 -1.949) 2.010 8.211 ( 1.535 -2.177 -0.597) 2.729 8.518 ( 0.995 1.587 0.268) 1.892 8.531 ( 1.497 1.534 0.557) 2.215 8.554 ( 0.349 1.706 -0.485) 1.807 8.580 ( -2.024 1.096 -0.116) 2.305 8.663 ( -0.381 0.192 2.012) 2.056 8.666 ( -0.069 0.058 0.150) 0.175 8.769 ( 0.243 0.685 -1.537) 1.701 8.798 ( 1.984 -0.915 -1.158) 2.473 9.182 ( -0.022 2.458 -0.525) 2.513 9.215 ( 0.424 1.003 -0.943) 1.441 9.287 ( 0.331 1.196 1.741) 2.138 9.340 ( -0.464 -0.015 -0.245) 0.525 9.545 ( -1.937 2.347 0.160) 3.047 9.679 ( 0.581 -4.009 0.703) 4.111 9.826 ( 3.015 3.010 -2.611) 4.997 9.988 ( 0.945 -3.261 -1.472) 3.701 10.315 ( -1.481 3.639 2.242) 4.523 10.447 ( -2.464 -2.364 2.383) 4.164 10.569 ( 0.065 5.388 -2.558) 5.964 10.761 ( 1.616 -3.386 -4.838) 6.122 11.171 ( -0.871 0.552 0.484) 1.139 11.230 ( 1.826 -1.779 -0.510) 2.600 11.290 ( -0.649 -1.111 -0.875) 1.556 11.311 ( 0.683 -0.696 0.216) 0.999 11.385 ( 1.082 -2.235 0.802) 2.609 11.443 ( -0.485 -3.644 0.203) 3.682 11.550 ( -1.353 0.404 2.061) 2.498 11.566 ( -0.144 -0.854 0.478) 0.990 11.894 ( -0.260 1.199 2.950) 3.195 11.900 ( -2.562 1.296 2.717) 3.953 12.047 ( 2.397 0.119 -0.763) 2.518 12.065 ( 1.025 -0.423 -2.930) 3.133 12.334 ( -2.623 3.670 4.204) 6.167 12.462 ( 1.301 -0.260 0.340) 1.370 12.511 ( -0.798 -3.084 4.011) 5.122 12.555 ( 0.968 -2.286 2.286) 3.375 13.031 ( -1.579 1.380 4.254) 4.742 13.081 ( -3.270 -1.449 4.938) 6.098 13.200 ( -1.292 -0.307 5.677) 5.830 13.255 ( -2.347 -1.795 5.382) 6.139 13.414 ( 1.767 2.103 -5.086) 5.780 13.504 ( 0.235 -2.020 -1.035) 2.282 13.863 ( 9.289 2.407 -10.390) 14.143 13.974 ( 7.452 -2.438 -14.535) 16.515 14.117 ( -1.049 1.326 3.600) 3.977 14.159 ( -2.018 -0.116 1.226) 2.364 14.246 ( -6.077 -0.140 3.645) 7.088 14.331 ( 0.501 -2.336 -2.427) 3.405 14.401 ( -3.617 0.096 1.956) 4.113 14.506 ( -2.159 -3.534 0.601) 4.185 14.752 ( 0.956 1.847 -0.100) 2.082 14.836 ( -0.154 -2.455 0.719) 2.563 15.015 ( -0.058 6.251 1.936) 6.544 15.248 ( 2.696 -3.505 -2.467) 5.064 15.360 ( 1.255 -1.037 -4.661) 4.937 15.395 ( -1.722 0.116 -3.284) 3.710 15.448 ( -2.559 2.352 -0.769) 3.560 15.514 ( 0.299 0.862 -2.562) 2.719 15.769 ( -1.904 -2.250 4.396) 5.293 15.814 ( 1.595 -3.232 5.093) 6.239 15.883 ( -1.793 3.099 -0.480) 3.612 15.968 ( -2.236 -1.584 4.043) 4.884 16.209 ( 4.979 2.402 -4.954) 7.423 16.351 ( 4.024 -5.149 -5.675) 8.655 16.484 ( -4.206 2.774 6.706) 8.388 16.615 ( -5.055 -3.704 4.891) 7.950 16.850 ( 3.721 2.433 -4.512) 6.335 16.918 ( 4.501 -0.922 -3.565) 5.816 17.446 ( -0.660 0.271 -0.037) 0.715 17.468 ( 0.235 -0.416 -0.349) 0.591 17.475 ( 0.243 1.272 1.932) 2.326 17.538 ( -0.076 -1.794 0.289) 1.819 20.485 ( -0.448 1.576 0.093) 1.641 20.538 ( -0.855 -1.258 -0.175) 1.531 20.676 ( -1.113 1.497 -0.867) 2.057 20.695 ( 2.550 0.596 -0.243) 2.630 20.819 ( 0.004 1.232 1.713) 2.110 20.865 ( -1.645 -0.688 3.593) 4.011 20.900 ( -1.102 3.690 0.398) 3.871 21.055 ( -1.973 -3.715 0.258) 4.215 21.254 ( -0.576 1.361 1.421) 2.050 21.309 ( -0.724 -1.104 0.588) 1.446 21.490 ( 1.537 1.031 -2.744) 3.309 21.564 ( 2.081 -2.713 -4.045) 5.297 22.974 ( -1.801 2.351 2.581) 3.929 23.050 ( -0.593 -1.744 3.083) 3.591 23.215 ( 1.847 2.235 -2.542) 3.856 23.280 ( 1.222 -0.907 -2.410) 2.850 24.825 ( -5.976 0.468 8.307) 10.244 24.898 ( -10.150 -4.679 14.256) 18.114 25.801 ( 10.855 2.273 -19.467) 22.404 25.958 ( 16.293 -5.305 -20.776) 26.930 26.887 ( -14.837 7.215 18.809) 25.019 27.247 ( -11.689 -5.859 2.481) 13.309 27.992 ( 6.924 5.034 -3.920) 9.416 28.045 ( 8.610 0.134 -1.240) 8.700 28.964 ( -2.374 3.267 1.178) 4.207 29.100 ( -3.125 -3.317 2.363) 5.134 29.489 ( 5.812 -2.777 1.434) 6.599 29.589 ( 1.278 -7.097 -0.356) 7.220 30.159 ( -0.728 1.907 2.088) 2.920 30.202 ( -1.382 -0.481 1.084) 1.821 30.304 ( 0.284 0.668 -0.800) 1.081 30.321 ( 3.321 -0.390 0.083) 3.345 31.179 ( -2.006 4.329 0.235) 4.777 31.277 ( -0.413 1.282 0.699) 1.517 31.303 ( 1.722 -3.433 -1.850) 4.263 31.451 ( 1.224 -3.189 -3.677) 5.018 31.629 ( -2.941 1.291 6.593) 7.333 31.709 ( -3.930 -3.520 6.412) 8.304 32.143 ( 6.807 1.817 -9.334) 11.694 32.177 ( 7.280 0.658 -8.911) 11.525 32.574 ( -6.583 2.616 11.043) 13.120 32.633 ( -7.060 0.217 12.482) 14.342 33.176 ( 5.315 1.925 -7.998) 9.794 33.263 ( 7.275 -1.564 -6.716) 10.023 33.483 ( -5.909 1.026 3.500) 6.944 33.573 ( -0.142 -3.267 4.301) 5.403 33.901 ( 0.105 6.454 -0.491) 6.474 34.184 ( 0.875 -7.101 -4.836) 8.635 35.609 ( -1.790 -0.170 2.148) 2.802 35.623 ( -0.623 -1.138 0.784) 1.516 35.755 ( 2.084 2.750 -3.760) 5.104 35.840 ( 1.249 -1.278 -3.940) 4.327 35.969 ( -2.112 2.858 1.730) 3.953 36.062 ( 4.491 2.323 1.589) 5.300 36.121 ( 3.651 3.753 -2.107) 5.644 36.178 ( -2.141 -1.186 3.022) 3.889 36.259 ( -2.576 -0.263 2.138) 3.358 36.308 ( 0.147 -1.674 0.445) 1.739 36.475 ( -2.448 -2.953 1.275) 4.042 36.578 ( -0.035 -6.391 -2.553) 6.882 37.448 ( -1.096 10.589 0.191) 10.647 37.864 ( -3.557 -9.771 -9.908) 14.363 38.439 ( 0.638 7.815 1.485) 7.981 38.600 ( -1.161 -0.462 2.358) 2.669 ======================= Grid point 62 (30/64) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 1.636 13.798 -1.537) 13.980 1.200 ( 1.759 9.164 2.792) 9.740 1.314 ( -0.250 3.810 -3.830) 5.408 1.333 ( -2.144 1.966 -1.593) 3.317 1.447 ( 1.037 5.986 0.461) 6.093 1.547 ( -0.175 5.489 -1.606) 5.722 1.602 ( 1.196 3.312 -1.589) 3.864 1.691 ( -3.655 1.644 2.189) 4.567 1.809 ( 1.748 -1.604 -0.912) 2.542 1.906 ( -5.151 -0.986 4.925) 7.195 1.921 ( -2.379 -1.574 -5.687) 6.363 2.062 ( -5.390 -2.211 4.044) 7.092 2.159 ( -2.823 0.758 4.639) 5.483 2.180 ( 0.867 -0.129 3.978) 4.073 2.278 ( 0.105 2.644 -7.162) 7.635 2.325 ( 2.075 5.524 -4.149) 7.214 2.393 ( -4.019 -2.334 -7.906) 9.171 2.475 ( -0.082 5.773 -9.253) 10.907 2.577 ( -2.681 12.391 0.204) 12.679 2.663 ( -1.629 4.545 2.189) 5.301 2.719 ( 1.818 1.400 -4.245) 4.826 2.908 ( 4.689 6.801 -1.176) 8.344 2.960 ( 6.589 1.180 -7.101) 9.758 3.011 ( -3.158 -4.882 0.778) 5.866 3.123 ( -1.735 -4.922 5.761) 7.773 3.163 ( -6.728 -3.452 -5.758) 9.505 3.310 ( 3.096 5.821 1.510) 6.764 3.473 ( -3.319 1.026 -1.428) 3.756 3.519 ( 0.883 0.035 4.191) 4.283 3.628 ( 3.214 -5.078 3.416) 6.913 3.655 ( -8.406 -6.060 10.079) 14.456 3.767 ( -1.279 3.428 -5.136) 6.306 3.835 ( -2.314 2.167 -0.541) 3.216 3.886 ( -2.101 -1.092 1.759) 2.949 4.079 ( -5.900 -2.463 6.395) 9.043 4.112 ( -3.702 -0.528 2.196) 4.337 4.188 ( -9.313 0.413 -1.325) 9.416 4.219 ( -2.350 -4.343 7.604) 9.067 4.415 ( -1.600 -2.018 -4.229) 4.952 4.491 ( 0.178 -0.393 -5.171) 5.189 4.554 ( -0.812 -3.859 -3.992) 5.611 4.600 ( -0.229 -5.573 -2.491) 6.108 4.676 ( 1.587 0.148 -3.154) 3.534 4.803 ( -0.373 -0.234 3.207) 3.238 4.874 ( 4.491 -1.515 -0.733) 4.796 4.898 ( 3.079 0.528 0.026) 3.124 4.949 ( -0.346 -1.063 2.237) 2.501 5.013 ( -3.155 0.267 -0.706) 3.244 5.078 ( -3.646 0.362 -2.910) 4.679 5.110 ( 2.524 3.049 -2.696) 4.789 5.210 ( 4.546 3.244 -2.312) 6.045 5.304 ( 1.119 0.676 1.362) 1.888 5.402 ( -0.284 0.001 -3.297) 3.309 5.462 ( 2.006 3.679 3.973) 5.774 5.521 ( 6.244 -1.914 -0.666) 6.565 5.564 ( -1.502 -3.232 3.334) 4.881 5.675 ( 1.125 -2.441 0.375) 2.714 5.685 ( -1.385 -2.423 0.099) 2.793 5.839 ( -0.505 2.475 -3.226) 4.097 5.916 ( 3.994 0.473 1.800) 4.406 6.031 ( -1.295 -5.602 -3.623) 6.796 6.149 ( 3.710 -4.451 -6.933) 9.036 6.309 ( -1.885 1.560 3.512) 4.281 6.403 ( 1.152 0.657 0.511) 1.422 6.471 ( -1.909 3.726 -2.054) 4.664 6.499 ( -2.151 1.963 0.917) 3.053 6.596 ( 2.510 2.663 -3.564) 5.109 6.697 ( 3.283 -2.815 2.815) 5.160 6.872 ( 0.490 0.057 6.785) 6.803 6.919 ( 4.129 -4.024 -1.868) 6.061 7.111 ( -0.971 -2.180 2.814) 3.690 7.214 ( -0.257 -2.716 2.160) 3.480 7.391 ( 0.002 2.897 1.863) 3.445 7.504 ( 0.078 -0.003 1.600) 1.602 7.546 ( 0.152 3.483 -2.281) 4.166 7.666 ( -2.148 1.186 -2.186) 3.286 7.896 ( -1.739 1.725 0.243) 2.461 8.036 ( -3.715 -2.218 0.247) 4.334 8.049 ( 1.258 3.559 -0.504) 3.809 8.218 ( 0.222 -2.004 -1.092) 2.293 8.523 ( -0.438 2.087 0.316) 2.156 8.550 ( 0.673 3.537 -0.536) 3.640 8.574 ( 2.477 -0.311 0.140) 2.500 8.606 ( 2.596 0.399 -0.342) 2.648 8.666 ( 0.479 0.086 2.268) 2.320 8.695 ( 0.792 -0.677 1.143) 1.547 8.775 ( 3.181 2.263 -2.084) 4.425 8.827 ( 3.378 -0.812 -1.828) 3.926 9.183 ( 0.584 2.343 -0.539) 2.474 9.204 ( -0.652 2.284 -0.816) 2.511 9.303 ( -1.026 -0.676 1.304) 1.792 9.317 ( -1.613 -0.733 0.132) 1.776 9.530 ( -0.005 3.074 0.522) 3.118 9.696 ( 1.834 -2.896 -1.411) 3.706 9.843 ( 0.996 0.134 -0.546) 1.144 9.968 ( -0.712 -3.311 -2.425) 4.166 10.308 ( -2.551 2.503 2.697) 4.477 10.418 ( -4.646 -2.314 3.800) 6.433 10.541 ( 0.643 5.068 -2.980) 5.914 10.713 ( -1.331 -2.871 -3.955) 5.065 11.177 ( 0.700 1.366 0.826) 1.744 11.255 ( 1.680 -2.652 -1.271) 3.387 11.270 ( -0.421 -0.180 0.173) 0.489 11.310 ( -0.868 -0.115 -0.416) 0.969 11.401 ( 0.757 -1.884 -0.150) 2.036 11.461 ( 1.850 -3.500 0.555) 3.998 11.550 ( -0.923 0.424 1.071) 1.476 11.589 ( 1.793 -1.182 0.513) 2.208 11.879 ( -2.720 2.508 2.296) 4.355 11.926 ( 0.095 0.161 2.350) 2.358 12.056 ( 1.401 0.562 -2.515) 2.934 12.077 ( 1.741 -0.252 -0.252) 1.777 12.344 ( -1.454 4.091 3.531) 5.597 12.494 ( 2.063 1.734 0.263) 2.708 12.538 ( -1.223 -4.842 3.461) 6.076 12.587 ( 0.313 -2.147 1.526) 2.652 13.065 ( -1.262 0.795 5.592) 5.787 13.087 ( -2.332 -0.463 4.478) 5.070 13.248 ( -0.832 0.546 5.699) 5.786 13.280 ( -0.735 -0.590 3.299) 3.431 13.392 ( 2.465 2.385 -4.779) 5.882 13.497 ( 0.293 -2.583 -0.997) 2.784 13.839 ( 3.789 2.308 -12.894) 13.636 13.947 ( 7.065 -2.678 -11.097) 13.425 14.141 ( -1.997 -0.032 3.771) 4.268 14.149 ( -0.357 0.852 2.521) 2.685 14.195 ( -4.649 -0.540 2.706) 5.407 14.328 ( 0.173 -4.440 1.212) 4.605 14.387 ( 0.411 0.506 0.178) 0.676 14.495 ( -0.080 -3.736 0.467) 3.766 14.769 ( 1.283 1.434 -0.452) 1.977 14.862 ( 2.026 -2.935 0.057) 3.567 15.037 ( -1.057 6.343 3.500) 7.321 15.269 ( 2.045 -4.047 -2.018) 4.964 15.312 ( -1.372 0.778 -2.324) 2.809 15.346 ( 0.862 -0.372 -3.948) 4.058 15.383 ( -2.117 2.529 -2.677) 4.248 15.496 ( 0.223 -1.141 -1.827) 2.165 15.751 ( -3.435 0.288 1.745) 3.864 15.849 ( -3.328 3.507 3.208) 5.802 15.855 ( -3.842 -6.463 6.115) 9.692 15.949 ( -3.477 -1.693 1.438) 4.126 16.246 ( 4.393 1.779 -3.779) 6.062 16.332 ( 2.741 -2.539 -7.219) 8.128 16.490 ( -3.864 1.243 6.420) 7.595 16.567 ( -5.992 -2.549 3.625) 7.453 16.873 ( 4.559 2.791 -4.397) 6.921 16.954 ( 3.798 -1.141 -3.317) 5.170 17.443 ( -0.065 0.266 0.309) 0.413 17.468 ( 0.316 -0.781 -0.426) 0.944 17.502 ( 0.266 0.452 1.821) 1.895 17.538 ( -0.086 -1.175 -0.093) 1.182 20.485 ( -0.113 1.745 0.707) 1.886 20.531 ( 0.621 -0.609 -0.025) 0.870 20.662 ( 0.392 2.249 -0.810) 2.423 20.744 ( 3.668 -1.879 -1.204) 4.293 20.824 ( -1.191 2.062 1.247) 2.688 20.878 ( -2.113 0.065 3.863) 4.404 20.892 ( -0.712 2.317 1.012) 2.627 21.021 ( -1.560 -3.595 -0.707) 3.982 21.268 ( 0.071 1.349 1.587) 2.084 21.311 ( -0.391 -0.884 1.504) 1.788 21.492 ( 2.358 0.866 -2.788) 3.752 21.552 ( 2.142 -2.368 -4.437) 5.466 22.955 ( -3.821 4.710 2.663) 6.624 23.079 ( -0.311 -1.990 3.094) 3.692 23.220 ( 2.027 1.290 -2.341) 3.354 23.274 ( 1.442 -1.425 -2.808) 3.463 24.815 ( -6.589 0.630 8.924) 11.110 24.881 ( -8.543 -2.793 11.394) 14.513 25.779 ( 12.729 3.386 -20.172) 24.092 26.003 ( 14.938 -8.394 -18.402) 25.144 26.836 ( -15.734 7.445 18.441) 25.359 27.087 ( -13.850 -0.920 9.426) 16.778 28.003 ( 1.494 7.279 -5.058) 8.989 28.116 ( 4.691 -0.910 -5.218) 7.075 28.990 ( 1.071 -0.453 3.183) 3.388 29.092 ( -0.651 -5.480 2.103) 5.906 29.562 ( 1.964 -4.030 -0.711) 4.540 29.619 ( 2.806 -6.621 -1.355) 7.317 30.158 ( -1.712 0.929 2.224) 2.956 30.185 ( -1.842 -0.881 0.731) 2.169 30.322 ( 2.391 2.039 -1.237) 3.378 30.368 ( 2.563 -0.364 -1.270) 2.884 31.154 ( -1.931 2.669 1.638) 3.679 31.258 ( -1.733 0.929 -0.549) 2.042 31.313 ( 0.360 -3.368 -0.083) 3.388 31.419 ( 1.175 -2.338 -4.084) 4.850 31.649 ( -3.711 0.541 6.628) 7.616 31.707 ( -3.743 -2.053 4.881) 6.485 32.161 ( 7.726 2.089 -9.926) 12.750 32.211 ( 7.783 -0.540 -8.510) 11.545 32.594 ( -5.810 2.326 11.161) 12.796 32.641 ( -8.055 0.433 12.268) 14.683 33.174 ( 5.111 2.956 -8.149) 10.063 33.286 ( 5.504 -1.101 -8.233) 9.965 33.453 ( -3.284 3.675 5.148) 7.127 33.648 ( 1.850 -5.748 5.356) 8.071 33.894 ( -0.343 4.003 -0.183) 4.022 34.116 ( -1.811 -6.185 -5.883) 8.726 35.593 ( -2.602 -0.029 2.030) 3.300 35.620 ( -0.844 -1.679 0.859) 2.066 35.757 ( 2.857 2.408 -3.477) 5.104 35.825 ( 1.394 -1.174 -2.463) 3.064 35.957 ( -1.625 4.934 1.368) 5.372 36.118 ( 3.715 6.265 -1.163) 7.376 36.182 ( 0.062 -1.163 0.900) 1.472 36.198 ( 3.070 -0.144 0.074) 3.075 36.266 ( 1.386 -0.557 1.148) 1.884 36.327 ( 1.374 -1.698 0.326) 2.208 36.458 ( -0.333 -1.928 1.034) 2.213 36.568 ( 1.480 -6.247 -0.596) 6.447 37.445 ( -2.084 5.850 3.083) 6.933 37.673 ( -4.849 -5.873 -8.812) 11.648 38.470 ( -1.429 6.615 4.429) 8.089 38.562 ( -3.107 2.229 -0.925) 3.934 ======================= Grid point 63 (31/64) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 1.337 11.518 -1.633) 11.710 1.253 ( -1.106 -0.382 1.274) 1.730 1.288 ( 0.625 3.324 2.310) 4.096 1.316 ( -0.092 3.290 -0.065) 3.291 1.429 ( -0.245 6.272 0.669) 6.312 1.547 ( -0.719 3.529 -2.561) 4.419 1.634 ( 1.537 1.167 1.262) 2.306 1.663 ( -1.050 2.669 -0.547) 2.920 1.751 ( -3.030 3.855 -1.374) 5.092 1.819 ( -2.325 -2.253 0.900) 3.360 1.903 ( -0.494 -0.222 3.537) 3.579 2.075 ( -4.666 0.437 1.015) 4.795 2.146 ( -2.883 2.338 -1.740) 4.100 2.163 ( -4.029 1.776 -9.396) 10.376 2.213 ( 1.747 -2.323 0.274) 2.919 2.276 ( 1.827 -2.987 -0.903) 3.616 2.363 ( 2.116 6.465 4.039) 7.911 2.448 ( 7.629 2.464 -7.902) 11.257 2.538 ( -2.099 8.209 1.419) 8.591 2.627 ( -5.989 3.195 2.865) 7.368 2.734 ( 2.711 1.444 1.070) 3.253 2.912 ( -3.637 1.416 -6.978) 7.995 2.967 ( -7.582 3.592 5.320) 9.935 2.993 ( 4.050 2.835 -2.830) 5.697 3.041 ( 5.891 -3.663 -1.160) 7.033 3.169 ( -0.961 -2.426 4.888) 5.541 3.371 ( -1.203 2.864 2.427) 3.942 3.444 ( 1.778 1.714 1.232) 2.760 3.518 ( -3.960 -3.041 0.498) 5.018 3.618 ( -4.921 -3.270 0.445) 5.926 3.678 ( -5.497 2.452 2.025) 6.350 3.732 ( 3.084 -0.921 4.280) 5.355 3.777 ( -2.445 -2.873 -2.505) 4.528 3.886 ( 1.376 0.717 2.290) 2.766 4.004 ( -5.680 3.304 0.411) 6.584 4.018 ( -5.392 1.173 -2.724) 6.153 4.140 ( 0.909 -1.333 5.865) 6.083 4.275 ( -0.929 0.029 1.051) 1.403 4.355 ( -5.855 -1.660 3.783) 7.166 4.372 ( -4.502 -6.478 -0.579) 7.910 4.550 ( 1.704 -0.521 -3.111) 3.585 4.615 ( 1.847 -5.960 1.816) 6.498 4.683 ( 2.371 0.057 -2.460) 3.417 4.812 ( -1.076 4.219 -0.925) 4.451 4.860 ( -4.030 -5.663 1.934) 7.215 4.925 ( 0.294 -4.154 -1.535) 4.439 4.955 ( -5.790 -2.753 3.926) 7.518 4.983 ( 3.925 -2.251 -1.874) 4.898 5.027 ( -0.851 3.155 0.635) 3.329 5.169 ( 6.288 8.495 -3.680) 11.191 5.226 ( 2.250 1.201 -3.862) 4.628 5.317 ( -1.293 3.245 -0.715) 3.566 5.393 ( 5.420 -1.853 -1.186) 5.850 5.557 ( -1.778 -0.874 5.931) 6.253 5.565 ( -1.829 -3.236 2.991) 4.771 5.595 ( 1.365 -1.948 0.767) 2.499 5.667 ( 2.233 -3.968 -0.989) 4.660 5.711 ( 7.213 -2.858 -4.632) 9.036 5.852 ( 4.747 -0.766 -0.740) 4.865 5.967 ( 0.073 -6.057 0.293) 6.065 6.006 ( 3.558 2.150 -3.859) 5.672 6.120 ( 0.782 -1.792 -4.894) 5.270 6.294 ( -5.735 4.693 2.311) 7.762 6.374 ( -1.108 4.290 2.783) 5.232 6.437 ( -6.533 1.383 1.518) 6.849 6.485 ( 3.049 3.088 -1.765) 4.685 6.604 ( 2.104 1.865 -2.476) 3.746 6.740 ( -0.436 -5.442 0.353) 5.471 6.891 ( -1.258 4.446 0.456) 4.644 7.013 ( 6.271 -2.397 -0.361) 6.723 7.138 ( 0.063 0.662 2.972) 3.045 7.258 ( 1.447 -2.807 3.067) 4.402 7.425 ( 1.996 2.979 1.029) 3.730 7.526 ( -0.727 2.434 0.135) 2.544 7.540 ( 0.920 -1.137 1.961) 2.446 7.596 ( -2.811 0.704 -1.999) 3.521 7.877 ( -0.213 0.403 -0.913) 1.021 7.962 ( -5.811 -4.355 1.379) 7.391 8.073 ( 2.557 3.459 -1.219) 4.470 8.196 ( -0.827 -1.882 -1.777) 2.718 8.519 ( 0.110 2.131 -0.676) 2.238 8.566 ( 1.701 4.699 -0.646) 5.039 8.574 ( -0.982 -0.819 -0.349) 1.325 8.647 ( 0.439 2.415 2.666) 3.624 8.693 ( 0.630 -1.514 -0.436) 1.697 8.741 ( 2.465 -0.992 1.521) 3.061 8.813 ( 4.153 2.631 -2.533) 5.530 8.867 ( 3.695 -0.027 -2.250) 4.326 9.179 ( -1.057 2.810 -0.226) 3.010 9.191 ( 1.062 1.572 -0.276) 1.917 9.267 ( -2.519 -0.498 -0.214) 2.577 9.307 ( -1.607 -2.057 1.137) 2.847 9.553 ( 1.305 2.337 1.065) 2.881 9.708 ( 1.888 -3.310 -2.074) 4.339 9.843 ( 0.060 -0.977 -0.764) 1.241 9.921 ( -0.944 -2.421 -3.121) 4.061 10.294 ( -2.919 2.064 3.226) 4.816 10.392 ( -4.417 -2.195 5.216) 7.179 10.537 ( 2.608 3.634 -2.268) 5.015 10.648 ( -2.016 -1.722 -2.299) 3.509 11.202 ( 1.369 1.062 0.212) 1.746 11.244 ( -0.668 -0.165 -0.406) 0.799 11.275 ( -1.187 -0.751 -0.669) 1.555 11.295 ( 1.470 -2.478 -1.119) 3.091 11.420 ( 1.799 -0.639 -0.539) 1.983 11.490 ( 0.204 -2.921 0.869) 3.054 11.549 ( -0.140 0.774 0.722) 1.067 11.619 ( 1.310 -2.198 0.151) 2.563 11.863 ( -1.726 3.516 1.424) 4.168 11.944 ( -0.568 -0.452 1.470) 1.639 12.053 ( 1.443 1.527 -2.283) 3.102 12.093 ( 0.462 -0.110 -0.270) 0.546 12.356 ( -0.900 3.300 2.053) 3.990 12.521 ( 0.730 1.149 -0.376) 1.412 12.538 ( -0.957 -3.925 0.127) 4.042 12.593 ( -0.437 -2.063 -0.478) 2.162 13.082 ( -3.683 1.286 4.884) 6.251 13.109 ( -0.871 -0.467 3.848) 3.973 13.269 ( -1.687 1.925 0.999) 2.748 13.297 ( -0.128 -0.673 1.247) 1.422 13.405 ( 3.178 1.337 -1.605) 3.803 13.492 ( -0.221 -2.566 0.088) 2.577 13.770 ( 4.518 2.540 -11.362) 12.488 13.939 ( 5.086 -6.004 -9.038) 11.983 14.132 ( -2.415 -0.653 0.493) 2.550 14.155 ( -1.778 -1.451 3.145) 3.894 14.201 ( -0.359 1.521 5.618) 5.831 14.355 ( 0.525 -4.272 2.349) 4.903 14.411 ( 1.793 -0.412 0.720) 1.975 14.508 ( -0.635 -4.330 2.770) 5.179 14.783 ( 2.611 2.644 -2.915) 4.723 14.891 ( 1.834 -1.620 -0.566) 2.512 15.052 ( -3.387 4.997 5.723) 8.318 15.225 ( -4.463 -1.945 0.101) 4.870 15.306 ( 1.516 1.622 -1.954) 2.958 15.339 ( 4.826 -0.001 -6.314) 7.947 15.358 ( 2.068 0.497 -0.745) 2.254 15.483 ( 0.034 -3.772 -1.108) 3.932 15.700 ( -4.313 1.464 0.670) 4.603 15.831 ( -3.693 2.272 4.290) 6.100 15.852 ( -4.065 -6.553 3.992) 8.684 15.906 ( -3.302 -1.239 2.961) 4.605 16.254 ( 2.472 2.539 -5.012) 6.138 16.307 ( 3.214 -1.139 -5.769) 6.701 16.502 ( -2.826 -0.311 5.803) 6.463 16.514 ( -5.069 -0.918 4.328) 6.728 16.896 ( 4.438 2.458 -5.056) 7.162 16.964 ( 2.104 -0.313 -3.709) 4.276 17.446 ( -0.035 0.502 0.198) 0.541 17.471 ( 0.238 -0.933 0.138) 0.972 17.519 ( -0.123 -0.028 1.000) 1.008 17.532 ( -0.192 -0.464 -0.570) 0.760 20.494 ( 0.499 2.119 0.424) 2.218 20.546 ( 0.421 -0.046 0.129) 0.443 20.675 ( 1.226 3.153 0.733) 3.462 20.772 ( 1.357 -0.580 -1.439) 2.062 20.822 ( 1.018 -0.006 -0.917) 1.370 20.860 ( -2.186 1.302 -0.133) 2.548 20.903 ( -2.264 0.808 4.719) 5.296 21.004 ( -0.469 -3.808 1.116) 3.995 21.285 ( -0.224 1.207 1.745) 2.134 21.321 ( -1.176 -0.688 2.238) 2.620 21.507 ( 2.903 0.367 -2.647) 3.946 21.542 ( 2.667 -1.649 -4.401) 5.403 22.920 ( -3.714 6.574 3.009) 8.128 23.099 ( -0.993 -2.395 2.338) 3.492 23.227 ( 1.844 0.388 -2.581) 3.195 23.269 ( 1.717 -1.993 -2.668) 3.747 24.807 ( -6.628 0.908 9.816) 11.879 24.869 ( -6.834 -1.876 9.624) 11.952 25.783 ( 14.743 3.669 -20.635) 25.625 26.035 ( 11.819 -10.101 -16.866) 22.938 26.788 ( -14.319 6.581 19.118) 24.776 27.003 ( -12.095 -2.763 13.225) 18.133 27.952 ( 1.571 6.416 -8.041) 10.406 28.096 ( 2.080 -1.296 -8.593) 8.936 29.035 ( 1.081 -0.944 1.671) 2.203 29.132 ( 0.457 -5.677 4.933) 7.535 29.567 ( 1.681 -0.974 -3.040) 3.607 29.627 ( 0.789 -4.343 -2.265) 4.961 30.156 ( -1.050 0.009 1.372) 1.728 30.163 ( -1.796 -0.616 0.849) 2.080 30.341 ( 2.008 2.963 -1.804) 4.008 30.377 ( 0.932 1.214 -1.595) 2.210 31.148 ( -1.625 1.439 1.849) 2.851 31.227 ( -0.779 0.324 -0.102) 0.850 31.306 ( -0.133 -1.272 -1.216) 1.765 31.409 ( 0.345 -3.373 -1.145) 3.579 31.643 ( -4.438 1.349 5.059) 6.864 31.708 ( -1.839 -1.200 3.826) 4.411 32.172 ( 7.430 2.370 -10.909) 13.410 32.234 ( 6.584 -1.614 -9.036) 11.296 32.617 ( -5.933 1.834 10.302) 12.029 32.640 ( -7.941 1.144 11.439) 13.972 33.166 ( 4.775 3.303 -8.285) 10.117 33.269 ( 4.567 -1.146 -9.945) 11.003 33.482 ( -0.873 6.466 5.930) 8.817 33.723 ( -1.905 -4.857 7.443) 9.090 33.901 ( 2.274 -0.309 -0.778) 2.423 34.016 ( -2.199 -4.533 -5.048) 7.133 35.576 ( -2.208 0.107 2.300) 3.190 35.615 ( -0.950 -2.004 1.075) 2.464 35.769 ( 2.964 2.459 -3.164) 4.984 35.828 ( 1.612 -1.056 -1.851) 2.672 35.941 ( -1.644 5.845 0.510) 6.093 36.153 ( 1.445 4.388 -4.419) 6.393 36.190 ( -0.734 2.653 1.852) 3.318 36.201 ( 2.143 1.611 -1.487) 3.066 36.304 ( 2.035 -1.645 -1.337) 2.939 36.376 ( 2.685 -3.780 2.670) 5.350 36.494 ( 2.132 -1.130 1.639) 2.917 36.592 ( 0.155 -4.859 0.624) 4.901 37.440 ( -1.729 0.347 3.407) 3.836 37.575 ( -2.066 -7.545 1.345) 7.937 38.446 ( -3.387 6.797 -1.434) 7.729 38.530 ( -1.485 2.544 1.849) 3.478 ======================= Grid point 64 (32/64) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 6.135 4.297 4.233) 8.603 1.252 ( 0.493 -1.696 0.976) 2.018 1.275 ( -3.846 6.029 1.321) 7.273 1.339 ( -0.266 1.762 1.349) 2.235 1.451 ( -0.720 6.584 1.314) 6.753 1.544 ( 2.305 1.844 -0.045) 2.952 1.635 ( -2.997 -0.735 0.519) 3.129 1.689 ( 3.744 4.680 -0.187) 5.996 1.702 ( 0.347 2.384 0.589) 2.480 1.784 ( -1.701 2.408 -5.230) 6.003 1.892 ( -1.963 6.574 -2.962) 7.473 1.991 ( -2.728 -0.407 -4.470) 5.252 2.059 ( -2.440 -3.917 2.906) 5.454 2.098 ( 0.193 2.026 -1.444) 2.496 2.173 ( 1.286 -1.380 -4.178) 4.584 2.307 ( 0.763 -1.778 2.051) 2.819 2.453 ( 0.052 5.473 4.479) 7.072 2.537 ( 8.599 3.676 -2.992) 9.819 2.581 ( 4.614 5.473 -0.414) 7.171 2.649 ( 2.273 5.402 12.006) 13.360 2.806 ( 2.038 1.409 -0.465) 2.521 2.844 ( 5.216 -1.273 -1.433) 5.557 2.920 ( -4.896 2.041 -1.605) 5.542 3.045 ( 2.037 4.324 3.346) 5.835 3.111 ( 3.549 -0.257 2.517) 4.359 3.176 ( -0.321 -6.956 0.091) 6.964 3.402 ( -1.864 -4.088 1.749) 4.822 3.429 ( -7.908 -4.060 13.230) 15.939 3.446 ( -0.758 3.282 -8.561) 9.200 3.575 ( 1.467 -1.401 -1.934) 2.802 3.625 ( -4.062 2.654 1.435) 5.060 3.674 ( -2.889 -5.318 -0.806) 6.105 3.843 ( 2.650 5.002 -2.039) 6.017 3.873 ( -2.838 4.683 -5.323) 7.636 3.935 ( -0.772 2.378 1.429) 2.880 4.018 ( -0.645 -1.067 8.450) 8.542 4.225 ( 1.811 -1.710 1.880) 3.121 4.265 ( -0.509 -0.603 1.443) 1.645 4.283 ( -5.688 -0.391 5.496) 7.919 4.362 ( 2.514 -2.588 2.470) 4.372 4.565 ( 2.287 0.464 -0.898) 2.501 4.659 ( 0.990 -0.127 -0.138) 1.008 4.706 ( 1.123 -1.239 1.673) 2.365 4.782 ( 1.969 2.862 -2.847) 4.492 4.823 ( -2.308 -3.671 1.236) 4.509 4.902 ( -2.240 -6.595 -0.484) 6.982 4.928 ( -2.434 -4.361 2.441) 5.559 4.971 ( 1.304 -4.538 -3.037) 5.614 5.057 ( 0.812 1.918 1.125) 2.367 5.193 ( 4.162 6.946 -5.558) 9.822 5.248 ( 2.966 1.566 0.228) 3.362 5.329 ( 0.117 2.432 1.644) 2.937 5.457 ( 0.191 -4.728 1.747) 5.044 5.510 ( -4.186 -1.242 2.901) 5.242 5.537 ( -1.149 -1.478 -3.695) 4.142 5.616 ( -1.937 0.338 -0.464) 2.020 5.719 ( 3.945 -4.315 0.756) 5.896 5.773 ( 3.933 -1.603 -3.276) 5.364 5.920 ( -2.361 -1.411 3.800) 4.691 5.973 ( 2.558 -4.355 -4.066) 6.484 6.045 ( 3.004 1.437 -0.463) 3.362 6.068 ( 1.007 0.621 -2.597) 2.854 6.250 ( 0.332 3.086 0.905) 3.233 6.308 ( -5.739 2.214 -1.392) 6.307 6.461 ( 2.169 2.144 6.327) 7.023 6.512 ( 1.164 3.644 0.282) 3.836 6.610 ( 1.913 0.665 -2.346) 3.100 6.702 ( -2.430 -6.159 -2.346) 7.024 6.874 ( -0.923 8.599 0.302) 8.653 7.045 ( -1.217 1.337 -1.895) 2.619 7.174 ( 0.641 -0.825 1.937) 2.200 7.275 ( -3.330 -3.384 0.354) 4.761 7.437 ( -1.410 1.385 0.730) 2.107 7.517 ( -2.330 -0.988 2.088) 3.281 7.564 ( 0.309 0.018 2.644) 2.662 7.594 ( 3.917 1.412 -0.862) 4.252 7.857 ( -0.775 1.007 -1.472) 1.945 7.915 ( -0.817 -4.389 1.285) 4.646 8.098 ( 1.652 0.854 -0.850) 2.045 8.163 ( 0.506 -1.966 -2.958) 3.587 8.514 ( 0.159 1.699 -0.700) 1.845 8.555 ( -0.223 1.800 -0.755) 1.964 8.592 ( 0.903 2.221 0.649) 2.484 8.655 ( -1.509 2.318 1.299) 3.056 8.697 ( 0.067 -1.359 -0.465) 1.438 8.759 ( -1.866 -1.638 0.576) 2.549 8.850 ( 2.746 2.316 -1.663) 3.959 8.874 ( 0.673 1.706 -3.525) 3.974 9.175 ( 0.395 3.316 0.906) 3.460 9.217 ( 0.839 2.252 0.293) 2.421 9.244 ( 0.618 -1.208 0.652) 1.505 9.286 ( -1.586 -1.995 0.018) 2.549 9.576 ( -0.371 1.118 1.364) 1.803 9.705 ( 0.260 -4.690 -1.780) 5.023 9.843 ( 1.343 0.034 -1.973) 2.387 9.885 ( 1.333 -0.901 -2.792) 3.223 10.287 ( -2.450 2.548 3.705) 5.121 10.386 ( -2.798 -2.208 4.762) 5.948 10.570 ( 2.504 2.152 -1.348) 3.567 10.617 ( 1.667 -0.655 -0.967) 2.035 11.215 ( 0.096 0.515 -0.214) 0.566 11.230 ( -0.954 -0.467 -0.443) 1.151 11.255 ( 0.797 -0.678 -1.246) 1.627 11.297 ( 0.597 -3.133 -1.716) 3.622 11.439 ( 0.878 -0.731 -0.412) 1.215 11.480 ( -1.708 -1.919 -0.006) 2.569 11.564 ( 0.010 0.464 1.747) 1.807 11.633 ( 0.126 -2.245 0.048) 2.249 11.855 ( -0.899 3.623 1.044) 3.876 11.938 ( -1.400 -0.504 0.566) 1.592 12.048 ( 0.797 2.429 -2.337) 3.464 12.093 ( 0.276 -0.386 -0.269) 0.546 12.360 ( -1.188 1.943 1.976) 3.015 12.492 ( -2.189 -3.220 -1.260) 4.092 12.526 ( 0.264 0.571 -2.216) 2.304 12.562 ( -1.110 -1.847 -2.715) 3.466 13.065 ( -3.608 1.444 3.482) 5.218 13.123 ( -2.394 -1.194 3.521) 4.422 13.231 ( -2.348 2.280 -0.881) 3.389 13.289 ( -1.753 -1.327 0.127) 2.203 13.436 ( 2.440 0.727 -1.890) 3.171 13.500 ( -0.133 -1.982 1.957) 2.789 13.744 ( 6.154 2.410 -9.818) 11.835 13.921 ( 5.147 -6.852 -9.335) 12.672 14.102 ( -1.983 0.523 1.104) 2.329 14.165 ( -1.028 -2.653 2.511) 3.795 14.265 ( 0.733 2.046 5.112) 5.554 14.388 ( -0.272 -2.707 2.833) 3.928 14.455 ( 0.136 -1.015 3.868) 4.001 14.525 ( -2.573 -3.715 4.783) 6.581 14.788 ( 2.783 4.868 -4.692) 7.311 14.918 ( 2.595 -0.315 -0.634) 2.690 15.032 ( -7.284 4.650 5.950) 10.492 15.178 ( 0.306 -3.945 -0.791) 4.035 15.315 ( 0.832 1.629 0.571) 1.916 15.371 ( 6.296 1.079 -4.956) 8.085 15.401 ( 3.390 -0.124 -0.514) 3.431 15.462 ( -0.871 -4.322 -2.474) 5.055 15.638 ( -2.520 1.740 -0.213) 3.070 15.791 ( -4.277 -4.742 -0.648) 6.418 15.832 ( -2.173 1.999 4.772) 5.612 15.925 ( -1.711 -3.131 6.239) 7.187 16.243 ( 3.500 3.430 -5.538) 7.395 16.301 ( 2.725 -0.921 -4.707) 5.517 16.493 ( -3.330 -0.001 4.946) 5.962 16.536 ( -1.681 -1.719 6.549) 6.976 16.909 ( 3.824 1.272 -5.108) 6.506 16.946 ( 1.460 0.471 -4.785) 5.025 17.447 ( -0.113 0.791 0.371) 0.881 17.476 ( 0.103 -0.626 0.242) 0.679 17.513 ( -1.208 0.074 0.055) 1.212 17.528 ( 0.379 -0.757 -0.448) 0.958 20.504 ( -0.558 2.519 0.794) 2.699 20.546 ( 0.248 0.432 -0.483) 0.694 20.702 ( -0.056 2.239 1.537) 2.716 20.775 ( 0.939 1.344 -0.607) 1.748 20.806 ( -0.504 -1.034 -2.776) 3.005 20.843 ( 0.784 0.700 -0.866) 1.362 20.914 ( -3.019 1.191 5.290) 6.206 21.025 ( -0.061 -3.965 3.081) 5.022 21.295 ( -1.320 0.869 1.991) 2.542 21.322 ( -1.325 -0.613 2.107) 2.563 21.514 ( 1.766 0.179 -3.128) 3.596 21.552 ( 3.411 -1.557 -3.401) 5.062 22.908 ( -1.951 6.376 3.466) 7.515 23.094 ( -1.918 -2.891 1.227) 3.680 23.222 ( 1.439 0.589 -3.021) 3.397 23.275 ( 1.991 -2.217 -2.040) 3.611 24.813 ( -6.274 0.687 10.683) 12.408 24.866 ( -6.408 -1.760 9.761) 11.808 25.810 ( 16.160 3.065 -21.214) 26.844 26.015 ( 8.611 -7.910 -17.772) 21.274 26.803 ( -9.864 4.947 21.165) 23.868 26.964 ( -11.017 -2.984 14.567) 18.506 27.899 ( 4.602 4.610 -10.428) 12.295 28.007 ( 2.484 -1.631 -13.990) 14.302 29.072 ( 0.348 0.039 3.134) 3.153 29.181 ( -2.720 -5.391 6.523) 8.889 29.556 ( 1.781 -0.028 -4.459) 4.801 29.610 ( 0.906 -2.438 -3.059) 4.015 30.140 ( -1.424 0.356 0.310) 1.500 30.160 ( -0.127 -0.730 0.860) 1.135 30.353 ( 1.410 2.997 -1.471) 3.624 30.375 ( 0.399 1.716 -0.879) 1.969 31.137 ( -1.253 3.054 1.454) 3.607 31.237 ( 0.437 -0.135 1.296) 1.375 31.291 ( 0.505 -1.149 -1.550) 1.995 31.396 ( 0.185 -3.998 -1.621) 4.318 31.629 ( -3.236 2.656 4.074) 5.841 31.721 ( -2.197 -1.889 4.435) 5.297 32.171 ( 7.158 2.571 -11.228) 13.562 32.231 ( 5.529 -1.793 -9.689) 11.299 32.616 ( -7.100 1.479 9.372) 11.850 32.623 ( -8.567 1.566 10.442) 13.597 33.152 ( 4.670 3.055 -8.304) 10.005 33.231 ( 4.707 -0.971 -10.447) 11.499 33.530 ( -2.108 6.565 6.276) 9.324 33.736 ( -5.681 -3.354 6.823) 9.491 33.899 ( -0.156 -0.716 -3.477) 3.554 34.014 ( 5.955 -4.978 -0.416) 7.773 35.573 ( -1.461 0.232 2.623) 3.011 35.614 ( -0.664 -1.962 1.325) 2.459 35.783 ( 2.777 3.147 -3.330) 5.358 35.835 ( 1.759 -0.519 -1.853) 2.607 35.917 ( -1.578 4.611 0.534) 4.902 36.096 ( 0.526 1.061 -6.497) 6.604 36.185 ( -1.250 2.209 0.026) 2.538 36.226 ( 0.632 2.757 -0.860) 2.956 36.329 ( 1.137 1.338 2.067) 2.712 36.448 ( 1.469 -3.967 3.484) 5.481 36.513 ( -2.262 -1.530 -0.273) 2.745 36.580 ( -0.327 -2.809 -0.499) 2.872 37.495 ( -0.234 -3.060 7.731) 8.317 37.614 ( 2.216 -8.713 6.268) 10.960 38.380 ( -0.778 7.929 -2.816) 8.451 38.514 ( -1.540 1.108 -0.625) 1.998 ======================= Grid point 65 (33/64) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -11.470 9.207 -2.738) 14.960 1.271 ( 0.676 8.991 -3.310) 9.605 1.326 ( 2.958 -1.167 4.322) 5.366 1.373 ( 3.250 -0.600 3.374) 4.723 1.472 ( 1.081 1.833 2.178) 3.045 1.515 ( -0.089 5.920 -6.125) 8.519 1.617 ( 1.780 4.100 -1.050) 4.592 1.655 ( 1.989 4.931 1.880) 5.639 1.749 ( 4.128 -0.204 -1.111) 4.279 1.832 ( -1.370 3.054 0.566) 3.395 1.865 ( 6.273 1.365 -2.557) 6.910 1.958 ( -1.574 -0.680 -2.817) 3.298 1.995 ( 0.317 0.959 3.388) 3.535 2.152 ( 3.281 -0.101 -0.997) 3.431 2.227 ( 2.038 -0.865 4.784) 5.272 2.381 ( 6.883 -2.167 0.105) 7.217 2.516 ( 0.810 6.947 5.303) 8.777 2.578 ( -0.870 6.209 0.315) 6.277 2.668 ( 3.999 2.469 -3.590) 5.914 2.758 ( 6.142 0.481 1.156) 6.268 2.829 ( 3.678 0.916 -4.694) 6.033 2.841 ( -3.381 9.956 3.761) 11.167 2.976 ( 5.523 -1.873 1.860) 6.122 3.059 ( -0.175 0.052 -2.184) 2.191 3.174 ( -1.773 -2.817 1.490) 3.647 3.211 ( -0.649 -2.135 -3.922) 4.513 3.329 ( 0.768 -2.090 -1.475) 2.671 3.371 ( -0.669 0.871 4.737) 4.863 3.517 ( -1.263 0.407 6.054) 6.197 3.590 ( 3.298 0.734 -0.973) 3.516 3.612 ( 0.640 -9.317 3.931) 10.132 3.647 ( -2.709 -6.229 4.735) 8.280 3.756 ( -3.580 2.208 -1.851) 4.595 3.820 ( 4.042 2.737 -11.102) 12.128 3.972 ( -0.535 4.485 5.020) 6.753 4.055 ( -4.529 0.143 4.712) 6.537 4.198 ( -0.536 0.885 2.454) 2.663 4.248 ( -2.960 -3.037 3.111) 5.260 4.453 ( 9.389 3.611 -4.053) 10.845 4.461 ( 7.916 -3.311 7.604) 11.465 4.604 ( 0.860 0.166 1.440) 1.685 4.675 ( 1.819 1.442 -1.114) 2.575 4.702 ( -0.644 1.664 1.924) 2.624 4.796 ( -0.545 -5.338 -1.096) 5.477 4.828 ( 2.083 -1.006 -2.924) 3.728 4.882 ( 1.058 0.731 1.983) 2.364 4.895 ( -2.058 -6.813 2.245) 7.463 5.010 ( 3.179 -2.721 -1.546) 4.461 5.073 ( 1.490 1.730 0.521) 2.342 5.166 ( -0.805 5.872 -4.748) 7.594 5.311 ( -1.381 -0.567 2.105) 2.581 5.337 ( 3.801 3.105 -0.567) 4.941 5.396 ( -5.825 -3.962 -2.157) 7.367 5.474 ( -2.795 -1.300 1.890) 3.616 5.516 ( -6.852 2.871 -0.918) 7.485 5.527 ( 0.409 -4.249 -1.095) 4.407 5.748 ( -2.107 0.812 -3.948) 4.548 5.808 ( 1.436 -4.198 2.978) 5.343 5.889 ( -1.041 -0.959 1.227) 1.874 5.972 ( 1.594 -1.720 -2.931) 3.754 5.983 ( -4.463 4.222 0.707) 6.184 6.127 ( 3.539 -0.296 -2.407) 4.291 6.275 ( 2.575 -1.478 0.946) 3.116 6.301 ( 2.817 -1.043 -1.123) 3.207 6.516 ( -0.824 4.643 1.618) 4.985 6.541 ( -1.145 0.469 1.958) 2.317 6.622 ( 1.984 0.027 -1.305) 2.375 6.636 ( 0.275 -5.101 -3.600) 6.250 6.860 ( -4.429 5.589 1.994) 7.405 6.985 ( -2.135 3.329 0.301) 3.966 7.156 ( -5.023 -3.643 -2.552) 6.709 7.196 ( -2.627 -3.719 1.836) 4.909 7.439 ( -1.535 -0.276 3.671) 3.989 7.480 ( -4.056 -1.396 1.463) 4.532 7.617 ( 2.063 2.348 1.298) 3.384 7.646 ( 3.418 2.310 -1.551) 4.407 7.850 ( 0.519 1.838 1.699) 2.556 7.944 ( 3.326 -3.664 -0.896) 5.029 8.105 ( 0.344 -0.332 -0.528) 0.712 8.164 ( 3.169 -2.807 -2.831) 5.093 8.504 ( -0.497 2.595 -0.448) 2.680 8.541 ( -0.389 3.235 -1.013) 3.412 8.608 ( -0.411 0.047 0.594) 0.724 8.642 ( -0.069 -0.798 -0.605) 1.004 8.685 ( -1.353 0.054 0.369) 1.403 8.708 ( -4.730 -0.419 1.347) 4.936 8.822 ( -1.806 2.616 -2.827) 4.254 8.855 ( -0.293 0.328 -1.992) 2.040 9.205 ( 1.070 2.709 0.719) 3.001 9.217 ( -0.163 1.655 0.820) 1.854 9.252 ( -0.784 0.028 -1.598) 1.780 9.296 ( 2.429 -0.175 0.984) 2.627 9.578 ( -1.578 0.535 2.395) 2.918 9.687 ( -0.260 -3.991 -1.364) 4.226 9.821 ( 0.725 2.066 -3.565) 4.184 9.920 ( 4.497 -1.857 -1.645) 5.136 10.294 ( -1.531 3.671 3.426) 5.250 10.405 ( -0.664 -2.038 3.886) 4.438 10.577 ( 0.886 3.011 -0.821) 3.244 10.682 ( 6.095 -1.577 -1.381) 6.445 11.197 ( -1.781 -0.242 0.605) 1.897 11.221 ( 1.037 -0.597 -1.565) 1.970 11.262 ( 1.311 -1.417 -1.039) 2.192 11.288 ( 0.566 -2.830 -1.133) 3.101 11.440 ( -2.298 -1.607 -0.906) 2.947 11.443 ( -0.245 -1.742 0.374) 1.799 11.575 ( -1.461 0.448 2.089) 2.588 11.620 ( -1.619 -1.670 -0.280) 2.342 11.856 ( -0.603 3.076 1.516) 3.482 11.919 ( -1.432 -0.029 0.733) 1.609 12.032 ( 0.326 2.191 -1.940) 2.945 12.095 ( 0.534 -1.031 -0.991) 1.527 12.357 ( -2.703 0.998 3.001) 4.161 12.454 ( -0.739 -2.738 -0.366) 2.860 12.494 ( -1.481 0.080 -1.377) 2.024 12.520 ( 0.452 -1.079 -2.804) 3.038 13.047 ( -3.407 0.973 3.678) 5.107 13.106 ( -3.535 -1.509 2.769) 4.737 13.190 ( -2.568 1.402 1.212) 3.167 13.258 ( -2.655 -1.910 1.617) 3.648 13.444 ( 1.688 1.180 -2.724) 3.415 13.516 ( -0.400 -1.994 1.192) 2.358 13.756 ( 7.979 2.686 -9.195) 12.467 13.920 ( 7.914 -5.444 -9.983) 13.854 14.093 ( -1.228 1.708 1.919) 2.847 14.173 ( -1.067 -2.853 2.002) 3.645 14.321 ( 1.643 1.788 1.000) 2.627 14.393 ( -3.636 -0.713 3.207) 4.900 14.471 ( -5.103 -0.246 5.753) 7.694 14.537 ( -1.828 -3.749 4.533) 6.160 14.767 ( 0.661 5.282 -3.659) 6.460 14.958 ( -0.850 -2.858 -0.055) 2.983 14.970 ( -2.585 6.221 2.809) 7.299 15.202 ( 3.020 -5.539 -1.233) 6.428 15.350 ( 1.138 2.393 2.277) 3.494 15.411 ( -0.177 0.527 -0.839) 1.007 15.425 ( 6.787 1.079 -5.961) 9.097 15.462 ( 3.493 -0.325 1.615) 3.862 15.619 ( -1.940 -0.465 0.668) 2.104 15.735 ( 1.578 -3.182 -3.195) 4.778 15.859 ( -1.520 1.758 5.345) 5.828 15.961 ( -2.185 -2.889 5.696) 6.750 16.237 ( 3.924 2.695 -7.508) 8.890 16.301 ( 2.581 -1.180 -2.818) 3.999 16.498 ( -3.011 0.587 4.874) 5.759 16.583 ( -1.354 -2.944 6.334) 7.114 16.894 ( 0.892 1.007 -4.964) 5.143 16.924 ( 3.191 -0.213 -5.998) 6.797 17.450 ( -0.238 1.289 0.679) 1.476 17.477 ( -0.059 -0.182 -0.367) 0.413 17.491 ( -1.476 0.040 0.126) 1.482 17.530 ( 0.304 -1.550 -0.161) 1.587 20.493 ( -1.221 2.448 0.635) 2.808 20.550 ( -0.027 -0.326 0.443) 0.551 20.702 ( -0.969 1.612 0.339) 1.911 20.771 ( -0.715 0.261 -2.065) 2.201 20.784 ( 0.632 1.070 -0.593) 1.376 20.847 ( 0.677 -0.007 -0.469) 0.823 20.918 ( -3.151 2.120 4.785) 6.109 21.057 ( -0.597 -4.206 3.421) 5.454 21.282 ( -2.204 0.778 1.386) 2.717 21.324 ( -1.257 -1.054 1.906) 2.515 21.507 ( 1.305 0.700 -2.742) 3.116 21.566 ( 2.871 -2.273 -3.562) 5.109 22.928 ( -0.428 4.496 3.397) 5.651 23.067 ( -2.350 -2.799 0.665) 3.715 23.215 ( 1.557 1.514 -2.798) 3.542 23.284 ( 1.632 -1.974 -1.908) 3.193 24.827 ( -5.887 0.264 9.841) 11.471 24.875 ( -7.402 -2.764 12.897) 15.125 25.844 ( 15.882 1.667 -21.624) 26.882 25.950 ( 8.878 -3.546 -19.249) 21.493 26.897 ( -10.819 1.883 21.177) 23.855 27.008 ( -1.339 -0.472 19.233) 19.286 27.881 ( 6.203 2.760 -12.638) 14.346 27.906 ( 7.079 0.229 -14.389) 16.038 29.100 ( -2.141 1.166 3.699) 4.430 29.179 ( -6.327 -2.903 6.993) 9.867 29.514 ( 0.261 0.024 -7.298) 7.303 29.591 ( 0.951 -4.582 -2.979) 5.547 30.127 ( -0.542 1.301 0.591) 1.528 30.176 ( 0.969 -1.224 0.923) 1.813 30.337 ( -1.338 2.699 -1.850) 3.535 30.366 ( -0.367 1.018 -1.229) 1.637 31.156 ( 0.596 5.261 3.111) 6.141 31.242 ( 0.018 0.458 -0.748) 0.877 31.300 ( 1.172 -2.223 -0.230) 2.524 31.396 ( 2.922 -4.296 -2.329) 5.694 31.621 ( -3.421 2.862 4.282) 6.183 31.726 ( -3.386 -2.709 4.707) 6.400 32.164 ( 6.631 2.406 -10.963) 13.037 32.206 ( 4.769 -0.843 -10.446) 11.514 32.591 ( -8.661 1.769 10.335) 13.600 32.601 ( -7.382 1.399 10.125) 12.609 33.148 ( 5.797 2.572 -7.889) 10.122 33.206 ( 5.266 -0.788 -9.019) 10.473 33.537 ( -5.189 4.024 6.444) 9.200 33.690 ( -6.191 -4.073 2.927) 7.968 33.884 ( 1.518 3.992 -1.393) 4.492 34.117 ( 6.433 -6.505 -0.905) 9.193 35.584 ( -0.750 0.322 2.714) 2.834 35.620 ( -0.536 -1.669 1.293) 2.178 35.783 ( 2.098 3.736 -3.899) 5.793 35.846 ( 2.298 -0.022 -2.362) 3.295 35.917 ( -0.239 2.431 2.566) 3.543 36.041 ( 0.920 -0.993 -5.882) 6.035 36.149 ( -2.278 3.323 -0.729) 4.094 36.214 ( -0.779 1.286 -0.234) 1.522 36.347 ( -3.171 2.179 2.464) 4.569 36.434 ( -4.950 -0.885 -1.119) 5.152 36.491 ( -0.965 -3.904 3.377) 5.251 36.582 ( 1.114 -4.457 -0.491) 4.620 37.531 ( -4.543 0.778 5.585) 7.241 37.783 ( 8.331 -9.360 5.853) 13.830 38.389 ( 2.547 6.016 2.100) 6.863 38.476 ( 0.769 1.209 -3.925) 4.178 ======================= Grid point 66 (34/64) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -2.781 18.239 0.388) 18.454 1.217 ( 1.654 21.807 -8.701) 23.537 1.371 ( 1.022 0.639 0.674) 1.380 1.408 ( 0.671 1.395 -1.123) 1.913 1.445 ( -1.308 4.570 -0.796) 4.820 1.560 ( 4.716 1.113 0.395) 4.861 1.667 ( 1.004 1.012 -1.070) 1.782 1.707 ( -0.551 3.368 5.304) 6.308 1.765 ( -4.087 -2.839 -2.796) 5.708 1.874 ( -0.804 -5.658 3.526) 6.715 1.921 ( 6.000 4.963 2.035) 8.048 1.947 ( 4.947 1.617 0.061) 5.205 2.067 ( 3.931 -2.624 1.743) 5.037 2.195 ( 2.387 8.540 0.206) 8.869 2.273 ( 0.550 -4.994 0.171) 5.027 2.422 ( 4.537 -4.523 -8.820) 10.901 2.550 ( -0.379 7.795 -0.164) 7.806 2.628 ( 0.635 4.565 4.356) 6.342 2.713 ( 2.700 5.679 -1.713) 6.517 2.792 ( -0.363 4.877 1.454) 5.102 2.821 ( -1.052 3.115 -2.899) 4.383 2.850 ( 2.711 0.853 -6.827) 7.395 2.979 ( -1.597 4.319 -1.240) 4.769 3.015 ( -1.702 6.279 -4.466) 7.891 3.164 ( -4.025 -9.865 -1.292) 10.733 3.172 ( 4.825 -3.311 -1.652) 6.081 3.252 ( -3.721 -3.174 6.426) 8.075 3.453 ( 5.561 2.004 -9.312) 11.030 3.495 ( -1.342 -2.798 -2.883) 4.236 3.668 ( -1.644 -4.615 5.611) 7.449 3.705 ( 4.480 -2.325 10.797) 11.919 3.724 ( -0.734 2.278 -0.249) 2.406 3.757 ( 4.376 -7.668 6.586) 11.015 3.789 ( 0.658 2.882 -0.377) 2.981 4.008 ( -3.468 -1.296 5.925) 6.986 4.043 ( 1.783 -3.544 4.204) 5.780 4.206 ( -3.608 0.878 -1.389) 3.965 4.266 ( 3.736 1.875 1.681) 4.506 4.510 ( 5.874 4.894 -6.036) 9.741 4.596 ( -1.725 0.047 -0.881) 1.937 4.628 ( 3.252 -4.536 1.323) 5.736 4.707 ( -0.750 1.397 1.361) 2.089 4.712 ( 2.989 0.405 -0.258) 3.028 4.778 ( -0.898 -0.070 -0.211) 0.925 4.850 ( 0.656 -1.770 -5.213) 5.545 4.880 ( -0.562 -6.075 1.550) 6.295 4.929 ( 2.999 0.913 -0.283) 3.147 5.022 ( 0.650 -0.310 -2.933) 3.020 5.095 ( 0.833 3.568 -0.792) 3.749 5.124 ( 3.081 2.411 -3.743) 5.415 5.257 ( -4.770 -1.224 3.422) 5.996 5.326 ( -0.879 -3.498 1.733) 4.001 5.387 ( -1.566 1.908 1.500) 2.889 5.414 ( -4.775 7.397 1.658) 8.959 5.459 ( -0.017 0.269 -1.914) 1.933 5.503 ( -0.053 -4.583 -1.531) 4.832 5.694 ( -0.300 0.712 -0.761) 1.084 5.733 ( -5.122 -5.310 -4.143) 8.461 5.887 ( -3.046 5.908 -0.627) 6.676 5.969 ( 2.560 0.128 1.339) 2.892 6.016 ( 0.390 -1.898 3.171) 3.716 6.143 ( 3.084 -5.039 -4.452) 7.397 6.310 ( 1.695 -1.411 -0.928) 2.392 6.321 ( 0.686 -2.980 0.100) 3.059 6.498 ( -0.742 3.355 -1.499) 3.749 6.534 ( -1.654 1.032 4.540) 4.941 6.617 ( -2.279 1.566 -1.715) 3.254 6.626 ( 1.741 -4.195 -3.002) 5.444 6.790 ( -2.498 -0.677 1.181) 2.845 6.959 ( -2.621 -4.324 -3.011) 5.885 7.088 ( -3.239 1.940 5.692) 6.830 7.199 ( -0.794 -3.758 2.802) 4.755 7.423 ( -4.685 1.127 2.014) 5.223 7.460 ( -0.922 -1.179 3.634) 3.930 7.629 ( 2.462 4.227 -5.872) 7.643 7.683 ( 2.114 1.374 0.266) 2.535 7.897 ( 0.944 1.707 3.014) 3.590 7.993 ( 3.400 -2.370 -0.438) 4.168 8.100 ( 0.774 0.319 -2.526) 2.661 8.189 ( 2.304 -2.913 -1.228) 3.912 8.501 ( 0.754 3.244 0.164) 3.334 8.519 ( -0.661 2.730 -0.909) 2.952 8.584 ( -1.965 0.096 -0.802) 2.125 8.623 ( -2.983 -1.077 1.191) 3.388 8.665 ( -2.358 1.645 0.988) 3.040 8.673 ( -0.290 -0.056 0.270) 0.400 8.778 ( -0.279 0.760 -1.135) 1.394 8.812 ( -1.433 -0.996 -1.989) 2.646 9.197 ( -0.605 1.789 -0.839) 2.067 9.220 ( -0.159 -0.296 -1.025) 1.078 9.257 ( 1.353 3.485 1.211) 3.930 9.334 ( 1.119 0.169 0.405) 1.202 9.573 ( -2.060 0.930 1.520) 2.724 9.671 ( -0.684 -4.058 0.435) 4.138 9.810 ( 3.019 3.957 -4.048) 6.415 9.969 ( 3.124 -2.899 -1.324) 4.463 10.308 ( -0.855 4.333 2.519) 5.084 10.439 ( -0.173 -2.016 2.872) 3.513 10.583 ( 0.892 4.531 -1.371) 4.817 10.752 ( 5.050 -2.918 -3.445) 6.774 11.184 ( -1.354 -0.204 1.133) 1.778 11.217 ( 1.265 -1.500 -2.164) 2.921 11.284 ( 1.508 -1.429 0.951) 2.285 11.293 ( 0.887 -2.204 -0.522) 2.433 11.390 ( -1.620 -1.204 -1.335) 2.420 11.447 ( -0.660 -3.001 1.289) 3.332 11.564 ( -2.591 0.294 2.297) 3.475 11.582 ( -1.973 -1.180 -0.369) 2.329 11.868 ( -0.443 2.389 2.408) 3.420 11.910 ( -1.784 0.304 2.147) 2.808 12.026 ( 1.321 1.240 -1.366) 2.269 12.084 ( 0.552 -1.280 -2.640) 2.985 12.341 ( -3.370 2.123 3.723) 5.452 12.448 ( -0.312 -2.780 0.456) 2.834 12.485 ( 0.073 -0.147 1.808) 1.816 12.518 ( 1.100 -1.661 0.317) 2.017 13.030 ( -3.083 1.396 3.338) 4.753 13.086 ( -3.479 -1.831 4.341) 5.856 13.177 ( -2.026 0.046 3.399) 3.957 13.245 ( -3.229 -2.580 4.876) 6.392 13.435 ( 1.661 1.560 -3.877) 4.497 13.512 ( -0.392 -1.816 -0.257) 1.876 13.804 ( 9.971 3.131 -9.333) 14.012 13.962 ( 10.443 -4.500 -11.230) 15.981 14.101 ( -0.784 2.082 2.367) 3.249 14.172 ( -1.482 -2.215 1.645) 3.131 14.321 ( -5.923 1.080 2.530) 6.530 14.347 ( 0.076 0.420 -1.983) 2.029 14.441 ( -4.044 -0.416 3.109) 5.118 14.541 ( -3.542 -4.877 3.410) 6.925 14.748 ( 0.391 3.348 -1.293) 3.610 14.877 ( -4.721 -1.972 -0.770) 5.174 14.997 ( 0.152 4.860 1.602) 5.120 15.233 ( 2.969 -4.864 -2.677) 6.296 15.370 ( 1.670 1.555 -1.910) 2.976 15.437 ( 2.040 1.150 -2.701) 3.575 15.459 ( 1.714 1.625 -0.845) 2.508 15.547 ( -2.071 -1.745 1.680) 3.187 15.626 ( 7.199 1.155 5.220) 8.967 15.766 ( 3.586 -1.981 -1.683) 4.430 15.890 ( -0.193 2.807 2.466) 3.741 15.967 ( -4.064 -1.817 5.100) 6.769 16.211 ( 3.451 2.287 -7.597) 8.652 16.326 ( 3.732 -3.455 -2.498) 5.666 16.492 ( -4.014 1.838 4.708) 6.454 16.619 ( -2.668 -3.798 5.943) 7.541 16.857 ( 1.845 1.712 -5.213) 5.789 16.908 ( 2.654 -0.777 -5.272) 5.953 17.455 ( -0.154 1.456 0.936) 1.738 17.467 ( -1.090 0.165 -0.164) 1.115 17.471 ( -0.393 -0.039 -0.079) 0.403 17.534 ( 0.114 -1.910 0.296) 1.936 20.488 ( -0.192 1.823 0.426) 1.882 20.549 ( -0.699 -1.196 0.512) 1.477 20.684 ( -0.856 1.893 -0.111) 2.080 20.723 ( -2.286 1.057 -1.989) 3.209 20.795 ( 1.204 0.968 0.148) 1.552 20.855 ( -0.666 -0.813 1.910) 2.180 20.913 ( -2.304 3.349 2.582) 4.815 21.071 ( -1.555 -4.177 2.228) 4.983 21.261 ( -1.826 1.116 1.064) 2.390 21.318 ( -1.305 -1.356 0.987) 2.125 21.498 ( 1.160 0.978 -2.580) 2.993 21.569 ( 2.436 -2.668 -3.786) 5.234 22.959 ( -0.167 2.426 2.838) 3.737 23.043 ( -1.847 -2.051 1.710) 3.247 23.213 ( 1.799 2.236 -2.603) 3.874 23.285 ( 1.191 -1.252 -2.067) 2.694 24.830 ( -5.687 0.383 8.415) 10.163 24.896 ( -9.332 -4.877 15.635) 18.850 25.839 ( 10.952 1.188 -19.838) 22.691 25.926 ( 15.049 -2.688 -21.156) 26.101 26.909 ( -13.305 4.812 19.514) 24.104 27.265 ( 2.368 -10.901 14.644) 18.409 27.853 ( 10.054 6.231 -8.288) 14.443 27.948 ( 9.461 2.483 -7.502) 12.327 29.054 ( -6.190 3.887 -0.444) 7.323 29.138 ( -6.326 -1.290 5.360) 8.391 29.435 ( 1.083 1.356 -4.903) 5.201 29.582 ( 0.604 -7.286 -1.067) 7.388 30.137 ( 0.434 2.010 1.360) 2.465 30.203 ( 0.227 -1.237 1.328) 1.829 30.295 ( -0.527 1.916 -0.992) 2.221 30.333 ( -1.674 0.192 -1.326) 2.144 31.195 ( 0.083 5.777 0.706) 5.820 31.252 ( 1.000 0.283 2.005) 2.259 31.304 ( 1.246 -2.544 -2.506) 3.782 31.436 ( 3.710 -3.708 -1.630) 5.492 31.614 ( -3.457 2.194 5.431) 6.801 31.714 ( -4.221 -3.414 4.931) 7.334 32.149 ( 5.547 1.759 -10.084) 11.643 32.175 ( 5.618 0.627 -10.164) 11.630 32.571 ( -7.555 2.289 10.757) 13.342 32.607 ( -6.371 0.984 11.803) 13.449 33.168 ( 6.568 1.581 -8.089) 10.539 33.214 ( 6.398 -0.486 -6.604) 9.207 33.518 ( -4.876 1.314 6.052) 7.882 33.606 ( -6.111 -3.396 0.913) 7.051 33.898 ( 1.141 6.569 -0.769) 6.711 34.185 ( 4.063 -7.159 -2.832) 8.705 35.602 ( -0.650 0.103 2.489) 2.575 35.623 ( -0.567 -1.192 0.983) 1.646 35.769 ( 1.532 3.141 -4.002) 5.313 35.854 ( 2.364 -0.603 -3.671) 4.408 35.965 ( 1.224 1.596 4.522) 4.949 35.999 ( -0.396 -0.044 -2.221) 2.257 36.117 ( 1.056 4.201 -2.903) 5.214 36.196 ( -2.665 0.453 1.765) 3.229 36.294 ( -4.696 0.474 2.007) 5.129 36.345 ( -4.234 -1.548 -0.726) 4.566 36.495 ( -2.336 -3.687 2.510) 5.035 36.595 ( 0.674 -6.010 -0.902) 6.114 37.487 ( -3.449 8.529 -0.018) 9.200 37.927 ( 4.039 -11.895 -1.099) 12.610 38.428 ( 2.061 5.433 -3.316) 6.690 38.528 ( 3.609 0.276 5.761) 6.803 ======================= Grid point 67 (35/64) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.604 -7.839 -0.532) 7.880 1.258 ( 0.604 7.839 -0.532) 7.880 1.408 ( -1.216 -0.414 -2.381) 2.706 1.408 ( -1.216 0.414 -2.381) 2.706 1.611 ( 1.795 -8.259 -2.769) 8.894 1.611 ( 1.795 8.259 -2.769) 8.894 1.670 ( 1.831 -2.857 -2.269) 4.082 1.670 ( 1.831 2.857 -2.269) 4.082 1.769 ( 0.188 -3.333 1.088) 3.511 1.769 ( 0.188 3.333 1.088) 3.511 2.053 ( -1.795 -6.028 3.322) 7.113 2.053 ( -1.795 6.028 3.322) 7.113 2.119 ( 1.439 -3.290 0.869) 3.694 2.119 ( 1.439 3.290 0.869) 3.694 2.349 ( 7.895 -2.192 -10.811) 13.565 2.349 ( 7.895 2.192 -10.811) 13.565 2.589 ( -2.203 -1.688 -10.933) 11.280 2.589 ( -2.203 1.688 -10.933) 11.280 2.769 ( -1.101 -8.955 -2.910) 9.480 2.769 ( -1.101 8.955 -2.910) 9.480 2.866 ( 3.201 -5.576 -1.963) 6.723 2.866 ( 3.201 5.576 -1.963) 6.723 2.972 ( -6.546 -1.800 8.866) 11.166 2.972 ( -6.546 1.800 8.866) 11.166 3.119 ( -0.676 -10.886 -6.420) 12.656 3.119 ( -0.676 10.886 -6.420) 12.656 3.371 ( 0.445 -8.195 6.815) 10.667 3.371 ( 0.445 8.195 6.815) 10.667 3.596 ( -2.509 -7.135 5.576) 9.397 3.596 ( -2.509 7.135 5.576) 9.397 3.688 ( -3.488 -8.968 1.973) 9.823 3.688 ( -3.488 8.968 1.973) 9.823 3.859 ( 3.185 -1.416 3.427) 4.889 3.859 ( 3.185 1.416 3.427) 4.889 4.002 ( -2.273 -3.258 6.735) 7.819 4.002 ( -2.273 3.258 6.735) 7.819 4.249 ( -1.097 -5.052 -0.888) 5.245 4.249 ( -1.097 5.052 -0.888) 5.245 4.538 ( -4.059 -1.810 -1.386) 4.655 4.538 ( -4.059 1.810 -1.386) 4.655 4.608 ( -1.002 -3.038 -8.779) 9.344 4.608 ( -1.002 3.038 -8.779) 9.344 4.732 ( 2.758 -2.591 -4.992) 6.265 4.732 ( 2.758 2.591 -4.992) 6.265 4.860 ( 3.318 -2.397 3.789) 5.577 4.860 ( 3.318 2.397 3.789) 5.577 4.989 ( -2.341 -3.815 -0.881) 4.562 4.989 ( -2.341 3.815 -0.881) 4.562 5.145 ( -3.006 -3.357 -1.901) 4.891 5.145 ( -3.006 3.357 -1.901) 4.891 5.230 ( 1.244 -2.468 0.806) 2.879 5.230 ( 1.244 2.468 0.806) 2.879 5.421 ( 2.667 -1.069 1.811) 3.396 5.421 ( 2.667 1.069 1.811) 3.396 5.517 ( 2.137 -5.469 -5.735) 8.208 5.517 ( 2.137 5.469 -5.735) 8.208 5.674 ( 0.858 -2.720 2.452) 3.761 5.674 ( 0.858 2.720 2.452) 3.761 5.947 ( -5.706 -5.038 2.723) 8.084 5.947 ( -5.706 5.038 2.723) 8.084 6.000 ( 3.611 -5.196 -6.274) 8.911 6.000 ( 3.611 5.196 -6.274) 8.911 6.302 ( 2.493 -1.621 0.299) 2.989 6.302 ( 2.493 1.621 0.299) 2.989 6.555 ( 0.532 -1.842 2.712) 3.321 6.555 ( 0.532 1.842 2.712) 3.321 6.614 ( 2.062 -2.376 -4.981) 5.891 6.614 ( 2.062 2.376 -4.981) 5.891 6.795 ( -0.996 -2.494 3.300) 4.255 6.795 ( -0.996 2.494 3.300) 4.255 7.143 ( -3.602 -3.207 4.955) 6.915 7.143 ( -3.602 3.207 4.955) 6.915 7.443 ( -1.462 -2.656 2.778) 4.112 7.443 ( -1.462 2.656 2.778) 4.112 7.673 ( 1.092 -3.353 -4.117) 5.420 7.673 ( 1.092 3.353 -4.117) 5.420 7.980 ( -0.905 -3.904 2.529) 4.738 7.980 ( -0.905 3.904 2.529) 4.738 8.141 ( 1.531 -4.510 -1.524) 5.000 8.141 ( 1.531 4.510 -1.524) 5.000 8.541 ( 0.451 -0.425 -0.064) 0.623 8.541 ( 0.451 0.425 -0.064) 0.623 8.584 ( 0.248 -0.861 -0.011) 0.896 8.584 ( 0.248 0.861 -0.011) 0.896 8.665 ( -1.018 -0.120 0.598) 1.187 8.665 ( -1.018 0.120 0.598) 1.187 8.783 ( 1.643 -0.746 -0.822) 1.983 8.783 ( 1.643 0.746 -0.822) 1.983 9.211 ( 0.233 -0.845 0.107) 0.883 9.211 ( 0.233 0.845 0.107) 0.883 9.324 ( -0.357 -1.775 -0.245) 1.827 9.324 ( -0.357 1.775 -0.245) 1.827 9.602 ( -0.810 -3.647 1.292) 3.953 9.602 ( -0.810 3.647 1.292) 3.953 9.908 ( 2.470 -4.809 -3.746) 6.577 9.908 ( 2.470 4.809 -3.746) 6.577 10.388 ( -2.537 -3.726 2.587) 5.198 10.388 ( -2.537 3.726 2.587) 5.198 10.674 ( 1.086 -5.474 -3.960) 6.843 10.674 ( 1.086 5.474 -3.960) 6.843 11.193 ( 0.625 -1.843 -0.003) 1.946 11.193 ( 0.625 1.843 -0.003) 1.946 11.294 ( 0.146 -0.942 0.839) 1.270 11.294 ( 0.146 0.942 0.839) 1.270 11.382 ( 0.329 -2.089 -0.243) 2.128 11.382 ( 0.329 2.089 -0.243) 2.128 11.557 ( -0.829 -0.296 1.444) 1.691 11.557 ( -0.829 0.296 1.444) 1.691 11.911 ( -1.374 -0.283 2.781) 3.115 11.911 ( -1.374 0.283 2.781) 3.115 12.054 ( 1.604 -0.599 -1.563) 2.319 12.054 ( 1.604 0.599 -1.563) 2.319 12.410 ( -1.104 -4.149 4.114) 5.946 12.410 ( -1.104 4.149 4.114) 5.946 12.511 ( 0.740 -2.044 1.405) 2.588 12.511 ( 0.740 2.044 1.405) 2.588 13.055 ( -2.266 -1.244 4.462) 5.156 13.055 ( -2.266 1.244 4.462) 5.156 13.220 ( -1.157 -1.798 5.200) 5.622 13.220 ( -1.157 1.798 5.200) 5.622 13.460 ( 1.172 -2.552 -3.188) 4.248 13.460 ( 1.172 2.552 -3.188) 4.248 13.916 ( 8.668 -3.144 -12.438) 15.483 13.916 ( 8.668 3.144 -12.438) 15.483 14.144 ( -0.809 -1.360 1.947) 2.509 14.144 ( -0.809 1.360 1.947) 2.509 14.278 ( -5.038 -2.922 1.406) 5.992 14.278 ( -5.038 2.922 1.406) 5.992 14.435 ( -1.707 -3.358 1.081) 3.919 14.435 ( -1.707 3.358 1.081) 3.919 14.790 ( 0.221 -2.212 -0.317) 2.245 14.790 ( 0.221 2.212 -0.317) 2.245 15.145 ( 1.911 -6.740 -0.720) 7.043 15.145 ( 1.911 6.740 -0.720) 7.043 15.374 ( -0.271 -1.768 -4.405) 4.755 15.374 ( -0.271 1.768 -4.405) 4.755 15.497 ( -1.851 -2.660 -0.011) 3.241 15.497 ( -1.851 2.660 -0.011) 3.241 15.767 ( -0.143 -2.349 3.476) 4.198 15.767 ( -0.143 2.349 3.476) 4.198 15.931 ( -2.548 -2.191 2.201) 4.017 15.931 ( -2.548 2.191 2.201) 4.017 16.267 ( 5.078 -3.715 -5.899) 8.625 16.267 ( 5.078 3.715 -5.899) 8.625 16.545 ( -4.818 -3.592 6.119) 8.577 16.545 ( -4.818 3.592 6.119) 8.577 16.892 ( 4.085 -1.848 -3.934) 5.965 16.892 ( 4.085 1.848 -3.934) 5.965 17.456 ( -0.261 -0.690 -0.258) 0.781 17.456 ( -0.261 0.690 -0.258) 0.781 17.504 ( 0.055 -1.698 0.974) 1.958 17.504 ( 0.055 1.698 0.974) 1.958 20.513 ( -0.537 -1.417 0.227) 1.532 20.513 ( -0.537 1.417 0.227) 1.532 20.696 ( 0.301 -0.519 -1.108) 1.260 20.696 ( 0.301 0.519 -1.108) 1.260 20.845 ( -0.699 -1.397 2.970) 3.356 20.845 ( -0.699 1.397 2.970) 3.356 20.977 ( -1.725 -4.294 0.623) 4.670 20.977 ( -1.725 4.294 0.623) 4.670 21.283 ( -0.249 -1.564 0.578) 1.686 21.283 ( -0.249 1.564 0.578) 1.686 21.518 ( 1.824 -1.975 -3.392) 4.328 21.518 ( 1.824 1.975 -3.392) 4.328 23.014 ( -1.082 -1.983 3.205) 3.921 23.014 ( -1.082 1.983 3.205) 3.921 23.254 ( 1.302 -1.810 -2.372) 3.255 23.254 ( 1.302 1.810 -2.372) 3.255 24.844 ( -6.855 -1.640 10.006) 12.240 24.844 ( -6.855 1.640 10.006) 12.240 25.863 ( 13.189 -4.328 -20.440) 24.708 25.863 ( 13.189 4.328 -20.440) 24.708 27.067 ( -11.935 -11.017 13.996) 21.441 27.067 ( -11.935 11.017 13.996) 21.441 28.043 ( 7.205 -1.136 -2.804) 7.815 28.043 ( 7.205 1.136 -2.804) 7.815 29.039 ( -3.877 -3.633 0.392) 5.327 29.039 ( -3.877 3.633 0.392) 5.327 29.487 ( 2.825 -2.906 -0.246) 4.061 29.487 ( 2.825 2.906 -0.246) 4.061 30.188 ( -1.306 -1.102 1.497) 2.272 30.188 ( -1.306 1.102 1.497) 2.272 30.314 ( 1.891 -0.401 -0.449) 1.985 30.314 ( 1.891 0.401 -0.449) 1.985 31.241 ( -0.563 -2.882 -0.978) 3.095 31.241 ( -0.563 2.882 -0.978) 3.095 31.356 ( -0.157 -5.871 -0.267) 5.879 31.356 ( -0.157 5.871 -0.267) 5.879 31.662 ( -2.501 -1.988 4.973) 5.911 31.662 ( -2.501 1.988 4.973) 5.911 32.170 ( 7.463 -1.103 -9.925) 12.467 32.170 ( 7.463 1.103 -9.925) 12.467 32.621 ( -7.301 -1.759 12.315) 14.425 32.621 ( -7.301 1.759 12.315) 14.425 33.218 ( 5.579 -2.575 -6.196) 8.726 33.218 ( 5.579 2.575 -6.196) 8.726 33.518 ( -2.823 -2.479 3.662) 5.247 33.518 ( -2.823 2.479 3.662) 5.247 34.039 ( 0.613 -7.861 -3.246) 8.527 34.039 ( 0.613 7.861 -3.246) 8.527 35.609 ( -1.317 -0.313 1.466) 1.995 35.609 ( -1.317 0.313 1.466) 1.995 35.804 ( 2.248 -2.364 -4.887) 5.876 35.804 ( 2.248 2.364 -4.887) 5.876 36.036 ( -0.015 -3.625 4.223) 5.565 36.036 ( -0.015 3.625 4.223) 5.565 36.178 ( 1.599 -1.095 -0.746) 2.077 36.178 ( 1.599 1.095 -0.746) 2.077 36.267 ( -1.785 -1.680 1.731) 3.000 36.267 ( -1.785 1.680 1.731) 3.000 36.476 ( -0.678 -3.334 -0.842) 3.505 36.476 ( -0.678 3.334 -0.842) 3.505 37.662 ( -1.434 -11.376 -5.135) 12.564 37.662 ( -1.434 11.376 -5.135) 12.564 38.553 ( -0.098 -4.312 2.610) 5.041 38.553 ( -0.098 4.312 2.610) 5.041 ======================= Grid point 69 (36/64) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.079 -3.547 -0.320) 3.562 1.262 ( 0.079 3.547 -0.320) 3.562 1.345 ( -2.008 -0.622 -2.536) 3.293 1.345 ( -2.008 0.622 -2.536) 3.293 1.601 ( -0.557 -0.778 -1.304) 1.617 1.601 ( -0.557 0.778 -1.304) 1.617 1.690 ( 3.865 -9.670 -4.879) 11.500 1.690 ( 3.865 9.670 -4.879) 11.500 1.769 ( 1.087 -0.633 -2.461) 2.764 1.769 ( 1.087 0.633 -2.461) 2.764 1.976 ( -7.186 -4.281 2.821) 8.827 1.976 ( -7.186 4.281 2.821) 8.827 2.175 ( 0.674 -0.579 4.586) 4.672 2.175 ( 0.674 0.579 4.586) 4.672 2.302 ( 0.528 -1.363 -9.628) 9.738 2.302 ( 0.528 1.363 -9.628) 9.738 2.510 ( 0.544 -4.883 -3.699) 6.150 2.510 ( 0.544 4.883 -3.699) 6.150 2.677 ( -0.587 -5.410 -8.806) 10.352 2.677 ( -0.587 5.410 -8.806) 10.352 2.887 ( -4.344 -12.715 2.968) 13.760 2.887 ( -4.344 12.715 2.968) 13.760 2.984 ( 1.998 -1.694 1.337) 2.941 2.984 ( 1.998 1.694 1.337) 2.941 3.077 ( -0.552 -6.249 1.374) 6.422 3.077 ( -0.552 6.249 1.374) 6.422 3.464 ( 1.489 -7.612 4.065) 8.757 3.464 ( 1.489 7.612 4.065) 8.757 3.514 ( -8.316 -5.266 3.491) 10.444 3.514 ( -8.316 5.266 3.491) 10.444 3.705 ( 0.065 -8.612 4.557) 9.744 3.705 ( 0.065 8.612 4.557) 9.744 3.875 ( -1.654 -1.559 -5.419) 5.877 3.875 ( -1.654 1.559 -5.419) 5.877 4.054 ( -1.806 -1.551 10.558) 10.823 4.054 ( -1.806 1.551 10.558) 10.823 4.180 ( -7.632 -2.539 0.620) 8.067 4.180 ( -7.632 2.539 0.620) 8.067 4.438 ( -3.021 -3.442 -3.460) 5.740 4.438 ( -3.021 3.442 -3.460) 5.740 4.531 ( 0.901 -2.685 -4.460) 5.283 4.531 ( 0.901 2.685 -4.460) 5.283 4.731 ( 0.397 -4.679 -1.891) 5.062 4.731 ( 0.397 4.679 -1.891) 5.062 4.909 ( 0.229 -2.236 0.421) 2.287 4.909 ( 0.229 2.236 0.421) 2.287 4.955 ( -0.661 -5.598 0.894) 5.708 4.955 ( -0.661 5.598 0.894) 5.708 5.116 ( 1.149 -2.042 -0.248) 2.356 5.116 ( 1.149 2.042 -0.248) 2.356 5.296 ( 5.471 -2.169 -1.164) 5.999 5.296 ( 5.471 2.169 -1.164) 5.999 5.431 ( 0.374 -4.367 -2.794) 5.198 5.431 ( 0.374 4.367 -2.794) 5.198 5.546 ( 2.733 -2.124 -0.553) 3.506 5.546 ( 2.733 2.124 -0.553) 3.506 5.649 ( -2.884 -1.033 0.890) 3.190 5.649 ( -2.884 1.033 0.890) 3.190 5.897 ( -2.282 -3.969 -1.705) 4.885 5.897 ( -2.282 3.969 -1.705) 4.885 6.019 ( 5.271 -6.978 -3.160) 9.299 6.019 ( 5.271 6.978 -3.160) 9.299 6.362 ( 0.982 -3.662 3.872) 5.419 6.362 ( 0.982 3.662 3.872) 5.419 6.533 ( -0.535 -0.543 -4.023) 4.094 6.533 ( -0.535 0.543 -4.023) 4.094 6.630 ( 3.381 -3.279 -2.382) 5.278 6.630 ( 3.381 3.279 -2.382) 5.278 6.867 ( 2.844 -0.635 4.855) 5.662 6.867 ( 2.844 0.635 4.855) 5.662 7.143 ( -1.679 -3.915 4.267) 6.029 7.143 ( -1.679 3.915 4.267) 6.029 7.457 ( -0.358 -3.441 2.682) 4.378 7.457 ( -0.358 3.441 2.682) 4.378 7.638 ( -0.167 -4.113 -3.600) 5.469 7.638 ( -0.167 4.113 -3.600) 5.469 7.956 ( -4.431 -4.533 1.580) 6.533 7.956 ( -4.431 4.533 1.580) 6.533 8.148 ( 0.931 -4.998 -1.084) 5.198 8.148 ( 0.931 4.998 -1.084) 5.198 8.556 ( 0.318 -1.356 0.011) 1.393 8.556 ( 0.318 1.356 0.011) 1.393 8.600 ( 2.752 -1.344 -0.504) 3.104 8.600 ( 2.752 1.344 -0.504) 3.104 8.677 ( 0.225 -1.079 2.305) 2.555 8.677 ( 0.225 1.079 2.305) 2.555 8.810 ( 3.694 -1.264 -2.294) 4.529 8.810 ( 3.694 1.264 -2.294) 4.529 9.214 ( -0.140 -0.916 -0.181) 0.945 9.214 ( -0.140 0.916 -0.181) 0.945 9.305 ( -1.656 -0.666 0.082) 1.787 9.305 ( -1.656 0.666 0.082) 1.787 9.609 ( -0.116 -5.018 1.273) 5.178 9.609 ( -0.116 5.018 1.273) 5.178 9.895 ( 1.263 -4.013 -4.080) 5.860 9.895 ( 1.263 4.013 -4.080) 5.860 10.365 ( -3.981 -3.159 3.513) 6.178 10.365 ( -3.981 3.159 3.513) 6.178 10.636 ( -0.195 -4.858 -3.665) 6.089 10.636 ( -0.195 4.858 -3.665) 6.089 11.209 ( 1.307 -2.084 0.015) 2.460 11.209 ( 1.307 2.084 0.015) 2.460 11.288 ( -1.364 -1.696 0.275) 2.194 11.288 ( -1.364 1.696 0.275) 2.194 11.404 ( 2.235 -2.040 -0.101) 3.028 11.404 ( 2.235 2.040 -0.101) 3.028 11.567 ( 0.076 -1.127 1.026) 1.526 11.567 ( 0.076 1.127 1.026) 1.526 11.917 ( -1.208 -1.286 2.264) 2.871 11.917 ( -1.208 1.286 2.264) 2.871 12.068 ( 1.775 -0.665 -1.172) 2.228 12.068 ( 1.775 0.665 -1.172) 2.228 12.434 ( -1.219 -5.313 3.491) 6.473 12.434 ( -1.219 5.313 3.491) 6.473 12.541 ( 1.044 -2.633 1.136) 3.051 12.541 ( 1.044 2.633 1.136) 3.051 13.077 ( -1.679 -0.567 5.141) 5.438 13.077 ( -1.679 0.567 5.141) 5.438 13.265 ( -0.405 -1.035 4.667) 4.797 13.265 ( -0.405 1.035 4.667) 4.797 13.445 ( 1.460 -2.957 -3.319) 4.679 13.445 ( 1.460 2.957 -3.319) 4.679 13.886 ( 5.197 -3.029 -12.955) 14.283 13.886 ( 5.197 3.029 -12.955) 14.283 14.147 ( -1.890 -0.708 2.247) 3.020 14.147 ( -1.890 0.708 2.247) 3.020 14.239 ( -2.122 -4.379 2.864) 5.646 14.239 ( -2.122 4.379 2.864) 5.646 14.427 ( -0.254 -3.230 0.317) 3.255 14.427 ( -0.254 3.230 0.317) 3.255 14.807 ( 2.379 -2.534 -0.890) 3.588 14.807 ( 2.379 2.534 -0.890) 3.588 15.163 ( -0.029 -6.490 0.622) 6.519 15.163 ( -0.029 6.490 0.622) 6.519 15.332 ( 1.503 -1.183 -4.084) 4.510 15.332 ( 1.503 1.183 -4.084) 4.510 15.453 ( -2.871 -3.887 -0.502) 4.859 15.453 ( -2.871 3.887 -0.502) 4.859 15.765 ( -4.443 -2.410 4.426) 6.718 15.765 ( -4.443 2.410 4.426) 6.718 15.909 ( -2.531 -2.565 1.529) 3.915 15.909 ( -2.531 2.565 1.529) 3.915 16.284 ( 4.569 -2.318 -5.960) 7.859 16.284 ( 4.569 2.318 -5.960) 7.859 16.523 ( -5.329 -2.117 5.535) 7.969 16.523 ( -5.329 2.117 5.535) 7.969 16.923 ( 4.336 -2.260 -3.817) 6.204 16.923 ( 4.336 2.260 -3.817) 6.204 17.453 ( 0.037 -0.711 -0.022) 0.713 17.453 ( 0.037 0.711 -0.022) 0.713 17.517 ( 0.186 -1.025 0.740) 1.277 17.517 ( 0.186 1.025 0.740) 1.277 20.515 ( 0.427 -1.223 0.481) 1.382 20.515 ( 0.427 1.223 0.481) 1.382 20.704 ( 1.968 -2.214 -1.059) 3.145 20.704 ( 1.968 2.214 -1.059) 3.145 20.862 ( -1.596 -1.642 3.190) 3.927 20.862 ( -1.596 1.642 3.190) 3.927 20.950 ( -1.632 -3.591 -0.076) 3.946 20.950 ( -1.632 3.591 -0.076) 3.946 21.293 ( 0.113 -1.173 1.147) 1.645 21.293 ( 0.113 1.173 1.147) 1.645 21.514 ( 2.364 -1.568 -3.638) 4.614 21.514 ( 2.364 1.568 -3.638) 4.614 23.029 ( -1.599 -3.245 3.257) 4.868 23.029 ( -1.599 3.245 3.257) 4.868 23.247 ( 1.182 -1.451 -2.595) 3.200 23.247 ( 1.182 1.451 -2.595) 3.200 24.838 ( -6.705 -1.785 9.557) 11.810 24.838 ( -6.705 1.785 9.557) 11.810 25.865 ( 13.600 -5.962 -19.835) 24.778 25.865 ( 13.600 5.962 -19.835) 24.778 26.992 ( -14.877 -7.987 14.198) 22.061 26.992 ( -14.877 7.987 14.198) 22.061 28.086 ( 2.273 -2.290 -3.677) 4.892 28.086 ( 2.273 2.290 -3.677) 4.892 29.019 ( -0.309 -2.825 1.837) 3.383 29.019 ( -0.309 2.825 1.837) 3.383 29.536 ( 3.597 -1.650 -1.254) 4.152 29.536 ( 3.597 1.650 -1.254) 4.152 30.172 ( -2.042 -0.608 1.388) 2.543 30.172 ( -2.042 0.608 1.388) 2.543 30.354 ( 3.088 -1.208 -1.113) 3.498 30.354 ( 3.088 1.208 -1.113) 3.498 31.215 ( -2.102 -3.714 0.442) 4.290 31.215 ( -2.102 3.714 0.442) 4.290 31.344 ( 0.093 -4.494 -1.066) 4.619 31.344 ( 0.093 4.494 -1.066) 4.619 31.674 ( -2.628 -1.671 4.615) 5.568 31.674 ( -2.628 1.671 4.615) 5.568 32.193 ( 8.110 -1.314 -10.135) 13.046 32.193 ( 8.110 1.314 -10.135) 13.046 32.635 ( -7.308 -1.412 12.352) 14.421 32.635 ( -7.308 1.412 12.352) 14.421 33.234 ( 4.786 -3.380 -6.826) 8.996 33.234 ( 4.786 3.380 -6.826) 8.996 33.543 ( 0.206 -5.323 4.625) 7.054 33.543 ( 0.206 5.323 4.625) 7.054 33.994 ( -1.338 -6.267 -3.499) 7.302 33.994 ( -1.338 6.267 -3.499) 7.302 35.598 ( -1.846 -0.639 1.448) 2.432 35.598 ( -1.846 0.639 1.448) 2.432 35.797 ( 2.500 -1.796 -3.639) 4.766 35.797 ( 2.500 1.796 -3.639) 4.766 36.069 ( 0.411 -6.535 1.381) 6.692 36.069 ( 0.411 6.535 1.381) 6.692 36.221 ( 3.131 -3.996 0.952) 5.165 36.221 ( 3.131 3.996 0.952) 5.165 36.273 ( -0.028 -3.740 0.888) 3.844 36.273 ( -0.028 3.740 0.888) 3.844 36.470 ( 1.267 -3.347 -0.284) 3.590 36.470 ( 1.267 3.347 -0.284) 3.590 37.560 ( -4.397 -6.103 -3.675) 8.372 37.560 ( -4.397 6.103 -3.675) 8.372 38.558 ( -2.154 -2.556 2.038) 3.915 38.558 ( -2.154 2.556 2.038) 3.915 ======================= Grid point 71 (37/64) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -1.255 -3.878 -3.720) 5.518 1.217 ( -1.255 3.878 -3.720) 5.518 1.332 ( -0.065 -1.393 1.540) 2.078 1.332 ( -0.065 1.393 1.540) 2.078 1.585 ( -0.182 -2.830 -0.097) 2.838 1.585 ( -0.182 2.830 -0.097) 2.838 1.647 ( 3.004 -6.850 -7.740) 10.764 1.647 ( 3.004 6.850 -7.740) 10.764 1.774 ( 0.360 -3.237 -1.396) 3.543 1.774 ( 0.360 3.237 -1.396) 3.543 1.994 ( -2.592 -7.182 9.926) 12.523 1.994 ( -2.592 7.182 9.926) 12.523 2.174 ( -1.834 -1.291 -1.381) 2.634 2.174 ( -1.834 1.291 -1.381) 2.634 2.209 ( -0.906 -2.775 -7.043) 7.624 2.209 ( -0.906 2.775 -7.043) 7.624 2.505 ( 3.118 -4.480 -1.137) 5.575 2.505 ( 3.118 4.480 -1.137) 5.575 2.608 ( 1.655 -4.351 -3.377) 5.751 2.608 ( 1.655 4.351 -3.377) 5.751 2.812 ( -4.244 -10.701 -1.952) 11.676 2.812 ( -4.244 10.701 -1.952) 11.676 2.998 ( 0.783 -3.503 -0.905) 3.702 2.998 ( 0.783 3.503 -0.905) 3.702 3.125 ( -2.901 -9.610 9.853) 14.066 3.125 ( -2.901 9.610 9.853) 14.066 3.388 ( -10.812 -6.055 5.162) 13.424 3.388 ( -10.812 6.055 5.162) 13.424 3.559 ( 6.345 -5.666 -1.051) 8.571 3.559 ( 6.345 5.666 -1.051) 8.571 3.711 ( -4.557 -2.268 -6.853) 8.536 3.711 ( -4.557 2.268 -6.853) 8.536 3.825 ( 3.246 -7.464 6.293) 10.288 3.825 ( 3.246 7.464 6.293) 10.288 4.037 ( -5.593 -0.565 -1.668) 5.864 4.037 ( -5.593 0.565 -1.668) 5.864 4.183 ( 0.363 -6.783 9.208) 11.442 4.183 ( 0.363 6.783 9.208) 11.442 4.336 ( -6.175 -0.716 1.119) 6.316 4.336 ( -6.175 0.716 1.119) 6.316 4.546 ( 3.058 -1.154 -1.573) 3.627 4.546 ( 3.058 1.154 -1.573) 3.627 4.730 ( 0.848 -4.894 0.471) 4.990 4.730 ( 0.848 4.894 0.471) 4.990 4.877 ( -5.390 -1.658 1.371) 5.803 4.877 ( -5.390 1.658 1.371) 5.803 4.939 ( -0.808 -1.331 -1.776) 2.362 4.939 ( -0.808 1.331 -1.776) 2.362 5.142 ( 1.092 -6.668 0.124) 6.758 5.142 ( 1.092 6.668 0.124) 6.758 5.332 ( 2.636 -3.242 -4.282) 5.983 5.332 ( 2.636 3.242 -4.282) 5.983 5.454 ( 4.660 -7.878 -1.689) 9.307 5.454 ( 4.660 7.878 -1.689) 9.307 5.571 ( 0.046 -2.389 3.465) 4.209 5.571 ( 0.046 2.389 3.465) 4.209 5.647 ( 3.364 -3.331 -3.918) 6.145 5.647 ( 3.364 3.331 -3.918) 6.145 5.867 ( 1.747 -3.217 -0.648) 3.718 5.867 ( 1.747 3.217 -0.648) 3.718 6.059 ( 1.750 -3.528 -1.605) 4.253 6.059 ( 1.750 3.528 -1.605) 4.253 6.380 ( -3.806 -3.562 3.175) 6.103 6.380 ( -3.806 3.562 3.175) 6.103 6.497 ( -0.533 -3.436 -0.846) 3.579 6.497 ( -0.533 3.436 -0.846) 3.579 6.638 ( 1.891 -3.970 -3.678) 5.733 6.638 ( 1.891 3.970 -3.678) 5.733 6.960 ( 4.846 -3.106 -0.014) 5.756 6.960 ( 4.846 3.106 -0.014) 5.756 7.188 ( -0.484 -4.112 5.941) 7.242 7.188 ( -0.484 4.112 5.941) 7.242 7.488 ( 1.033 -3.401 1.352) 3.803 7.488 ( 1.033 3.401 1.352) 3.803 7.589 ( -2.015 -2.593 -1.793) 3.741 7.589 ( -2.015 2.593 -1.793) 3.741 7.895 ( -3.763 -2.402 0.812) 4.537 7.895 ( -3.763 2.402 0.812) 4.537 8.144 ( 0.582 -3.516 -1.987) 4.080 8.144 ( 0.582 3.516 -1.987) 4.080 8.550 ( -0.493 -1.447 -0.248) 1.549 8.550 ( -0.493 1.447 -0.248) 1.549 8.642 ( 2.107 -2.906 -0.517) 3.627 8.642 ( 2.107 2.906 -0.517) 3.627 8.706 ( -0.028 -2.483 2.345) 3.416 8.706 ( -0.028 2.483 2.345) 3.416 8.856 ( 5.006 -1.408 -2.936) 5.972 8.856 ( 5.006 1.408 -2.936) 5.972 9.206 ( -0.018 -0.180 -0.263) 0.319 9.206 ( -0.018 0.180 -0.263) 0.319 9.276 ( -2.400 -1.176 0.785) 2.786 9.276 ( -2.400 1.176 0.785) 2.786 9.620 ( -0.128 -4.695 0.862) 4.775 9.620 ( -0.128 4.695 0.862) 4.775 9.871 ( 1.411 -2.684 -3.996) 5.017 9.871 ( 1.411 2.684 -3.996) 5.017 10.343 ( -3.967 -2.801 4.670) 6.738 10.343 ( -3.967 2.801 4.670) 6.738 10.601 ( 0.318 -3.069 -2.471) 3.953 10.601 ( 0.318 3.069 -2.471) 3.953 11.228 ( 1.016 -1.741 -0.441) 2.064 11.228 ( 1.016 1.741 -0.441) 2.064 11.266 ( -0.846 -0.819 -0.573) 1.309 11.266 ( -0.846 0.819 -0.573) 1.309 11.438 ( 1.725 -2.232 -0.223) 2.830 11.438 ( 1.725 2.232 -0.223) 2.830 11.577 ( 0.009 -2.082 0.962) 2.294 11.577 ( 0.009 2.082 0.962) 2.294 11.919 ( -0.928 -2.214 1.225) 2.695 11.919 ( -0.928 2.214 1.225) 2.695 12.081 ( 1.069 -1.157 -1.020) 1.877 12.081 ( 1.069 1.157 -1.020) 1.877 12.438 ( -1.615 -5.160 1.466) 5.602 12.438 ( -1.615 5.160 1.466) 5.602 12.559 ( 0.554 -1.857 -0.803) 2.098 12.559 ( 0.554 1.857 -0.803) 2.098 13.100 ( -2.263 -0.606 4.449) 5.028 13.100 ( -2.263 0.606 4.449) 5.028 13.290 ( -1.106 -0.426 1.660) 2.039 13.290 ( -1.106 0.426 1.660) 2.039 13.443 ( 1.726 -2.503 -1.517) 3.398 13.443 ( 1.726 2.503 -1.517) 3.398 13.832 ( 5.084 -4.520 -11.856) 13.669 13.832 ( 5.084 4.520 -11.856) 13.669 14.133 ( -2.435 -0.695 2.216) 3.364 14.133 ( -2.435 0.695 2.216) 3.364 14.266 ( 0.118 -4.641 4.596) 6.533 14.266 ( 0.118 4.641 4.596) 6.533 14.436 ( -0.172 -2.849 2.227) 3.620 14.436 ( -0.172 2.849 2.227) 3.620 14.841 ( 3.715 -3.186 -2.257) 5.389 14.841 ( 3.715 3.186 -2.257) 5.389 15.150 ( -3.313 -5.043 2.160) 6.408 15.150 ( -3.313 5.043 2.160) 6.408 15.344 ( 4.670 -0.124 -3.713) 5.967 15.344 ( 4.670 0.124 -3.713) 5.967 15.403 ( -2.294 -4.866 -0.481) 5.401 15.403 ( -2.294 4.866 -0.481) 5.401 15.736 ( -5.544 -3.388 5.098) 8.258 15.736 ( -5.544 3.388 5.098) 8.258 15.883 ( -2.084 -1.707 1.115) 2.916 15.883 ( -2.084 1.707 1.115) 2.916 16.286 ( 3.846 -1.197 -6.064) 7.280 16.286 ( 3.846 1.197 -6.064) 7.280 16.502 ( -4.496 -0.368 5.829) 7.370 16.502 ( -4.496 0.368 5.829) 7.370 16.941 ( 3.417 -2.038 -4.587) 6.072 16.941 ( 3.417 2.038 -4.587) 6.072 17.456 ( 0.075 -0.659 0.398) 0.773 17.456 ( 0.075 0.659 0.398) 0.773 17.523 ( -0.023 -0.424 0.058) 0.428 17.523 ( -0.023 0.424 0.058) 0.428 20.533 ( 0.817 -1.527 0.460) 1.792 20.533 ( 0.817 1.527 0.460) 1.792 20.730 ( 1.696 -2.848 -0.284) 3.327 20.730 ( 1.696 2.848 -0.284) 3.327 20.854 ( -1.525 -1.990 0.209) 2.516 20.854 ( -1.525 1.990 0.209) 2.516 20.937 ( -1.429 -2.941 2.659) 4.215 20.937 ( -1.429 2.941 2.659) 4.215 21.306 ( -0.421 -0.943 1.540) 1.854 21.306 ( -0.421 0.943 1.540) 1.854 21.518 ( 2.884 -0.860 -3.649) 4.730 21.518 ( 2.884 0.860 -3.649) 4.730 23.030 ( -2.139 -4.832 2.559) 5.871 23.030 ( -2.139 4.832 2.559) 5.871 23.240 ( 1.424 -1.055 -2.475) 3.044 23.240 ( 1.424 1.055 -2.475) 3.044 24.834 ( -6.373 -1.777 9.411) 11.503 24.834 ( -6.373 1.777 9.411) 11.503 25.877 ( 13.896 -6.550 -19.713) 24.992 25.877 ( 13.896 6.550 -19.713) 24.992 26.915 ( -14.150 -6.233 16.146) 22.356 26.915 ( -14.150 6.233 16.146) 22.356 28.047 ( 0.840 -3.757 -7.616) 8.533 28.047 ( 0.840 3.757 -7.616) 8.533 29.054 ( 0.370 -2.676 3.867) 4.717 29.054 ( 0.370 2.676 3.867) 4.717 29.569 ( 2.835 -1.502 -2.571) 4.111 29.569 ( 2.835 1.502 -2.571) 4.111 30.157 ( -1.489 -0.114 1.105) 1.857 30.157 ( -1.489 0.114 1.105) 1.857 30.379 ( 2.006 -1.005 -1.715) 2.824 30.379 ( 2.006 1.005 -1.715) 2.824 31.193 ( -1.376 -2.982 1.217) 3.502 31.193 ( -1.376 2.982 1.217) 3.502 31.335 ( -0.405 -3.623 -0.489) 3.678 31.335 ( -0.405 3.623 -0.489) 3.678 31.678 ( -2.313 -1.923 3.696) 4.765 31.678 ( -2.313 1.923 3.696) 4.765 32.207 ( 7.454 -1.425 -10.839) 13.232 32.207 ( 7.454 1.425 -10.839) 13.232 32.646 ( -7.321 -0.718 11.497) 13.649 32.646 ( -7.321 0.718 11.497) 13.649 33.225 ( 3.938 -2.972 -7.796) 9.226 33.225 ( 3.938 2.972 -7.796) 9.226 33.610 ( 0.773 -6.688 5.156) 8.480 33.610 ( 0.773 6.688 5.156) 8.480 33.936 ( -1.145 -3.529 -2.497) 4.473 33.936 ( -1.145 3.529 -2.497) 4.473 35.586 ( -1.638 -1.005 1.774) 2.615 35.586 ( -1.638 1.005 1.774) 2.615 35.805 ( 2.545 -1.446 -2.676) 3.966 35.805 ( 2.545 1.446 -2.676) 3.966 36.071 ( 0.146 -7.214 -2.308) 7.576 36.071 ( 0.146 7.214 -2.308) 7.576 36.255 ( -0.048 -1.534 -1.047) 1.858 36.255 ( -0.048 1.534 -1.047) 1.858 36.308 ( 2.822 -2.558 3.082) 4.899 36.308 ( 2.822 2.558 3.082) 4.899 36.507 ( 1.734 -3.098 1.026) 3.696 36.507 ( 1.734 3.098 1.026) 3.696 37.474 ( -3.392 -3.359 1.196) 4.921 37.474 ( -3.392 3.359 1.196) 4.921 38.532 ( -2.403 -2.265 0.241) 3.311 38.532 ( -2.403 2.265 0.241) 3.311 ======================= Grid point 73 (38/64) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 3.195 -2.465 0.150) 4.038 1.210 ( 3.195 2.465 0.150) 4.038 1.344 ( -1.223 -1.606 1.993) 2.837 1.344 ( -1.223 1.606 1.993) 2.837 1.584 ( -2.250 -4.141 -0.068) 4.713 1.584 ( -2.250 4.141 -0.068) 4.713 1.632 ( 1.676 -7.674 -4.352) 8.980 1.632 ( 1.676 7.674 -4.352) 8.980 1.776 ( 4.871 -3.464 -0.852) 6.037 1.776 ( 4.871 3.464 -0.852) 6.037 1.974 ( -3.478 -3.988 1.668) 5.548 1.974 ( -3.478 3.988 1.668) 5.548 2.078 ( -1.653 -4.785 -7.756) 9.262 2.078 ( -1.653 4.785 -7.756) 9.262 2.231 ( 4.096 -5.682 -0.010) 7.004 2.231 ( 4.096 5.682 -0.010) 7.004 2.592 ( 3.570 -7.940 3.032) 9.218 2.592 ( 3.570 7.940 3.032) 9.218 2.653 ( 7.350 -6.107 -2.914) 9.991 2.653 ( 7.350 6.107 -2.914) 9.991 2.776 ( 1.515 -5.874 1.677) 6.294 2.776 ( 1.515 5.874 1.677) 6.294 2.982 ( -2.236 -7.862 0.876) 8.221 2.982 ( -2.236 7.862 0.876) 8.221 3.192 ( -2.930 -6.721 10.438) 12.755 3.192 ( -2.930 6.721 10.438) 12.755 3.314 ( -3.905 -4.656 5.539) 8.222 3.314 ( -3.905 4.656 5.539) 8.222 3.534 ( -1.406 -4.531 -9.164) 10.319 3.534 ( -1.406 4.531 -9.164) 10.319 3.631 ( -1.620 -2.459 0.873) 3.071 3.631 ( -1.620 2.459 0.873) 3.071 3.905 ( -3.049 -2.469 -3.945) 5.564 3.905 ( -3.049 2.469 -3.945) 5.564 3.991 ( 2.670 -3.531 6.094) 7.532 3.991 ( 2.670 3.531 6.094) 7.532 4.261 ( -7.545 -2.939 6.205) 10.201 4.261 ( -7.545 2.939 6.205) 10.201 4.279 ( 2.660 -3.659 4.582) 6.438 4.279 ( 2.660 3.659 4.582) 6.438 4.598 ( 3.896 -4.136 0.820) 5.740 4.598 ( 3.896 4.136 0.820) 5.740 4.763 ( 2.189 -3.708 -0.960) 4.412 4.763 ( 2.189 3.708 -0.960) 4.412 4.797 ( -5.381 -1.405 3.489) 6.565 4.797 ( -5.381 1.405 3.489) 6.565 4.921 ( 1.795 -2.085 -2.585) 3.775 4.921 ( 1.795 2.085 -2.585) 3.775 5.136 ( 1.355 -6.606 -3.069) 7.409 5.136 ( 1.355 6.606 -3.069) 7.409 5.347 ( 0.322 -3.614 1.013) 3.767 5.347 ( 0.322 3.614 1.013) 3.767 5.482 ( 1.076 -5.208 -2.243) 5.772 5.482 ( 1.076 5.208 -2.243) 5.772 5.551 ( -1.612 -6.413 -1.688) 6.825 5.551 ( -1.612 6.413 -1.688) 6.825 5.711 ( 5.900 -4.328 -1.701) 7.512 5.711 ( 5.900 4.328 -1.701) 7.512 5.910 ( -0.768 -1.548 1.516) 2.299 5.910 ( -0.768 1.548 1.516) 2.299 6.061 ( 2.194 -0.710 0.042) 2.306 6.061 ( 2.194 0.710 0.042) 2.306 6.316 ( -4.081 -2.508 -1.459) 5.007 6.316 ( -4.081 2.508 -1.459) 5.007 6.514 ( 0.855 -3.660 3.360) 5.041 6.514 ( 0.855 3.660 3.360) 5.041 6.621 ( 1.114 -2.062 -4.072) 4.698 6.621 ( 1.114 2.062 -4.072) 4.698 7.011 ( 1.662 -5.070 -1.017) 5.432 7.011 ( 1.662 5.070 -1.017) 5.432 7.204 ( -5.119 -3.612 3.519) 7.186 7.204 ( -5.119 3.612 3.519) 7.186 7.475 ( -2.553 -2.622 -0.197) 3.665 7.475 ( -2.553 2.622 -0.197) 3.665 7.592 ( 2.904 -1.618 1.135) 3.513 7.592 ( 2.904 1.618 1.135) 3.513 7.868 ( -0.422 -1.094 0.526) 1.285 7.868 ( -0.422 1.094 0.526) 1.285 8.126 ( 0.698 -1.872 -2.847) 3.478 8.126 ( 0.698 1.872 -2.847) 3.478 8.543 ( 0.120 -1.435 -0.169) 1.450 8.543 ( 0.120 1.435 -0.169) 1.450 8.650 ( 0.225 -2.378 -1.412) 2.775 8.650 ( 0.225 2.378 -1.412) 2.775 8.717 ( -1.877 -2.581 2.129) 3.836 8.717 ( -1.877 2.581 2.129) 3.836 8.885 ( 2.087 -0.772 -3.194) 3.893 8.885 ( 2.087 0.772 -3.194) 3.893 9.221 ( 1.144 -1.543 1.051) 2.190 9.221 ( 1.144 1.543 1.051) 2.190 9.252 ( -1.122 -1.618 0.756) 2.109 9.252 ( -1.122 1.618 0.756) 2.109 9.621 ( -0.609 -3.682 0.532) 3.770 9.621 ( -0.609 3.682 0.532) 3.770 9.862 ( 2.441 -1.408 -3.491) 4.487 9.862 ( 2.441 1.408 -3.491) 4.487 10.339 ( -2.709 -2.742 4.830) 6.179 10.339 ( -2.709 2.742 4.830) 6.179 10.600 ( 2.162 -1.170 -1.418) 2.838 10.600 ( 2.162 1.170 -1.418) 2.838 11.227 ( -0.393 -0.465 -0.691) 0.921 11.227 ( -0.393 0.465 -0.691) 0.921 11.251 ( 0.476 -1.128 -1.473) 1.916 11.251 ( 0.476 1.128 -1.473) 1.916 11.446 ( -0.228 -1.389 -0.655) 1.553 11.446 ( -0.228 1.389 -0.655) 1.553 11.590 ( -0.193 -2.090 1.432) 2.541 11.590 ( -0.193 2.090 1.432) 2.541 11.913 ( -1.011 -2.285 0.625) 2.576 11.913 ( -1.011 2.285 0.625) 2.576 12.080 ( 0.422 -1.048 -1.237) 1.675 12.080 ( 0.422 1.048 -1.237) 1.675 12.417 ( -1.839 -3.915 0.319) 4.338 12.417 ( -1.839 3.915 0.319) 4.338 12.539 ( -0.408 -0.805 -2.621) 2.772 12.539 ( -0.408 0.805 -2.621) 2.772 13.095 ( -3.156 -1.621 3.196) 4.775 13.095 ( -3.156 1.621 3.196) 4.775 13.265 ( -2.387 -1.358 -0.267) 2.759 13.265 ( -2.387 1.358 -0.267) 2.759 13.463 ( 1.492 -1.880 -0.247) 2.413 13.463 ( 1.492 1.880 -0.247) 2.413 13.805 ( 6.706 -4.629 -10.694) 13.444 13.805 ( 6.706 4.629 -10.694) 13.444 14.124 ( -1.630 -1.733 2.360) 3.351 14.124 ( -1.630 1.733 2.360) 3.351 14.325 ( 0.696 -3.681 4.228) 5.648 14.325 ( 0.696 3.681 4.228) 5.648 14.465 ( -1.894 -2.125 5.688) 6.361 14.465 ( -1.894 2.125 5.688) 6.361 14.877 ( 4.013 -3.897 -3.088) 6.390 14.877 ( 4.013 3.897 -3.088) 6.390 15.109 ( -4.624 -3.502 2.739) 6.415 15.109 ( -4.624 3.502 2.739) 6.415 15.372 ( 0.433 -3.952 -0.719) 4.040 15.372 ( 0.433 3.952 -0.719) 4.040 15.394 ( 4.806 -1.118 -2.831) 5.688 15.394 ( 4.806 1.118 -2.831) 5.688 15.690 ( -4.688 -4.174 2.353) 6.704 15.690 ( -4.688 4.174 2.353) 6.704 15.880 ( -0.943 -2.267 3.117) 3.968 15.880 ( -0.943 2.267 3.117) 3.968 16.284 ( 3.763 -1.228 -5.984) 7.175 16.284 ( 3.763 1.228 -5.984) 7.175 16.506 ( -3.235 -1.266 6.466) 7.340 16.506 ( -3.235 1.266 6.466) 7.340 16.936 ( 2.592 -1.304 -5.328) 6.067 16.936 ( 2.592 1.304 -5.328) 6.067 17.463 ( -0.025 -0.811 0.782) 1.127 17.463 ( -0.025 0.811 0.782) 1.127 17.517 ( -0.381 -0.361 -0.553) 0.762 17.517 ( -0.381 0.361 -0.553) 0.762 20.542 ( -0.349 -1.141 0.410) 1.262 20.542 ( -0.349 1.141 0.410) 1.262 20.743 ( 0.483 -2.607 -0.603) 2.719 20.743 ( 0.483 2.607 -0.603) 2.719 20.835 ( -0.471 -1.984 -0.234) 2.052 20.835 ( -0.471 1.984 -0.234) 2.052 20.955 ( -1.296 -3.184 4.190) 5.420 20.955 ( -1.296 3.184 4.190) 5.420 21.310 ( -1.123 -0.693 1.520) 2.013 21.310 ( -1.123 0.693 1.520) 2.013 21.526 ( 2.698 -1.066 -3.529) 4.569 21.526 ( 2.698 1.066 -3.529) 4.569 23.018 ( -2.055 -5.046 1.814) 5.742 23.018 ( -2.055 5.046 1.814) 5.742 23.241 ( 1.696 -1.378 -2.169) 3.079 23.241 ( 1.696 1.378 -2.169) 3.079 24.834 ( -6.192 -1.491 9.702) 11.606 24.834 ( -6.192 1.491 9.702) 11.606 25.888 ( 13.868 -5.344 -20.368) 25.214 25.888 ( 13.868 5.344 -20.368) 25.214 26.893 ( -11.112 -4.419 18.437) 21.976 26.893 ( -11.112 4.419 18.437) 21.976 27.967 ( 2.956 -2.695 -11.844) 12.502 27.967 ( 2.956 2.695 -11.844) 12.502 29.102 ( -1.193 -2.904 5.972) 6.747 29.102 ( -1.193 2.904 5.972) 6.747 29.568 ( 1.262 -1.526 -3.860) 4.338 29.568 ( 1.262 1.526 -3.860) 4.338 30.148 ( -0.734 -0.534 0.726) 1.162 30.148 ( -0.734 0.534 0.726) 1.162 30.387 ( 0.895 -0.588 -1.342) 1.717 30.387 ( 0.895 0.588 -1.342) 1.717 31.200 ( 0.036 -3.231 2.184) 3.900 31.200 ( 0.036 3.231 2.184) 3.900 31.318 ( -0.566 -3.534 -1.088) 3.740 31.318 ( -0.566 3.534 -1.088) 3.740 31.680 ( -2.163 -2.540 3.431) 4.786 31.680 ( -2.163 2.540 3.431) 4.786 32.204 ( 6.923 -1.268 -11.189) 13.218 32.204 ( 6.923 1.268 -11.189) 13.218 32.638 ( -8.222 -0.300 10.492) 13.333 32.638 ( -8.222 0.300 10.492) 13.333 33.200 ( 3.969 -2.124 -8.370) 9.504 33.200 ( 3.969 2.124 -8.370) 9.504 33.649 ( -3.270 -5.667 4.749) 8.084 33.649 ( -3.270 5.667 4.749) 8.084 33.929 ( 2.911 -3.523 -0.982) 4.674 33.929 ( 2.911 3.523 -0.982) 4.674 35.585 ( -1.082 -1.106 2.148) 2.647 35.585 ( -1.082 1.106 2.148) 2.647 35.821 ( 2.609 -1.170 -2.328) 3.687 35.821 ( 2.609 1.170 -2.328) 3.687 36.027 ( -0.884 -6.140 -3.923) 7.340 36.027 ( -0.884 6.140 -3.923) 7.340 36.238 ( -0.136 -1.897 -1.634) 2.507 36.238 ( -0.136 1.897 -1.634) 2.507 36.384 ( 0.482 -2.896 4.715) 5.554 36.384 ( 0.482 2.896 4.715) 5.554 36.518 ( -1.256 -2.753 0.013) 3.025 36.518 ( -1.256 2.753 0.013) 3.025 37.498 ( 1.711 -3.342 5.776) 6.889 37.498 ( 1.711 3.342 5.776) 6.889 38.490 ( -1.313 -3.601 -1.964) 4.307 38.490 ( -1.313 3.601 -1.964) 4.307 ======================= Grid point 75 (39/64) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -1.859 -5.677 1.220) 6.097 1.252 ( -1.859 5.677 1.220) 6.097 1.358 ( 2.848 -1.626 1.664) 3.678 1.358 ( 2.848 1.626 1.664) 3.678 1.534 ( 2.090 -3.524 -2.177) 4.639 1.534 ( 2.090 3.524 -2.177) 4.639 1.669 ( 2.790 -3.974 0.287) 4.864 1.669 ( 2.790 3.974 0.287) 4.864 1.815 ( -0.219 -3.872 -1.090) 4.029 1.815 ( -0.219 3.872 -1.090) 4.029 1.944 ( 1.136 -2.166 -5.661) 6.167 1.944 ( 1.136 2.166 -5.661) 6.167 2.067 ( 2.813 -7.432 2.642) 8.374 2.067 ( 2.813 7.432 2.642) 8.374 2.286 ( 7.913 -6.464 -6.961) 12.364 2.286 ( 7.913 6.464 -6.961) 12.364 2.632 ( 3.658 -4.409 -1.765) 5.994 2.632 ( 3.658 4.409 -1.765) 5.994 2.750 ( 6.841 -9.036 -1.377) 11.417 2.750 ( 6.841 9.036 -1.377) 11.417 2.869 ( 2.448 -1.562 2.600) 3.898 2.869 ( 2.448 1.562 2.600) 3.898 2.961 ( -5.139 -6.699 5.928) 10.316 2.961 ( -5.139 6.699 5.928) 10.316 3.216 ( -0.546 -0.500 -0.470) 0.877 3.216 ( -0.546 0.500 -0.470) 0.877 3.372 ( 0.256 -8.593 5.328) 10.114 3.372 ( 0.256 8.593 5.328) 10.114 3.476 ( 0.496 -5.722 0.833) 5.803 3.476 ( 0.496 5.722 0.833) 5.803 3.587 ( -4.427 -1.848 4.738) 6.742 3.587 ( -4.427 1.848 4.738) 6.742 3.801 ( -0.387 -3.002 -6.801) 7.444 3.801 ( -0.387 3.002 -6.801) 7.444 4.049 ( -4.018 -2.274 3.680) 5.904 4.049 ( -4.018 2.274 3.680) 5.904 4.220 ( -2.427 -1.470 5.796) 6.454 4.220 ( -2.427 1.470 5.796) 6.454 4.436 ( 7.456 -1.727 3.930) 8.603 4.436 ( 7.456 1.727 3.930) 8.603 4.660 ( 1.901 -4.899 1.414) 5.442 4.660 ( 1.901 4.899 1.414) 5.442 4.738 ( 0.013 -0.825 -0.876) 1.203 4.738 ( 0.013 0.825 -0.876) 1.203 4.809 ( 0.126 -2.166 0.419) 2.210 4.809 ( 0.126 2.166 0.419) 2.210 4.946 ( 3.417 -4.204 -1.352) 5.584 4.946 ( 3.417 4.204 -1.352) 5.584 5.144 ( 2.051 -5.493 -1.528) 6.059 5.144 ( 2.051 5.493 -1.528) 6.059 5.327 ( -3.169 -2.440 -0.131) 4.002 5.327 ( -3.169 2.440 -0.131) 4.002 5.447 ( -1.403 -4.185 -1.536) 4.674 5.447 ( -1.403 4.185 -1.536) 4.674 5.529 ( 0.025 -5.570 -1.366) 5.735 5.529 ( 0.025 5.570 -1.366) 5.735 5.733 ( -2.333 -0.756 -1.812) 3.050 5.733 ( -2.333 0.756 -1.812) 3.050 5.908 ( 3.287 -2.588 -0.074) 4.185 5.908 ( 3.287 2.588 -0.074) 4.185 6.088 ( -2.650 -3.951 1.071) 4.877 6.088 ( -2.650 3.951 1.071) 4.877 6.271 ( 1.433 -1.403 -1.504) 2.506 6.271 ( 1.433 1.403 -1.504) 2.506 6.555 ( 0.151 -2.370 -0.489) 2.424 6.555 ( 0.151 2.370 -0.489) 2.424 6.597 ( 0.825 -2.729 -1.258) 3.117 6.597 ( 0.825 2.729 -1.258) 3.117 6.971 ( -6.092 -4.916 -0.389) 7.838 6.971 ( -6.092 4.916 -0.389) 7.838 7.139 ( -4.035 -2.023 2.639) 5.228 7.139 ( -4.035 2.023 2.639) 5.228 7.449 ( -2.283 -1.455 2.374) 3.601 7.449 ( -2.283 1.455 2.374) 3.601 7.656 ( 3.507 -1.215 -0.349) 3.728 7.656 ( 3.507 1.215 -0.349) 3.728 7.887 ( 2.197 -2.427 0.315) 3.289 7.887 ( 2.197 2.427 0.315) 3.289 8.117 ( 1.679 -1.762 -2.136) 3.238 8.117 ( 1.679 1.762 -2.136) 3.238 8.549 ( 0.550 -1.744 -0.022) 1.828 8.549 ( 0.550 1.744 -0.022) 1.828 8.622 ( -1.200 -1.097 -1.842) 2.457 8.622 ( -1.200 1.097 -1.842) 2.457 8.696 ( -2.861 -0.864 2.100) 3.653 8.696 ( -2.861 0.864 2.100) 3.653 8.855 ( -1.484 -0.710 -2.908) 3.341 8.855 ( -1.484 0.710 -2.908) 3.341 9.227 ( -0.994 -0.137 0.341) 1.060 9.227 ( -0.994 0.137 0.341) 1.060 9.279 ( 2.276 -1.688 0.873) 2.965 9.279 ( 2.276 1.688 0.873) 2.965 9.615 ( -0.981 -3.212 0.909) 3.479 9.615 ( -0.981 3.212 0.909) 3.479 9.873 ( 3.410 -2.929 -3.350) 5.606 9.873 ( 3.410 2.929 -3.350) 5.606 10.358 ( -1.077 -2.979 4.224) 5.280 10.358 ( -1.077 2.979 4.224) 5.280 10.636 ( 3.708 -3.050 -1.372) 4.993 10.636 ( 3.708 3.050 -1.372) 4.993 11.207 ( -0.744 -1.037 -0.920) 1.573 11.207 ( -0.744 1.037 -0.920) 1.573 11.253 ( 1.315 -0.762 -0.930) 1.782 11.253 ( 1.315 0.762 -0.930) 1.782 11.422 ( -1.518 -0.148 -0.550) 1.622 11.422 ( -1.518 0.148 -0.550) 1.622 11.591 ( -1.570 -1.269 1.178) 2.337 11.591 ( -1.570 1.269 1.178) 2.337 11.904 ( -1.104 -1.730 1.164) 2.360 11.904 ( -1.104 1.730 1.164) 2.360 12.069 ( 0.184 -1.706 -1.744) 2.447 12.069 ( 0.184 1.706 -1.744) 2.447 12.395 ( -1.698 -2.890 1.140) 3.540 12.395 ( -1.698 2.890 1.140) 3.540 12.504 ( -0.375 -0.748 -2.052) 2.216 12.504 ( -0.375 0.748 -2.052) 2.216 13.074 ( -3.345 -1.748 3.005) 4.825 13.074 ( -3.345 1.748 3.005) 4.825 13.222 ( -2.917 -1.834 0.927) 3.568 13.222 ( -2.917 1.834 0.927) 3.568 13.477 ( 0.926 -2.116 -1.012) 2.522 13.477 ( 0.926 2.116 -1.012) 2.522 13.821 ( 8.923 -4.394 -9.990) 14.097 13.821 ( 8.923 4.394 -9.990) 14.097 14.128 ( -0.996 -2.044 2.234) 3.188 14.128 ( -0.996 2.044 2.234) 3.188 14.363 ( -0.077 -2.284 1.266) 2.613 14.363 ( -0.077 2.284 1.266) 2.613 14.483 ( -4.609 -1.730 6.934) 8.504 14.483 ( -4.609 1.730 6.934) 8.504 14.874 ( -1.322 -5.544 -2.649) 6.285 14.874 ( -1.322 5.544 -2.649) 6.285 15.089 ( 0.508 -6.220 0.889) 6.303 15.089 ( 0.508 6.220 0.889) 6.303 15.395 ( 1.759 -2.083 1.352) 3.043 15.395 ( 1.759 2.083 1.352) 3.043 15.448 ( 4.175 -1.090 -1.204) 4.480 15.448 ( 4.175 1.090 -1.204) 4.480 15.655 ( -0.093 -4.004 -0.524) 4.040 15.655 ( -0.093 4.004 -0.524) 4.040 15.909 ( -1.083 -2.839 4.690) 5.588 15.909 ( -1.083 2.839 4.690) 5.588 16.276 ( 3.524 -1.564 -6.575) 7.622 16.276 ( 3.524 1.564 -6.575) 7.622 16.529 ( -2.861 -2.502 6.611) 7.626 16.529 ( -2.861 2.502 6.611) 7.626 16.913 ( 1.967 -0.879 -5.713) 6.105 16.913 ( 1.967 0.879 -5.713) 6.105 17.470 ( -0.303 -0.640 0.820) 1.083 17.470 ( -0.303 0.640 0.820) 1.083 17.502 ( -0.479 -1.172 -0.580) 1.392 17.502 ( -0.479 1.172 -0.580) 1.392 20.533 ( -1.242 -1.588 0.652) 2.118 20.533 ( -1.242 1.588 0.652) 2.118 20.738 ( 0.035 -2.236 -1.104) 2.493 20.738 ( 0.035 2.236 -1.104) 2.493 20.827 ( -0.810 -1.994 0.630) 2.242 20.827 ( -0.810 1.994 0.630) 2.242 20.978 ( -1.316 -3.961 3.811) 5.652 20.978 ( -1.316 3.961 3.811) 5.652 21.303 ( -1.439 -1.195 1.069) 2.154 21.303 ( -1.439 1.195 1.069) 2.154 21.528 ( 2.167 -1.618 -3.353) 4.308 21.528 ( 2.167 1.618 -3.353) 4.308 23.005 ( -1.672 -3.691 1.644) 4.373 23.005 ( -1.672 3.691 1.644) 4.373 23.247 ( 1.806 -1.900 -2.000) 3.297 23.247 ( 1.806 1.900 -2.000) 3.297 24.840 ( -6.338 -1.152 10.158) 12.028 24.840 ( -6.338 1.152 10.158) 12.028 25.887 ( 13.439 -2.885 -21.109) 25.189 25.887 ( 13.439 2.885 -21.109) 25.189 26.954 ( -7.308 -3.864 20.184) 21.811 26.954 ( -7.308 3.864 20.184) 21.811 27.912 ( 7.013 -0.696 -12.437) 14.295 27.912 ( 7.013 0.696 -12.437) 14.295 29.134 ( -3.602 -2.063 6.519) 7.729 29.134 ( -3.602 2.063 6.519) 7.729 29.526 ( -0.423 -1.934 -4.927) 5.310 29.526 ( -0.423 1.934 -4.927) 5.310 30.152 ( 0.248 -1.312 0.869) 1.593 30.152 ( 0.248 1.312 0.869) 1.593 30.370 ( -1.210 -0.724 -1.524) 2.077 30.370 ( -1.210 0.724 -1.524) 2.077 31.240 ( 1.096 -2.715 2.648) 3.948 31.240 ( 1.096 2.715 2.648) 3.948 31.301 ( 0.659 -4.600 -1.343) 4.837 31.301 ( 0.659 4.600 -1.343) 4.837 31.677 ( -2.838 -2.823 3.277) 5.173 31.677 ( -2.838 2.823 3.277) 5.173 32.191 ( 6.346 -0.850 -11.343) 13.026 32.191 ( 6.346 0.850 -11.343) 13.026 32.614 ( -8.348 -0.365 10.838) 13.685 32.614 ( -8.348 0.365 10.838) 13.685 33.184 ( 4.801 -1.446 -7.617) 9.119 33.184 ( 4.801 1.446 -7.617) 9.119 33.613 ( -6.023 -4.028 3.766) 8.166 33.613 ( -6.023 4.028 3.766) 8.166 33.989 ( 4.619 -6.649 -0.816) 8.137 33.989 ( 4.619 6.649 -0.816) 8.137 35.595 ( -0.665 -0.917 2.230) 2.501 35.595 ( -0.665 0.917 2.230) 2.501 35.834 ( 2.731 -1.457 -3.621) 4.764 35.834 ( 2.731 1.457 -3.621) 4.764 35.980 ( -0.746 -4.067 -1.236) 4.316 35.980 ( -0.746 4.067 -1.236) 4.316 36.214 ( -0.676 -2.164 -1.564) 2.755 36.214 ( -0.676 2.164 -1.564) 2.755 36.390 ( -5.692 -2.523 3.219) 7.008 36.390 ( -5.692 2.523 3.219) 7.008 36.496 ( -0.544 -3.937 0.307) 3.986 36.496 ( -0.544 3.937 0.307) 3.986 37.619 ( 4.385 -7.447 4.749) 9.861 37.619 ( 4.385 7.447 4.749) 9.861 38.466 ( 1.382 -2.289 -1.525) 3.079 38.466 ( 1.382 2.289 -1.525) 3.079 ======================= Grid point 77 (40/64) ======================= q-point: (-0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 1.156 -10.397 -0.276) 10.464 1.245 ( 1.156 10.397 -0.276) 10.464 1.415 ( 1.660 -1.325 0.296) 2.145 1.415 ( 1.660 1.325 0.296) 2.145 1.596 ( 4.211 -3.644 0.565) 5.597 1.596 ( 4.211 3.644 0.565) 5.597 1.667 ( -0.234 -5.289 -2.843) 6.009 1.667 ( -0.234 5.289 -2.843) 6.009 1.784 ( -2.640 -4.106 -0.010) 4.881 1.784 ( -2.640 4.106 -0.010) 4.881 1.973 ( 5.786 -1.018 0.756) 5.924 1.973 ( 5.786 1.018 0.756) 5.924 2.105 ( 1.629 -9.267 -1.810) 9.581 2.105 ( 1.629 9.267 -1.810) 9.581 2.325 ( 8.250 -5.740 -10.076) 14.232 2.325 ( 8.250 5.740 -10.076) 14.232 2.689 ( 4.635 -1.547 -4.061) 6.354 2.689 ( 4.635 1.547 -4.061) 6.354 2.823 ( -4.780 -7.208 -1.709) 8.816 2.823 ( -4.780 7.208 -1.709) 8.816 2.847 ( 4.961 -6.238 -4.501) 9.154 2.847 ( 4.961 6.238 -4.501) 9.154 2.963 ( -4.838 -8.186 9.909) 13.733 2.963 ( -4.838 8.186 9.909) 13.733 3.190 ( 0.856 -4.744 -5.551) 7.352 3.190 ( 0.856 4.744 -5.551) 7.352 3.353 ( -5.182 -9.673 4.132) 11.726 3.353 ( -5.182 9.673 4.132) 11.726 3.522 ( 0.366 -6.763 5.634) 8.810 3.522 ( 0.366 6.763 5.634) 8.810 3.661 ( 2.088 -1.008 6.660) 7.052 3.661 ( 2.088 1.008 6.660) 7.052 3.790 ( 2.911 -2.893 0.023) 4.104 3.790 ( 2.911 2.893 0.023) 4.104 3.994 ( -4.605 -0.197 2.963) 5.479 3.994 ( -4.605 0.197 2.963) 5.479 4.260 ( 0.307 -2.826 1.345) 3.144 4.260 ( 0.307 2.826 1.345) 3.144 4.534 ( 2.259 -2.398 0.706) 3.370 4.534 ( 2.259 2.398 0.706) 3.370 4.697 ( 3.482 -5.100 -5.254) 8.108 4.697 ( 3.482 5.100 -5.254) 8.108 4.752 ( 1.136 -3.979 0.775) 4.210 4.752 ( 1.136 3.979 0.775) 4.210 4.801 ( -1.633 -2.607 -0.557) 3.127 4.801 ( -1.633 2.607 -0.557) 3.127 4.986 ( 3.080 -2.816 -0.419) 4.194 4.986 ( 3.080 2.816 -0.419) 4.194 5.148 ( -0.086 -1.846 0.325) 1.877 5.148 ( -0.086 1.846 0.325) 1.877 5.270 ( -2.604 -2.029 0.330) 3.317 5.270 ( -2.604 2.029 0.330) 3.317 5.428 ( -2.665 -1.580 -1.799) 3.582 5.428 ( -2.665 1.580 -1.799) 3.582 5.518 ( 3.198 -4.644 -1.232) 5.771 5.518 ( 3.198 4.644 -1.232) 5.771 5.652 ( -2.122 -3.959 -2.389) 5.087 5.652 ( -2.122 3.959 -2.389) 5.087 5.980 ( 3.383 -1.549 -0.029) 3.721 5.980 ( 3.383 1.549 -0.029) 3.721 6.026 ( -4.199 -7.034 -0.406) 8.202 6.026 ( -4.199 7.034 -0.406) 8.202 6.283 ( 0.956 -0.287 -1.036) 1.439 6.283 ( 0.956 0.287 -1.036) 1.439 6.531 ( -1.233 -1.907 0.993) 2.478 6.531 ( -1.233 1.907 0.993) 2.478 6.612 ( 2.384 -2.224 -1.965) 3.806 6.612 ( 2.384 2.224 -1.965) 3.806 6.849 ( -6.222 -5.896 -0.800) 8.609 6.849 ( -6.222 5.896 -0.800) 8.609 7.138 ( -2.857 -2.864 5.691) 6.982 7.138 ( -2.857 2.864 5.691) 6.982 7.442 ( -2.016 -0.813 2.732) 3.492 7.442 ( -2.016 0.813 2.732) 3.492 7.685 ( 2.226 -1.469 -2.844) 3.899 7.685 ( 2.226 1.469 -2.844) 3.899 7.940 ( 2.423 -2.850 1.648) 4.088 7.940 ( 2.423 2.850 1.648) 4.088 8.129 ( 2.038 -2.756 -1.700) 3.826 8.129 ( 2.038 2.756 -1.700) 3.826 8.549 ( -0.563 -0.569 -0.249) 0.839 8.549 ( -0.563 0.569 -0.249) 0.839 8.588 ( -0.913 -1.603 -0.417) 1.891 8.588 ( -0.913 1.603 -0.417) 1.891 8.681 ( -1.603 -0.189 1.410) 2.144 8.681 ( -1.603 0.189 1.410) 2.144 8.794 ( -1.609 -0.879 -2.027) 2.733 8.794 ( -1.609 0.879 -2.027) 2.733 9.213 ( -0.446 -0.316 -0.302) 0.625 9.213 ( -0.446 0.316 -0.302) 0.625 9.317 ( 1.240 -2.174 0.385) 2.532 9.317 ( 1.240 2.174 0.385) 2.532 9.607 ( -1.338 -2.615 1.151) 3.155 9.607 ( -1.338 2.615 1.151) 3.155 9.896 ( 3.647 -4.585 -3.469) 6.808 9.896 ( 3.647 4.585 -3.469) 6.808 10.385 ( -0.905 -3.580 3.116) 4.831 10.385 ( -0.905 3.580 3.116) 4.831 10.675 ( 3.211 -4.890 -2.666) 6.429 10.675 ( 3.211 4.890 -2.666) 6.429 11.191 ( -0.143 -1.027 -0.484) 1.144 11.191 ( -0.143 1.027 -0.484) 1.144 11.272 ( 1.415 -0.162 0.160) 1.434 11.272 ( 1.415 0.162 0.160) 1.434 11.394 ( -1.312 -1.873 -0.106) 2.289 11.394 ( -1.312 1.873 -0.106) 2.289 11.569 ( -2.243 -0.329 1.140) 2.537 11.569 ( -2.243 0.329 1.140) 2.537 11.904 ( -1.199 -1.156 2.254) 2.803 11.904 ( -1.199 1.156 2.254) 2.803 12.054 ( 0.668 -1.686 -1.910) 2.634 12.054 ( 0.668 1.686 -1.910) 2.634 12.391 ( -1.397 -3.009 2.881) 4.394 12.391 ( -1.397 3.009 2.881) 4.394 12.493 ( 0.332 -0.903 0.083) 0.966 12.493 ( 0.332 0.903 0.083) 0.966 13.056 ( -3.023 -1.372 3.525) 4.842 13.056 ( -3.023 1.372 3.525) 4.842 13.201 ( -2.420 -2.048 3.520) 4.737 13.201 ( -2.420 2.048 3.520) 4.737 13.473 ( 0.848 -2.248 -2.239) 3.284 13.473 ( 0.848 2.248 -2.239) 3.284 13.875 ( 10.660 -4.330 -10.443) 15.538 13.875 ( 10.660 4.330 -10.443) 15.538 14.136 ( -0.800 -1.757 1.927) 2.728 14.136 ( -0.800 1.757 1.927) 2.728 14.344 ( -2.993 -1.054 -0.113) 3.175 14.344 ( -2.993 1.054 -0.113) 3.175 14.462 ( -4.890 -3.013 4.186) 7.108 14.462 ( -4.890 3.013 4.186) 7.108 14.813 ( -2.173 -3.604 -1.219) 4.382 14.813 ( -2.173 3.604 -1.219) 4.382 15.119 ( 2.475 -6.768 -0.939) 7.267 15.119 ( 2.475 6.768 -0.939) 7.267 15.414 ( 0.630 -2.630 -2.576) 3.735 15.414 ( 0.630 2.630 -2.576) 3.735 15.499 ( 0.580 -2.672 2.077) 3.433 15.499 ( 0.580 2.672 2.077) 3.433 15.696 ( 4.498 -4.906 0.976) 6.727 15.696 ( 4.498 4.906 0.976) 6.727 15.935 ( -1.867 -1.842 4.045) 4.821 15.935 ( -1.867 1.842 4.045) 4.821 16.261 ( 3.865 -3.096 -6.768) 8.386 16.261 ( 3.865 3.096 -6.768) 8.386 16.547 ( -3.755 -3.623 6.463) 8.306 16.547 ( -3.755 3.623 6.463) 8.306 16.887 ( 2.453 -1.401 -5.113) 5.841 16.887 ( 2.453 1.401 -5.113) 5.841 17.466 ( -0.609 -0.278 -0.066) 0.673 17.466 ( -0.609 0.278 -0.066) 0.673 17.496 ( -0.140 -2.012 0.531) 2.086 17.496 ( -0.140 2.012 0.531) 2.086 20.521 ( -0.930 -1.674 0.511) 1.982 20.521 ( -0.930 1.674 0.511) 1.982 20.717 ( -1.064 -1.352 -1.019) 1.999 20.717 ( -1.064 1.352 -1.019) 1.999 20.828 ( -0.405 -1.937 1.553) 2.515 20.828 ( -0.405 1.937 1.553) 2.515 20.989 ( -1.588 -4.380 2.389) 5.236 20.989 ( -1.588 4.380 2.389) 5.236 21.289 ( -1.097 -1.667 0.518) 2.062 21.289 ( -1.097 1.667 0.518) 2.062 21.525 ( 1.811 -1.918 -3.219) 4.162 21.525 ( 1.811 1.918 -3.219) 4.162 23.002 ( -1.249 -2.229 2.327) 3.456 23.002 ( -1.249 2.229 2.327) 3.456 23.254 ( 1.650 -2.001 -2.083) 3.326 23.254 ( 1.650 2.001 -2.083) 3.326 24.845 ( -6.669 -1.333 10.316) 12.356 24.845 ( -6.669 1.333 10.316) 12.356 25.874 ( 13.058 -2.508 -21.045) 24.894 25.874 ( 13.058 2.508 -21.045) 24.894 27.053 ( -7.336 -10.161 17.886) 21.840 27.053 ( -7.336 10.161 17.886) 21.840 27.944 ( 10.035 -2.888 -7.455) 12.830 27.944 ( 10.035 2.888 -7.455) 12.830 29.111 ( -5.688 -1.999 3.025) 6.745 29.111 ( -5.688 1.999 3.025) 6.745 29.474 ( 0.236 -3.672 -2.758) 4.598 29.474 ( 0.236 3.672 -2.758) 4.598 30.174 ( 0.694 -1.806 1.370) 2.370 30.174 ( 0.694 1.806 1.370) 2.370 30.325 ( -1.759 -1.082 -1.243) 2.410 30.325 ( -1.759 1.082 -1.243) 2.410 31.256 ( 0.401 -1.975 -1.497) 2.510 31.256 ( 0.401 1.975 -1.497) 2.510 31.333 ( 1.676 -6.420 2.060) 6.947 31.333 ( 1.676 6.420 2.060) 6.947 31.662 ( -3.171 -2.561 3.610) 5.445 31.662 ( -3.171 2.561 3.610) 5.445 32.171 ( 6.186 -0.863 -10.781) 12.459 32.171 ( 6.186 0.863 -10.781) 12.459 32.609 ( -7.366 -1.130 11.836) 13.987 32.609 ( -7.366 1.130 11.836) 13.987 33.193 ( 5.527 -1.306 -6.424) 8.574 33.193 ( 5.527 1.306 -6.424) 8.574 33.552 ( -5.505 -2.296 3.177) 6.758 33.552 ( -5.505 2.296 3.177) 6.758 34.039 ( 3.008 -7.987 -2.042) 8.776 34.039 ( 3.008 7.987 -2.042) 8.776 35.607 ( -0.692 -0.488 1.876) 2.059 35.607 ( -0.692 0.488 1.876) 2.059 35.825 ( 2.364 -2.465 -5.511) 6.484 35.825 ( 2.364 2.465 -5.511) 6.484 35.989 ( 0.109 -1.064 3.339) 3.506 35.989 ( 0.109 1.064 3.339) 3.506 36.185 ( -0.652 -2.480 -1.349) 2.898 36.185 ( -0.652 2.480 -1.349) 2.898 36.311 ( -5.634 -1.395 1.573) 6.013 36.311 ( -5.634 1.395 1.573) 6.013 36.493 ( -0.802 -3.678 0.380) 3.784 36.493 ( -0.802 3.678 0.380) 3.784 37.696 ( 2.195 -12.331 -1.499) 12.614 37.696 ( 2.195 12.331 -1.499) 12.614 38.505 ( 2.615 -2.694 1.582) 4.074 38.505 ( 2.615 2.694 1.582) 4.074 ======================= Grid point 91 (41/64) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 8.032 0.000 18.194) 19.888 1.045 ( -3.649 0.000 7.437) 8.284 1.169 ( -10.503 0.000 -0.802) 10.534 1.252 ( 3.158 0.000 -3.800) 4.941 1.377 ( -2.339 0.000 -1.179) 2.619 1.380 ( -1.098 0.000 -0.628) 1.265 1.660 ( -6.754 0.000 4.543) 8.140 1.697 ( -5.205 0.000 2.552) 5.797 1.835 ( 4.872 0.000 19.073) 19.685 1.867 ( -2.406 0.000 14.890) 15.083 1.882 ( -3.080 0.000 1.577) 3.461 1.959 ( -1.700 0.000 -3.594) 3.976 2.115 ( 3.225 0.000 3.046) 4.436 2.133 ( 2.018 0.000 -6.871) 7.161 2.216 ( -0.575 0.000 -3.405) 3.453 2.241 ( -0.252 0.000 3.142) 3.152 2.331 ( -1.532 0.000 -7.434) 7.590 2.383 ( -0.974 0.000 -13.147) 13.183 2.628 ( -2.218 0.000 0.395) 2.253 2.661 ( -0.006 0.000 -4.087) 4.087 2.713 ( 9.396 0.000 -8.796) 12.871 2.725 ( 0.488 0.000 -9.057) 9.071 2.739 ( -17.388 0.000 3.282) 17.695 2.948 ( 11.785 0.000 -15.554) 19.515 3.261 ( 5.578 0.000 7.657) 9.474 3.325 ( -2.366 0.000 4.280) 4.890 3.354 ( -3.967 0.000 -2.317) 4.594 3.395 ( 7.726 0.000 5.759) 9.637 3.474 ( 0.751 0.000 -9.530) 9.560 3.496 ( 2.808 0.000 -3.727) 4.666 3.618 ( -0.248 0.000 -0.371) 0.446 3.681 ( -1.542 0.000 -6.281) 6.467 3.934 ( -1.081 0.000 10.887) 10.940 4.026 ( -2.062 0.000 0.939) 2.266 4.103 ( 0.519 0.000 -3.644) 3.681 4.110 ( -0.707 0.000 -4.527) 4.582 4.309 ( -0.817 0.000 7.111) 7.158 4.359 ( -2.130 0.000 3.218) 3.859 4.463 ( -0.429 0.000 -1.407) 1.471 4.502 ( 6.396 0.000 -2.150) 6.748 4.557 ( -10.996 0.000 -1.600) 11.112 4.567 ( 11.719 0.000 -2.452) 11.973 4.697 ( 2.130 0.000 3.863) 4.412 4.758 ( -2.083 0.000 -1.551) 2.597 4.825 ( -5.442 0.000 1.584) 5.668 4.910 ( 5.578 0.000 -7.896) 9.667 5.051 ( 2.904 0.000 -0.946) 3.054 5.065 ( -2.643 0.000 -2.345) 3.533 5.162 ( 5.036 0.000 0.229) 5.041 5.163 ( -4.301 0.000 0.381) 4.318 5.239 ( -2.424 0.000 7.385) 7.773 5.293 ( -2.571 0.000 1.758) 3.114 5.368 ( -1.824 0.000 0.094) 1.827 5.426 ( 2.783 0.000 -4.023) 4.892 5.554 ( -1.255 0.000 2.027) 2.384 5.555 ( 4.042 0.000 2.978) 5.021 5.711 ( -1.201 0.000 1.467) 1.896 5.761 ( 2.265 0.000 -3.347) 4.042 5.863 ( -0.928 0.000 5.617) 5.694 5.971 ( -1.099 0.000 -4.026) 4.174 6.120 ( -5.831 0.000 3.645) 6.876 6.157 ( 3.227 0.000 -0.413) 3.254 6.300 ( -4.001 0.000 5.273) 6.619 6.366 ( 0.966 0.000 0.983) 1.378 6.385 ( -1.691 0.000 -0.254) 1.710 6.431 ( 3.858 0.000 -7.032) 8.020 6.604 ( -4.668 0.000 3.886) 6.073 6.653 ( 2.417 0.000 -1.873) 3.058 6.864 ( 4.952 0.000 7.561) 9.038 6.994 ( -2.908 0.000 -6.621) 7.231 7.134 ( 4.352 0.000 -0.932) 4.451 7.141 ( -3.808 0.000 -4.130) 5.617 7.411 ( 3.114 0.000 2.091) 3.751 7.432 ( -3.206 0.000 0.244) 3.216 7.624 ( 0.260 0.000 1.896) 1.914 7.641 ( -1.373 0.000 -0.516) 1.467 7.860 ( -3.856 0.000 0.605) 3.903 7.876 ( 4.200 0.000 -3.108) 5.225 8.126 ( 1.442 0.000 1.073) 1.797 8.152 ( -1.759 0.000 -1.063) 2.055 8.480 ( 5.126 0.000 0.501) 5.150 8.497 ( -4.045 0.000 -1.291) 4.246 8.510 ( -3.028 0.000 0.796) 3.130 8.523 ( 3.490 0.000 -0.450) 3.519 8.682 ( 5.104 0.000 1.238) 5.252 8.714 ( -4.176 0.000 -2.191) 4.716 8.742 ( -5.324 0.000 3.008) 6.115 8.789 ( 4.128 0.000 -1.965) 4.572 9.088 ( -0.220 0.000 0.308) 0.378 9.099 ( -0.041 0.000 -0.860) 0.861 9.346 ( -0.733 0.000 1.297) 1.490 9.357 ( 1.313 0.000 0.634) 1.458 9.522 ( -3.669 0.000 2.635) 4.517 9.600 ( 3.148 0.000 -5.097) 5.991 10.017 ( 0.474 0.000 3.838) 3.868 10.043 ( -0.909 0.000 1.082) 1.413 10.294 ( 1.010 0.000 1.635) 1.922 10.338 ( 0.649 0.000 -3.134) 3.201 10.595 ( -4.681 0.000 5.549) 7.260 10.697 ( 3.025 0.000 -4.810) 5.682 11.188 ( -3.765 0.000 1.925) 4.229 11.230 ( 3.675 0.000 -2.546) 4.471 11.293 ( 1.659 0.000 -0.690) 1.796 11.306 ( -1.125 0.000 -2.026) 2.317 11.513 ( -2.236 0.000 1.818) 2.882 11.543 ( -1.075 0.000 1.997) 2.268 11.549 ( 3.196 0.000 -1.630) 3.587 11.581 ( 0.064 0.000 -1.939) 1.940 11.912 ( -5.172 0.000 3.886) 6.469 11.957 ( -1.339 0.000 3.915) 4.137 11.986 ( 6.141 0.000 -3.971) 7.313 12.019 ( 1.529 0.000 -2.883) 3.264 12.335 ( -3.838 0.000 3.746) 5.364 12.396 ( 2.949 0.000 -2.933) 4.159 12.636 ( -0.397 0.000 2.492) 2.523 12.657 ( 1.378 0.000 0.356) 1.423 13.111 ( -1.750 0.000 7.052) 7.266 13.143 ( -1.268 0.000 2.151) 2.497 13.266 ( 1.190 0.000 -3.775) 3.958 13.288 ( 0.354 0.000 -2.671) 2.694 13.522 ( -7.693 0.000 1.657) 7.869 13.580 ( 4.694 0.000 -6.620) 8.115 13.668 ( -10.186 0.000 2.784) 10.559 13.741 ( 11.324 0.000 -4.739) 12.275 14.233 ( -5.147 0.000 4.385) 6.762 14.266 ( -0.750 0.000 7.940) 7.975 14.327 ( 1.286 0.000 -1.865) 2.265 14.374 ( -7.681 0.000 0.958) 7.741 14.388 ( 4.685 0.000 -0.688) 4.735 14.466 ( 4.225 0.000 -9.005) 9.947 14.855 ( -2.017 0.000 6.496) 6.802 14.930 ( -2.472 0.000 2.594) 3.583 14.997 ( 0.307 0.000 4.091) 4.103 15.156 ( 3.819 0.000 -9.292) 10.046 15.315 ( 1.074 0.000 -0.664) 1.263 15.324 ( -1.640 0.000 -1.695) 2.358 15.504 ( -2.904 0.000 4.270) 5.163 15.531 ( 4.951 0.000 5.877) 7.684 15.590 ( 5.462 0.000 -5.548) 7.785 15.659 ( -5.124 0.000 -6.222) 8.061 16.053 ( -3.749 0.000 2.929) 4.758 16.104 ( 4.024 0.000 -2.889) 4.954 16.271 ( -2.045 0.000 5.960) 6.301 16.387 ( 0.409 0.000 -5.757) 5.771 16.513 ( -4.159 0.000 7.680) 8.734 16.665 ( 4.835 0.000 -7.991) 9.340 16.784 ( -6.050 0.000 4.349) 7.451 16.874 ( 7.719 0.000 -5.126) 9.266 17.457 ( -1.280 0.000 0.111) 1.285 17.459 ( 1.276 0.000 -0.124) 1.282 17.527 ( 0.793 0.000 3.320) 3.414 17.572 ( -0.520 0.000 -1.365) 1.461 20.457 ( 0.156 0.000 2.477) 2.482 20.512 ( 0.047 0.000 -3.287) 3.288 20.661 ( -5.134 0.000 1.559) 5.365 20.683 ( 7.222 0.000 -0.592) 7.246 20.807 ( -1.791 0.000 0.569) 1.879 20.815 ( 1.449 0.000 -0.328) 1.486 20.949 ( -2.385 0.000 4.507) 5.099 21.037 ( 1.507 0.000 -4.591) 4.832 21.317 ( -3.033 0.000 4.159) 5.148 21.404 ( 2.086 0.000 -4.543) 4.999 21.431 ( -2.556 0.000 4.617) 5.278 21.527 ( 3.167 0.000 -5.644) 6.472 22.943 ( -7.731 0.000 6.909) 10.368 23.071 ( 7.254 0.000 -6.292) 9.603 23.158 ( -2.113 0.000 3.933) 4.464 23.232 ( 2.343 0.000 -3.742) 4.416 25.028 ( -8.795 0.000 14.229) 16.728 25.345 ( 10.443 0.000 -19.185) 21.843 25.601 ( -33.730 0.000 7.333) 34.518 25.777 ( 24.560 0.000 -11.576) 27.151 27.167 ( -10.074 0.000 19.005) 21.510 27.249 ( -17.885 0.000 22.378) 28.647 27.491 ( 8.191 0.000 -15.107) 17.184 27.647 ( 20.343 0.000 -19.686) 28.308 29.168 ( -4.838 0.000 5.123) 7.046 29.239 ( 4.252 0.000 -2.455) 4.909 29.762 ( 12.597 0.000 1.912) 12.741 29.785 ( -5.762 0.000 -0.469) 5.781 30.169 ( -0.526 0.000 3.846) 3.881 30.237 ( -0.116 0.000 -3.127) 3.130 30.283 ( 0.527 0.000 -0.288) 0.600 30.284 ( 3.205 0.000 -0.374) 3.226 31.153 ( -0.794 0.000 5.891) 5.944 31.281 ( 2.346 0.000 -6.796) 7.190 31.317 ( 3.645 0.000 -0.240) 3.653 31.366 ( -2.498 0.000 -4.148) 4.842 31.777 ( -3.875 0.000 9.526) 10.284 31.949 ( 4.117 0.000 -8.253) 9.223 32.010 ( -11.905 0.000 7.694) 14.175 32.133 ( 13.269 0.000 -5.689) 14.438 32.675 ( -3.726 0.000 8.030) 8.852 32.845 ( 5.079 0.000 -9.768) 11.010 32.867 ( -7.676 0.000 9.055) 11.871 33.030 ( 7.615 0.000 -8.102) 11.119 33.578 ( -9.338 0.000 3.729) 10.055 33.644 ( 11.223 0.000 -3.310) 11.701 33.963 ( -3.403 0.000 12.279) 12.741 34.181 ( 2.105 0.000 -10.367) 10.578 35.662 ( -2.972 0.000 1.216) 3.211 35.669 ( 1.212 0.000 -0.123) 1.218 35.711 ( -0.362 0.000 4.125) 4.141 35.819 ( 2.521 0.000 -6.330) 6.814 35.882 ( -1.955 0.000 -0.010) 1.955 35.900 ( 1.962 0.000 -1.598) 2.531 36.073 ( 3.023 0.000 4.456) 5.384 36.157 ( -2.608 0.000 -4.132) 4.886 36.281 ( 2.413 0.000 1.922) 3.085 36.307 ( -2.542 0.000 -0.387) 2.571 36.647 ( -3.565 0.000 3.516) 5.007 36.711 ( 3.419 0.000 -2.979) 4.535 37.556 ( -16.518 0.000 7.225) 18.029 37.685 ( 6.519 0.000 -6.030) 8.880 38.347 ( -4.310 0.000 -0.619) 4.355 38.347 ( 3.356 0.000 -0.739) 3.436 ======================= Grid point 92 (42/64) ======================= q-point: ( 0.17 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -2.981 0.000 -11.410) 11.793 1.147 ( 7.855 0.000 2.782) 8.334 1.148 ( -1.992 0.000 9.293) 9.504 1.302 ( 4.834 0.000 0.397) 4.850 1.376 ( 1.384 0.000 4.039) 4.270 1.417 ( 4.436 0.000 1.759) 4.772 1.653 ( -2.190 0.000 7.898) 8.196 1.692 ( -9.919 0.000 14.292) 17.397 1.786 ( -2.940 0.000 -0.699) 3.022 1.856 ( -5.433 0.000 0.390) 5.447 1.927 ( 1.619 0.000 0.113) 1.623 2.034 ( -3.521 0.000 -8.208) 8.932 2.078 ( -0.339 0.000 2.147) 2.174 2.212 ( 4.469 0.000 0.928) 4.564 2.243 ( 0.172 0.000 6.685) 6.688 2.255 ( 5.635 0.000 -10.348) 11.783 2.321 ( 3.285 0.000 7.541) 8.226 2.323 ( 3.209 0.000 1.350) 3.482 2.500 ( -16.231 0.000 8.768) 18.447 2.549 ( -6.850 0.000 0.795) 6.896 2.634 ( -2.637 0.000 2.182) 3.423 2.694 ( 4.615 0.000 -5.984) 7.557 2.804 ( 6.972 0.000 -1.651) 7.164 2.972 ( 5.657 0.000 -4.299) 7.105 3.213 ( -7.442 0.000 -7.897) 10.851 3.301 ( -6.023 0.000 -0.747) 6.069 3.328 ( -3.808 0.000 9.401) 10.142 3.359 ( -2.139 0.000 -6.227) 6.584 3.494 ( 5.110 0.000 -2.369) 5.632 3.522 ( 5.222 0.000 -4.604) 6.962 3.656 ( 4.215 0.000 -2.273) 4.789 3.677 ( 2.766 0.000 2.969) 4.058 3.967 ( -3.553 0.000 -4.959) 6.101 3.975 ( -7.784 0.000 8.898) 11.822 4.010 ( -7.213 0.000 -0.916) 7.271 4.088 ( 1.044 0.000 -2.281) 2.509 4.206 ( -12.440 0.000 5.241) 13.499 4.312 ( -1.827 0.000 0.929) 2.050 4.392 ( -8.430 0.000 -2.725) 8.859 4.469 ( -3.747 0.000 -5.194) 6.404 4.497 ( 2.575 0.000 -1.779) 3.130 4.740 ( 6.114 0.000 0.468) 6.132 4.767 ( 0.868 0.000 0.231) 0.898 4.768 ( 5.232 0.000 -1.256) 5.381 4.862 ( 8.860 0.000 4.608) 9.986 4.955 ( 5.587 0.000 -2.240) 6.019 4.961 ( -8.250 0.000 0.758) 8.284 5.041 ( -3.680 0.000 -1.349) 3.920 5.107 ( -0.445 0.000 -1.688) 1.746 5.210 ( 0.396 0.000 0.287) 0.489 5.271 ( -2.019 0.000 5.563) 5.918 5.296 ( 0.378 0.000 1.352) 1.404 5.404 ( 1.877 0.000 4.155) 4.559 5.453 ( 8.175 0.000 -5.576) 9.896 5.577 ( 4.113 0.000 -2.050) 4.595 5.664 ( 8.669 0.000 -2.421) 9.000 5.727 ( 1.825 0.000 0.769) 1.980 5.770 ( 2.676 0.000 -2.332) 3.550 5.903 ( -3.271 0.000 7.295) 7.995 5.913 ( -0.502 0.000 -4.076) 4.107 6.004 ( -11.207 0.000 4.233) 11.979 6.135 ( -3.365 0.000 -1.814) 3.823 6.292 ( -4.551 0.000 3.148) 5.534 6.369 ( 0.024 0.000 0.628) 0.629 6.386 ( 0.881 0.000 -0.386) 0.961 6.439 ( 2.529 0.000 -1.892) 3.159 6.580 ( -5.118 0.000 7.177) 8.814 6.683 ( 1.470 0.000 -2.916) 3.266 6.884 ( 1.038 0.000 -6.333) 6.417 6.972 ( -0.208 0.000 -0.702) 0.732 7.094 ( 0.641 0.000 4.382) 4.428 7.204 ( 5.392 0.000 -1.076) 5.498 7.389 ( -1.179 0.000 -2.260) 2.549 7.489 ( 3.842 0.000 1.919) 4.295 7.609 ( -2.124 0.000 -0.272) 2.141 7.639 ( -0.857 0.000 1.840) 2.030 7.808 ( -2.523 0.000 -0.261) 2.536 7.943 ( 5.730 0.000 -0.054) 5.731 8.133 ( 0.936 0.000 -1.681) 1.924 8.178 ( 2.377 0.000 2.228) 3.258 8.415 ( -3.193 0.000 -1.540) 3.545 8.465 ( -2.000 0.000 -0.232) 2.013 8.582 ( 3.651 0.000 0.443) 3.678 8.585 ( 4.515 0.000 -0.332) 4.527 8.636 ( 0.137 0.000 -2.270) 2.274 8.693 ( -3.944 0.000 2.855) 4.869 8.775 ( 3.589 0.000 0.169) 3.593 8.836 ( 3.320 0.000 -1.308) 3.569 9.091 ( -0.352 0.000 -0.090) 0.363 9.096 ( 0.566 0.000 0.488) 0.748 9.335 ( -1.640 0.000 -0.145) 1.646 9.366 ( 0.191 0.000 -1.180) 1.195 9.527 ( -0.542 0.000 4.450) 4.483 9.622 ( 5.172 0.000 -3.109) 6.034 10.013 ( -2.507 0.000 -1.549) 2.947 10.026 ( -2.828 0.000 1.100) 3.034 10.313 ( -0.669 0.000 1.520) 1.660 10.326 ( 2.722 0.000 -3.579) 4.497 10.574 ( -5.721 0.000 6.613) 8.745 10.677 ( 0.431 0.000 -3.816) 3.841 11.173 ( -0.595 0.000 2.007) 2.093 11.256 ( -0.701 0.000 -1.016) 1.235 11.286 ( 3.532 0.000 -1.472) 3.826 11.312 ( 0.638 0.000 0.131) 0.651 11.492 ( -1.965 0.000 1.374) 2.397 11.545 ( 0.170 0.000 -1.935) 1.943 11.565 ( 0.226 0.000 2.413) 2.423 11.601 ( 3.488 0.000 -1.766) 3.909 11.855 ( -5.507 0.000 3.334) 6.437 11.976 ( -1.128 0.000 2.667) 2.895 11.986 ( 0.364 0.000 -4.769) 4.783 12.049 ( 4.617 0.000 -2.855) 5.428 12.326 ( -1.862 0.000 3.315) 3.802 12.419 ( 3.125 0.000 -2.359) 3.916 12.634 ( -1.560 0.000 0.354) 1.600 12.658 ( 0.134 0.000 -2.582) 2.585 13.148 ( -0.488 0.000 1.221) 1.315 13.154 ( -1.098 0.000 4.402) 4.537 13.254 ( -1.412 0.000 1.142) 1.816 13.276 ( 2.429 0.000 -3.172) 3.996 13.420 ( -6.606 0.000 4.786) 8.158 13.578 ( 1.656 0.000 -3.325) 3.714 13.606 ( -2.427 0.000 1.875) 3.067 13.905 ( 12.071 0.000 -3.173) 12.481 14.214 ( -2.807 0.000 4.092) 4.963 14.263 ( -6.341 0.000 2.106) 6.681 14.339 ( -2.329 0.000 7.302) 7.664 14.364 ( 4.984 0.000 -1.245) 5.137 14.413 ( 3.350 0.000 -6.508) 7.319 14.492 ( 5.273 0.000 -0.912) 5.351 14.869 ( -4.269 0.000 4.983) 6.562 14.901 ( -1.359 0.000 -1.599) 2.099 15.054 ( -1.094 0.000 7.657) 7.735 15.132 ( 6.129 0.000 -10.371) 12.047 15.284 ( -2.249 0.000 0.636) 2.337 15.333 ( 1.002 0.000 1.234) 1.590 15.476 ( -3.833 0.000 -0.058) 3.833 15.507 ( -3.683 0.000 -6.090) 7.117 15.598 ( 2.931 0.000 -5.418) 6.160 15.694 ( 4.960 0.000 6.567) 8.229 16.017 ( -3.933 0.000 2.310) 4.561 16.114 ( -0.006 0.000 -3.055) 3.055 16.271 ( -6.106 0.000 7.772) 9.884 16.314 ( -1.087 0.000 -4.772) 4.894 16.552 ( -1.067 0.000 6.580) 6.666 16.677 ( 6.810 0.000 -7.686) 10.269 16.697 ( -8.911 0.000 3.418) 9.544 16.901 ( 3.031 0.000 -5.218) 6.035 17.439 ( -0.907 0.000 0.056) 0.908 17.481 ( 1.244 0.000 -0.191) 1.259 17.538 ( -0.652 0.000 -2.277) 2.368 17.558 ( -0.578 0.000 2.007) 2.089 20.492 ( 1.831 0.000 -3.305) 3.778 20.500 ( 1.175 0.000 3.228) 3.436 20.577 ( -5.206 0.000 -0.513) 5.231 20.756 ( 2.357 0.000 -1.081) 2.593 20.792 ( 1.046 0.000 -1.657) 1.960 20.824 ( -0.340 0.000 0.019) 0.341 20.963 ( -2.662 0.000 5.630) 6.228 21.022 ( 2.624 0.000 -3.994) 4.779 21.332 ( -1.880 0.000 5.468) 5.782 21.408 ( 4.113 0.000 -3.597) 5.463 21.434 ( -3.209 0.000 4.712) 5.701 21.515 ( 2.656 0.000 -5.409) 6.026 22.890 ( -7.603 0.000 7.290) 10.533 23.114 ( 6.094 0.000 -6.393) 8.832 23.172 ( -1.444 0.000 3.831) 4.094 23.236 ( 3.471 0.000 -4.285) 5.514 25.050 ( -8.543 0.000 16.250) 18.358 25.271 ( -22.267 0.000 14.668) 26.664 25.329 ( 12.109 0.000 -18.201) 21.861 26.085 ( 20.109 0.000 -3.148) 20.354 27.124 ( -20.124 0.000 19.718) 28.174 27.258 ( -7.897 0.000 16.824) 18.585 27.468 ( 9.976 0.000 -16.126) 18.962 27.719 ( 16.209 0.000 -21.936) 27.275 29.149 ( -2.765 0.000 3.590) 4.532 29.266 ( 1.881 0.000 -4.616) 4.985 29.610 ( -8.151 0.000 -7.356) 10.979 29.842 ( -0.336 0.000 -1.063) 1.115 30.198 ( -0.243 0.000 -3.360) 3.369 30.203 ( -0.462 0.000 4.151) 4.177 30.271 ( -2.726 0.000 -2.307) 3.571 30.275 ( 0.565 0.000 -1.468) 1.573 31.218 ( 0.526 0.000 5.179) 5.206 31.241 ( 3.024 0.000 -7.306) 7.907 31.255 ( -5.550 0.000 -2.445) 6.065 31.375 ( 1.741 0.000 0.990) 2.003 31.825 ( -2.647 0.000 9.478) 9.841 31.868 ( -12.520 0.000 4.531) 13.314 31.927 ( 4.962 0.000 -9.705) 10.900 32.231 ( 6.698 0.000 -6.044) 9.022 32.707 ( -3.077 0.000 7.492) 8.099 32.820 ( -9.143 0.000 9.429) 13.134 32.831 ( 6.300 0.000 -9.748) 11.606 33.047 ( 5.520 0.000 -10.023) 11.442 33.489 ( -5.353 0.000 4.094) 6.739 33.793 ( 11.683 0.000 -5.220) 12.797 34.021 ( -6.176 0.000 12.456) 13.903 34.079 ( -0.261 0.000 -10.445) 10.448 35.634 ( -2.151 0.000 1.777) 2.790 35.684 ( 0.197 0.000 0.376) 0.425 35.731 ( -2.786 0.000 3.546) 4.509 35.791 ( 2.835 0.000 -6.584) 7.168 35.864 ( -0.852 0.000 0.777) 1.153 35.918 ( 1.760 0.000 -1.101) 2.076 36.094 ( 0.573 0.000 -3.030) 3.084 36.144 ( -0.816 0.000 3.225) 3.327 36.303 ( 3.923 0.000 -1.649) 4.255 36.356 ( 4.751 0.000 0.978) 4.850 36.610 ( -4.445 0.000 3.661) 5.758 36.699 ( -0.895 0.000 -3.620) 3.729 37.543 ( -0.682 0.000 12.972) 12.990 37.813 ( 10.994 0.000 0.272) 10.997 38.257 ( -6.770 0.000 0.880) 6.827 38.385 ( 1.303 0.000 0.874) 1.569 ======================= Grid point 93 (43/64) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 11.887 0.000 -6.366) 13.484 1.201 ( -1.447 0.000 5.062) 5.265 1.218 ( 2.879 0.000 -3.721) 4.704 1.381 ( 3.074 0.000 1.918) 3.624 1.441 ( -0.281 0.000 1.169) 1.202 1.475 ( 3.349 0.000 -2.680) 4.289 1.578 ( -3.223 0.000 2.424) 4.033 1.749 ( -7.730 0.000 6.320) 9.985 1.780 ( -1.551 0.000 -1.664) 2.274 1.800 ( -6.968 0.000 -1.678) 7.168 1.915 ( -8.677 0.000 22.130) 23.770 1.948 ( -1.422 0.000 -4.135) 4.373 2.141 ( 6.668 0.000 2.757) 7.216 2.225 ( -0.967 0.000 -4.174) 4.285 2.299 ( 10.411 0.000 -6.045) 12.039 2.307 ( 2.770 0.000 5.847) 6.470 2.409 ( -7.483 0.000 10.830) 13.164 2.429 ( 4.057 0.000 4.380) 5.970 2.439 ( -3.102 0.000 10.303) 10.760 2.494 ( 0.658 0.000 4.085) 4.137 2.578 ( -5.311 0.000 0.965) 5.398 2.722 ( 3.382 0.000 -0.201) 3.388 2.865 ( 0.389 0.000 -2.034) 2.071 2.946 ( -2.745 0.000 -10.346) 10.704 3.070 ( 0.906 0.000 -0.019) 0.906 3.209 ( -3.128 0.000 3.584) 4.757 3.320 ( 0.680 0.000 -0.827) 1.071 3.460 ( 3.237 0.000 12.698) 13.104 3.545 ( 2.839 0.000 -4.347) 5.192 3.546 ( 1.321 0.000 0.295) 1.353 3.648 ( 2.307 0.000 -8.033) 8.358 3.678 ( -6.237 0.000 -13.240) 14.636 3.773 ( -2.548 0.000 1.818) 3.130 3.876 ( -10.075 0.000 3.474) 10.658 3.967 ( -2.850 0.000 -0.874) 2.981 4.061 ( -1.309 0.000 -2.646) 2.952 4.113 ( -6.120 0.000 4.431) 7.556 4.228 ( 2.005 0.000 -10.344) 10.537 4.319 ( -1.419 0.000 1.243) 1.886 4.415 ( -4.062 0.000 8.846) 9.734 4.504 ( 2.491 0.000 -2.352) 3.426 4.727 ( -1.003 0.000 0.110) 1.009 4.751 ( -6.481 0.000 -4.266) 7.759 4.819 ( 2.282 0.000 -1.558) 2.763 4.915 ( -1.017 0.000 5.648) 5.738 4.931 ( -5.715 0.000 -1.873) 6.014 5.022 ( 3.863 0.000 -0.518) 3.898 5.064 ( 8.631 0.000 2.244) 8.918 5.112 ( 1.668 0.000 0.167) 1.677 5.172 ( -1.367 0.000 -4.172) 4.390 5.312 ( -0.367 0.000 5.818) 5.830 5.359 ( 1.989 0.000 5.434) 5.787 5.469 ( 1.285 0.000 2.640) 2.936 5.583 ( 13.124 0.000 -4.794) 13.973 5.615 ( 3.507 0.000 -4.080) 5.380 5.776 ( 10.403 0.000 -7.168) 12.633 5.789 ( -0.216 0.000 1.855) 1.867 5.793 ( 3.957 0.000 2.020) 4.443 5.847 ( -1.484 0.000 -5.469) 5.667 5.886 ( -7.460 0.000 5.414) 9.217 5.895 ( -7.296 0.000 5.646) 9.226 6.054 ( -2.583 0.000 -3.684) 4.499 6.272 ( -1.946 0.000 4.566) 4.964 6.366 ( -0.528 0.000 -0.076) 0.534 6.373 ( -0.401 0.000 -2.383) 2.416 6.456 ( 0.056 0.000 1.484) 1.485 6.585 ( -7.278 0.000 11.890) 13.941 6.636 ( -1.681 0.000 -2.305) 2.853 6.890 ( 6.524 0.000 -7.429) 9.887 6.896 ( -4.557 0.000 -2.898) 5.401 7.191 ( 4.356 0.000 2.654) 5.101 7.284 ( 4.149 0.000 0.421) 4.171 7.346 ( 0.179 0.000 -3.176) 3.181 7.531 ( -1.538 0.000 -2.440) 2.884 7.593 ( 1.386 0.000 2.728) 3.060 7.637 ( -1.798 0.000 2.029) 2.711 7.782 ( -2.205 0.000 2.936) 3.672 8.028 ( 4.929 0.000 -3.670) 6.145 8.129 ( 0.852 0.000 -0.337) 0.917 8.231 ( 0.368 0.000 2.414) 2.442 8.383 ( -0.577 0.000 1.020) 1.172 8.445 ( 1.463 0.000 -2.513) 2.908 8.573 ( -1.142 0.000 1.197) 1.654 8.639 ( -1.311 0.000 3.135) 3.399 8.685 ( 2.835 0.000 -1.174) 3.069 8.709 ( 6.044 0.000 -1.231) 6.168 8.802 ( 0.137 0.000 0.009) 0.137 8.846 ( -0.303 0.000 -1.587) 1.615 9.086 ( -0.625 0.000 0.784) 1.003 9.110 ( 0.577 0.000 0.050) 0.579 9.293 ( -1.765 0.000 -1.580) 2.369 9.340 ( -1.139 0.000 -2.066) 2.359 9.593 ( 1.826 0.000 5.286) 5.592 9.700 ( 6.662 0.000 -0.930) 6.727 9.931 ( -3.404 0.000 -4.119) 5.344 9.953 ( -5.653 0.000 -1.052) 5.750 10.312 ( -2.627 0.000 3.517) 4.390 10.358 ( 5.805 0.000 -3.868) 6.976 10.557 ( -4.408 0.000 5.894) 7.360 10.635 ( -1.001 0.000 -2.526) 2.717 11.206 ( 1.815 0.000 1.746) 2.518 11.233 ( -1.241 0.000 0.758) 1.455 11.310 ( -1.129 0.000 0.173) 1.142 11.330 ( 2.867 0.000 -1.885) 3.431 11.484 ( -0.198 0.000 0.657) 0.686 11.529 ( -0.301 0.000 -1.305) 1.339 11.596 ( 0.203 0.000 2.627) 2.635 11.634 ( 2.964 0.000 -1.995) 3.573 11.813 ( -3.923 0.000 3.002) 4.940 11.928 ( -0.162 0.000 -5.629) 5.631 11.985 ( -1.418 0.000 3.264) 3.559 12.078 ( 2.549 0.000 -2.400) 3.501 12.346 ( 0.176 0.000 2.911) 2.916 12.446 ( 2.828 0.000 -1.365) 3.141 12.594 ( -2.490 0.000 -1.569) 2.942 12.605 ( -1.110 0.000 -5.498) 5.609 13.155 ( 0.325 0.000 0.353) 0.480 13.175 ( -0.207 0.000 2.144) 2.154 13.231 ( -6.199 0.000 6.991) 9.343 13.300 ( 3.001 0.000 -1.193) 3.229 13.401 ( -0.543 0.000 0.098) 0.552 13.552 ( 0.318 0.000 -4.751) 4.761 13.620 ( -0.735 0.000 5.848) 5.894 14.001 ( 4.074 0.000 -5.194) 6.601 14.192 ( -5.419 0.000 2.765) 6.083 14.223 ( 0.654 0.000 -0.063) 0.657 14.368 ( -1.540 0.000 4.261) 4.530 14.412 ( 4.625 0.000 -5.180) 6.944 14.451 ( 4.598 0.000 1.955) 4.996 14.552 ( -0.565 0.000 3.134) 3.185 14.820 ( -6.065 0.000 1.989) 6.383 14.863 ( 0.319 0.000 -3.778) 3.791 15.101 ( -5.910 0.000 8.626) 10.456 15.134 ( 8.003 0.000 -10.312) 13.053 15.263 ( -1.515 0.000 1.220) 1.945 15.366 ( 1.300 0.000 0.610) 1.436 15.382 ( -3.291 0.000 -3.929) 5.125 15.413 ( -1.327 0.000 -4.151) 4.358 15.610 ( 3.789 0.000 -1.251) 3.991 15.790 ( 0.546 0.000 1.989) 2.063 15.978 ( -3.847 0.000 2.513) 4.595 16.035 ( -2.041 0.000 -4.490) 4.933 16.252 ( -6.318 0.000 7.576) 9.865 16.276 ( 2.895 0.000 -5.057) 5.827 16.609 ( -2.326 0.000 6.111) 6.539 16.626 ( -3.918 0.000 7.022) 8.041 16.714 ( 7.315 0.000 -7.208) 10.270 16.874 ( 1.037 0.000 -5.537) 5.634 17.432 ( -0.404 0.000 0.457) 0.610 17.478 ( 0.034 0.000 -2.021) 2.021 17.527 ( 1.204 0.000 -0.489) 1.299 17.556 ( -1.530 0.000 1.137) 1.906 20.497 ( 1.203 0.000 -2.163) 2.475 20.497 ( -1.694 0.000 -0.481) 1.761 20.567 ( 1.868 0.000 3.236) 3.737 20.752 ( -1.509 0.000 0.062) 1.510 20.793 ( 3.030 0.000 -4.907) 5.767 20.803 ( -1.781 0.000 -0.193) 1.791 20.981 ( -3.133 0.000 6.208) 6.954 21.040 ( 3.990 0.000 -3.060) 5.029 21.368 ( -1.326 0.000 5.821) 5.970 21.429 ( -3.773 0.000 5.040) 6.296 21.453 ( 4.309 0.000 -2.280) 4.875 21.503 ( 2.979 0.000 -4.539) 5.429 22.868 ( -5.410 0.000 8.777) 10.310 23.122 ( 4.133 0.000 -7.856) 8.877 23.188 ( -1.808 0.000 3.885) 4.285 23.252 ( 3.950 0.000 -4.147) 5.727 25.095 ( -11.585 0.000 18.921) 22.186 25.163 ( -10.183 0.000 17.304) 20.078 25.343 ( 13.553 0.000 -18.118) 22.627 26.202 ( -1.536 0.000 -10.305) 10.419 27.041 ( -13.999 0.000 21.169) 25.379 27.283 ( -9.877 0.000 13.824) 16.990 27.473 ( 12.293 0.000 -16.587) 20.646 27.708 ( 12.423 0.000 -23.048) 26.183 29.155 ( 0.151 0.000 0.788) 0.802 29.167 ( 0.569 0.000 -10.499) 10.514 29.524 ( 5.275 0.000 -3.838) 6.523 29.770 ( -7.168 0.000 -0.385) 7.178 30.168 ( 0.888 0.000 -2.916) 3.048 30.189 ( -4.292 0.000 -0.402) 4.311 30.239 ( -0.337 0.000 3.414) 3.430 30.280 ( 1.764 0.000 -1.429) 2.270 31.150 ( -5.088 0.000 0.211) 5.093 31.220 ( 3.037 0.000 -6.365) 7.052 31.273 ( -0.362 0.000 4.239) 4.255 31.385 ( 0.486 0.000 -2.159) 2.213 31.744 ( -8.166 0.000 5.171) 9.666 31.898 ( -1.478 0.000 10.290) 10.396 31.900 ( 5.060 0.000 -10.259) 11.439 32.237 ( 2.938 0.000 -6.927) 7.524 32.726 ( -4.109 0.000 6.759) 7.910 32.779 ( -8.551 0.000 9.262) 12.606 32.843 ( 7.302 0.000 -8.788) 11.426 32.996 ( 4.939 0.000 -13.473) 14.350 33.507 ( -1.456 0.000 8.449) 8.573 33.883 ( 5.495 0.000 -9.438) 10.921 33.996 ( 4.641 0.000 -5.402) 7.122 34.025 ( -8.801 0.000 10.886) 13.999 35.633 ( -1.044 0.000 2.814) 3.002 35.683 ( -0.413 0.000 0.046) 0.416 35.700 ( -3.944 0.000 1.975) 4.411 35.767 ( 2.498 0.000 -5.852) 6.363 35.867 ( -0.058 0.000 0.980) 0.981 35.925 ( 0.783 0.000 -1.416) 1.619 36.108 ( 2.343 0.000 -0.135) 2.347 36.146 ( -1.666 0.000 2.455) 2.967 36.352 ( 3.667 0.000 -2.464) 4.418 36.445 ( 5.422 0.000 -1.742) 5.695 36.597 ( -2.255 0.000 3.528) 4.187 36.621 ( -2.827 0.000 -2.905) 4.053 37.749 ( 7.734 0.000 12.409) 14.621 37.961 ( 3.710 0.000 2.468) 4.456 38.158 ( -7.825 0.000 3.677) 8.646 38.398 ( -1.618 0.000 0.426) 1.674 ======================= Grid point 94 (44/64) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 7.064 0.000 3.329) 7.809 1.145 ( -9.692 0.000 -4.954) 10.885 1.267 ( 7.085 0.000 4.616) 8.456 1.373 ( -7.514 0.000 -6.398) 9.869 1.447 ( 0.834 0.000 0.832) 1.178 1.454 ( 0.559 0.000 0.347) 0.658 1.567 ( -2.907 0.000 2.663) 3.942 1.588 ( -2.025 0.000 1.310) 2.412 1.743 ( -11.293 0.000 5.582) 12.597 1.786 ( -3.658 0.000 7.656) 8.485 1.913 ( -3.617 0.000 2.759) 4.549 1.947 ( 4.525 0.000 2.423) 5.133 2.145 ( -0.828 0.000 -4.559) 4.633 2.186 ( 0.733 0.000 -4.762) 4.818 2.340 ( -5.490 0.000 0.717) 5.537 2.386 ( 5.466 0.000 -3.521) 6.501 2.439 ( 0.092 0.000 9.074) 9.074 2.518 ( 3.300 0.000 4.963) 5.960 2.545 ( -4.184 0.000 12.651) 13.325 2.634 ( 3.843 0.000 7.344) 8.289 2.671 ( 4.863 0.000 3.371) 5.917 2.788 ( -0.476 0.000 -7.747) 7.762 2.837 ( 2.035 0.000 8.636) 8.872 2.853 ( 3.696 0.000 5.327) 6.484 3.091 ( 7.581 0.000 -10.904) 13.280 3.187 ( -3.219 0.000 -10.689) 11.163 3.325 ( 1.122 0.000 1.070) 1.550 3.410 ( -2.339 0.000 -8.626) 8.938 3.509 ( -1.246 0.000 0.856) 1.512 3.538 ( -2.413 0.000 0.960) 2.597 3.602 ( 3.777 0.000 -0.675) 3.837 3.627 ( 1.719 0.000 -3.409) 3.818 3.795 ( -2.164 0.000 1.372) 2.562 3.854 ( 3.808 0.000 6.658) 7.670 3.875 ( -0.361 0.000 -4.824) 4.837 3.968 ( -5.875 0.000 -1.803) 6.145 4.124 ( 5.275 0.000 -2.746) 5.947 4.156 ( -0.005 0.000 -8.373) 8.373 4.409 ( 3.592 0.000 7.400) 8.226 4.477 ( -0.487 0.000 10.100) 10.112 4.532 ( 0.127 0.000 -2.114) 2.117 4.605 ( -0.226 0.000 -5.983) 5.988 4.741 ( 1.242 0.000 1.745) 2.142 4.803 ( -1.994 0.000 -3.258) 3.820 4.867 ( 0.457 0.000 1.202) 1.286 4.919 ( -2.226 0.000 -0.499) 2.282 5.063 ( -3.180 0.000 -2.509) 4.051 5.067 ( 2.481 0.000 -0.541) 2.539 5.152 ( 0.619 0.000 2.428) 2.506 5.194 ( 2.574 0.000 -0.852) 2.711 5.386 ( 2.358 0.000 4.856) 5.399 5.409 ( -1.336 0.000 1.052) 1.701 5.495 ( -1.314 0.000 1.588) 2.061 5.573 ( -0.549 0.000 -5.506) 5.534 5.685 ( -6.549 0.000 6.005) 8.885 5.742 ( -11.203 0.000 1.830) 11.352 5.811 ( 6.330 0.000 -0.527) 6.352 5.818 ( -4.687 0.000 1.725) 4.995 5.856 ( -2.459 0.000 7.290) 7.694 5.878 ( 6.384 0.000 -3.622) 7.340 5.887 ( 8.711 0.000 -7.223) 11.316 5.996 ( 3.360 0.000 -7.205) 7.950 6.297 ( -2.015 0.000 4.451) 4.886 6.333 ( -1.587 0.000 -0.009) 1.587 6.392 ( 2.593 0.000 2.266) 3.444 6.468 ( 1.006 0.000 -3.944) 4.071 6.590 ( -7.531 0.000 10.930) 13.273 6.638 ( 3.871 0.000 2.272) 4.488 6.791 ( -4.779 0.000 -1.091) 4.902 6.898 ( 4.540 0.000 -8.181) 9.357 7.265 ( 2.619 0.000 0.001) 2.619 7.281 ( -1.141 0.000 -2.891) 3.108 7.388 ( 3.725 0.000 1.967) 4.212 7.462 ( -1.020 0.000 -5.101) 5.202 7.624 ( -3.060 0.000 2.564) 3.993 7.640 ( 0.315 0.000 1.899) 1.925 7.807 ( -1.858 0.000 7.982) 8.196 7.995 ( 2.378 0.000 -9.951) 10.231 8.185 ( 1.804 0.000 3.940) 4.333 8.231 ( -1.704 0.000 -0.305) 1.732 8.390 ( -1.087 0.000 2.108) 2.371 8.438 ( 0.727 0.000 -2.891) 2.981 8.608 ( 2.758 0.000 2.199) 3.527 8.630 ( -1.842 0.000 0.690) 1.967 8.717 ( 1.844 0.000 -0.928) 2.064 8.736 ( -1.070 0.000 -2.401) 2.629 8.805 ( -0.587 0.000 1.283) 1.411 8.825 ( 0.468 0.000 -0.920) 1.032 9.094 ( 0.532 0.000 1.013) 1.144 9.110 ( -0.147 0.000 -0.788) 0.801 9.270 ( 0.561 0.000 -0.044) 0.563 9.291 ( -1.676 0.000 -2.012) 2.618 9.684 ( 1.173 0.000 5.852) 5.968 9.780 ( 1.831 0.000 -3.248) 3.729 9.845 ( -4.941 0.000 -1.310) 5.112 9.852 ( 2.040 0.000 -2.289) 3.066 10.303 ( -4.494 0.000 5.411) 7.034 10.403 ( 4.387 0.000 -4.667) 6.405 10.558 ( -1.931 0.000 3.871) 4.326 10.611 ( 1.487 0.000 -1.802) 2.336 11.232 ( -0.641 0.000 1.314) 1.462 11.258 ( 2.849 0.000 -0.017) 2.849 11.285 ( -2.317 0.000 1.228) 2.622 11.335 ( 1.420 0.000 -2.741) 3.087 11.498 ( 0.874 0.000 0.448) 0.982 11.500 ( -1.944 0.000 -0.482) 2.003 11.619 ( -1.060 0.000 2.167) 2.412 11.654 ( 1.693 0.000 -1.789) 2.463 11.795 ( -1.916 0.000 2.979) 3.542 11.875 ( 1.450 0.000 -5.116) 5.317 12.000 ( -2.337 0.000 4.817) 5.354 12.084 ( 1.673 0.000 -3.019) 3.451 12.392 ( 0.573 0.000 4.325) 4.363 12.484 ( 2.501 0.000 -0.799) 2.625 12.519 ( -1.060 0.000 -5.269) 5.375 12.525 ( -3.322 0.000 -1.780) 3.769 13.161 ( -3.751 0.000 1.033) 3.891 13.165 ( -0.116 0.000 1.018) 1.025 13.276 ( -0.665 0.000 13.015) 13.032 13.327 ( 0.041 0.000 0.504) 0.506 13.380 ( -0.027 0.000 -3.022) 3.022 13.500 ( 3.750 0.000 -9.276) 10.005 13.701 ( -0.500 0.000 10.522) 10.534 13.932 ( -0.655 0.000 -11.018) 11.038 14.149 ( -4.211 0.000 4.096) 5.874 14.226 ( 2.539 0.000 -3.400) 4.244 14.378 ( -2.363 0.000 3.317) 4.072 14.442 ( 4.423 0.000 -4.621) 6.396 14.533 ( -5.766 0.000 4.206) 7.137 14.551 ( 4.126 0.000 3.367) 5.325 14.737 ( -4.899 0.000 0.644) 4.941 14.833 ( 3.458 0.000 -6.375) 7.253 15.024 ( -9.750 0.000 5.538) 11.213 15.172 ( 9.564 0.000 -9.549) 13.515 15.290 ( 1.665 0.000 3.115) 3.532 15.331 ( -2.379 0.000 1.591) 2.862 15.350 ( -1.490 0.000 -2.848) 3.214 15.389 ( 2.579 0.000 -3.032) 3.981 15.693 ( 4.525 0.000 2.910) 5.380 15.758 ( -3.490 0.000 -2.573) 4.336 15.946 ( -3.924 0.000 3.232) 5.084 16.011 ( 3.526 0.000 -3.412) 4.907 16.225 ( -5.644 0.000 5.334) 7.766 16.292 ( 3.910 0.000 -2.398) 4.587 16.605 ( -5.050 0.000 7.003) 8.635 16.694 ( 0.004 0.000 6.810) 6.810 16.751 ( 6.706 0.000 -7.811) 10.295 16.821 ( 0.613 0.000 -6.367) 6.396 17.433 ( -0.381 0.000 0.852) 0.934 17.459 ( 0.268 0.000 -1.751) 1.771 17.539 ( -1.672 0.000 0.728) 1.823 17.546 ( 1.286 0.000 -0.093) 1.290 20.467 ( -2.072 0.000 1.493) 2.554 20.513 ( 3.053 0.000 -3.234) 4.447 20.634 ( 1.271 0.000 4.143) 4.333 20.710 ( -1.443 0.000 -3.189) 3.500 20.776 ( -1.041 0.000 -0.158) 1.053 20.792 ( 2.008 0.000 -2.590) 3.277 20.988 ( -3.903 0.000 5.517) 6.758 21.073 ( 3.813 0.000 -3.292) 5.038 21.403 ( -1.401 0.000 3.884) 4.129 21.427 ( -3.616 0.000 6.298) 7.262 21.465 ( 1.357 0.000 -3.007) 3.299 21.524 ( 4.171 0.000 -4.089) 5.841 22.900 ( -3.531 0.000 10.019) 10.623 23.086 ( 3.116 0.000 -9.186) 9.701 23.192 ( -2.946 0.000 3.849) 4.847 23.269 ( 3.378 0.000 -4.208) 5.396 25.066 ( -11.890 0.000 14.878) 19.045 25.338 ( -1.171 0.000 30.285) 30.307 25.379 ( 15.029 0.000 -18.392) 23.751 25.896 ( -5.542 0.000 -25.776) 26.365 27.096 ( -12.988 0.000 25.033) 28.202 27.259 ( -10.902 0.000 15.120) 18.641 27.507 ( 13.455 0.000 -16.353) 21.177 27.632 ( 9.938 0.000 -24.833) 26.747 29.144 ( -0.903 0.000 -3.372) 3.491 29.147 ( 4.553 0.000 -3.808) 5.936 29.612 ( -12.013 0.000 1.012) 12.055 29.623 ( 8.091 0.000 -0.091) 8.091 30.137 ( -2.588 0.000 0.957) 2.759 30.166 ( 2.224 0.000 -2.038) 3.016 30.257 ( -1.183 0.000 1.963) 2.292 30.293 ( 1.654 0.000 -1.632) 2.324 31.101 ( -3.231 0.000 3.490) 4.756 31.198 ( 2.976 0.000 -6.305) 6.972 31.301 ( -0.866 0.000 3.194) 3.310 31.368 ( 1.965 0.000 -3.903) 4.370 31.708 ( -5.505 0.000 7.719) 9.481 31.874 ( 5.135 0.000 -9.815) 11.077 31.990 ( -2.019 0.000 11.257) 11.437 32.182 ( 0.768 0.000 -8.539) 8.573 32.725 ( -5.288 0.000 7.452) 9.137 32.736 ( -8.397 0.000 9.132) 12.406 32.870 ( 6.453 0.000 -7.717) 10.059 32.949 ( 7.550 0.000 -13.229) 15.232 33.593 ( -1.426 0.000 10.738) 10.833 33.794 ( 0.111 0.000 -10.545) 10.546 33.973 ( -10.055 0.000 8.341) 13.064 34.092 ( 9.984 0.000 -4.334) 10.884 35.646 ( -3.288 0.000 4.742) 5.771 35.675 ( 0.402 0.000 0.279) 0.489 35.677 ( -0.406 0.000 0.060) 0.411 35.748 ( 3.201 0.000 -5.715) 6.551 35.882 ( 0.269 0.000 1.409) 1.434 35.916 ( 0.426 0.000 -1.988) 2.033 36.144 ( 1.240 0.000 0.916) 1.541 36.147 ( -1.017 0.000 1.035) 1.451 36.371 ( 0.566 0.000 0.395) 0.690 36.431 ( -1.846 0.000 -4.758) 5.104 36.594 ( -1.763 0.000 1.609) 2.387 36.615 ( 3.438 0.000 -0.520) 3.477 37.987 ( -2.732 0.000 1.140) 2.960 37.999 ( 8.120 0.000 1.491) 8.256 38.129 ( -2.782 0.000 14.399) 14.665 38.327 ( -2.406 0.000 -5.709) 6.195 ======================= Grid point 95 (45/64) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -24.419 0.000 0.398) 24.422 1.107 ( -10.092 0.000 9.888) 14.129 1.278 ( 0.980 0.000 -3.340) 3.481 1.377 ( -1.637 0.000 2.805) 3.248 1.432 ( -3.004 0.000 0.590) 3.062 1.463 ( -0.312 0.000 0.481) 0.573 1.567 ( -18.959 0.000 13.918) 23.520 1.624 ( 3.263 0.000 -0.974) 3.405 1.709 ( 14.003 0.000 3.127) 14.348 1.808 ( -0.946 0.000 5.681) 5.759 1.916 ( 0.467 0.000 -1.534) 1.603 2.081 ( 0.431 0.000 4.906) 4.925 2.112 ( -0.633 0.000 -0.942) 1.134 2.154 ( -1.144 0.000 3.201) 3.400 2.259 ( -5.759 0.000 -0.522) 5.782 2.450 ( 4.384 0.000 -3.554) 5.643 2.498 ( 1.537 0.000 1.836) 2.395 2.522 ( -8.236 0.000 -4.811) 9.538 2.613 ( 1.392 0.000 -2.875) 3.194 2.616 ( 6.993 0.000 -3.490) 7.815 2.689 ( 3.728 0.000 6.545) 7.532 2.804 ( 7.554 0.000 -16.375) 18.033 2.823 ( -1.273 0.000 -0.231) 1.294 2.926 ( -2.408 0.000 -17.647) 17.810 3.082 ( 6.661 0.000 3.878) 7.707 3.236 ( 6.371 0.000 1.702) 6.594 3.344 ( 0.575 0.000 -6.649) 6.674 3.370 ( -0.474 0.000 9.557) 9.568 3.517 ( -3.193 0.000 4.130) 5.220 3.535 ( 2.245 0.000 2.648) 3.471 3.611 ( 4.652 0.000 -8.238) 9.461 3.671 ( 5.444 0.000 -2.443) 5.967 3.843 ( 1.257 0.000 4.214) 4.398 3.861 ( 0.510 0.000 -1.961) 2.026 3.884 ( 6.887 0.000 0.297) 6.893 4.028 ( 3.793 0.000 2.899) 4.774 4.094 ( 1.891 0.000 3.237) 3.749 4.166 ( 4.232 0.000 -5.664) 7.070 4.437 ( 1.062 0.000 -9.012) 9.074 4.459 ( -4.220 0.000 5.111) 6.628 4.601 ( 3.645 0.000 -8.578) 9.320 4.648 ( 7.382 0.000 5.954) 9.484 4.742 ( -0.529 0.000 -2.002) 2.071 4.790 ( -0.943 0.000 2.011) 2.221 4.885 ( 0.918 0.000 1.794) 2.016 4.934 ( 2.656 0.000 4.007) 4.807 5.002 ( -2.597 0.000 0.191) 2.604 5.094 ( 1.716 0.000 -1.068) 2.021 5.141 ( -3.561 0.000 -1.836) 4.007 5.172 ( -0.704 0.000 -4.471) 4.526 5.374 ( -1.416 0.000 -1.035) 1.754 5.446 ( -1.106 0.000 -2.114) 2.385 5.489 ( -4.673 0.000 7.688) 8.997 5.503 ( -4.992 0.000 0.445) 5.012 5.549 ( -9.365 0.000 -0.876) 9.405 5.613 ( -8.508 0.000 6.947) 10.984 5.747 ( -4.691 0.000 2.727) 5.426 5.803 ( -4.568 0.000 1.889) 4.943 5.874 ( -2.836 0.000 -4.562) 5.371 5.961 ( 4.493 0.000 4.195) 6.147 5.995 ( 9.619 0.000 -4.305) 10.539 6.006 ( 7.080 0.000 -6.032) 9.301 6.307 ( -2.065 0.000 4.255) 4.729 6.360 ( 4.988 0.000 -2.571) 5.612 6.399 ( -0.739 0.000 -5.240) 5.292 6.454 ( -0.180 0.000 2.693) 2.699 6.579 ( -3.381 0.000 5.312) 6.297 6.738 ( -4.675 0.000 5.287) 7.057 6.767 ( 7.048 0.000 -3.075) 7.690 6.876 ( 3.238 0.000 -3.127) 4.502 7.218 ( -3.087 0.000 -2.291) 3.844 7.292 ( 1.249 0.000 0.341) 1.294 7.382 ( -0.979 0.000 -7.025) 7.093 7.473 ( 3.489 0.000 2.966) 4.579 7.587 ( -4.944 0.000 2.798) 5.681 7.652 ( -0.199 0.000 0.847) 0.870 7.878 ( -2.050 0.000 9.506) 9.725 7.929 ( 2.987 0.000 -10.189) 10.618 8.177 ( -2.321 0.000 -3.016) 3.806 8.233 ( -0.976 0.000 2.456) 2.643 8.403 ( 0.684 0.000 1.694) 1.827 8.412 ( -0.400 0.000 -1.725) 1.771 8.603 ( -0.098 0.000 -1.628) 1.631 8.657 ( -4.281 0.000 0.527) 4.313 8.689 ( 3.547 0.000 -1.004) 3.686 8.710 ( -3.159 0.000 -1.215) 3.384 8.810 ( -0.310 0.000 2.148) 2.170 8.818 ( -0.067 0.000 -1.513) 1.515 9.099 ( -0.027 0.000 -0.618) 0.619 9.114 ( 0.638 0.000 -0.057) 0.641 9.268 ( 0.515 0.000 0.546) 0.751 9.300 ( 1.329 0.000 1.742) 2.191 9.683 ( -6.253 0.000 1.368) 6.401 9.703 ( -1.490 0.000 -6.094) 6.273 9.840 ( 2.479 0.000 4.234) 4.906 9.935 ( 5.633 0.000 0.698) 5.676 10.279 ( -4.865 0.000 4.427) 6.578 10.396 ( 1.419 0.000 -4.563) 4.778 10.577 ( -0.768 0.000 3.520) 3.603 10.641 ( 4.784 0.000 -3.066) 5.682 11.228 ( -0.344 0.000 -0.670) 0.753 11.255 ( -0.680 0.000 -0.634) 0.930 11.299 ( 0.297 0.000 0.613) 0.681 11.334 ( 1.758 0.000 -2.093) 2.734 11.475 ( -1.049 0.000 1.649) 1.955 11.513 ( 0.057 0.000 0.649) 0.652 11.603 ( -2.838 0.000 1.242) 3.098 11.639 ( -0.753 0.000 -2.011) 2.147 11.823 ( 0.037 0.000 4.836) 4.836 11.880 ( 4.967 0.000 -3.950) 6.346 12.004 ( -3.804 0.000 4.981) 6.267 12.064 ( 0.906 0.000 -4.571) 4.660 12.418 ( -3.962 0.000 2.274) 4.568 12.433 ( 0.326 0.000 -6.112) 6.120 12.502 ( 1.207 0.000 4.258) 4.426 12.549 ( 2.098 0.000 2.768) 3.473 13.108 ( -5.354 0.000 3.778) 6.553 13.165 ( -1.634 0.000 1.292) 2.083 13.312 ( -1.310 0.000 0.342) 1.354 13.340 ( 0.462 0.000 -4.658) 4.681 13.449 ( 4.818 0.000 8.844) 10.071 13.499 ( 8.616 0.000 -10.130) 13.298 13.792 ( -0.460 0.000 -11.410) 11.419 13.827 ( -0.576 0.000 13.249) 13.261 14.150 ( -2.353 0.000 6.295) 6.720 14.244 ( 3.535 0.000 -2.379) 4.261 14.362 ( -2.392 0.000 1.026) 2.602 14.405 ( -4.253 0.000 -1.371) 4.468 14.509 ( 1.060 0.000 -1.970) 2.237 14.650 ( 4.353 0.000 -3.195) 5.400 14.701 ( -3.510 0.000 9.700) 10.315 14.861 ( 6.056 0.000 -3.180) 6.840 14.955 ( -7.743 0.000 8.071) 11.185 15.230 ( 7.866 0.000 -6.706) 10.337 15.297 ( -0.567 0.000 -3.182) 3.232 15.320 ( -2.337 0.000 3.790) 4.452 15.361 ( 2.667 0.000 2.785) 3.857 15.393 ( 3.092 0.000 -3.515) 4.682 15.646 ( -5.154 0.000 -4.002) 6.525 15.788 ( 2.947 0.000 1.618) 3.362 15.930 ( -2.384 0.000 5.667) 6.149 16.038 ( 4.071 0.000 -3.713) 5.510 16.187 ( -5.210 0.000 4.471) 6.865 16.344 ( 4.721 0.000 -1.844) 5.069 16.586 ( -5.878 0.000 5.706) 8.192 16.740 ( 1.999 0.000 -7.433) 7.697 16.760 ( -0.681 0.000 6.265) 6.302 16.778 ( 4.235 0.000 -8.440) 9.443 17.439 ( -0.411 0.000 1.711) 1.759 17.448 ( 0.425 0.000 -1.255) 1.325 17.518 ( -1.816 0.000 0.515) 1.888 17.566 ( 1.125 0.000 0.000) 1.125 20.451 ( -2.001 0.000 1.702) 2.627 20.525 ( 2.749 0.000 -2.901) 3.996 20.641 ( -1.763 0.000 -4.471) 4.806 20.691 ( -0.566 0.000 4.733) 4.767 20.769 ( 0.777 0.000 -0.672) 1.028 20.805 ( 1.685 0.000 -0.670) 1.814 20.972 ( -4.367 0.000 4.233) 6.082 21.084 ( 2.533 0.000 -4.339) 5.024 21.407 ( -2.539 0.000 3.097) 4.005 21.428 ( -3.643 0.000 3.664) 5.166 21.449 ( 0.835 0.000 -3.156) 3.265 21.535 ( 3.772 0.000 -5.612) 6.761 22.952 ( -3.584 0.000 9.630) 10.275 23.040 ( 3.788 0.000 -9.065) 9.825 23.177 ( -3.743 0.000 3.748) 5.297 23.266 ( 1.893 0.000 -4.317) 4.714 25.040 ( -10.446 0.000 13.937) 17.417 25.439 ( 16.796 0.000 -18.549) 25.023 25.588 ( 2.948 0.000 -25.493) 25.663 25.803 ( 13.020 0.000 35.476) 37.790 27.119 ( -13.950 0.000 21.213) 25.389 27.271 ( -12.607 0.000 21.520) 24.941 27.490 ( 7.195 0.000 -27.122) 28.060 27.548 ( 11.659 0.000 -14.901) 18.921 29.036 ( -7.199 0.000 -0.784) 7.241 29.179 ( 2.847 0.000 -2.006) 3.483 29.439 ( -11.650 0.000 5.247) 12.777 29.749 ( 5.320 0.000 1.742) 5.598 30.120 ( -1.397 0.000 1.902) 2.360 30.196 ( 3.452 0.000 -1.003) 3.595 30.247 ( -2.171 0.000 1.707) 2.762 30.293 ( 0.754 0.000 -2.228) 2.352 31.112 ( -1.913 0.000 5.167) 5.510 31.196 ( 4.161 0.000 -4.526) 6.149 31.329 ( 0.478 0.000 3.483) 3.515 31.361 ( 2.736 0.000 -5.101) 5.788 31.716 ( -4.836 0.000 9.119) 10.322 31.865 ( 5.912 0.000 -7.826) 9.808 32.061 ( -4.400 0.000 11.121) 11.960 32.090 ( 0.437 0.000 -9.490) 9.500 32.689 ( -7.416 0.000 7.755) 10.730 32.750 ( -4.917 0.000 11.858) 12.837 32.876 ( 5.278 0.000 -8.431) 9.947 32.960 ( 8.868 0.000 -10.590) 13.813 33.676 ( -3.941 0.000 11.749) 12.393 33.680 ( -0.621 0.000 -9.836) 9.855 33.894 ( -8.101 0.000 6.078) 10.128 34.189 ( 8.549 0.000 -6.410) 10.685 35.646 ( -2.126 0.000 4.283) 4.782 35.666 ( -0.393 0.000 -0.775) 0.869 35.695 ( 0.276 0.000 1.014) 1.051 35.764 ( 5.379 0.000 -4.296) 6.884 35.901 ( 0.671 0.000 -2.277) 2.374 35.902 ( 0.286 0.000 1.111) 1.148 36.117 ( -2.828 0.000 -1.222) 3.081 36.170 ( 1.359 0.000 0.288) 1.389 36.348 ( -3.406 0.000 -1.931) 3.915 36.381 ( -2.821 0.000 4.100) 4.976 36.587 ( 0.065 0.000 0.892) 0.895 36.658 ( 3.551 0.000 -2.717) 4.471 37.889 ( -7.250 0.000 -3.277) 7.956 38.015 ( -0.911 0.000 -2.683) 2.833 38.264 ( 3.777 0.000 -6.379) 7.413 38.349 ( 6.848 0.000 8.157) 10.650 ======================= Grid point 96 (46/64) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -5.112 0.000 19.170) 19.840 1.041 ( -11.950 0.000 14.374) 18.692 1.267 ( 1.449 0.000 -4.267) 4.506 1.325 ( -5.241 0.000 -2.053) 5.629 1.411 ( -1.253 0.000 0.871) 1.526 1.438 ( -10.802 0.000 8.509) 13.751 1.510 ( -0.965 0.000 15.313) 15.344 1.716 ( 5.542 0.000 2.895) 6.252 1.811 ( -5.935 0.000 -5.944) 8.400 1.877 ( -2.038 0.000 5.998) 6.334 1.913 ( 7.307 0.000 1.177) 7.401 1.956 ( -17.198 0.000 5.127) 17.946 2.079 ( -0.559 0.000 -0.963) 1.114 2.165 ( -0.963 0.000 -1.331) 1.642 2.223 ( 0.299 0.000 1.484) 1.514 2.290 ( -3.418 0.000 -6.776) 7.589 2.477 ( -1.211 0.000 -10.254) 10.325 2.529 ( 0.643 0.000 -8.699) 8.723 2.620 ( 12.870 0.000 -12.736) 18.107 2.650 ( 0.284 0.000 -5.363) 5.370 2.740 ( -0.182 0.000 -8.627) 8.629 2.758 ( 6.023 0.000 1.768) 6.277 2.876 ( 12.767 0.000 -14.670) 19.448 2.897 ( 0.682 0.000 7.977) 8.006 3.102 ( 1.688 0.000 -1.914) 2.551 3.267 ( 2.366 0.000 0.479) 2.414 3.309 ( 0.543 0.000 -0.971) 1.113 3.416 ( -6.398 0.000 6.820) 9.352 3.483 ( -2.057 0.000 0.592) 2.141 3.584 ( 0.728 0.000 -10.406) 10.431 3.635 ( 3.209 0.000 -2.536) 4.090 3.713 ( 4.134 0.000 0.620) 4.181 3.822 ( 1.930 0.000 2.883) 3.469 4.019 ( -0.094 0.000 3.349) 3.350 4.081 ( 9.693 0.000 -0.806) 9.726 4.089 ( 11.145 0.000 8.401) 13.956 4.142 ( 0.480 0.000 -3.616) 3.648 4.260 ( 6.842 0.000 2.812) 7.397 4.435 ( 8.303 0.000 -5.323) 9.863 4.439 ( -1.734 0.000 4.034) 4.391 4.532 ( 0.790 0.000 -8.627) 8.663 4.718 ( -3.830 0.000 2.729) 4.703 4.734 ( -5.962 0.000 0.365) 5.974 4.781 ( 1.190 0.000 -0.537) 1.305 4.895 ( -6.085 0.000 4.136) 7.358 4.960 ( -3.141 0.000 -4.934) 5.849 5.020 ( 2.586 0.000 -5.092) 5.711 5.049 ( 7.459 0.000 0.265) 7.463 5.114 ( -0.219 0.000 -3.901) 3.907 5.139 ( 0.605 0.000 5.676) 5.708 5.322 ( -11.517 0.000 0.455) 11.526 5.339 ( -2.842 0.000 -0.143) 2.846 5.407 ( 0.123 0.000 -2.868) 2.870 5.439 ( -3.214 0.000 1.543) 3.565 5.511 ( -4.081 0.000 4.558) 6.118 5.567 ( -4.758 0.000 4.480) 6.535 5.749 ( -4.224 0.000 0.294) 4.234 5.765 ( 0.091 0.000 -1.552) 1.555 5.806 ( -0.119 0.000 5.953) 5.954 6.017 ( 1.063 0.000 -3.100) 3.277 6.077 ( 6.864 0.000 -2.484) 7.300 6.087 ( 3.182 0.000 3.022) 4.388 6.331 ( -2.009 0.000 3.970) 4.450 6.337 ( 1.925 0.000 -2.597) 3.233 6.419 ( -4.747 0.000 1.412) 4.953 6.434 ( 5.527 0.000 -5.584) 7.856 6.612 ( -0.993 0.000 4.675) 4.779 6.707 ( -2.571 0.000 -6.357) 6.857 6.745 ( -1.812 0.000 7.351) 7.571 6.991 ( 8.462 0.000 -1.581) 8.609 7.142 ( -3.287 0.000 -1.506) 3.616 7.260 ( -2.484 0.000 -7.005) 7.433 7.345 ( 2.059 0.000 1.566) 2.587 7.502 ( -5.083 0.000 0.670) 5.127 7.577 ( 1.740 0.000 3.618) 4.015 7.656 ( -0.027 0.000 -0.024) 0.037 7.877 ( 3.173 0.000 -8.000) 8.606 7.908 ( -4.758 0.000 5.266) 7.097 8.119 ( -0.797 0.000 -1.396) 1.607 8.204 ( -3.303 0.000 -0.019) 3.303 8.410 ( 2.453 0.000 -0.599) 2.525 8.455 ( 3.842 0.000 0.582) 3.886 8.574 ( -5.266 0.000 0.602) 5.301 8.601 ( -6.608 0.000 -1.393) 6.753 8.611 ( 2.361 0.000 -0.062) 2.362 8.744 ( 4.120 0.000 -1.827) 4.507 8.787 ( -2.060 0.000 -1.476) 2.534 8.804 ( -4.213 0.000 1.977) 4.654 9.093 ( -0.277 0.000 -0.171) 0.326 9.111 ( -0.024 0.000 -0.999) 0.999 9.311 ( 2.056 0.000 2.189) 3.004 9.334 ( 0.219 0.000 1.812) 1.825 9.586 ( -6.017 0.000 0.712) 6.060 9.628 ( 0.620 0.000 -5.985) 6.017 9.940 ( 2.340 0.000 5.553) 6.026 10.018 ( 2.351 0.000 1.697) 2.900 10.261 ( -1.293 0.000 3.054) 3.317 10.366 ( 0.581 0.000 -3.714) 3.760 10.599 ( -2.216 0.000 4.369) 4.899 10.682 ( 4.869 0.000 -4.527) 6.648 11.216 ( 1.409 0.000 -2.490) 2.861 11.235 ( -3.019 0.000 1.314) 3.292 11.287 ( 0.144 0.000 -1.572) 1.579 11.335 ( 0.614 0.000 -2.092) 2.180 11.505 ( 2.510 0.000 0.512) 2.561 11.516 ( -0.642 0.000 1.104) 1.277 11.566 ( -3.435 0.000 1.781) 3.869 11.606 ( -0.569 0.000 -1.630) 1.727 11.886 ( 0.280 0.000 5.452) 5.459 11.931 ( 6.290 0.000 -4.538) 7.756 11.981 ( -5.172 0.000 4.322) 6.740 12.029 ( 0.872 0.000 -3.466) 3.574 12.368 ( -4.591 0.000 2.846) 5.401 12.394 ( 1.829 0.000 -4.259) 4.635 12.587 ( 1.504 0.000 4.884) 5.110 12.613 ( 1.933 0.000 2.461) 3.129 13.083 ( -4.005 0.000 6.218) 7.396 13.148 ( -1.907 0.000 1.648) 2.520 13.298 ( 0.906 0.000 -5.009) 5.090 13.304 ( -0.387 0.000 0.004) 0.387 13.547 ( 9.998 0.000 -9.802) 14.001 13.555 ( 1.598 0.000 0.846) 1.808 13.696 ( 2.233 0.000 -7.717) 8.034 13.855 ( -9.367 0.000 2.220) 9.626 14.200 ( -1.104 0.000 7.131) 7.216 14.271 ( -1.619 0.000 1.612) 2.285 14.334 ( -0.482 0.000 -1.118) 1.217 14.340 ( 0.170 0.000 -0.892) 0.908 14.496 ( 3.027 0.000 -6.752) 7.399 14.541 ( -8.144 0.000 -6.133) 10.195 14.801 ( -0.931 0.000 8.462) 8.513 14.926 ( 1.398 0.000 0.686) 1.557 14.947 ( -2.325 0.000 7.032) 7.406 15.210 ( 0.981 0.000 -7.686) 7.748 15.302 ( 1.746 0.000 -0.817) 1.927 15.338 ( -0.617 0.000 3.122) 3.182 15.430 ( 3.234 0.000 1.270) 3.475 15.497 ( 10.981 0.000 -1.790) 11.126 15.533 ( -4.936 0.000 0.225) 4.941 15.782 ( -2.684 0.000 -2.988) 4.017 16.039 ( 2.826 0.000 6.059) 6.685 16.067 ( 4.249 0.000 -3.260) 5.356 16.187 ( -0.429 0.000 8.110) 8.121 16.393 ( 4.887 0.000 -4.150) 6.411 16.539 ( -7.234 0.000 6.000) 9.399 16.691 ( 2.307 0.000 -7.381) 7.733 16.784 ( 7.554 0.000 -5.777) 9.510 16.799 ( -2.568 0.000 5.493) 6.064 17.447 ( 0.762 0.000 -0.725) 1.051 17.461 ( 0.142 0.000 2.310) 2.314 17.495 ( -1.792 0.000 1.646) 2.433 17.580 ( 0.555 0.000 -0.304) 0.632 20.443 ( -1.270 0.000 1.957) 2.333 20.556 ( 0.348 0.000 -1.050) 1.106 20.577 ( 3.131 0.000 -2.386) 3.936 20.704 ( -3.438 0.000 3.593) 4.973 20.789 ( 2.234 0.000 -0.645) 2.325 20.821 ( -0.007 0.000 0.253) 0.253 20.948 ( -3.335 0.000 3.802) 5.057 21.065 ( 1.490 0.000 -4.846) 5.070 21.357 ( -5.275 0.000 1.337) 5.442 21.422 ( -2.505 0.000 4.432) 5.091 21.426 ( 1.140 0.000 -4.061) 4.218 21.533 ( 3.631 0.000 -5.782) 6.828 22.975 ( -5.639 0.000 8.006) 9.793 23.030 ( 6.088 0.000 -7.269) 9.482 23.159 ( -3.255 0.000 3.893) 5.075 23.244 ( 1.128 0.000 -3.731) 3.898 25.026 ( -9.471 0.000 13.739) 16.687 25.412 ( 8.093 0.000 -21.643) 23.106 25.564 ( 20.451 0.000 -16.903) 26.533 26.094 ( -15.162 0.000 -2.915) 15.440 27.128 ( -11.467 0.000 19.574) 22.685 27.283 ( -16.291 0.000 23.699) 28.758 27.437 ( 18.093 0.000 -13.134) 22.357 27.555 ( 9.499 0.000 -14.595) 17.414 29.111 ( 5.713 0.000 12.481) 13.726 29.203 ( 3.228 0.000 -2.268) 3.945 29.420 ( 4.287 0.000 12.608) 13.317 29.816 ( 0.354 0.000 1.738) 1.774 30.134 ( -0.245 0.000 3.145) 3.155 30.240 ( -0.702 0.000 2.321) 2.425 30.250 ( 3.168 0.000 0.115) 3.170 30.271 ( 0.074 0.000 -2.858) 2.859 31.127 ( -2.655 0.000 4.803) 5.488 31.237 ( 4.750 0.000 -1.503) 4.982 31.338 ( 2.279 0.000 -6.893) 7.259 31.389 ( 2.346 0.000 0.617) 2.425 31.742 ( -4.504 0.000 9.671) 10.668 31.926 ( 8.915 0.000 -3.281) 9.500 32.017 ( 4.948 0.000 -9.692) 10.882 32.076 ( -7.953 0.000 9.944) 12.733 32.665 ( -5.675 0.000 7.847) 9.684 32.828 ( -2.855 0.000 12.983) 13.293 32.866 ( 5.003 0.000 -9.040) 10.332 32.993 ( 8.184 0.000 -9.122) 12.255 33.583 ( 1.032 0.000 -5.879) 5.969 33.676 ( -9.399 0.000 7.912) 12.285 33.887 ( -2.633 0.000 9.214) 9.582 34.223 ( 5.512 0.000 -8.716) 10.312 35.658 ( 0.677 0.000 -0.893) 1.121 35.671 ( -0.743 0.000 4.435) 4.497 35.693 ( -1.788 0.000 0.814) 1.964 35.814 ( 5.483 0.000 -4.373) 7.013 35.893 ( 1.329 0.000 -2.088) 2.475 35.911 ( 0.143 0.000 -0.554) 0.572 36.041 ( -4.710 0.000 1.577) 4.967 36.199 ( 2.660 0.000 -1.655) 3.132 36.276 ( -4.284 0.000 0.489) 4.312 36.357 ( -3.744 0.000 1.618) 4.079 36.626 ( 0.829 0.000 3.593) 3.687 36.681 ( 3.901 0.000 -3.496) 5.238 37.735 ( -2.872 0.000 -7.229) 7.779 37.864 ( -14.244 0.000 -6.045) 15.474 38.295 ( 5.187 0.000 -2.978) 5.981 38.416 ( -1.485 0.000 -2.329) 2.762 ======================= Grid point 97 (47/64) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 7.396 9.907 13.732) 18.478 1.120 ( -5.496 3.025 18.351) 19.394 1.172 ( -6.590 3.886 -6.335) 9.933 1.294 ( 0.658 2.741 -3.774) 4.711 1.404 ( -0.201 2.871 3.763) 4.737 1.450 ( -2.333 6.265 -2.349) 7.086 1.573 ( -4.912 -3.252 6.255) 8.593 1.732 ( -4.907 2.651 0.739) 5.626 1.787 ( 6.219 -3.111 0.955) 7.019 1.896 ( -0.741 2.387 0.313) 2.518 1.969 ( -0.048 2.357 -6.171) 6.606 2.018 ( 2.230 1.452 1.239) 2.935 2.132 ( 1.228 2.162 -3.212) 4.062 2.176 ( 3.932 2.257 0.679) 4.584 2.220 ( -0.907 0.180 -0.890) 1.284 2.283 ( -2.676 2.160 1.121) 3.618 2.347 ( -2.191 5.456 -4.076) 7.155 2.427 ( -0.450 8.337 -3.669) 9.120 2.568 ( -9.459 -3.147 -1.955) 10.159 2.603 ( -4.860 -3.890 -0.836) 6.281 2.673 ( 3.057 0.761 -6.566) 7.282 2.722 ( 10.056 -0.332 -5.953) 11.691 2.800 ( -6.783 2.196 6.301) 9.515 3.016 ( 7.747 2.687 -12.275) 14.762 3.236 ( 3.175 -0.311 7.031) 7.721 3.278 ( -3.266 -2.787 1.926) 4.706 3.340 ( -4.089 -2.697 2.296) 5.410 3.408 ( 1.329 1.159 1.791) 2.513 3.487 ( 7.544 1.829 -4.451) 8.948 3.587 ( -1.791 4.068 -10.084) 11.020 3.625 ( 0.574 3.811 3.502) 5.208 3.706 ( 1.612 2.465 -5.090) 5.880 3.946 ( -0.778 0.278 10.071) 10.105 4.031 ( -3.333 -2.791 -2.140) 4.845 4.099 ( -4.674 5.380 1.530) 7.289 4.183 ( 2.296 3.405 -2.612) 4.867 4.278 ( -0.673 -1.830 4.459) 4.867 4.350 ( 6.445 -5.907 -0.153) 8.744 4.404 ( -1.598 -1.852 2.097) 3.221 4.470 ( 0.567 -0.219 -4.297) 4.340 4.544 ( -7.998 -0.465 0.088) 8.012 4.603 ( 7.699 1.966 -5.040) 9.409 4.731 ( -1.714 -0.392 -0.168) 1.767 4.769 ( 0.535 0.993 -0.949) 1.474 4.817 ( -2.074 -1.808 -0.019) 2.751 4.839 ( 5.062 -0.787 -0.849) 5.193 4.993 ( 1.308 -7.208 2.439) 7.721 5.055 ( -1.121 -3.078 -2.307) 4.006 5.096 ( -1.272 -2.559 0.039) 2.858 5.115 ( -0.646 -3.249 -0.878) 3.427 5.276 ( -1.753 2.545 2.412) 3.921 5.327 ( -2.499 1.295 -0.599) 2.878 5.349 ( -1.230 -1.135 2.997) 3.433 5.427 ( 2.014 -0.206 -3.077) 3.684 5.519 ( -0.408 -1.911 3.808) 4.280 5.566 ( 4.412 0.573 -0.516) 4.479 5.704 ( 1.173 -2.653 2.230) 3.659 5.724 ( -2.819 -1.291 1.062) 3.277 5.876 ( -0.138 0.516 3.235) 3.279 5.966 ( -0.011 -1.415 -3.393) 3.676 6.068 ( -2.474 -3.636 0.065) 4.398 6.113 ( 0.826 -2.465 -2.162) 3.382 6.327 ( -0.342 0.800 1.602) 1.823 6.363 ( 0.705 -1.248 -0.821) 1.652 6.421 ( 1.700 3.431 0.061) 3.830 6.470 ( -1.302 2.118 -5.064) 5.641 6.641 ( -2.745 0.353 3.788) 4.691 6.668 ( 0.588 1.285 1.468) 2.037 6.862 ( 3.488 1.320 5.979) 7.047 6.963 ( -1.326 -2.799 -4.123) 5.157 7.166 ( 1.830 2.267 0.641) 2.983 7.195 ( -2.460 3.755 -4.448) 6.319 7.385 ( 3.312 -1.208 1.407) 3.795 7.407 ( -2.997 -0.578 -0.496) 3.093 7.610 ( -0.740 -1.131 3.076) 3.360 7.648 ( -0.713 0.763 -1.538) 1.860 7.880 ( -0.722 1.657 -0.535) 1.884 7.895 ( 1.558 2.787 -2.627) 4.135 8.141 ( -0.497 0.728 2.495) 2.646 8.183 ( 0.340 1.937 -1.732) 2.621 8.499 ( 3.590 1.843 0.572) 4.075 8.511 ( -3.174 1.192 -0.167) 3.395 8.523 ( 3.240 0.945 0.116) 3.377 8.536 ( -2.639 1.678 -0.770) 3.220 8.680 ( 3.745 -0.085 1.286) 3.960 8.710 ( -2.162 0.014 -1.164) 2.456 8.733 ( -4.461 -0.848 1.978) 4.953 8.780 ( 3.334 -0.800 -2.233) 4.092 9.119 ( -0.358 3.065 0.487) 3.124 9.136 ( 0.346 3.210 -1.284) 3.474 9.338 ( 0.074 -0.905 1.366) 1.641 9.347 ( 0.353 -0.835 0.385) 0.985 9.528 ( -3.386 0.888 2.334) 4.207 9.601 ( 3.234 0.569 -5.123) 6.085 9.952 ( -0.011 -5.298 5.129) 7.374 10.020 ( 0.333 -3.176 -1.814) 3.673 10.313 ( -0.882 2.450 3.288) 4.194 10.384 ( 1.610 3.812 -3.937) 5.712 10.587 ( -4.485 -0.902 5.591) 7.224 10.694 ( 2.960 -0.627 -5.472) 6.253 11.190 ( -2.813 0.068 1.876) 3.382 11.231 ( 2.940 -0.247 -2.332) 3.761 11.280 ( 1.190 -0.732 -0.203) 1.412 11.298 ( -0.837 -0.491 -1.748) 1.999 11.478 ( 0.024 -3.267 1.727) 3.696 11.505 ( -0.819 -3.040 -0.635) 3.212 11.564 ( 1.707 0.656 0.613) 1.929 11.580 ( -1.266 -0.082 -0.778) 1.488 11.929 ( -4.209 1.557 3.709) 5.822 11.950 ( -1.281 -0.314 3.478) 3.719 11.998 ( 5.249 0.951 -3.306) 6.276 12.012 ( 1.099 -0.336 -2.925) 3.143 12.357 ( -3.510 2.180 3.732) 5.568 12.415 ( 2.758 1.666 -2.592) 4.135 12.626 ( -0.180 -1.180 1.885) 2.232 12.635 ( 0.928 -2.235 0.999) 2.618 13.115 ( -1.308 0.432 5.960) 6.117 13.159 ( -1.814 1.507 3.045) 3.852 13.271 ( 1.213 0.575 -2.997) 3.284 13.299 ( 0.010 0.886 -1.668) 1.889 13.484 ( -9.847 -3.971 5.753) 12.076 13.542 ( 1.910 -3.008 -0.896) 3.674 13.651 ( 1.156 -0.598 -3.802) 4.019 13.744 ( 8.230 -0.645 -8.807) 12.071 14.208 ( -3.009 -1.707 3.930) 5.236 14.250 ( -1.200 -1.585 5.663) 6.001 14.291 ( 0.579 -2.352 -1.683) 2.950 14.341 ( -2.218 -2.591 0.312) 3.425 14.418 ( 0.043 1.575 0.512) 1.657 14.478 ( 1.735 0.589 -6.253) 6.516 14.819 ( -1.635 -2.784 6.522) 7.278 14.905 ( 0.653 -3.177 -1.172) 3.448 15.015 ( -1.920 2.551 6.533) 7.271 15.165 ( 3.247 1.006 -8.156) 8.836 15.322 ( 1.237 0.177 -1.356) 1.844 15.330 ( -1.212 0.363 -1.992) 2.360 15.439 ( -4.530 -2.867 1.067) 5.466 15.464 ( 4.438 -2.432 -1.251) 5.213 15.720 ( -0.236 6.578 0.012) 6.582 15.751 ( 0.606 6.809 -2.549) 7.296 16.054 ( -3.738 -0.130 2.973) 4.777 16.104 ( 2.752 -0.266 -1.866) 3.336 16.167 ( -0.312 -8.009 7.993) 11.319 16.323 ( 1.638 -5.838 -7.628) 9.744 16.561 ( -4.352 3.318 6.628) 8.595 16.683 ( 3.190 1.817 -5.633) 6.724 16.772 ( -5.014 -1.491 3.394) 6.236 16.854 ( 7.298 -1.446 -4.731) 8.817 17.453 ( -0.367 -0.247 0.395) 0.593 17.461 ( 0.315 0.048 -0.450) 0.552 17.520 ( 0.495 -0.542 2.994) 3.082 17.560 ( -0.385 -1.114 -1.219) 1.695 20.471 ( 0.199 1.301 1.970) 2.369 20.517 ( -0.554 0.447 -2.703) 2.795 20.665 ( -3.623 0.317 1.271) 3.853 20.684 ( 5.135 0.097 -0.577) 5.169 20.821 ( -0.589 1.502 1.153) 1.984 20.838 ( 0.352 2.258 -0.575) 2.357 20.952 ( -2.061 0.165 4.694) 5.129 21.041 ( 0.858 0.072 -4.493) 4.575 21.312 ( -2.988 -0.502 3.876) 4.920 21.369 ( 0.002 -2.609 0.038) 2.610 21.435 ( -0.003 0.127 0.324) 0.348 21.510 ( 2.931 -1.672 -5.590) 6.530 22.983 ( -5.961 3.389 5.379) 8.715 23.085 ( 5.532 1.360 -4.669) 7.366 23.158 ( -1.481 0.017 3.361) 3.673 23.230 ( 2.017 -0.227 -3.774) 4.285 25.031 ( -9.122 0.375 14.377) 17.031 25.318 ( 1.897 -3.911 -8.444) 9.497 25.478 ( -15.662 -7.652 3.507) 17.780 25.714 ( 21.501 -6.258 -15.183) 27.055 27.163 ( -13.860 -0.747 15.058) 20.479 27.244 ( -4.435 2.757 5.449) 7.547 27.697 ( 2.209 14.511 -5.637) 15.723 27.781 ( 13.234 11.471 -13.289) 21.984 29.117 ( -2.893 -4.729 6.008) 8.175 29.192 ( 2.175 -4.277 -1.946) 5.178 29.668 ( 8.455 -8.204 3.385) 12.258 29.712 ( -3.010 -6.910 -1.301) 7.649 30.182 ( -0.496 1.284 3.515) 3.775 30.234 ( -0.776 -0.338 -0.843) 1.195 30.268 ( -0.384 0.199 0.126) 0.450 30.301 ( 3.393 0.226 -2.231) 4.067 31.165 ( -1.614 1.507 4.420) 4.941 31.253 ( 1.015 -1.595 -4.662) 5.030 31.324 ( 4.899 0.180 1.033) 5.010 31.382 ( -2.916 0.580 -4.554) 5.439 31.776 ( -4.111 -0.108 9.432) 10.289 31.947 ( -1.471 -3.689 -2.978) 4.964 31.964 ( -1.682 -1.315 0.999) 2.357 32.069 ( 8.931 -3.837 -4.908) 10.889 32.709 ( -5.285 3.324 9.590) 11.444 32.832 ( -3.405 0.858 5.354) 6.403 32.947 ( 2.130 4.323 -5.610) 7.396 33.064 ( 7.882 2.787 -9.492) 12.649 33.565 ( -7.467 -0.907 4.211) 8.621 33.636 ( 7.611 -0.703 -2.954) 8.194 33.948 ( -2.972 -1.258 10.610) 11.090 34.147 ( 1.989 -3.432 -9.745) 10.522 35.657 ( 0.488 -0.951 0.557) 1.205 35.664 ( -2.225 0.217 0.745) 2.356 35.702 ( -0.825 -0.856 2.967) 3.196 35.793 ( 3.080 -2.011 -5.184) 6.356 35.913 ( -1.806 3.416 0.582) 3.908 35.945 ( 1.742 4.206 -2.480) 5.185 36.108 ( 3.100 3.045 4.899) 6.549 36.201 ( -2.339 2.794 -4.370) 5.690 36.279 ( 2.951 0.011 1.448) 3.287 36.300 ( -2.832 -0.440 -0.235) 2.876 36.600 ( -3.623 -4.640 2.792) 6.515 36.650 ( 2.195 -5.705 -2.411) 6.571 37.487 ( -2.983 -2.323 10.802) 11.444 37.712 ( -3.321 -0.904 -13.252) 13.692 38.375 ( 2.125 6.475 6.065) 9.122 38.486 ( -2.555 7.801 -5.320) 9.782 ======================= Grid point 98 (48/64) ======================= q-point: ( 0.17 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -4.707 5.852 -7.111) 10.343 1.200 ( 2.823 5.365 5.029) 7.877 1.213 ( 1.212 4.693 4.614) 6.692 1.300 ( 2.452 -0.757 1.013) 2.759 1.411 ( -0.123 4.447 2.954) 5.340 1.486 ( 3.831 5.843 1.693) 7.189 1.598 ( -6.969 -4.921 13.977) 16.375 1.707 ( -1.774 0.909 -1.061) 2.258 1.761 ( -3.699 -2.920 -0.097) 4.714 1.850 ( -0.348 -0.791 -2.005) 2.183 1.937 ( 0.358 1.685 0.374) 1.763 2.029 ( 2.927 0.203 -10.680) 11.076 2.131 ( -3.312 3.696 -0.756) 5.020 2.203 ( 3.924 -2.415 -9.497) 10.556 2.227 ( 0.206 0.194 0.892) 0.936 2.270 ( 2.903 -0.714 11.618) 11.996 2.318 ( -10.272 1.911 3.145) 10.912 2.403 ( 0.156 6.453 6.326) 9.038 2.500 ( 0.082 6.138 0.295) 6.146 2.516 ( -4.379 -0.702 5.541) 7.097 2.703 ( 4.703 -0.990 -3.180) 5.763 2.764 ( -7.258 10.380 9.534) 15.853 2.857 ( 11.101 3.478 -4.379) 12.429 2.941 ( 0.017 -3.094 -10.172) 10.632 3.211 ( -4.528 0.856 -3.786) 5.964 3.266 ( -5.457 -2.402 2.457) 6.448 3.290 ( -5.785 -1.313 7.590) 9.633 3.424 ( 1.769 -2.490 -3.558) 4.689 3.488 ( 4.785 4.711 -6.281) 9.195 3.576 ( 1.977 5.020 2.170) 5.815 3.689 ( 2.945 3.455 -4.374) 6.304 3.702 ( 3.848 1.167 -0.876) 4.115 3.935 ( -4.898 -1.081 0.915) 5.098 4.010 ( -6.908 0.795 5.754) 9.026 4.022 ( -5.035 3.468 2.144) 6.479 4.115 ( -11.149 -5.554 2.328) 12.671 4.199 ( -2.410 5.965 -4.603) 7.911 4.304 ( -1.400 -1.328 0.720) 2.060 4.380 ( -6.204 -2.660 -4.191) 7.945 4.462 ( -1.262 0.419 1.116) 1.736 4.507 ( 1.031 1.295 -1.295) 2.102 4.706 ( 0.302 -3.530 2.291) 4.219 4.723 ( 7.125 -2.099 0.575) 7.450 4.801 ( 4.312 3.096 -3.130) 6.162 4.855 ( 3.730 -2.662 -1.391) 4.789 4.925 ( 5.726 -1.863 -1.292) 6.159 4.951 ( -4.190 -2.060 -1.102) 4.797 5.035 ( -0.320 -4.195 1.334) 4.414 5.071 ( -3.820 -1.361 0.354) 4.071 5.108 ( -0.266 -5.155 2.505) 5.738 5.246 ( -1.632 -1.757 2.770) 3.664 5.300 ( -1.910 1.345 2.080) 3.128 5.403 ( 0.741 -0.989 1.259) 1.764 5.479 ( 9.159 0.836 -2.323) 9.486 5.550 ( 3.620 -2.189 -0.927) 4.331 5.664 ( 9.435 -0.210 -4.437) 10.428 5.690 ( -0.071 -2.718 0.700) 2.807 5.774 ( 1.202 -2.239 2.352) 3.463 5.859 ( -6.457 -2.103 3.099) 7.464 5.912 ( -1.552 -0.003 -1.838) 2.406 6.025 ( -2.663 -0.370 0.118) 2.691 6.092 ( -0.603 -2.108 -0.588) 2.270 6.336 ( -3.249 1.956 0.551) 3.833 6.369 ( -0.846 0.152 2.804) 2.932 6.389 ( -0.642 1.040 -2.500) 2.783 6.445 ( 0.719 1.903 -0.536) 2.104 6.623 ( -3.174 1.553 4.394) 5.639 6.742 ( 4.263 1.907 -0.415) 4.688 6.858 ( -3.197 1.412 -5.697) 6.683 6.970 ( 3.831 -1.812 0.709) 4.296 7.138 ( -1.396 4.199 1.259) 4.601 7.230 ( 4.196 1.431 0.852) 4.514 7.363 ( -0.518 -0.789 -1.763) 2.000 7.465 ( 4.313 -1.632 1.206) 4.767 7.605 ( -2.835 0.546 0.671) 2.964 7.630 ( -0.699 -1.196 1.734) 2.219 7.838 ( -1.803 2.718 -1.254) 3.494 7.950 ( 5.045 1.122 0.081) 5.169 8.124 ( -2.575 -1.081 0.641) 2.865 8.195 ( 1.242 0.956 -0.644) 1.694 8.453 ( -2.019 3.521 -1.214) 4.236 8.484 ( -1.008 1.839 -0.435) 2.142 8.579 ( 3.563 -0.071 -0.216) 3.570 8.600 ( 3.152 1.079 0.735) 3.412 8.655 ( 1.566 1.927 -1.887) 3.118 8.706 ( -2.740 1.157 2.480) 3.872 8.749 ( 2.471 -1.939 -0.444) 3.172 8.821 ( 3.820 -1.589 -1.274) 4.329 9.125 ( 0.354 3.113 0.456) 3.166 9.128 ( -0.104 3.024 -0.399) 3.052 9.321 ( -1.911 -1.251 -0.461) 2.330 9.357 ( 0.049 -0.911 -0.464) 1.024 9.528 ( -0.701 0.587 3.758) 3.868 9.621 ( 4.797 0.205 -3.139) 5.736 9.975 ( -2.106 -3.907 1.174) 4.591 9.979 ( -2.014 -4.464 -2.458) 5.479 10.324 ( -1.778 2.083 2.817) 3.929 10.375 ( 2.616 3.735 -3.580) 5.797 10.569 ( -5.632 -0.665 6.676) 8.759 10.669 ( 0.433 -0.979 -4.063) 4.202 11.180 ( -0.476 0.548 1.533) 1.696 11.260 ( -0.843 -0.803 -0.562) 1.293 11.269 ( 2.899 -0.102 -1.979) 3.512 11.301 ( 0.706 -1.104 0.389) 1.367 11.455 ( -1.434 -3.184 0.036) 3.493 11.536 ( 1.965 -2.428 1.281) 3.376 11.554 ( -0.860 0.170 -0.719) 1.134 11.604 ( 2.441 0.093 -0.165) 2.449 11.878 ( -4.986 2.165 2.873) 6.149 11.973 ( -0.782 -0.012 2.673) 2.785 11.989 ( 0.606 0.269 -4.064) 4.118 12.046 ( 4.277 -0.009 -2.804) 5.114 12.347 ( -2.089 2.164 3.215) 4.403 12.437 ( 3.030 1.700 -2.424) 4.237 12.621 ( -1.421 -1.405 -0.099) 2.001 12.638 ( -0.226 -2.087 -1.708) 2.706 13.152 ( -0.968 0.431 1.645) 1.957 13.162 ( -0.763 0.665 3.291) 3.443 13.263 ( -1.397 1.264 1.052) 2.158 13.292 ( 1.755 1.109 -1.847) 2.779 13.410 ( -5.910 -0.803 5.342) 8.007 13.564 ( 0.423 -2.025 1.229) 2.407 13.602 ( 0.070 0.068 -4.012) 4.013 13.850 ( 11.539 -5.551 -6.701) 14.453 14.195 ( -2.777 -0.942 3.402) 4.491 14.245 ( -3.656 -2.152 -0.219) 4.248 14.311 ( -2.135 -2.563 7.647) 8.343 14.344 ( 3.812 -1.244 -1.129) 4.166 14.404 ( 1.606 -0.504 -4.115) 4.446 14.515 ( 4.565 1.128 0.419) 4.721 14.826 ( -3.779 -3.434 3.058) 5.952 14.894 ( 0.288 -1.431 -2.223) 2.659 15.067 ( -0.550 1.384 6.245) 6.420 15.150 ( 5.311 1.966 -7.718) 9.573 15.290 ( -2.219 0.829 0.504) 2.421 15.334 ( 0.630 0.079 0.584) 0.863 15.367 ( -4.284 -4.280 -0.081) 6.056 15.524 ( 3.641 -3.855 -0.830) 5.367 15.663 ( -4.217 8.177 -1.309) 9.293 15.772 ( 1.600 4.622 0.558) 4.923 16.006 ( -5.005 -1.049 1.943) 5.471 16.118 ( 0.304 0.046 -0.662) 0.730 16.212 ( -3.526 -5.517 5.941) 8.841 16.258 ( 1.405 -4.688 -7.416) 8.885 16.574 ( -2.498 1.997 6.511) 7.254 16.669 ( -4.221 -0.257 2.367) 4.846 16.721 ( 2.033 1.644 -5.107) 5.737 16.892 ( 3.774 -0.949 -5.029) 6.359 17.442 ( -0.681 0.278 0.093) 0.741 17.476 ( 1.023 -0.448 -0.097) 1.121 17.532 ( -0.408 -0.596 -1.729) 1.874 17.549 ( -0.312 -0.785 1.539) 1.756 20.473 ( -0.296 0.027 -0.442) 0.532 20.534 ( 2.318 1.102 1.098) 2.792 20.605 ( -3.170 2.867 -0.229) 4.280 20.746 ( 3.198 -0.925 -1.500) 3.651 20.797 ( -0.854 0.834 -0.741) 1.405 20.849 ( -0.338 2.249 -0.136) 2.279 20.970 ( -2.264 0.517 5.182) 5.679 21.022 ( 2.065 -0.228 -2.913) 3.578 21.322 ( -1.559 -0.785 4.624) 4.942 21.389 ( 1.574 -1.747 0.895) 2.516 21.436 ( -0.227 0.169 0.480) 0.558 21.493 ( 2.500 -1.940 -5.520) 6.363 22.934 ( -6.658 4.160 5.763) 9.739 23.120 ( 4.568 0.469 -4.809) 6.649 23.175 ( -0.917 0.219 3.075) 3.217 23.229 ( 2.990 -0.816 -4.055) 5.104 25.047 ( -8.971 -0.140 16.160) 18.484 25.221 ( -16.114 -3.963 13.419) 21.341 25.355 ( 9.198 1.839 -16.559) 19.031 25.917 ( 18.666 -14.380 -11.578) 26.254 27.098 ( -14.222 0.457 15.940) 21.367 27.257 ( -5.905 0.260 11.109) 12.583 27.647 ( 3.295 12.910 -10.305) 16.844 27.839 ( 10.151 9.961 -13.253) 19.440 29.107 ( -2.798 -3.539 2.205) 5.021 29.218 ( 2.562 -4.419 -2.162) 5.547 29.580 ( -4.882 -2.876 -6.096) 8.323 29.753 ( 0.271 -8.382 -0.899) 8.434 30.187 ( -1.541 -0.000 0.042) 1.541 30.223 ( -0.825 -0.006 1.691) 1.881 30.255 ( -0.564 0.953 -0.707) 1.314 30.308 ( 1.401 1.519 -3.040) 3.676 31.199 ( -0.837 -1.323 4.146) 4.432 31.224 ( -0.074 0.158 -2.053) 2.060 31.276 ( -1.678 1.142 -5.507) 5.869 31.404 ( 2.311 1.166 1.500) 2.992 31.811 ( -3.751 -1.192 8.859) 9.694 31.843 ( -9.753 -2.407 3.025) 10.492 31.945 ( 5.133 1.672 -8.933) 10.438 32.149 ( 6.797 -6.237 -5.673) 10.830 32.731 ( -4.577 2.665 8.934) 10.386 32.824 ( -5.718 1.582 7.114) 9.264 32.914 ( 3.600 5.412 -7.569) 9.977 33.068 ( 5.615 1.915 -10.855) 12.370 33.503 ( -4.467 1.579 4.596) 6.601 33.758 ( 10.314 -3.224 -3.956) 11.507 33.998 ( -5.632 -2.170 11.139) 12.669 34.052 ( -0.269 -2.642 -9.509) 9.873 35.640 ( -1.915 0.591 1.644) 2.592 35.669 ( -0.341 -1.379 0.993) 1.734 35.712 ( -1.283 -1.313 1.911) 2.650 35.781 ( 2.856 -0.932 -5.601) 6.356 35.897 ( -1.556 3.349 1.619) 4.032 35.968 ( 2.913 4.871 -1.670) 5.916 36.127 ( 0.056 2.595 -4.715) 5.382 36.180 ( -1.288 3.280 3.702) 5.111 36.285 ( 2.819 -1.645 -0.982) 3.408 36.353 ( 4.504 -0.359 0.795) 4.588 36.566 ( -3.000 -3.958 3.115) 5.862 36.670 ( 0.896 -3.594 -1.610) 4.039 37.508 ( -1.890 -2.237 3.702) 4.721 37.730 ( 6.669 -6.437 6.603) 11.380 38.349 ( -5.657 7.909 -4.167) 10.579 38.474 ( 0.805 6.783 4.363) 8.105 ======================= Grid point 99 (49/64) ======================= q-point: ( 0.33 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 10.370 6.111 -4.545) 12.867 1.240 ( -2.132 4.130 3.363) 5.737 1.244 ( 1.758 1.952 -2.915) 3.924 1.358 ( 1.288 -1.818 2.379) 3.260 1.447 ( -1.940 0.488 -2.570) 3.256 1.501 ( 3.715 2.524 -2.357) 5.072 1.568 ( -0.592 -0.134 4.835) 4.873 1.728 ( -3.986 0.001 2.922) 4.943 1.764 ( -4.547 -3.768 -3.604) 6.918 1.839 ( -2.970 3.398 1.395) 4.724 1.872 ( -11.323 -2.526 15.428) 19.303 2.036 ( 1.912 4.735 0.986) 5.201 2.072 ( 3.240 -4.345 -2.994) 6.192 2.180 ( -1.547 -5.674 1.536) 6.078 2.198 ( -0.626 -2.447 -4.844) 5.463 2.296 ( 0.418 -0.507 8.860) 8.884 2.410 ( 3.135 0.879 -1.584) 3.621 2.472 ( -4.068 1.238 5.427) 6.894 2.487 ( -1.165 4.112 6.520) 7.796 2.550 ( 1.842 6.071 4.420) 7.732 2.705 ( 0.418 3.832 -5.800) 6.965 2.762 ( -0.832 7.702 12.693) 14.870 2.899 ( 1.269 2.928 -3.329) 4.612 2.975 ( 9.317 -0.425 -3.425) 9.936 3.090 ( -8.117 5.701 0.503) 9.932 3.213 ( 1.605 0.377 -3.199) 3.599 3.278 ( -0.594 -3.052 -1.153) 3.316 3.462 ( 2.675 -4.007 2.700) 5.523 3.537 ( 1.204 0.811 -0.543) 1.549 3.610 ( -2.090 5.765 6.024) 8.596 3.635 ( 0.875 4.935 -7.782) 9.256 3.749 ( 1.366 -0.411 1.171) 1.846 3.799 ( -8.697 4.872 -6.906) 12.127 3.905 ( -7.175 3.425 1.194) 8.039 3.934 ( -7.318 -6.420 1.502) 9.850 4.057 ( -0.484 1.571 2.679) 3.143 4.132 ( -0.016 3.153 -2.343) 3.929 4.258 ( 1.072 1.857 -5.258) 5.679 4.328 ( -1.137 1.122 -1.891) 2.476 4.427 ( -4.662 -0.362 7.401) 8.754 4.520 ( 0.472 3.188 2.217) 3.912 4.723 ( -4.282 -0.354 -0.945) 4.399 4.746 ( -0.895 -2.731 -0.865) 3.001 4.792 ( 0.704 -0.494 -0.328) 0.920 4.868 ( 1.002 -3.705 0.269) 3.848 4.917 ( -0.650 -2.025 -4.743) 5.199 4.990 ( 3.130 -4.566 -0.947) 5.616 5.054 ( 2.103 -2.983 -0.038) 3.650 5.083 ( 1.347 -1.034 2.616) 3.119 5.115 ( -0.247 -3.164 2.513) 4.048 5.265 ( -1.008 -2.909 3.312) 4.522 5.342 ( 2.057 -0.499 4.980) 5.411 5.442 ( 2.743 -3.082 0.948) 4.233 5.579 ( 2.764 -3.403 -5.618) 7.126 5.623 ( 10.847 1.249 -3.671) 11.520 5.714 ( 4.959 -3.144 -2.749) 6.483 5.743 ( -7.003 -5.114 4.393) 9.721 5.783 ( -3.051 -4.468 1.545) 5.627 5.799 ( 6.756 1.133 -1.550) 7.024 5.911 ( 0.619 2.936 2.186) 3.712 5.978 ( -0.683 3.001 -3.118) 4.381 6.072 ( -3.192 0.957 0.655) 3.396 6.270 ( -3.920 0.245 1.276) 4.130 6.356 ( -1.560 0.605 -3.165) 3.580 6.412 ( 1.900 2.815 3.651) 4.986 6.436 ( -1.414 -0.092 3.451) 3.731 6.629 ( -2.554 0.467 3.667) 4.493 6.728 ( -3.301 9.174 -0.344) 9.756 6.803 ( 1.512 -3.747 -4.344) 5.933 6.985 ( 1.016 2.309 -4.463) 5.126 7.173 ( 2.284 0.441 2.515) 3.426 7.288 ( 1.706 -1.251 -1.302) 2.484 7.368 ( 3.003 3.221 -0.280) 4.413 7.515 ( 0.624 -0.633 -1.720) 1.936 7.589 ( -0.006 -0.273 3.115) 3.127 7.637 ( -1.457 -1.084 2.288) 2.921 7.806 ( -1.317 2.483 0.882) 2.946 8.034 ( 4.126 0.347 -1.975) 4.588 8.083 ( -1.737 -4.344 0.591) 4.716 8.186 ( -1.282 -2.550 -0.556) 2.907 8.439 ( 0.937 3.889 0.033) 4.000 8.484 ( 1.265 3.454 -1.138) 3.851 8.579 ( -0.804 0.364 0.925) 1.279 8.659 ( -1.168 1.985 3.015) 3.794 8.684 ( 2.723 0.046 -1.327) 3.030 8.729 ( 4.680 1.567 -1.428) 5.138 8.766 ( 1.549 -2.076 -1.013) 2.781 8.846 ( 0.111 -0.655 -0.977) 1.181 9.120 ( -0.571 3.077 0.571) 3.181 9.142 ( 0.905 3.010 0.323) 3.160 9.278 ( -1.622 -1.292 -1.248) 2.420 9.336 ( -1.345 -0.541 -1.413) 2.024 9.578 ( 1.325 -0.689 3.968) 4.239 9.688 ( 5.601 -1.145 -1.020) 5.807 9.892 ( -2.648 -3.506 -4.750) 6.470 9.930 ( -4.362 -2.515 0.053) 5.036 10.326 ( -2.361 1.869 3.931) 4.952 10.395 ( 4.228 3.026 -3.447) 6.238 10.552 ( -4.379 -0.679 5.579) 7.125 10.628 ( -0.955 -0.849 -2.362) 2.685 11.201 ( 1.283 -0.507 0.597) 1.503 11.241 ( -0.832 0.730 0.642) 1.280 11.284 ( -0.701 -1.910 0.242) 2.049 11.312 ( 1.635 -1.957 -1.873) 3.164 11.451 ( 0.876 -2.704 -0.092) 2.844 11.532 ( -1.083 -0.328 -0.702) 1.331 11.581 ( 1.053 -1.387 2.213) 2.817 11.633 ( 1.937 -0.177 -1.119) 2.244 11.839 ( -3.446 2.541 2.728) 5.077 11.945 ( 0.255 1.556 -5.053) 5.293 11.988 ( -0.980 0.459 3.034) 3.221 12.073 ( 2.573 -0.432 -2.422) 3.560 12.361 ( -0.500 1.469 3.235) 3.588 12.458 ( 2.629 1.105 -1.999) 3.483 12.578 ( -2.330 -1.821 -2.227) 3.702 12.593 ( -1.393 -1.279 -3.953) 4.382 13.144 ( -0.967 -0.416 1.124) 1.540 13.183 ( -0.404 0.223 1.384) 1.459 13.245 ( -4.026 1.555 4.670) 6.359 13.313 ( 1.417 0.917 0.562) 1.779 13.390 ( -1.002 -0.580 0.047) 1.159 13.563 ( 1.572 0.818 -5.286) 5.576 13.597 ( -0.999 -2.315 5.294) 5.864 13.916 ( 5.890 -8.835 -8.816) 13.802 14.173 ( -4.254 -1.203 2.543) 5.100 14.205 ( -0.013 -1.101 -0.809) 1.367 14.341 ( -2.382 -2.049 5.359) 6.212 14.399 ( 3.946 -1.667 -3.281) 5.396 14.436 ( 5.017 -0.429 1.976) 5.409 14.580 ( 0.305 1.817 2.509) 3.113 14.781 ( -3.509 -2.400 0.655) 4.301 14.872 ( 0.109 -0.177 -2.334) 2.343 15.116 ( 0.773 0.898 1.819) 2.171 15.155 ( 0.323 2.588 -2.665) 3.729 15.257 ( -1.753 -0.077 0.702) 1.890 15.319 ( 0.322 -1.592 0.023) 1.624 15.363 ( 0.535 -0.770 0.784) 1.222 15.541 ( -5.568 4.610 -3.233) 7.919 15.580 ( 3.095 -0.224 -0.709) 3.183 15.790 ( -0.275 0.480 -0.415) 0.691 15.954 ( -3.521 -0.967 2.817) 4.612 16.087 ( 0.444 3.069 -5.529) 6.339 16.190 ( -6.139 -6.193 7.473) 11.484 16.243 ( 3.617 -2.595 -4.795) 6.543 16.610 ( -3.610 0.052 6.309) 7.269 16.630 ( -3.573 0.340 7.070) 7.929 16.734 ( 6.808 1.783 -7.356) 10.180 16.876 ( 1.492 -0.027 -5.541) 5.738 17.437 ( -0.270 0.595 0.455) 0.796 17.477 ( 0.058 -0.085 -1.384) 1.388 17.522 ( 1.061 -0.513 -0.696) 1.369 17.549 ( -1.271 -0.706 0.918) 1.720 20.476 ( 0.778 0.314 0.087) 0.844 20.529 ( -1.627 1.177 -0.882) 2.193 20.623 ( 2.420 4.797 2.346) 5.863 20.754 ( -0.945 0.190 0.189) 0.982 20.786 ( 2.698 -0.619 -4.410) 5.207 20.820 ( -2.313 1.569 -0.402) 2.824 20.991 ( -2.809 0.893 5.922) 6.615 21.042 ( 3.286 -0.039 -1.973) 3.833 21.356 ( -1.105 -1.041 5.424) 5.633 21.409 ( -3.225 -1.729 4.470) 5.777 21.456 ( 3.361 -0.028 -2.387) 4.122 21.481 ( 3.558 -2.026 -5.082) 6.526 22.907 ( -4.916 3.804 7.196) 9.509 23.122 ( 3.067 -0.035 -6.457) 7.148 23.189 ( -1.444 0.012 3.035) 3.361 23.240 ( 3.490 -1.188 -3.694) 5.219 25.083 ( -11.016 -0.959 18.519) 21.569 25.150 ( -10.684 -1.358 16.904) 20.043 25.357 ( 13.486 1.434 -18.452) 22.900 25.982 ( 6.335 -17.893 -17.217) 25.627 27.072 ( -12.042 3.134 20.555) 24.028 27.269 ( -8.467 -0.702 12.552) 15.157 27.590 ( 6.513 8.081 -14.611) 17.922 27.792 ( 4.813 6.772 -18.208) 20.014 29.090 ( 0.668 -1.706 -0.242) 1.848 29.228 ( 2.811 1.439 -3.239) 4.523 29.508 ( 3.569 -1.377 -4.127) 5.627 29.699 ( -5.014 -6.473 -1.026) 8.252 30.162 ( -0.384 -0.008 -1.137) 1.200 30.192 ( -3.037 -0.252 -0.097) 3.049 30.266 ( 0.859 2.390 1.182) 2.801 30.308 ( 1.436 2.481 -1.240) 3.123 31.155 ( -4.328 0.764 0.891) 4.485 31.229 ( 1.879 0.799 -4.396) 4.847 31.259 ( 0.926 -0.516 2.594) 2.802 31.414 ( -0.674 1.362 -1.922) 2.451 31.740 ( -7.243 -0.332 5.424) 9.055 31.848 ( -0.964 -2.757 4.063) 5.004 31.943 ( 4.464 2.200 -5.296) 7.267 32.168 ( 4.062 -5.749 -7.065) 9.973 32.745 ( -5.130 2.213 8.178) 9.904 32.802 ( -7.764 2.194 9.186) 12.227 32.907 ( 6.231 5.033 -9.017) 12.061 33.018 ( 5.143 2.057 -13.270) 14.380 33.529 ( -1.219 2.310 7.780) 8.206 33.850 ( 5.829 -3.154 -7.715) 10.171 33.972 ( 2.640 -2.266 -4.027) 5.322 34.002 ( -7.178 -2.272 8.846) 11.617 35.639 ( -1.623 0.430 3.207) 3.621 35.667 ( -1.030 -1.318 1.131) 2.019 35.700 ( -1.312 0.130 0.138) 1.326 35.768 ( 2.994 -0.252 -5.848) 6.575 35.891 ( -1.420 2.785 1.923) 3.670 35.976 ( 0.846 4.657 -2.681) 5.440 36.121 ( 2.901 1.340 -1.481) 3.522 36.180 ( -1.899 2.930 2.455) 4.268 36.328 ( 2.610 -1.847 -0.633) 3.259 36.439 ( 5.546 -0.730 -1.018) 5.686 36.571 ( -1.194 -2.476 2.938) 4.023 36.624 ( -2.782 -0.251 -2.463) 3.724 37.604 ( 6.992 -9.139 5.454) 12.734 37.910 ( 0.056 -10.283 13.025) 16.595 38.207 ( -4.208 9.460 -4.722) 11.380 38.496 ( -2.972 5.739 1.449) 6.623 ======================= Grid point 100 (50/64) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 5.135 5.794 1.988) 7.993 1.188 ( -6.871 3.834 -3.681) 8.687 1.269 ( 4.851 0.991 6.385) 8.080 1.380 ( -1.087 -1.542 -1.389) 2.343 1.420 ( -5.287 0.442 -1.624) 5.549 1.439 ( 0.266 0.343 -3.113) 3.143 1.589 ( -4.842 2.326 2.532) 5.938 1.632 ( -0.249 2.950 -1.154) 3.178 1.703 ( -3.277 -1.594 3.218) 4.862 1.775 ( 4.942 -4.734 -4.060) 7.958 1.882 ( -6.920 1.652 11.268) 13.326 2.015 ( -1.587 -1.890 -4.544) 5.170 2.063 ( -4.358 -0.283 6.343) 7.701 2.188 ( 1.523 -2.607 -3.662) 4.746 2.258 ( 3.068 -5.570 3.777) 7.397 2.371 ( 2.490 -3.034 -0.934) 4.035 2.450 ( 2.436 -0.448 7.992) 8.367 2.510 ( 2.580 1.658 4.812) 5.706 2.582 ( 0.221 0.023 9.710) 9.713 2.619 ( 4.038 7.499 0.827) 8.557 2.718 ( 3.245 -1.797 -10.151) 10.807 2.785 ( -2.543 4.272 1.244) 5.124 2.891 ( -8.110 4.537 -2.801) 9.706 3.037 ( 1.625 9.411 12.858) 16.017 3.085 ( 8.886 3.012 -7.517) 12.023 3.207 ( 3.109 0.085 -4.264) 5.278 3.281 ( 0.473 -2.302 2.832) 3.680 3.490 ( -1.289 5.195 -15.185) 16.101 3.505 ( -1.123 1.380 3.369) 3.810 3.542 ( -3.310 0.862 2.244) 4.091 3.614 ( 1.988 0.245 -0.725) 2.130 3.647 ( 0.035 0.699 -5.296) 5.342 3.796 ( -3.213 0.770 7.013) 7.753 3.857 ( -3.422 -1.272 3.372) 4.970 3.891 ( 3.772 2.622 2.410) 5.187 4.021 ( -2.500 6.582 -5.181) 8.742 4.141 ( 4.677 2.306 -3.026) 6.029 4.207 ( -0.079 3.481 -8.456) 9.145 4.388 ( 5.950 -1.842 5.839) 8.538 4.429 ( -4.479 -3.380 5.178) 7.635 4.574 ( 0.900 3.236 5.013) 6.034 4.647 ( 0.011 4.114 -2.094) 4.617 4.753 ( 0.050 -0.326 1.396) 1.435 4.804 ( 0.959 0.165 -1.772) 2.021 4.839 ( 0.153 -2.094 -2.864) 3.551 4.871 ( -0.793 -4.121 -3.235) 5.299 5.003 ( -2.656 -4.566 1.707) 5.551 5.050 ( 2.711 -3.863 -3.219) 5.713 5.124 ( -0.705 -1.491 3.685) 4.037 5.155 ( -0.608 -3.247 1.639) 3.687 5.314 ( 2.379 -5.224 3.557) 6.753 5.396 ( -0.022 -1.060 -0.709) 1.276 5.462 ( -0.644 -3.671 -0.587) 3.773 5.534 ( 0.623 -3.042 -4.787) 5.706 5.640 ( -9.385 -3.088 5.722) 11.417 5.701 ( -5.405 -3.611 3.866) 7.563 5.778 ( 4.089 -3.813 -1.160) 5.710 5.806 ( 2.205 -3.241 -1.035) 4.055 5.865 ( 7.235 1.987 -1.618) 7.676 5.924 ( -2.132 4.988 -3.816) 6.633 5.961 ( -0.712 4.152 2.798) 5.057 6.025 ( 2.319 3.144 -3.326) 5.131 6.255 ( 0.332 -1.244 1.282) 1.817 6.287 ( -1.029 -2.721 -2.071) 3.571 6.459 ( 0.437 4.391 4.579) 6.359 6.522 ( 1.152 3.437 2.272) 4.278 6.612 ( 1.488 -1.619 0.701) 2.308 6.688 ( -3.968 3.523 -2.063) 5.693 6.783 ( -0.566 2.327 4.973) 5.520 6.930 ( 0.224 3.099 -6.847) 7.519 7.228 ( 0.195 -2.270 1.038) 2.503 7.265 ( 0.482 -1.554 -3.052) 3.458 7.425 ( 1.731 2.851 1.868) 3.823 7.490 ( 1.004 2.884 -4.460) 5.405 7.615 ( -2.995 -1.047 3.257) 4.547 7.638 ( -0.243 -0.559 1.815) 1.914 7.832 ( 0.001 2.025 6.077) 6.405 7.983 ( 0.170 -1.981 -7.507) 7.766 8.130 ( 0.740 -4.033 2.408) 4.754 8.163 ( 0.596 -4.383 -1.023) 4.541 8.460 ( 0.543 4.249 0.406) 4.303 8.471 ( -1.080 3.244 -0.989) 3.559 8.610 ( 2.001 0.028 1.904) 2.762 8.638 ( -1.508 0.573 -0.351) 1.651 8.709 ( -0.073 -0.372 0.728) 0.821 8.752 ( 1.128 1.209 -3.032) 3.453 8.798 ( -1.192 -0.208 0.638) 1.368 8.815 ( 0.777 -0.530 -0.992) 1.367 9.131 ( 0.691 3.348 1.269) 3.647 9.151 ( 0.051 3.688 -0.798) 3.774 9.265 ( 1.028 -0.419 0.291) 1.148 9.288 ( -1.920 -0.353 -1.795) 2.652 9.646 ( 0.819 -2.720 4.516) 5.335 9.725 ( -0.067 -3.977 -3.490) 5.291 9.847 ( -1.358 -0.597 -0.759) 1.666 9.853 ( 1.006 -0.512 -1.746) 2.079 10.326 ( -4.183 2.247 5.466) 7.241 10.419 ( 3.089 1.450 -3.740) 5.062 10.555 ( -1.364 -0.304 3.149) 3.445 10.604 ( 1.868 -0.640 -1.894) 2.736 11.222 ( -0.151 -0.886 0.848) 1.236 11.247 ( 1.682 -1.186 -1.428) 2.505 11.267 ( -2.083 -1.483 2.067) 3.288 11.311 ( 1.474 -2.297 -2.424) 3.650 11.475 ( 1.067 -1.781 0.911) 2.267 11.497 ( -1.937 -0.845 -0.981) 2.330 11.610 ( -0.543 -0.743 2.052) 2.249 11.643 ( 0.872 -0.839 -1.520) 1.943 11.827 ( -1.703 2.978 3.024) 4.573 11.901 ( 1.108 2.270 -4.421) 5.092 12.005 ( -1.779 0.542 3.931) 4.348 12.079 ( 1.686 -0.502 -2.985) 3.465 12.400 ( 0.037 0.709 4.485) 4.541 12.485 ( 2.303 0.015 -0.898) 2.472 12.507 ( -1.800 -1.359 -3.398) 4.079 12.520 ( -2.353 -0.481 -2.909) 3.773 13.148 ( -2.344 -1.208 3.148) 4.107 13.168 ( -1.452 0.183 0.038) 1.464 13.262 ( -1.860 -0.570 6.821) 7.093 13.328 ( -0.394 -0.611 0.889) 1.149 13.384 ( 0.363 1.149 0.631) 1.360 13.526 ( 3.787 1.950 -8.649) 9.641 13.652 ( -1.832 -4.589 8.106) 9.494 13.862 ( 2.816 -7.117 -12.204) 14.405 14.139 ( -3.548 -0.451 3.499) 5.003 14.205 ( 2.331 -1.158 -2.614) 3.688 14.349 ( -3.212 -1.902 4.394) 5.766 14.435 ( 4.505 -1.694 -3.524) 5.965 14.544 ( 0.963 1.430 3.060) 3.512 14.567 ( -1.847 1.546 2.125) 3.212 14.739 ( -4.290 0.285 3.246) 5.388 14.854 ( 4.443 1.227 -6.104) 7.649 15.049 ( -9.771 2.653 5.003) 11.293 15.178 ( 9.060 0.517 -7.844) 11.995 15.288 ( 0.653 -0.313 3.460) 3.535 15.335 ( -1.015 1.451 2.286) 2.891 15.377 ( 2.890 0.543 -2.520) 3.873 15.413 ( -2.842 2.501 -4.115) 5.592 15.660 ( 3.162 -2.540 3.766) 5.535 15.743 ( -2.347 -1.127 -3.721) 4.541 15.950 ( -3.346 0.330 5.082) 6.093 16.052 ( 3.045 3.098 -5.407) 6.935 16.173 ( -5.409 -4.762 6.057) 9.414 16.261 ( 4.367 -2.829 -3.628) 6.343 16.605 ( -5.056 0.097 7.194) 8.794 16.680 ( -0.238 -1.028 5.323) 5.427 16.770 ( 6.367 1.420 -6.344) 9.100 16.826 ( 0.468 0.343 -6.385) 6.412 17.440 ( -0.345 0.723 0.812) 1.141 17.463 ( 0.259 0.405 -1.468) 1.544 17.531 ( -1.355 -0.753 0.739) 1.717 17.540 ( 0.913 -0.730 -0.217) 1.189 20.482 ( -1.603 1.604 1.447) 2.690 20.516 ( 2.035 0.637 -1.878) 2.842 20.680 ( 0.714 3.798 2.848) 4.801 20.731 ( -0.882 1.723 -1.734) 2.598 20.779 ( -1.474 0.320 -0.685) 1.657 20.789 ( 2.404 -0.043 -2.498) 3.467 20.998 ( -3.934 0.951 5.437) 6.778 21.076 ( 3.560 0.125 -2.551) 4.382 21.393 ( -1.424 -1.077 4.358) 4.710 21.398 ( -4.165 -2.436 5.418) 7.255 21.458 ( 1.711 -0.716 -3.252) 3.744 21.504 ( 4.407 -1.846 -4.751) 6.738 22.929 ( -3.122 2.833 8.449) 9.442 23.088 ( 2.536 0.134 -7.742) 8.148 23.190 ( -2.575 -0.241 3.077) 4.019 23.256 ( 3.124 -1.243 -3.668) 4.976 25.066 ( -11.658 0.031 15.168) 19.130 25.264 ( -5.097 -5.979 25.401) 26.589 25.391 ( 14.670 0.908 -17.459) 22.822 25.789 ( 1.899 -9.523 -25.712) 27.484 27.150 ( -8.664 4.240 24.401) 26.238 27.259 ( -10.642 0.284 14.898) 18.311 27.564 ( 10.462 4.669 -14.952) 18.837 27.644 ( 5.893 1.478 -23.576) 24.347 29.125 ( -0.309 1.344 3.417) 3.684 29.230 ( 3.231 4.092 -6.374) 8.235 29.549 ( -4.261 -4.783 2.245) 6.788 29.603 ( 1.823 -2.886 -2.745) 4.380 30.142 ( -2.269 0.480 0.996) 2.524 30.167 ( 1.530 0.007 -1.380) 2.060 30.286 ( -0.527 2.672 1.241) 2.993 30.316 ( 1.166 2.062 -1.492) 2.799 31.122 ( -2.434 2.180 3.372) 4.695 31.206 ( 1.848 0.819 -4.975) 5.370 31.304 ( 0.400 0.094 3.066) 3.093 31.373 ( 0.647 0.001 -4.044) 4.095 31.714 ( -5.260 0.717 7.747) 9.391 31.858 ( 2.236 -2.012 -3.898) 4.924 31.983 ( 0.983 -0.042 3.616) 3.747 32.133 ( 2.076 -4.289 -8.563) 9.800 32.745 ( -5.843 2.053 8.771) 10.737 32.768 ( -8.697 2.862 9.756) 13.380 32.914 ( 6.163 3.687 -8.809) 11.366 32.979 ( 7.694 2.722 -12.617) 15.027 33.605 ( -1.575 1.465 9.571) 9.810 33.783 ( 0.188 -1.004 -9.164) 9.220 33.951 ( -9.140 -2.176 7.628) 12.103 34.060 ( 9.363 -3.201 -3.947) 10.653 35.646 ( -3.188 0.003 5.038) 5.962 35.667 ( -0.561 -0.869 0.886) 1.362 35.685 ( 0.815 1.086 -1.143) 1.775 35.755 ( 3.538 0.355 -6.040) 7.009 35.900 ( -0.297 2.049 2.390) 3.162 35.952 ( 0.441 3.071 -3.098) 4.385 36.157 ( -0.330 1.261 0.814) 1.537 36.169 ( 0.283 1.938 -0.148) 1.964 36.365 ( 0.540 0.154 2.948) 3.001 36.450 ( -1.147 1.413 -5.045) 5.364 36.568 ( -0.900 -2.425 2.199) 3.395 36.601 ( 1.897 -1.522 -1.177) 2.702 37.800 ( 4.662 -10.341 7.992) 13.876 37.910 ( -5.121 -11.334 -1.660) 12.547 38.234 ( 4.525 8.477 9.321) 13.387 38.405 ( -4.164 4.741 -6.086) 8.766 ======================= Grid point 101 (51/64) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -19.858 9.645 -1.132) 22.105 1.095 ( -14.371 1.655 11.787) 18.660 1.305 ( 1.603 2.418 -2.815) 4.042 1.364 ( -0.857 1.881 1.813) 2.749 1.401 ( -0.565 -1.143 -0.559) 1.392 1.501 ( 0.760 1.348 -1.383) 2.075 1.618 ( 0.312 0.856 1.272) 1.565 1.649 ( 3.194 2.362 3.400) 5.229 1.737 ( 6.841 2.719 1.235) 7.464 1.835 ( 3.315 -0.502 0.087) 3.353 1.922 ( -3.693 2.255 6.552) 7.852 2.014 ( 2.058 -5.373 0.918) 5.827 2.068 ( -0.163 -1.506 5.875) 6.067 2.161 ( -2.642 1.105 2.719) 3.949 2.316 ( -0.494 -1.380 1.261) 1.934 2.402 ( 6.872 -4.864 -11.115) 13.944 2.497 ( -1.638 1.171 -4.465) 4.898 2.539 ( 2.816 -2.073 -6.899) 7.734 2.607 ( 0.142 -1.355 -0.040) 1.363 2.652 ( 2.467 7.310 -3.308) 8.394 2.717 ( 2.653 -0.209 -3.872) 4.698 2.751 ( 2.730 5.935 1.727) 6.757 2.836 ( -5.917 3.618 7.038) 9.881 3.013 ( 0.866 0.135 -8.775) 8.819 3.106 ( -2.403 4.503 -2.305) 5.600 3.225 ( 4.412 -0.475 -4.975) 6.666 3.344 ( 1.417 2.179 -8.344) 8.739 3.401 ( 1.037 -1.220 7.932) 8.092 3.510 ( -4.181 -0.073 3.788) 5.642 3.604 ( 2.719 1.952 -3.365) 4.746 3.618 ( 8.128 3.675 3.416) 9.552 3.685 ( 3.759 1.420 0.967) 4.134 3.833 ( -1.213 -1.144 4.856) 5.134 3.852 ( 0.701 0.412 3.802) 3.888 3.942 ( 3.915 4.956 -5.748) 8.540 4.049 ( 6.233 1.878 5.445) 8.487 4.123 ( 0.518 3.493 -1.911) 4.015 4.215 ( 5.341 4.586 -4.377) 8.289 4.332 ( -3.791 -5.370 -0.967) 6.644 4.561 ( 4.367 3.120 -3.725) 6.533 4.634 ( 2.921 3.923 -6.004) 7.744 4.648 ( 3.819 1.363 5.040) 6.469 4.755 ( -1.938 0.286 -2.590) 3.247 4.778 ( -0.918 -0.743 2.501) 2.765 4.817 ( 0.143 -5.180 0.888) 5.258 4.898 ( 4.101 -3.498 0.098) 5.391 4.964 ( -3.687 -3.519 1.210) 5.238 5.067 ( 2.266 -2.602 -1.577) 3.793 5.111 ( -3.689 -1.730 -0.225) 4.081 5.137 ( -1.894 -4.918 0.666) 5.312 5.355 ( 1.783 -1.820 -4.399) 5.084 5.400 ( 1.196 -2.631 -0.545) 2.941 5.449 ( -3.709 -3.279 5.916) 7.715 5.466 ( -4.735 -1.372 -0.116) 4.931 5.544 ( -7.504 -3.313 2.925) 8.709 5.596 ( -10.488 -1.628 3.847) 11.289 5.759 ( -6.180 1.963 2.551) 6.968 5.810 ( -0.664 0.309 -0.672) 0.994 5.876 ( 1.989 -0.083 -4.423) 4.851 5.930 ( -0.979 -2.121 -1.591) 2.826 5.988 ( 6.768 -0.303 -1.135) 6.870 6.078 ( 5.519 4.266 -0.689) 7.010 6.286 ( 2.218 -0.908 0.956) 2.581 6.306 ( 2.771 -1.393 -0.740) 3.189 6.461 ( -3.186 3.552 -1.139) 4.906 6.554 ( 3.048 1.960 -5.384) 6.490 6.581 ( -1.298 1.170 2.278) 2.870 6.680 ( -1.439 -0.865 6.723) 6.929 6.846 ( -1.209 1.961 -7.207) 7.567 6.889 ( 3.996 3.956 5.710) 8.014 7.180 ( -3.865 -2.228 0.044) 4.462 7.278 ( 0.993 -2.049 0.271) 2.293 7.421 ( -0.783 3.438 -5.186) 6.271 7.482 ( 1.519 1.626 0.353) 2.254 7.579 ( -5.151 -0.566 3.722) 6.380 7.653 ( 0.304 -0.170 0.681) 0.765 7.901 ( -0.093 0.314 0.504) 0.602 7.932 ( 2.339 1.179 -0.984) 2.798 8.114 ( -1.240 -4.023 -1.437) 4.449 8.196 ( 2.346 -3.679 -0.676) 4.416 8.440 ( -1.070 3.494 -0.243) 3.662 8.466 ( -0.795 3.959 0.746) 4.106 8.601 ( -0.624 -0.143 -1.158) 1.323 8.665 ( -0.374 0.007 0.658) 0.757 8.692 ( -2.009 0.759 -0.125) 2.151 8.717 ( -1.738 0.844 -0.791) 2.088 8.758 ( -1.072 -2.262 0.048) 2.504 8.836 ( 0.100 -0.095 -0.109) 0.176 9.136 ( -0.011 3.281 -1.180) 3.486 9.153 ( 0.418 3.663 -0.333) 3.702 9.255 ( 0.058 -1.044 0.756) 1.290 9.307 ( 1.754 0.446 1.281) 2.217 9.641 ( -3.255 -2.363 -0.774) 4.096 9.691 ( -1.562 -1.784 -2.060) 3.141 9.809 ( 0.265 -2.304 2.700) 3.560 9.932 ( 5.453 -1.092 -0.211) 5.565 10.305 ( -4.605 2.776 4.558) 7.049 10.418 ( 1.656 1.894 -3.588) 4.382 10.567 ( -0.612 -0.817 2.784) 2.965 10.647 ( 5.510 0.021 -3.403) 6.476 11.215 ( -0.243 -1.184 -0.826) 1.464 11.243 ( -1.114 -1.042 0.714) 1.684 11.280 ( 1.002 -1.775 0.305) 2.061 11.315 ( 1.607 -1.906 -1.908) 3.139 11.450 ( -2.001 -2.051 -0.057) 2.866 11.507 ( 0.406 -1.016 1.815) 2.119 11.607 ( -1.937 0.221 0.962) 2.174 11.625 ( -0.859 -1.247 -1.430) 2.083 11.850 ( -0.415 2.576 4.223) 4.963 11.898 ( 3.360 1.639 -2.912) 4.738 12.009 ( -2.963 0.485 3.796) 4.840 12.061 ( 0.871 -0.351 -4.209) 4.312 12.417 ( -3.471 -0.034 2.118) 4.066 12.443 ( -0.082 0.661 -4.551) 4.599 12.504 ( 1.618 -0.010 3.615) 3.961 12.535 ( 1.716 -1.374 2.595) 3.401 13.111 ( -4.679 0.249 3.261) 5.709 13.166 ( -1.617 0.115 2.090) 2.645 13.273 ( -1.016 -2.583 1.399) 3.108 13.353 ( 1.506 0.403 -3.238) 3.594 13.429 ( 1.194 -1.576 7.412) 7.672 13.524 ( 7.063 1.989 -8.004) 10.858 13.680 ( -5.282 -8.191 5.612) 11.247 13.806 ( 4.992 -3.618 -7.429) 9.654 14.137 ( -2.172 -0.345 4.838) 5.314 14.225 ( 3.216 -1.505 -2.242) 4.199 14.330 ( -3.525 -1.765 2.413) 4.622 14.450 ( 1.078 1.766 -5.285) 5.675 14.464 ( -5.113 -1.688 1.095) 5.495 14.625 ( 1.245 -1.474 0.076) 1.931 14.715 ( -2.896 1.536 4.153) 5.291 14.904 ( 6.243 0.951 -5.109) 8.123 14.982 ( -6.154 2.824 7.689) 10.245 15.255 ( 8.545 2.510 -5.645) 10.544 15.283 ( -2.043 -1.370 0.046) 2.460 15.326 ( -0.875 -0.058 -1.698) 1.911 15.381 ( 2.535 1.498 -0.085) 2.945 15.452 ( 5.832 5.289 2.993) 8.422 15.631 ( -4.452 -1.443 -3.501) 5.844 15.757 ( 2.748 -2.412 1.957) 4.147 15.942 ( -3.669 1.237 5.244) 6.519 16.060 ( 3.991 1.682 -4.446) 6.206 16.142 ( -5.416 -3.541 4.994) 8.174 16.305 ( 5.324 -3.962 -3.412) 7.462 16.593 ( -5.739 0.774 6.674) 8.836 16.725 ( 1.721 -1.480 0.491) 2.322 16.757 ( 0.452 0.671 -5.918) 5.973 16.802 ( 3.284 1.000 -3.704) 5.050 17.446 ( -0.317 0.743 1.524) 1.724 17.454 ( 0.370 0.486 -1.176) 1.325 17.511 ( -1.834 -0.667 0.628) 2.050 17.556 ( 0.978 -0.982 0.019) 1.386 20.467 ( -1.500 1.561 1.019) 2.392 20.534 ( 2.285 0.903 -1.589) 2.927 20.676 ( -2.358 3.287 -2.468) 4.739 20.710 ( -1.244 1.291 2.703) 3.244 20.765 ( 0.841 -0.252 -0.843) 1.217 20.817 ( 2.461 1.208 -0.282) 2.756 20.980 ( -4.431 0.837 4.073) 6.077 21.093 ( 2.515 0.494 -3.851) 4.626 21.386 ( -4.212 -3.312 4.967) 7.306 21.395 ( -2.892 -1.417 2.276) 3.943 21.449 ( 1.007 -0.079 -2.786) 2.963 21.514 ( 4.118 -1.960 -5.866) 7.430 22.971 ( -2.689 1.752 7.351) 8.021 23.054 ( 3.250 1.269 -6.462) 7.343 23.173 ( -3.170 -0.300 2.839) 4.266 23.258 ( 1.951 -0.782 -3.688) 4.245 25.044 ( -10.475 0.481 14.213) 17.662 25.427 ( 12.367 -3.524 -10.300) 16.476 25.475 ( -1.132 -10.569 1.875) 10.793 25.632 ( 7.818 -7.714 -5.433) 12.254 27.247 ( -12.084 0.276 16.932) 20.804 27.320 ( -0.020 9.407 19.473) 21.626 27.493 ( 7.399 1.968 -22.414) 23.686 27.615 ( 11.718 5.494 -9.345) 15.963 29.082 ( -7.144 4.342 -0.318) 8.366 29.215 ( 2.271 2.401 -3.515) 4.825 29.428 ( -9.112 -0.751 4.271) 10.091 29.682 ( 4.560 -6.322 0.598) 7.817 30.128 ( -1.134 0.825 1.842) 2.315 30.197 ( 3.105 -0.123 -0.423) 3.136 30.270 ( -2.203 2.191 0.725) 3.191 30.313 ( 0.268 1.820 -1.565) 2.415 31.140 ( -1.291 2.810 4.427) 5.400 31.200 ( 3.579 0.615 -3.556) 5.083 31.317 ( -0.534 -0.995 -0.881) 1.433 31.378 ( 3.284 0.886 -0.596) 3.453 31.722 ( -4.881 0.612 8.809) 10.090 31.853 ( 3.434 -1.627 -4.707) 6.049 32.030 ( -1.644 -2.241 5.327) 6.008 32.061 ( 1.436 -2.338 -9.036) 9.443 32.725 ( -7.857 3.146 8.973) 12.335 32.767 ( -5.638 1.793 11.621) 13.040 32.920 ( 6.460 3.712 -8.730) 11.477 32.993 ( 8.509 2.867 -10.136) 13.541 33.655 ( -3.514 -0.947 3.783) 5.249 33.697 ( -1.799 0.730 -1.628) 2.534 33.883 ( -6.472 -0.884 5.129) 8.305 34.153 ( 8.148 -3.630 -6.022) 10.762 35.649 ( -2.061 0.254 3.438) 4.016 35.661 ( -1.026 -0.338 1.390) 1.761 35.697 ( 0.889 0.216 -0.647) 1.121 35.762 ( 4.874 -0.216 -5.168) 7.107 35.927 ( 0.258 2.745 2.261) 3.566 35.934 ( 1.227 2.809 -2.431) 3.912 36.109 ( -4.039 0.135 -0.219) 4.048 36.197 ( 1.390 1.608 0.400) 2.163 36.361 ( -2.823 1.034 -3.374) 4.520 36.387 ( -3.485 0.754 3.841) 5.241 36.583 ( 0.599 -0.681 1.508) 1.760 36.626 ( 3.172 -2.979 -2.407) 4.973 37.684 ( -11.369 -11.505 -2.548) 16.374 38.033 ( 8.754 -9.342 2.825) 13.110 38.242 ( -3.186 7.200 -9.626) 12.436 38.451 ( 7.018 4.561 7.008) 10.917 ======================= Grid point 102 (52/64) ======================= q-point: (-0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -1.765 13.023 13.645) 18.945 1.040 ( -12.327 2.214 20.647) 24.149 1.295 ( -0.116 2.972 -4.154) 5.109 1.341 ( -2.071 2.357 -2.206) 3.835 1.392 ( -1.330 -0.045 2.466) 2.802 1.489 ( 0.577 2.623 -3.534) 4.439 1.586 ( -2.409 4.248 3.507) 6.012 1.722 ( 2.219 0.775 1.382) 2.727 1.790 ( -5.052 -0.700 0.277) 5.108 1.907 ( -1.950 3.260 3.046) 4.870 1.921 ( 6.595 1.085 1.386) 6.826 2.055 ( 0.035 -1.850 2.568) 3.166 2.078 ( -6.698 6.838 3.829) 10.310 2.197 ( 2.163 -1.290 1.552) 2.958 2.241 ( 3.869 -3.377 -15.165) 16.011 2.315 ( -3.883 7.723 -0.667) 8.670 2.440 ( 0.709 0.831 -6.398) 6.491 2.549 ( -1.430 2.730 -9.659) 10.139 2.609 ( 8.155 -2.968 -6.032) 10.569 2.626 ( 3.340 1.339 -7.649) 8.454 2.722 ( -0.379 -0.163 -3.932) 3.953 2.790 ( -1.134 -2.791 5.764) 6.504 2.818 ( -5.952 -1.600 -1.665) 6.384 2.944 ( 8.783 4.342 -6.820) 11.938 3.090 ( 4.146 4.654 1.657) 6.449 3.291 ( 1.079 -1.914 1.607) 2.722 3.323 ( 2.672 2.860 0.174) 3.917 3.393 ( -4.632 -4.308 2.069) 6.655 3.498 ( 0.239 -0.497 -4.774) 4.806 3.593 ( 0.468 2.215 2.622) 3.464 3.700 ( 0.553 6.645 -6.576) 9.365 3.741 ( -0.179 2.434 -3.265) 4.077 3.838 ( 1.438 1.631 7.447) 7.758 4.019 ( 4.945 -5.238 9.852) 12.204 4.063 ( 8.350 0.364 -0.934) 8.410 4.125 ( 5.603 5.861 1.003) 8.171 4.176 ( 5.588 -0.008 -5.891) 8.120 4.236 ( 1.687 0.269 2.394) 2.941 4.352 ( 2.612 -1.306 3.463) 4.530 4.541 ( 4.749 1.992 -8.845) 10.236 4.574 ( 0.349 4.755 -6.435) 8.009 4.681 ( -6.173 -1.806 1.526) 6.610 4.773 ( -0.380 3.024 0.072) 3.049 4.777 ( 1.656 -1.656 1.436) 2.747 4.820 ( -5.007 -3.921 2.035) 6.678 4.900 ( -6.425 -3.161 -0.150) 7.162 4.937 ( 3.789 -7.780 -2.028) 8.888 5.066 ( 1.387 -2.736 -0.529) 3.113 5.078 ( 0.794 -2.102 -0.039) 2.247 5.130 ( 0.614 -1.715 -0.345) 1.854 5.339 ( 0.821 1.035 -4.090) 4.298 5.343 ( -4.997 0.028 -3.682) 6.207 5.376 ( -3.414 0.162 2.465) 4.214 5.440 ( -2.091 -1.496 2.121) 3.333 5.505 ( -2.649 -1.838 4.114) 5.228 5.531 ( -5.090 -1.972 6.080) 8.171 5.726 ( -3.988 -0.761 4.281) 5.900 5.752 ( -3.381 -1.007 -1.922) 4.018 5.839 ( -0.953 1.816 2.733) 3.417 5.954 ( 5.815 -4.162 -4.383) 8.387 6.082 ( 5.382 -1.280 -2.352) 6.012 6.111 ( -0.063 0.553 -2.142) 2.213 6.329 ( -1.226 0.436 3.146) 3.404 6.341 ( 4.173 -0.430 -0.765) 4.264 6.399 ( -1.581 3.470 -1.046) 3.954 6.516 ( 2.499 0.535 -5.728) 6.273 6.641 ( -0.696 -2.818 1.740) 3.384 6.695 ( -4.527 1.270 5.108) 6.943 6.776 ( 0.268 5.533 0.463) 5.559 6.976 ( 2.951 -3.322 -1.137) 4.587 7.146 ( -1.781 2.068 2.689) 3.832 7.284 ( -0.519 -0.981 -3.061) 3.256 7.348 ( 0.280 3.035 -3.190) 4.412 7.469 ( -4.194 -0.994 0.636) 4.356 7.576 ( -0.289 -0.091 4.112) 4.123 7.662 ( 0.673 0.195 -0.876) 1.122 7.878 ( 2.766 0.566 -5.375) 6.071 7.947 ( -3.510 2.924 1.229) 4.731 8.106 ( 1.336 -1.111 0.855) 1.936 8.203 ( -0.174 -0.687 -1.012) 1.235 8.444 ( 1.845 3.132 0.077) 3.636 8.472 ( 1.408 1.794 0.629) 2.366 8.578 ( -3.600 0.040 -0.071) 3.601 8.614 ( -3.459 1.225 -0.800) 3.756 8.630 ( -1.626 2.262 0.594) 2.849 8.735 ( -0.712 -3.106 1.053) 3.356 8.750 ( 2.315 0.279 -1.803) 2.947 8.805 ( -3.773 -0.924 -0.002) 3.884 9.125 ( -0.433 3.104 -0.218) 3.141 9.145 ( 0.318 2.999 -1.443) 3.344 9.294 ( 1.802 -1.270 2.263) 3.159 9.339 ( 0.398 0.199 1.096) 1.183 9.579 ( -4.026 -0.199 0.364) 4.047 9.626 ( 0.214 0.358 -5.126) 5.143 9.879 ( 1.217 -5.028 5.848) 7.807 10.003 ( 3.220 -2.297 -0.381) 3.973 10.293 ( -1.953 3.238 3.763) 5.335 10.401 ( 1.399 3.216 -3.792) 5.165 10.588 ( -1.893 -1.029 4.063) 4.599 10.687 ( 5.042 -0.085 -5.322) 7.332 11.206 ( 0.591 -1.296 -1.326) 1.946 11.233 ( -1.870 -0.186 1.630) 2.487 11.278 ( 0.377 -0.323 -2.028) 2.088 11.318 ( 0.706 -1.508 -1.473) 2.223 11.445 ( 0.720 -3.884 1.077) 4.095 11.527 ( -0.573 -1.203 1.978) 2.385 11.564 ( -2.151 -0.126 -1.248) 2.490 11.605 ( -1.102 -0.131 0.072) 1.112 11.896 ( 0.091 1.285 4.432) 4.616 11.937 ( 3.756 0.583 -1.414) 4.055 11.990 ( -3.187 0.943 2.208) 3.990 12.029 ( 0.724 -0.055 -3.479) 3.554 12.380 ( -3.941 1.274 3.079) 5.161 12.411 ( 1.489 1.357 -3.457) 4.001 12.582 ( 1.677 -0.780 3.916) 4.331 12.593 ( 1.459 -1.967 2.861) 3.766 13.089 ( -3.377 0.642 5.310) 6.325 13.159 ( -2.199 1.029 2.864) 3.755 13.279 ( 0.561 -1.205 -0.469) 1.410 13.323 ( -0.128 1.217 -2.828) 3.081 13.509 ( 3.371 -4.315 -0.606) 5.509 13.554 ( 1.642 -0.678 -2.550) 3.108 13.633 ( -1.188 -4.842 -0.297) 4.995 13.801 ( 0.611 -3.717 -6.427) 7.450 14.173 ( -0.739 -1.468 5.762) 5.992 14.249 ( -0.191 -1.876 0.737) 2.025 14.297 ( -1.133 -1.564 -0.263) 1.949 14.371 ( -3.426 0.476 0.572) 3.506 14.438 ( 1.069 -2.152 -4.666) 5.248 14.569 ( -4.104 0.538 -4.559) 6.158 14.754 ( -0.438 -1.594 7.284) 7.469 14.905 ( 0.066 -2.286 -0.649) 2.377 14.991 ( -2.525 2.821 4.984) 6.259 15.217 ( 0.004 0.548 -5.942) 5.967 15.315 ( 1.746 0.404 -1.791) 2.534 15.339 ( 2.485 0.892 -0.606) 2.708 15.414 ( 4.055 -0.763 -3.017) 5.111 15.517 ( -4.882 -0.370 -0.996) 4.996 15.644 ( 9.024 9.433 1.019) 13.095 15.786 ( -0.213 0.014 -0.993) 1.016 16.000 ( 2.972 -3.365 7.619) 8.844 16.081 ( 2.962 0.419 -2.314) 3.782 16.113 ( -5.268 -3.635 6.707) 9.271 16.345 ( 4.960 -5.297 -5.868) 9.332 16.569 ( -5.886 2.385 7.203) 9.603 16.704 ( 2.456 1.394 -6.939) 7.491 16.767 ( 3.136 -1.522 -0.193) 3.491 16.808 ( 0.520 0.306 -0.593) 0.846 17.449 ( 0.450 0.198 -0.701) 0.856 17.465 ( 0.084 0.388 1.495) 1.547 17.491 ( -1.511 -0.295 1.809) 2.375 17.567 ( 0.383 -1.185 -0.258) 1.272 20.459 ( -0.452 1.393 0.540) 1.561 20.558 ( 0.504 0.089 -0.586) 0.778 20.618 ( 0.761 3.593 -1.934) 4.150 20.704 ( -3.119 -0.045 2.639) 4.086 20.788 ( 2.201 0.302 0.068) 2.222 20.846 ( 0.633 2.226 0.195) 2.322 20.951 ( -3.685 0.248 3.627) 5.176 21.076 ( 1.215 0.604 -4.597) 4.793 21.344 ( -4.999 -1.441 2.637) 5.833 21.380 ( -2.489 -2.833 2.464) 4.505 21.435 ( 0.936 0.292 -2.160) 2.372 21.516 ( 3.763 -1.664 -5.731) 7.055 22.995 ( -2.537 1.684 5.043) 5.891 23.056 ( 3.592 2.276 -3.996) 5.835 23.156 ( -2.584 -0.167 3.012) 3.972 23.244 ( 1.266 -0.159 -3.552) 3.774 25.032 ( -9.659 0.583 13.956) 16.982 25.386 ( 4.679 -3.615 -15.224) 16.332 25.526 ( 15.328 -4.586 -12.583) 20.355 25.707 ( -8.573 -20.718 5.967) 23.202 27.219 ( -13.344 -0.495 16.062) 20.888 27.309 ( -1.896 3.789 -7.886) 8.952 27.615 ( 16.328 9.895 -7.182) 20.398 27.724 ( 6.398 15.684 -1.244) 16.984 29.041 ( -0.110 -2.836 8.445) 8.909 29.208 ( -0.684 -1.213 -1.161) 1.813 29.435 ( 4.183 0.769 8.594) 9.589 29.735 ( 0.567 -7.702 0.990) 7.786 30.146 ( 0.138 1.196 2.870) 3.112 30.240 ( -0.461 -0.104 1.518) 1.590 30.258 ( 2.506 0.809 -0.445) 2.670 30.289 ( -0.837 1.445 -1.686) 2.373 31.156 ( -2.317 2.840 3.987) 5.416 31.244 ( 5.109 0.278 -1.820) 5.431 31.289 ( 0.543 -2.396 -3.982) 4.679 31.426 ( 1.555 1.282 -0.542) 2.087 31.744 ( -4.427 0.180 9.238) 10.246 31.896 ( 5.499 -3.391 0.302) 6.467 31.991 ( 2.405 -1.525 -8.531) 8.994 32.046 ( -2.349 -2.144 2.867) 4.282 32.704 ( -6.747 3.545 9.416) 12.114 32.811 ( -3.794 0.423 9.606) 10.336 32.942 ( 6.207 4.455 -6.789) 10.221 33.028 ( 8.568 2.914 -9.273) 12.957 33.592 ( 0.333 0.832 -4.779) 4.863 33.660 ( -8.502 -1.613 6.806) 11.009 33.884 ( -1.944 -0.027 7.459) 7.708 34.186 ( 5.252 -3.728 -8.261) 10.475 35.648 ( -0.137 -0.446 0.313) 0.562 35.676 ( -1.606 0.008 4.586) 4.859 35.691 ( -0.278 -0.037 -1.132) 1.166 35.787 ( 4.398 -1.900 -5.017) 6.937 35.930 ( 0.051 3.083 -0.997) 3.241 35.957 ( 1.610 4.650 -0.880) 4.999 36.047 ( -3.464 0.859 3.129) 4.746 36.227 ( 2.037 1.271 0.354) 2.427 36.285 ( -3.021 1.203 -2.442) 4.066 36.348 ( -4.006 -0.803 1.741) 4.441 36.601 ( -0.120 -3.047 0.783) 3.148 36.655 ( 2.072 -2.816 -1.589) 3.840 37.502 ( -8.071 -9.282 1.240) 12.362 37.978 ( -5.537 -4.560 -15.963) 17.501 38.250 ( 5.243 6.655 5.182) 9.931 38.551 ( 1.348 6.107 -2.317) 6.670 ======================= Grid point 103 (53/64) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -0.230 4.514 10.168) 11.128 1.192 ( 0.681 7.887 4.187) 8.955 1.294 ( -1.794 5.682 -4.102) 7.234 1.332 ( -0.511 1.445 -3.809) 4.106 1.448 ( 0.330 1.966 6.390) 6.693 1.561 ( 1.550 4.588 -1.159) 4.980 1.585 ( -3.986 2.673 -2.026) 5.210 1.711 ( 6.367 -6.156 -5.878) 10.629 1.764 ( -1.968 0.503 -2.014) 2.860 1.828 ( 2.059 -7.938 -11.082) 13.786 2.011 ( -2.384 5.379 5.677) 8.176 2.086 ( 5.815 4.563 -3.085) 8.009 2.165 ( -1.852 0.468 -0.109) 1.913 2.195 ( 0.880 0.326 0.722) 1.184 2.205 ( -0.058 -1.469 1.091) 1.831 2.263 ( -1.485 0.452 -5.904) 6.105 2.475 ( -5.729 -1.498 -0.178) 5.924 2.523 ( 1.674 -4.732 -1.389) 5.208 2.590 ( -3.185 7.665 -0.326) 8.307 2.680 ( 5.838 6.246 -4.792) 9.801 2.700 ( -0.991 6.915 5.407) 8.834 2.784 ( -1.392 9.600 -3.473) 10.304 2.868 ( 1.604 5.530 1.141) 5.870 2.992 ( 1.111 -2.870 -7.620) 8.218 3.220 ( -3.390 -4.800 5.311) 7.920 3.254 ( -3.538 -5.631 0.755) 6.693 3.320 ( 1.573 7.287 6.626) 9.974 3.435 ( 0.685 1.737 -5.356) 5.672 3.547 ( 4.666 5.902 5.380) 9.249 3.619 ( -3.483 1.637 1.809) 4.253 3.717 ( -0.176 3.847 -4.865) 6.204 3.766 ( 1.495 2.066 -5.825) 6.358 3.882 ( -4.351 -6.253 8.660) 11.533 3.969 ( -1.365 -5.200 0.102) 5.378 4.181 ( 0.938 1.705 3.617) 4.107 4.219 ( 0.904 -0.075 7.277) 7.333 4.239 ( 2.179 -2.367 1.479) 3.541 4.305 ( -1.775 1.789 0.008) 2.520 4.389 ( -1.998 -1.703 -5.580) 6.166 4.413 ( 0.078 -1.386 -5.687) 5.854 4.535 ( -2.666 -1.712 -2.184) 3.848 4.580 ( 2.112 -4.779 -4.541) 6.922 4.697 ( -5.410 -2.091 1.815) 6.077 4.751 ( 3.523 -4.139 -2.771) 6.101 4.826 ( 0.985 3.824 -0.388) 3.968 4.844 ( 0.858 0.111 0.164) 0.881 4.960 ( 2.723 6.501 2.918) 7.628 5.018 ( 0.560 -3.207 3.925) 5.099 5.047 ( -0.597 1.219 -4.617) 4.813 5.107 ( -1.017 2.408 -4.200) 4.947 5.275 ( -6.745 -4.035 3.112) 8.453 5.308 ( 2.907 -0.712 -2.480) 3.887 5.333 ( 1.771 -2.549 1.339) 3.381 5.411 ( 2.563 -2.276 -4.642) 5.770 5.494 ( -1.474 -0.411 4.744) 4.985 5.562 ( 1.500 -2.046 -2.042) 3.257 5.675 ( 4.178 2.243 5.309) 7.119 5.725 ( -4.459 1.115 0.494) 4.623 5.872 ( -1.400 -0.817 1.159) 1.993 5.923 ( 0.609 -1.448 -0.782) 1.754 6.009 ( -2.401 -4.043 -2.588) 5.367 6.055 ( 2.572 -4.280 -4.032) 6.418 6.315 ( 2.156 -1.469 0.052) 2.609 6.331 ( -0.271 -1.417 -0.860) 1.680 6.477 ( 3.195 2.443 -0.146) 4.025 6.508 ( -2.125 2.377 -3.356) 4.629 6.607 ( -0.594 -2.674 2.191) 3.507 6.643 ( 0.890 -3.980 -0.680) 4.135 6.891 ( -0.000 0.384 4.955) 4.970 6.915 ( 0.529 -1.506 2.240) 2.751 7.186 ( -3.715 0.848 2.957) 4.823 7.229 ( -0.349 -0.291 -1.090) 1.181 7.414 ( -0.587 4.191 1.834) 4.612 7.471 ( 1.007 6.026 -4.496) 7.585 7.575 ( -1.910 -2.737 4.234) 5.392 7.648 ( 1.502 -1.562 -3.626) 4.224 7.935 ( -1.386 4.524 1.409) 4.937 7.982 ( 1.831 5.975 -3.268) 7.052 8.123 ( -1.555 -2.835 3.990) 5.135 8.184 ( 1.841 -2.259 -2.310) 3.719 8.529 ( 1.776 1.198 0.610) 2.228 8.537 ( -1.271 1.050 -0.141) 1.655 8.552 ( 2.591 2.006 0.499) 3.315 8.568 ( -2.605 1.304 -0.965) 3.069 8.683 ( 0.617 0.424 1.744) 1.898 8.713 ( -1.540 -0.770 2.921) 3.390 8.727 ( 0.029 1.235 -2.571) 2.852 8.765 ( 1.902 -0.665 -2.370) 3.111 9.181 ( -0.276 2.865 0.437) 2.912 9.196 ( 0.510 2.467 -0.990) 2.707 9.317 ( 0.793 -0.771 1.303) 1.709 9.333 ( -0.791 -0.676 -0.481) 1.146 9.564 ( -2.543 3.003 2.211) 4.514 9.631 ( 2.595 2.156 -4.469) 5.600 9.850 ( 0.149 -4.626 4.146) 6.214 9.933 ( 1.273 -5.555 -4.126) 7.036 10.379 ( -2.297 4.109 4.294) 6.372 10.458 ( 1.409 3.368 -3.181) 4.843 10.561 ( -3.375 -1.391 3.797) 5.267 10.660 ( 2.798 -3.090 -5.747) 7.100 11.187 ( -0.347 -0.169 1.324) 1.379 11.215 ( 0.736 -1.249 -1.390) 2.009 11.283 ( -0.561 1.060 0.507) 1.302 11.300 ( 0.939 0.588 -1.045) 1.523 11.409 ( 0.771 -3.505 1.474) 3.879 11.435 ( -0.774 -4.015 -1.114) 4.238 11.574 ( 0.830 0.398 0.786) 1.210 11.580 ( -1.461 0.039 0.349) 1.503 11.955 ( -1.895 0.793 3.056) 3.682 11.959 ( -2.350 1.285 3.378) 4.311 12.009 ( 1.853 0.492 -2.607) 3.236 12.018 ( 2.768 0.527 -2.475) 3.751 12.411 ( -2.685 3.455 3.422) 5.555 12.454 ( 2.328 2.435 -1.183) 3.570 12.576 ( -0.460 -3.724 2.175) 4.337 12.588 ( 0.774 -2.866 0.806) 3.076 13.131 ( -1.644 1.262 5.653) 6.021 13.181 ( -1.844 0.110 3.535) 3.988 13.288 ( 0.020 1.276 1.546) 2.005 13.318 ( -0.100 1.137 -2.438) 2.692 13.411 ( -6.388 -2.603 8.855) 11.225 13.482 ( 0.608 -3.502 -0.251) 3.564 13.652 ( 5.926 0.631 -8.943) 10.747 13.713 ( 7.000 -2.235 -11.967) 14.043 14.190 ( -1.045 -0.010 3.568) 3.718 14.224 ( -2.426 -1.030 4.496) 5.212 14.263 ( -0.733 -0.527 -2.591) 2.744 14.292 ( 0.362 -2.104 -0.773) 2.270 14.434 ( -1.906 0.316 1.439) 2.409 14.474 ( -0.020 -1.093 -2.978) 3.173 14.777 ( -0.600 -1.314 2.922) 3.260 14.832 ( 1.096 -3.854 -1.914) 4.441 15.084 ( -1.214 4.304 5.288) 6.925 15.190 ( 1.982 1.152 -4.727) 5.253 15.285 ( 0.944 -2.893 -1.273) 3.299 15.322 ( -0.463 -1.732 -3.883) 4.278 15.447 ( -3.460 2.511 0.493) 4.304 15.468 ( 1.898 2.442 -1.895) 3.628 15.799 ( -1.726 2.183 2.066) 3.466 15.841 ( 2.420 1.542 -2.075) 3.541 16.008 ( -3.751 -3.965 8.602) 10.188 16.051 ( -5.457 -2.629 5.769) 8.365 16.120 ( 5.690 0.902 -4.598) 7.371 16.211 ( 4.350 -4.959 -8.607) 10.844 16.616 ( -5.036 2.722 6.933) 8.991 16.712 ( -5.199 -0.852 3.977) 6.601 16.749 ( 3.827 1.157 -4.555) 6.061 16.829 ( 6.617 -1.470 -5.587) 8.784 17.451 ( -0.266 0.001 0.428) 0.504 17.460 ( 0.050 -0.234 -0.486) 0.542 17.514 ( 0.195 0.010 1.830) 1.840 17.537 ( -0.146 -1.133 -0.565) 1.274 20.498 ( 0.363 1.340 1.234) 1.857 20.524 ( -1.048 0.115 -1.296) 1.670 20.671 ( -1.404 0.357 0.390) 1.500 20.684 ( 2.013 -0.142 -0.796) 2.169 20.861 ( 0.430 2.595 2.385) 3.550 20.895 ( -0.794 3.527 -0.968) 3.743 20.946 ( -1.389 -0.871 4.513) 4.801 21.025 ( -0.598 -1.982 -3.368) 3.953 21.302 ( -2.044 -0.288 3.118) 3.740 21.328 ( -0.087 -1.577 0.945) 1.840 21.437 ( 1.135 0.238 -1.712) 2.067 21.474 ( 2.262 -1.845 -4.699) 5.532 23.044 ( -3.223 2.841 4.457) 6.190 23.106 ( 1.020 0.185 0.575) 1.186 23.166 ( 0.821 1.126 -0.584) 1.511 23.220 ( 1.637 -0.895 -3.806) 4.239 25.047 ( -9.904 1.460 14.860) 17.917 25.195 ( -12.258 -6.924 13.950) 19.819 25.424 ( 8.665 0.675 -16.527) 18.673 25.580 ( 17.200 -6.966 -18.844) 26.447 27.196 ( -10.789 4.006 12.187) 16.762 27.295 ( -3.148 1.545 0.861) 3.611 27.908 ( 6.491 7.225 -2.548) 10.041 27.953 ( 3.795 4.855 -6.453) 8.923 29.046 ( -1.756 -1.430 5.322) 5.784 29.111 ( -1.093 -3.617 -1.333) 4.006 29.523 ( 3.396 -5.875 2.268) 7.155 29.567 ( 0.162 -7.238 -2.003) 7.512 30.209 ( -0.935 1.306 2.871) 3.290 30.231 ( -2.088 -0.019 1.536) 2.592 30.278 ( 0.409 0.582 -1.446) 1.612 30.298 ( 3.507 -0.425 -2.289) 4.209 31.207 ( -2.326 2.529 2.264) 4.115 31.253 ( 0.984 1.948 -2.429) 3.265 31.304 ( 2.559 -2.124 2.226) 4.002 31.373 ( -1.374 -1.729 -4.388) 4.912 31.774 ( -4.073 0.059 8.353) 9.293 31.841 ( -4.510 -4.652 5.805) 8.699 31.978 ( 5.052 1.126 -7.015) 8.718 32.023 ( 6.400 -1.508 -7.471) 9.952 32.784 ( -6.505 4.137 10.889) 13.342 32.858 ( -5.912 1.037 9.946) 11.617 33.013 ( 4.799 3.009 -8.098) 9.882 33.096 ( 7.819 0.017 -10.155) 12.817 33.561 ( -5.038 0.694 4.340) 6.686 33.619 ( 3.007 -1.238 -0.734) 3.334 33.934 ( -1.459 0.342 4.934) 5.156 34.063 ( 1.584 -5.069 -7.543) 9.225 35.644 ( -1.035 -0.203 1.657) 1.964 35.664 ( -2.834 -0.545 2.776) 4.004 35.694 ( 1.441 0.561 -1.743) 2.330 35.754 ( 3.293 -2.004 -4.748) 6.116 36.001 ( -2.477 5.552 1.931) 6.378 36.045 ( 2.631 6.008 -2.630) 7.067 36.155 ( 2.954 0.778 4.183) 5.180 36.206 ( -2.110 -1.876 -0.588) 2.884 36.285 ( -0.060 0.413 0.968) 1.054 36.305 ( -0.180 0.859 -0.950) 1.293 36.502 ( -2.990 -4.725 1.448) 5.776 36.531 ( 1.265 -6.060 -1.956) 6.493 37.502 ( 0.629 3.190 5.859) 6.701 37.660 ( -3.171 -3.843 -10.452) 11.578 38.510 ( 1.518 6.317 4.840) 8.102 38.589 ( -1.765 2.756 -3.002) 4.440 ======================= Grid point 104 (54/64) ======================= q-point: ( 0.17 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -5.228 6.818 -1.118) 8.664 1.269 ( 0.429 -1.822 -2.045) 2.773 1.292 ( 1.095 3.554 4.675) 5.974 1.310 ( 1.407 4.531 1.789) 5.071 1.494 ( -4.672 1.193 5.276) 7.148 1.546 ( 0.287 1.920 2.881) 3.474 1.578 ( 3.593 1.454 -7.282) 8.249 1.641 ( 1.052 -3.630 -7.106) 8.049 1.754 ( -0.346 0.137 3.154) 3.176 1.799 ( 0.855 -3.076 -0.997) 3.344 2.003 ( -3.422 5.096 0.940) 6.210 2.089 ( 1.139 5.246 -7.761) 9.437 2.172 ( -2.602 -0.098 -0.460) 2.644 2.178 ( -0.526 0.956 -0.150) 1.101 2.222 ( -0.437 -0.910 -2.112) 2.341 2.234 ( 2.307 -2.975 7.656) 8.531 2.366 ( -8.295 3.253 1.993) 9.130 2.451 ( -5.570 0.616 3.764) 6.751 2.613 ( 4.756 1.498 -0.046) 4.986 2.662 ( -3.925 5.317 0.826) 6.660 2.730 ( -1.446 8.608 -1.459) 8.850 2.838 ( 8.071 -2.337 1.315) 8.505 2.910 ( -0.504 2.777 -7.946) 8.432 2.951 ( 3.056 6.355 2.445) 7.463 3.186 ( -6.396 -4.554 7.337) 10.746 3.254 ( -2.933 2.095 3.369) 4.934 3.345 ( 0.403 5.871 -0.134) 5.886 3.405 ( 0.947 1.707 -4.435) 4.845 3.554 ( -0.304 2.310 -1.455) 2.747 3.661 ( -0.639 2.758 0.353) 2.853 3.692 ( 2.545 -0.324 -0.032) 2.566 3.772 ( 2.187 3.173 0.106) 3.855 3.863 ( -7.810 -11.256 5.437) 14.739 3.938 ( -2.738 -1.035 3.437) 4.514 4.096 ( -6.997 3.212 -1.075) 7.773 4.119 ( -9.781 3.012 -2.937) 10.647 4.234 ( -4.243 -3.732 -1.089) 5.755 4.304 ( -1.802 1.934 7.387) 7.845 4.363 ( 0.817 1.497 -6.582) 6.799 4.434 ( 1.775 -2.311 2.355) 3.746 4.510 ( 0.212 -1.909 1.216) 2.274 4.603 ( 3.255 -8.266 2.624) 9.263 4.675 ( -1.440 -0.444 3.797) 4.085 4.824 ( 1.983 -4.333 -1.444) 4.979 4.851 ( 4.683 1.607 -1.665) 5.224 4.881 ( 3.931 1.758 -1.374) 4.520 4.945 ( -3.459 1.413 -4.943) 6.196 5.028 ( 0.624 3.531 -3.987) 5.363 5.041 ( 0.541 1.860 2.903) 3.489 5.072 ( -0.859 0.880 3.267) 3.491 5.230 ( -1.944 -1.408 3.696) 4.407 5.316 ( -0.632 -0.712 0.065) 0.954 5.348 ( -1.579 -4.023 -0.985) 4.432 5.447 ( 9.589 -4.451 -4.765) 11.596 5.525 ( 2.958 -0.042 0.691) 3.038 5.618 ( 1.845 -4.172 1.841) 4.919 5.667 ( 2.333 0.808 -3.081) 3.948 5.739 ( -1.710 -0.661 3.085) 3.589 5.803 ( -7.904 -2.374 2.190) 8.538 5.927 ( 1.725 -1.908 -5.914) 6.449 5.968 ( -0.029 -1.715 3.396) 3.804 6.070 ( 2.012 -1.778 -1.013) 2.870 6.352 ( 3.713 0.464 -1.967) 4.228 6.385 ( 3.980 1.102 1.278) 4.323 6.415 ( -4.010 2.497 -1.801) 5.055 6.511 ( -1.168 4.099 0.111) 4.264 6.583 ( -0.337 -4.801 0.311) 4.822 6.707 ( 4.239 -4.663 -0.869) 6.362 6.902 ( -1.084 1.192 -0.984) 1.888 6.935 ( 1.743 -1.480 -1.336) 2.648 7.193 ( -1.152 2.085 5.762) 6.235 7.248 ( 2.334 0.213 0.838) 2.489 7.409 ( -0.223 4.709 -0.095) 4.715 7.482 ( 2.817 3.836 -0.445) 4.780 7.583 ( -1.892 -3.219 3.095) 4.849 7.624 ( -0.711 -0.388 -2.233) 2.375 7.896 ( -3.073 3.839 0.186) 4.921 8.004 ( 2.435 4.172 -0.817) 4.900 8.086 ( -5.164 -2.818 1.126) 5.990 8.185 ( 0.365 -2.405 -2.096) 3.211 8.519 ( -0.927 2.138 -0.667) 2.424 8.533 ( 0.950 3.946 -0.856) 4.148 8.573 ( 1.622 -0.666 -0.245) 1.771 8.618 ( 3.569 0.413 1.098) 3.757 8.698 ( 2.269 2.006 0.021) 3.028 8.714 ( -1.209 0.190 0.678) 1.399 8.740 ( 1.894 0.758 -0.340) 2.068 8.784 ( 3.811 -1.958 -2.110) 4.775 9.179 ( -0.226 2.331 0.092) 2.344 9.191 ( -0.106 2.652 -0.349) 2.677 9.301 ( -1.938 -0.397 -0.641) 2.079 9.334 ( -0.421 -1.323 0.684) 1.547 9.564 ( -1.013 3.277 3.075) 4.606 9.638 ( 3.320 1.405 -3.104) 4.758 9.873 ( -1.993 -5.524 1.529) 6.068 9.892 ( 0.087 -4.774 -3.890) 6.158 10.382 ( -3.173 3.706 4.507) 6.642 10.448 ( 1.666 3.422 -2.934) 4.805 10.545 ( -4.528 -1.481 5.399) 7.201 10.634 ( 0.745 -2.860 -4.158) 5.101 11.186 ( 0.074 0.277 -0.234) 0.370 11.235 ( 2.061 -1.590 -0.319) 2.623 11.273 ( -0.740 0.139 0.067) 0.756 11.294 ( -0.898 0.517 -0.900) 1.372 11.397 ( 0.029 -2.258 -0.483) 2.309 11.469 ( 2.573 -4.154 0.432) 4.905 11.564 ( -0.773 0.878 0.367) 1.225 11.601 ( 1.298 -0.501 0.517) 1.485 11.924 ( -3.663 2.323 2.214) 4.870 11.970 ( -0.951 -0.364 1.723) 2.002 12.007 ( 1.604 1.630 -2.306) 3.247 12.049 ( 3.272 0.048 -2.406) 4.062 12.401 ( -2.161 3.479 2.325) 4.709 12.477 ( 2.456 2.365 -2.232) 4.075 12.570 ( -1.669 -3.903 -0.073) 4.246 12.592 ( -0.137 -2.597 -1.035) 2.799 13.162 ( -1.552 0.684 3.715) 4.084 13.178 ( -1.141 0.706 1.114) 1.744 13.295 ( -0.813 1.677 0.322) 1.892 13.309 ( 0.307 0.869 0.956) 1.328 13.403 ( -3.439 0.343 4.679) 5.817 13.504 ( -0.215 -3.981 3.116) 5.060 13.610 ( 2.837 0.801 -8.833) 9.312 13.729 ( 8.208 -6.120 -10.695) 14.806 14.191 ( -2.943 0.063 2.561) 3.901 14.214 ( -1.550 -0.551 -0.663) 1.774 14.260 ( -0.920 -1.877 5.568) 5.947 14.318 ( 3.392 -1.879 -1.443) 4.138 14.410 ( -0.871 1.336 1.256) 2.030 14.509 ( 3.124 -1.881 2.072) 4.195 14.774 ( -1.734 -1.349 0.773) 2.329 14.843 ( 2.331 -3.471 -2.144) 4.699 15.113 ( -0.650 3.568 2.769) 4.563 15.197 ( 4.549 2.558 -3.753) 6.428 15.278 ( -0.491 -3.122 -1.065) 3.335 15.303 ( 0.133 -2.269 1.298) 2.618 15.376 ( -5.270 4.412 1.151) 6.969 15.490 ( 0.630 -0.371 0.912) 1.169 15.769 ( -4.164 3.114 0.404) 5.215 15.837 ( 0.344 1.737 -1.895) 2.594 15.981 ( -5.392 -1.434 2.999) 6.334 16.051 ( -5.983 -6.651 9.872) 13.322 16.148 ( 4.293 0.096 -6.696) 7.954 16.193 ( 4.508 -2.282 -7.098) 8.713 16.610 ( -4.360 1.645 6.544) 8.034 16.661 ( -7.105 -0.825 6.024) 9.352 16.762 ( 5.431 2.879 -7.067) 9.366 16.865 ( 4.981 -1.869 -5.756) 7.838 17.449 ( -0.194 0.392 0.197) 0.479 17.466 ( 0.620 -0.562 0.181) 0.856 17.521 ( -0.165 -0.312 -0.799) 0.873 17.534 ( 0.030 -0.753 0.552) 0.934 20.492 ( -0.272 1.673 -0.078) 1.697 20.541 ( 1.183 -0.271 0.911) 1.518 20.660 ( 0.475 2.375 0.545) 2.483 20.723 ( 3.103 -1.464 -1.116) 3.608 20.831 ( -2.690 2.872 -0.658) 3.990 20.896 ( -1.411 2.240 0.074) 2.649 20.970 ( -0.854 -0.700 3.631) 3.796 21.006 ( 0.676 -1.491 0.362) 1.677 21.313 ( -0.630 -0.064 2.796) 2.867 21.352 ( 0.828 -1.914 1.715) 2.700 21.439 ( 1.398 0.091 -1.707) 2.209 21.458 ( 1.992 -1.470 -4.541) 5.172 23.021 ( -4.580 4.498 3.796) 7.458 23.124 ( 1.093 -0.403 -0.923) 1.486 23.178 ( 0.515 0.224 0.511) 0.759 23.208 ( 2.144 -1.189 -3.795) 4.518 25.052 ( -9.790 0.832 15.984) 18.762 25.145 ( -12.902 -3.842 15.320) 20.394 25.398 ( 11.480 3.003 -18.493) 21.972 25.655 ( 15.904 -11.893 -18.534) 27.165 27.154 ( -11.556 4.631 14.361) 19.006 27.265 ( -6.093 0.009 7.368) 9.561 27.854 ( -0.537 8.325 -9.822) 12.886 27.975 ( 3.329 2.945 -6.928) 8.231 29.059 ( -1.112 -0.768 2.348) 2.709 29.133 ( 2.730 -3.855 2.073) 5.159 29.518 ( -0.019 -3.045 -4.142) 5.141 29.586 ( 1.931 -7.800 -1.311) 8.141 30.194 ( -2.309 0.532 0.697) 2.470 30.213 ( -2.721 -0.553 2.079) 3.468 30.289 ( 2.317 1.855 -1.633) 3.387 30.325 ( 3.070 0.232 -2.484) 3.956 31.199 ( -2.092 1.318 2.836) 3.763 31.245 ( -0.864 1.399 -0.410) 1.695 31.286 ( -0.443 0.228 -3.360) 3.397 31.388 ( 2.186 -2.635 1.427) 3.709 31.786 ( -5.847 -1.264 6.916) 9.144 31.798 ( -4.921 -1.793 3.947) 6.558 31.980 ( 5.596 1.865 -8.440) 10.297 32.057 ( 6.655 -3.273 -7.250) 10.371 32.796 ( -5.998 3.711 10.032) 12.263 32.856 ( -6.931 1.206 9.509) 11.829 33.002 ( 5.310 3.921 -8.873) 11.059 33.094 ( 5.942 0.125 -11.313) 12.780 33.550 ( -1.976 3.279 4.596) 5.982 33.691 ( 6.642 -3.653 -1.460) 7.719 33.954 ( -3.956 -1.911 6.663) 7.981 33.992 ( -0.495 -3.323 -6.499) 7.316 35.645 ( -1.272 -0.633 1.873) 2.351 35.648 ( -2.953 -0.288 3.344) 4.471 35.702 ( 1.863 0.540 -1.896) 2.712 35.757 ( 3.170 -1.562 -4.600) 5.801 35.982 ( -2.230 5.296 1.733) 6.002 36.082 ( 4.076 6.660 -2.261) 8.129 36.147 ( -0.863 -1.327 -3.328) 3.685 36.248 ( -1.911 3.511 2.679) 4.812 36.253 ( 2.830 -1.551 -0.934) 3.360 36.342 ( 3.089 -0.850 0.644) 3.268 36.491 ( -0.169 -3.181 2.282) 3.918 36.569 ( 3.055 -6.185 0.163) 6.900 37.497 ( -3.612 1.177 -1.866) 4.232 37.621 ( 0.858 -4.911 7.209) 8.765 38.494 ( -4.201 6.447 -3.452) 8.434 38.571 ( -0.645 2.829 3.248) 4.356 ======================= Grid point 105 (55/64) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 4.570 6.855 0.002) 8.239 1.238 ( 1.057 -2.862 -2.276) 3.806 1.331 ( -1.310 4.345 1.694) 4.844 1.355 ( 0.427 1.573 2.454) 2.946 1.479 ( -1.357 3.947 -4.868) 6.412 1.550 ( 1.183 1.982 7.277) 7.634 1.589 ( 5.238 1.445 -0.965) 5.519 1.693 ( -3.631 -1.827 3.461) 5.339 1.757 ( -5.101 -0.387 3.031) 5.946 1.770 ( 0.024 -4.588 0.397) 4.605 1.907 ( -5.008 3.523 -6.345) 8.817 2.027 ( -4.913 0.101 -4.185) 6.455 2.052 ( 2.006 -1.373 -4.243) 4.890 2.149 ( -1.091 -2.307 -4.165) 4.884 2.180 ( -4.889 0.905 2.757) 5.685 2.324 ( -2.408 0.372 1.291) 2.757 2.385 ( 3.343 1.556 8.914) 9.647 2.491 ( 3.281 1.664 5.297) 6.449 2.589 ( -4.300 4.762 2.292) 6.813 2.680 ( 4.112 0.148 -5.254) 6.674 2.723 ( -0.407 1.566 6.237) 6.444 2.813 ( -2.539 4.418 -0.427) 5.114 2.949 ( 3.343 -1.534 1.032) 3.820 3.041 ( 4.918 2.856 0.066) 5.688 3.159 ( -6.709 5.626 3.983) 9.619 3.216 ( -2.858 1.917 6.466) 7.325 3.343 ( 3.310 5.835 -8.786) 11.054 3.403 ( 3.179 -1.333 -3.177) 4.689 3.540 ( -2.607 -2.388 2.365) 4.253 3.635 ( -0.618 -1.324 -1.434) 2.047 3.710 ( -8.123 -6.362 8.832) 13.582 3.760 ( 2.714 6.386 -7.228) 10.020 3.816 ( -5.448 -0.010 5.844) 7.989 3.911 ( -4.824 4.904 -3.787) 7.853 3.965 ( -3.565 1.129 -1.093) 3.896 4.061 ( 1.397 -2.141 6.484) 6.970 4.196 ( 0.183 3.020 -0.976) 3.179 4.283 ( 0.050 1.614 1.221) 2.024 4.367 ( -1.706 1.657 -6.352) 6.783 4.408 ( -3.502 -0.332 7.365) 8.162 4.585 ( -0.156 0.323 7.350) 7.359 4.654 ( 0.066 -3.549 1.285) 3.774 4.708 ( -1.076 -3.921 5.411) 6.768 4.775 ( -2.793 4.295 -1.620) 5.373 4.852 ( -0.467 -1.116 -5.165) 5.305 4.890 ( 1.462 -2.959 -0.339) 3.318 4.915 ( 1.431 -1.169 -3.827) 4.249 4.998 ( 1.241 1.201 -3.116) 3.563 5.062 ( -1.901 -0.907 1.921) 2.851 5.086 ( 0.911 -1.080 0.753) 1.602 5.251 ( -1.289 0.515 3.118) 3.413 5.330 ( 1.091 -0.887 2.992) 3.306 5.372 ( 5.404 -2.672 -0.624) 6.060 5.527 ( 1.942 -0.857 -6.609) 6.942 5.579 ( 9.681 -5.894 -4.342) 12.137 5.644 ( 0.665 -4.015 0.414) 4.090 5.689 ( -1.893 -1.326 2.489) 3.397 5.699 ( -8.349 -3.121 6.067) 10.783 5.818 ( 8.005 0.123 -0.832) 8.049 5.908 ( 4.918 -4.752 -4.371) 8.116 6.005 ( 0.538 2.917 1.749) 3.443 6.085 ( -0.855 -0.155 1.690) 1.901 6.314 ( -5.090 3.538 -0.560) 6.224 6.372 ( -0.765 0.809 -5.391) 5.505 6.452 ( 0.202 3.903 3.766) 5.428 6.491 ( 1.437 2.664 2.265) 3.780 6.596 ( 0.718 -2.961 0.001) 3.046 6.712 ( -0.822 -5.739 -3.149) 6.597 6.884 ( -0.054 5.329 0.493) 5.352 6.971 ( 5.223 -2.102 -2.984) 6.372 7.226 ( -2.066 3.629 3.226) 5.277 7.278 ( 1.316 0.661 -2.082) 2.550 7.438 ( 2.161 3.703 1.691) 4.609 7.520 ( 2.197 1.205 -0.921) 2.669 7.586 ( -2.299 -1.856 2.838) 4.097 7.592 ( -0.451 -1.820 0.877) 2.070 7.858 ( -1.422 2.693 -0.168) 3.050 7.993 ( -5.656 -4.603 1.107) 7.376 8.048 ( 2.611 1.570 -1.167) 3.262 8.148 ( -1.274 -2.200 -2.707) 3.714 8.503 ( 0.190 2.836 -0.549) 2.895 8.553 ( 1.049 3.103 -0.734) 3.357 8.577 ( 0.416 -0.074 0.529) 0.678 8.670 ( 0.429 -1.614 -1.610) 2.319 8.704 ( -0.070 2.551 2.838) 3.817 8.755 ( 3.185 1.075 -0.902) 3.480 8.766 ( 3.517 1.514 -1.912) 4.280 8.822 ( 2.375 -1.632 -1.556) 3.275 9.179 ( -0.032 2.540 0.339) 2.562 9.197 ( 1.082 1.872 0.883) 2.336 9.264 ( -1.851 0.512 -0.326) 1.948 9.319 ( -1.840 -1.118 0.018) 2.153 9.589 ( 0.066 1.891 2.651) 3.257 9.666 ( 2.672 -1.012 -1.578) 3.264 9.826 ( -0.228 -2.870 -3.325) 4.398 9.865 ( -2.049 -3.915 -0.111) 4.420 10.378 ( -3.221 3.280 4.670) 6.553 10.448 ( 1.006 1.864 -1.596) 2.652 10.535 ( -2.435 -0.567 3.805) 4.553 10.601 ( -0.266 -1.991 -2.338) 3.083 11.192 ( 1.230 -0.074 -0.698) 1.416 11.250 ( -0.872 -0.527 0.279) 1.056 11.257 ( -0.708 -0.826 -1.237) 1.648 11.266 ( -0.020 -2.057 -1.040) 2.305 11.411 ( 1.861 -0.862 -0.315) 2.075 11.494 ( 0.144 -3.519 -0.636) 3.579 11.573 ( 0.593 0.784 1.710) 1.973 11.623 ( 0.963 -0.943 0.030) 1.348 11.895 ( -2.472 2.971 1.978) 4.342 11.960 ( -0.634 -0.274 -0.985) 1.203 12.015 ( 0.960 2.207 -0.469) 2.452 12.066 ( 1.985 -0.389 -2.346) 3.097 12.397 ( -1.258 2.349 2.341) 3.547 12.483 ( 1.898 1.356 -2.968) 3.775 12.525 ( -2.499 -3.471 -1.560) 4.553 12.561 ( -1.105 -2.037 -2.803) 3.637 13.147 ( -1.748 0.667 0.596) 1.964 13.180 ( -1.145 -0.579 1.030) 1.645 13.283 ( -2.562 2.177 2.484) 4.180 13.322 ( -0.949 0.196 1.950) 2.178 13.401 ( -0.475 1.843 1.133) 2.215 13.535 ( -1.465 -3.915 4.936) 6.468 13.578 ( 3.895 0.608 -7.770) 8.713 13.727 ( 6.576 -9.265 -11.819) 16.395 14.161 ( -3.057 0.060 2.145) 3.735 14.197 ( -0.286 -0.293 -0.388) 0.564 14.304 ( -1.051 -1.132 5.013) 5.246 14.360 ( 3.324 -2.198 -1.434) 4.235 14.458 ( 3.013 2.646 4.345) 5.913 14.588 ( 1.476 -1.498 4.176) 4.676 14.755 ( -1.250 0.185 0.578) 1.389 14.848 ( 2.114 -2.379 -3.478) 4.714 15.138 ( 3.125 2.134 -1.262) 3.989 15.220 ( -4.438 2.990 3.033) 6.151 15.271 ( -0.619 -0.048 0.965) 1.148 15.299 ( 1.422 0.198 -0.688) 1.592 15.346 ( 0.429 -0.082 0.892) 0.993 15.498 ( -2.414 -3.710 2.079) 4.890 15.672 ( -3.958 4.747 -3.709) 7.208 15.803 ( -1.261 -0.154 -3.880) 4.082 15.945 ( -3.930 0.070 5.490) 6.752 16.057 ( -5.531 -6.587 9.005) 12.453 16.132 ( 3.451 1.788 -6.809) 7.840 16.199 ( 4.367 -1.987 -5.948) 7.642 16.614 ( -4.597 0.411 6.812) 8.228 16.633 ( -4.062 -0.172 6.806) 7.927 16.775 ( 5.712 2.569 -7.165) 9.517 16.864 ( 2.917 -1.357 -6.323) 7.094 17.451 ( 0.039 0.785 0.454) 0.908 17.475 ( 0.215 -0.163 0.109) 0.291 17.512 ( 0.572 -0.316 -1.143) 1.317 17.533 ( -0.742 -0.908 0.267) 1.203 20.503 ( 1.163 2.185 0.452) 2.516 20.547 ( -0.715 0.563 0.062) 0.912 20.700 ( 1.817 2.380 1.626) 3.408 20.752 ( 2.222 -1.174 -1.456) 2.905 20.787 ( -1.028 2.181 -1.535) 2.859 20.853 ( -2.407 1.351 -0.552) 2.815 21.003 ( -1.519 0.254 4.967) 5.201 21.031 ( 1.154 -1.104 1.220) 2.010 21.339 ( -0.555 -0.483 3.697) 3.769 21.373 ( -1.657 -1.904 2.869) 3.821 21.444 ( 2.440 -1.026 -4.490) 5.212 21.452 ( 3.422 -0.644 -3.325) 4.815 22.993 ( -3.760 4.805 4.226) 7.422 23.116 ( 0.496 -0.939 -2.943) 3.129 23.187 ( -0.386 -0.144 0.931) 1.018 23.212 ( 2.754 -1.546 -3.034) 4.379 25.071 ( -10.547 -0.088 17.570) 20.493 25.117 ( -10.928 -1.957 16.536) 19.917 25.398 ( 13.545 3.142 -19.397) 23.866 25.674 ( 12.243 -13.254 -21.155) 27.805 27.145 ( -10.582 4.166 18.225) 21.482 27.254 ( -8.042 -1.183 12.139) 14.609 27.729 ( 2.061 6.531 -14.365) 15.915 27.868 ( -1.314 0.550 -14.562) 14.631 29.099 ( 1.197 2.057 4.818) 5.374 29.213 ( 3.217 -2.593 2.668) 4.918 29.485 ( 2.096 -0.628 -4.791) 5.267 29.575 ( -0.176 -5.672 -2.948) 6.395 30.167 ( -1.090 0.424 -0.189) 1.184 30.184 ( -2.468 -0.496 0.751) 2.627 30.313 ( 2.168 2.393 -0.567) 3.279 30.348 ( 1.934 1.205 -1.135) 2.546 31.181 ( -2.457 1.888 1.468) 3.428 31.241 ( 0.284 -0.243 1.321) 1.373 31.269 ( 0.613 2.034 -1.558) 2.635 31.400 ( -1.340 -2.771 -0.791) 3.178 31.739 ( -5.049 0.420 5.038) 7.145 31.800 ( -2.286 -2.393 4.204) 5.350 31.984 ( 5.412 2.139 -7.334) 9.362 32.073 ( 4.983 -3.718 -7.435) 9.692 32.800 ( -6.254 3.146 9.168) 11.535 32.841 ( -7.407 1.471 9.453) 12.099 32.992 ( 5.474 3.732 -9.361) 11.469 33.053 ( 5.235 1.017 -12.136) 13.256 33.594 ( 0.205 4.428 5.558) 7.109 33.777 ( 5.520 -4.391 -3.331) 7.800 33.926 ( -0.504 -2.102 -1.831) 2.833 33.950 ( -4.221 -2.856 4.636) 6.890 35.641 ( -3.037 -0.248 4.515) 5.447 35.646 ( -1.280 -0.722 2.275) 2.709 35.711 ( 2.257 1.124 -2.818) 3.781 35.757 ( 3.357 -0.852 -5.212) 6.258 35.961 ( -2.446 4.268 1.577) 5.166 36.058 ( -1.021 2.281 -4.543) 5.185 36.155 ( 3.838 2.548 -1.840) 4.961 36.222 ( -0.923 0.678 -0.596) 1.291 36.321 ( 2.349 1.985 3.337) 4.538 36.417 ( 4.572 -1.568 1.018) 4.940 36.521 ( 0.399 -2.098 1.339) 2.521 36.591 ( -0.524 -3.369 -0.890) 3.524 37.498 ( 3.380 -1.419 3.420) 5.014 37.703 ( -2.900 -10.205 9.451) 14.208 38.390 ( -3.094 8.601 -2.998) 9.620 38.555 ( -3.513 0.388 -0.422) 3.559 ======================= Grid point 106 (56/64) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 4.017 2.542 3.166) 5.712 1.284 ( 1.656 4.791 -0.881) 5.146 1.307 ( 0.629 2.174 4.923) 5.418 1.361 ( -2.172 0.757 0.916) 2.476 1.440 ( 1.448 3.468 -1.297) 3.975 1.497 ( -7.091 3.086 -6.082) 9.839 1.642 ( -3.514 0.865 0.273) 3.629 1.666 ( 3.499 -1.256 -2.500) 4.480 1.698 ( -3.442 3.415 0.643) 4.891 1.731 ( 3.084 2.480 -1.518) 4.238 1.871 ( 0.067 -4.058 5.029) 6.462 1.936 ( -0.771 -1.354 -2.329) 2.802 2.087 ( -1.772 -3.762 1.747) 4.510 2.115 ( -2.302 1.233 3.465) 4.339 2.182 ( 7.193 -4.500 0.731) 8.517 2.292 ( 0.856 -5.103 -5.003) 7.198 2.491 ( 3.766 4.417 0.273) 5.811 2.569 ( 0.205 0.854 -3.870) 3.968 2.584 ( 5.047 2.073 3.809) 6.654 2.626 ( -3.484 -1.942 -5.808) 7.046 2.791 ( 1.453 7.610 4.127) 8.779 2.900 ( 2.500 3.936 12.652) 13.484 2.968 ( 1.298 3.312 -5.316) 6.396 3.065 ( -0.349 -1.738 0.661) 1.892 3.151 ( 0.169 1.126 -1.569) 1.939 3.231 ( 0.396 0.907 -8.074) 8.134 3.299 ( -3.520 3.137 9.130) 10.275 3.447 ( 4.802 -3.876 0.949) 6.243 3.537 ( -2.372 -4.301 1.216) 5.059 3.580 ( -0.630 -0.695 0.791) 1.227 3.642 ( -6.310 4.556 -0.275) 7.788 3.686 ( 1.386 4.578 -9.614) 10.738 3.809 ( -5.488 2.695 6.853) 9.184 3.880 ( -5.242 0.015 11.951) 13.050 3.945 ( 5.135 3.697 -2.289) 6.729 4.109 ( -0.277 -0.230 -4.639) 4.653 4.208 ( 0.143 4.298 -1.135) 4.447 4.267 ( 2.854 4.603 -4.386) 6.970 4.380 ( -1.540 1.084 4.730) 5.091 4.397 ( 2.116 0.822 2.855) 3.647 4.637 ( -2.719 2.507 8.271) 9.060 4.683 ( -0.195 -2.892 4.639) 5.470 4.730 ( -1.259 0.313 -0.448) 1.373 4.758 ( 2.670 -3.438 0.357) 4.368 4.813 ( 2.410 -0.325 -5.276) 5.809 4.833 ( -3.017 -1.748 -3.321) 4.815 4.941 ( 2.894 -3.575 0.125) 4.601 4.982 ( 2.535 2.518 -5.837) 6.844 5.041 ( -5.996 -6.677 6.297) 10.962 5.131 ( 4.494 -3.327 -2.792) 6.250 5.272 ( -0.218 3.576 3.612) 5.087 5.389 ( 0.355 0.988 -1.004) 1.453 5.401 ( 3.170 -1.542 -2.953) 4.599 5.469 ( -1.221 -2.825 -3.057) 4.338 5.587 ( -8.084 -3.945 5.683) 10.640 5.636 ( -6.364 -2.476 3.014) 7.465 5.713 ( 8.256 -5.866 -2.890) 10.532 5.723 ( 5.967 -2.261 -2.894) 7.007 5.869 ( 1.372 -1.209 -1.844) 2.598 5.920 ( -0.650 -2.716 -3.985) 4.866 6.081 ( 1.614 5.157 4.238) 6.868 6.110 ( 0.051 4.346 3.582) 5.632 6.242 ( 0.499 -0.242 -2.333) 2.398 6.256 ( -3.642 -0.548 -3.017) 4.761 6.513 ( 2.307 1.874 2.174) 3.683 6.573 ( 2.673 1.405 4.119) 5.107 6.582 ( -1.334 -1.276 -2.381) 3.012 6.643 ( -2.582 -4.140 -2.947) 5.700 6.913 ( -0.134 7.205 3.971) 8.228 6.992 ( 0.816 2.527 -3.833) 4.663 7.206 ( -2.618 0.122 1.343) 2.944 7.242 ( -1.164 -0.888 -2.679) 3.053 7.476 ( -0.997 2.462 3.146) 4.117 7.545 ( 3.360 2.151 -3.262) 5.153 7.578 ( -3.141 -2.598 3.400) 5.308 7.616 ( 1.474 -1.614 0.630) 2.275 7.861 ( 0.825 0.903 2.587) 2.862 7.919 ( -2.194 -3.521 -1.746) 4.501 8.084 ( 2.081 -1.174 -0.344) 2.414 8.102 ( -0.055 -1.880 -2.528) 3.151 8.513 ( 0.318 2.195 0.826) 2.366 8.537 ( -0.643 2.206 -1.274) 2.627 8.607 ( 1.292 0.096 1.124) 1.715 8.638 ( -0.993 -0.590 -1.990) 2.301 8.721 ( -1.466 1.645 2.363) 3.231 8.766 ( -0.104 0.199 -1.027) 1.051 8.806 ( 0.458 0.847 -1.519) 1.798 8.820 ( 1.593 0.731 -1.789) 2.504 9.199 ( 1.195 3.349 1.506) 3.862 9.220 ( -0.698 3.081 -0.425) 3.188 9.257 ( 1.882 -0.459 0.957) 2.160 9.278 ( -2.107 -0.618 -0.980) 2.405 9.617 ( -0.469 -0.075 2.803) 2.842 9.668 ( 0.429 -1.997 -2.295) 3.072 9.819 ( -2.209 -1.731 -0.530) 2.856 9.832 ( 3.545 -1.584 -1.987) 4.362 10.378 ( -3.436 3.002 5.115) 6.854 10.443 ( -0.008 0.518 -0.354) 0.627 10.551 ( 0.520 0.088 0.589) 0.791 10.587 ( 2.509 -1.137 -2.166) 3.505 11.208 ( 0.559 -0.343 0.163) 0.676 11.224 ( -0.271 -0.781 -1.174) 1.436 11.239 ( -1.397 -1.398 0.486) 2.035 11.261 ( 1.299 -2.651 -1.756) 3.434 11.442 ( 1.304 -1.407 0.894) 2.117 11.467 ( -1.768 -2.135 -1.364) 3.090 11.602 ( 0.067 0.116 1.954) 1.958 11.628 ( -0.011 -0.753 -0.738) 1.054 11.888 ( -1.364 3.100 2.575) 4.254 11.937 ( -0.177 0.988 -1.642) 1.924 12.023 ( -0.317 1.334 0.826) 1.601 12.066 ( 1.278 -0.824 -2.569) 2.985 12.413 ( -0.848 0.638 3.371) 3.534 12.470 ( -1.377 -2.291 -1.672) 3.153 12.484 ( 1.264 -0.017 -1.211) 1.750 12.506 ( -1.537 -0.983 -2.610) 3.184 13.133 ( -2.269 -0.140 2.694) 3.525 13.161 ( -1.206 -0.977 -0.313) 1.583 13.269 ( -3.823 1.321 4.220) 5.845 13.320 ( -0.637 -0.301 1.632) 1.778 13.414 ( -0.939 2.030 2.468) 3.331 13.553 ( -1.680 -2.645 2.456) 3.982 13.563 ( 4.689 -0.686 -7.268) 8.677 13.707 ( 6.991 -7.818 -11.536) 15.591 14.145 ( -2.357 0.954 3.015) 3.944 14.192 ( 0.719 -0.681 -1.022) 1.423 14.326 ( -1.931 -0.145 3.464) 3.969 14.393 ( 2.959 -2.448 -2.276) 4.465 14.565 ( 1.832 1.439 5.503) 5.975 14.612 ( -3.225 1.691 1.668) 4.005 14.748 ( -1.791 1.116 2.403) 3.198 14.853 ( 5.487 -1.630 -6.061) 8.337 15.119 ( -9.350 4.412 4.113) 11.127 15.194 ( 5.171 1.254 -1.123) 5.438 15.290 ( -0.346 0.512 1.177) 1.329 15.362 ( 1.985 0.503 -1.359) 2.458 15.365 ( 5.327 -1.245 0.982) 5.558 15.429 ( -3.805 -1.363 -2.629) 4.821 15.640 ( 0.930 0.790 2.014) 2.355 15.717 ( -2.427 -1.847 -5.074) 5.920 15.961 ( -3.544 1.170 7.641) 8.504 16.070 ( -3.677 -3.871 7.286) 9.033 16.113 ( 3.266 1.739 -7.132) 8.035 16.205 ( 4.292 -2.849 -5.909) 7.839 16.614 ( -4.539 0.872 7.302) 8.641 16.659 ( -1.603 -1.193 5.675) 6.017 16.793 ( 5.152 1.073 -6.121) 8.072 16.827 ( 1.468 -0.340 -6.941) 7.103 17.458 ( -0.019 1.150 0.774) 1.386 17.473 ( -0.039 0.698 -0.652) 0.956 17.514 ( -0.512 -0.961 0.276) 1.124 17.521 ( 0.081 -1.110 -0.330) 1.160 20.522 ( -1.004 2.312 1.029) 2.722 20.537 ( 0.926 1.396 -0.539) 1.760 20.721 ( -0.586 0.092 0.941) 1.112 20.753 ( 0.478 -1.141 -2.491) 2.781 20.789 ( 0.367 3.013 1.553) 3.409 20.819 ( 0.096 2.241 -1.501) 2.698 21.016 ( -3.345 0.833 4.859) 5.958 21.066 ( 1.896 -1.380 0.087) 2.347 21.357 ( -3.777 -1.269 4.479) 5.995 21.371 ( -1.600 -1.296 3.064) 3.691 21.443 ( 2.833 -0.678 -3.870) 4.844 21.467 ( 3.988 -1.829 -5.228) 6.825 22.993 ( -2.640 3.654 5.260) 6.927 23.086 ( 0.555 -0.592 -3.521) 3.614 23.185 ( -0.961 -0.046 0.714) 1.199 23.227 ( 2.749 -1.734 -2.823) 4.305 25.071 ( -11.201 0.596 16.014) 19.552 25.159 ( -9.529 -4.622 20.838) 23.375 25.418 ( 14.573 2.086 -19.697) 24.590 25.606 ( 10.405 -8.621 -24.189) 27.708 27.213 ( -7.286 2.428 20.902) 22.268 27.266 ( -8.817 0.040 16.066) 18.326 27.643 ( 7.839 3.444 -15.187) 17.434 27.681 ( 2.510 1.747 -18.689) 18.938 29.172 ( -1.074 2.965 6.750) 7.450 29.266 ( 0.727 -0.587 -0.223) 0.960 29.475 ( -0.622 -2.173 -1.241) 2.579 29.533 ( 1.564 -3.928 -4.862) 6.443 30.152 ( -1.512 0.535 0.884) 1.832 30.166 ( 0.555 -0.149 -0.332) 0.664 30.338 ( 0.475 2.383 0.205) 2.439 30.355 ( 0.423 1.627 -1.209) 2.071 31.179 ( -0.433 3.600 2.762) 4.558 31.230 ( -0.257 1.746 -2.393) 2.973 31.296 ( 1.104 -0.976 2.600) 2.989 31.353 ( -0.678 -2.171 -2.957) 3.730 31.731 ( -4.144 0.944 6.481) 7.750 31.805 ( -1.225 -2.977 1.899) 3.738 31.998 ( 4.078 1.332 -4.688) 6.355 32.060 ( 3.667 -2.853 -8.030) 9.277 32.793 ( -6.817 2.645 9.602) 12.069 32.818 ( -8.306 1.924 10.220) 13.309 32.981 ( 5.912 3.094 -9.483) 11.595 33.024 ( 6.846 1.377 -11.013) 13.041 33.652 ( -1.900 3.479 6.524) 7.634 33.764 ( -0.342 -1.122 -4.648) 4.794 33.905 ( -5.411 -1.984 4.654) 7.408 33.983 ( 7.263 -4.582 -3.025) 9.105 35.645 ( -2.731 -0.119 4.874) 5.588 35.652 ( -1.558 -0.563 2.866) 3.310 35.712 ( 2.325 1.603 -3.750) 4.694 35.755 ( 3.764 -0.382 -5.966) 7.064 35.950 ( -1.116 2.922 2.458) 3.978 36.002 ( -0.216 1.542 -3.327) 3.673 36.182 ( -0.764 1.255 0.148) 1.476 36.200 ( 0.708 0.944 -1.564) 1.960 36.399 ( 0.917 3.353 4.442) 5.640 36.472 ( -0.100 0.756 -2.676) 2.782 36.517 ( -0.811 -2.519 2.482) 3.628 36.560 ( -0.105 -2.640 -1.743) 3.165 37.642 ( 2.684 -5.678 6.937) 9.358 37.708 ( -1.116 -8.766 1.210) 8.920 38.373 ( 1.835 5.851 2.959) 6.808 38.462 ( -3.301 1.182 -4.780) 5.928 ======================= Grid point 107 (57/64) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -11.777 11.194 -1.044) 16.281 1.206 ( -4.134 7.388 -0.618) 8.488 1.351 ( 1.836 2.219 -0.242) 2.891 1.391 ( 0.058 0.626 -1.147) 1.308 1.440 ( 0.982 5.044 -1.435) 5.336 1.540 ( -1.900 3.748 2.401) 4.840 1.627 ( 2.755 -0.237 1.293) 3.052 1.686 ( 7.198 2.332 0.911) 7.621 1.765 ( 3.727 -3.505 -0.149) 5.118 1.795 ( 5.544 0.647 3.272) 6.470 1.902 ( 1.457 -4.394 0.001) 4.629 1.945 ( -0.070 -3.694 2.199) 4.299 2.055 ( -1.537 0.551 3.857) 4.189 2.164 ( 2.568 -5.812 -12.132) 13.696 2.183 ( 1.292 -2.922 -0.202) 3.201 2.320 ( 4.687 -5.525 0.690) 7.278 2.498 ( 1.895 3.303 -4.399) 5.819 2.583 ( 5.382 2.042 -3.494) 6.734 2.621 ( 3.605 4.636 -0.036) 5.873 2.695 ( 4.855 -1.026 -4.050) 6.405 2.852 ( -3.259 8.862 2.939) 9.889 2.878 ( 3.814 6.743 -7.676) 10.906 2.910 ( -6.582 3.098 -1.781) 7.489 3.077 ( 1.387 -0.833 -5.049) 5.302 3.133 ( -3.061 4.379 8.894) 10.376 3.201 ( 3.446 -2.358 -4.405) 6.070 3.295 ( -6.825 -5.424 6.890) 11.112 3.440 ( 1.521 1.380 -10.445) 10.645 3.527 ( -5.760 5.699 10.275) 13.086 3.620 ( 1.727 0.928 -5.949) 6.264 3.662 ( 6.586 -3.509 -0.297) 7.468 3.705 ( 6.383 2.238 9.953) 12.033 3.807 ( -3.675 -0.781 7.774) 8.634 3.888 ( -3.020 2.070 5.237) 6.390 4.010 ( 1.209 0.949 -8.580) 8.717 4.062 ( 1.686 -1.795 5.628) 6.144 4.213 ( 1.475 5.401 -0.747) 5.649 4.272 ( -1.698 0.490 -0.520) 1.843 4.328 ( 3.842 6.810 -4.797) 9.173 4.546 ( 6.977 -2.716 -1.345) 7.607 4.673 ( -0.661 -0.477 1.096) 1.366 4.688 ( -2.732 -2.803 2.965) 4.910 4.731 ( -1.412 -0.405 -2.991) 3.332 4.754 ( 1.877 0.199 1.290) 2.286 4.810 ( 0.227 0.430 2.430) 2.478 4.855 ( 6.337 1.315 -3.618) 7.414 4.922 ( -0.373 0.921 -4.602) 4.708 4.988 ( -1.069 -4.760 -0.372) 4.893 5.022 ( 0.657 -4.496 2.256) 5.073 5.128 ( -1.187 1.909 -1.294) 2.593 5.312 ( 1.974 -0.856 -1.987) 2.929 5.379 ( 1.038 -1.718 -0.546) 2.080 5.396 ( -3.325 -2.197 1.335) 4.203 5.426 ( 0.307 -0.109 -1.919) 1.947 5.499 ( -7.984 -3.266 1.904) 8.833 5.563 ( -6.393 0.502 5.468) 8.428 5.740 ( -1.685 -2.984 -0.548) 3.471 5.815 ( 6.636 -3.302 -3.239) 8.088 5.833 ( -5.338 -4.272 -0.708) 6.873 5.886 ( 4.155 -0.939 -6.031) 7.383 6.031 ( -3.183 4.810 1.238) 5.899 6.126 ( -0.501 0.683 -0.897) 1.233 6.273 ( 3.459 -0.027 1.350) 3.713 6.298 ( 2.532 -1.105 1.988) 3.403 6.515 ( -0.031 1.727 -2.895) 3.371 6.535 ( -2.554 0.768 -1.227) 2.936 6.599 ( 0.533 -0.930 -1.014) 1.475 6.644 ( 0.246 -3.224 3.576) 4.821 6.888 ( -5.561 2.522 1.030) 6.192 6.961 ( -0.830 1.764 -2.356) 3.058 7.181 ( -2.494 2.111 4.723) 5.743 7.240 ( -0.309 -1.331 2.538) 2.883 7.472 ( -2.205 1.776 0.532) 2.881 7.540 ( 1.838 3.788 -4.811) 6.393 7.557 ( -3.694 -1.898 3.888) 5.689 7.642 ( 2.141 -1.057 -1.509) 2.825 7.888 ( 1.487 -0.388 -1.958) 2.489 7.945 ( 3.261 -0.970 4.257) 5.450 8.068 ( 0.030 -0.628 -2.525) 2.602 8.130 ( 3.140 -2.923 -0.754) 4.356 8.502 ( -0.786 2.972 -0.147) 3.077 8.536 ( -0.678 2.916 0.696) 3.074 8.596 ( -0.969 -0.447 -1.427) 1.782 8.642 ( 0.858 -1.949 1.071) 2.383 8.713 ( -2.883 1.432 2.245) 3.924 8.737 ( -4.459 0.856 1.345) 4.735 8.762 ( 0.348 1.965 -2.941) 3.554 8.823 ( -0.792 -1.116 -1.158) 1.792 9.194 ( -0.428 2.453 -1.127) 2.733 9.222 ( -1.293 1.552 -1.582) 2.566 9.247 ( 1.298 1.750 1.557) 2.678 9.311 ( 2.196 -0.131 0.677) 2.302 9.619 ( -1.778 0.001 0.983) 2.031 9.661 ( 0.830 -1.191 -1.335) 1.972 9.779 ( -1.255 -0.193 0.093) 1.274 9.887 ( 4.579 -3.495 -1.688) 6.002 10.372 ( -3.284 3.847 4.246) 6.603 10.450 ( 1.171 0.903 -0.356) 1.520 10.558 ( 0.593 0.269 -0.022) 0.652 10.630 ( 5.459 -1.788 -3.906) 6.947 11.195 ( -0.528 -0.656 -1.021) 1.324 11.221 ( -1.366 -1.329 1.831) 2.643 11.247 ( 2.085 -1.194 -0.238) 2.415 11.274 ( 1.616 -2.083 -0.558) 2.695 11.416 ( -2.411 -1.166 -0.945) 2.839 11.468 ( -0.059 -2.861 1.719) 3.338 11.604 ( -1.368 -0.258 -1.369) 1.952 11.611 ( -1.156 -0.191 1.396) 1.823 11.904 ( -0.823 2.676 3.386) 4.394 11.929 ( 0.984 1.332 -0.768) 1.825 12.021 ( -1.389 0.759 1.499) 2.180 12.051 ( 0.610 -0.713 -3.081) 3.221 12.419 ( -2.263 0.363 2.740) 3.572 12.447 ( -0.389 -0.349 -1.522) 1.609 12.494 ( 1.541 -0.956 1.753) 2.522 12.505 ( 0.878 -1.607 1.802) 2.569 13.117 ( -3.147 0.433 2.844) 4.264 13.156 ( -1.028 -1.359 2.563) 3.078 13.254 ( -3.259 1.109 4.727) 5.848 13.349 ( 1.198 -1.462 1.426) 2.368 13.408 ( -3.704 0.388 4.066) 5.514 13.540 ( -3.405 -4.387 2.355) 6.032 13.574 ( 7.854 1.301 -9.195) 12.163 13.713 ( 8.147 -5.255 -10.206) 14.076 14.147 ( -1.624 1.151 3.369) 3.913 14.199 ( 1.071 -1.342 -0.520) 1.794 14.316 ( -2.221 0.487 1.097) 2.525 14.397 ( 0.711 -3.101 -2.947) 4.336 14.527 ( -5.731 3.795 -1.488) 7.032 14.606 ( -1.890 -0.678 2.150) 2.942 14.745 ( -1.229 1.697 1.842) 2.789 14.875 ( 3.648 -3.571 -6.505) 8.269 15.051 ( -4.919 4.498 5.285) 8.507 15.233 ( -3.307 -3.865 3.341) 6.086 15.317 ( 6.943 3.511 -4.516) 8.996 15.347 ( 1.039 2.717 -3.545) 4.586 15.394 ( 2.587 -0.345 -3.092) 4.046 15.507 ( 7.994 -1.306 3.347) 8.764 15.618 ( -3.055 1.450 -0.688) 3.451 15.720 ( 2.568 -1.829 3.499) 4.710 15.976 ( -4.119 2.386 6.243) 7.851 16.081 ( -3.699 -2.499 4.663) 6.455 16.091 ( 3.254 1.361 -5.292) 6.360 16.213 ( 4.989 -5.030 -6.538) 9.640 16.618 ( -4.708 1.892 7.325) 8.911 16.696 ( -0.272 -1.728 3.759) 4.146 16.773 ( 1.592 0.895 -7.063) 7.295 16.805 ( 3.127 -0.572 -4.570) 5.567 17.462 ( -0.198 0.750 -0.476) 0.910 17.468 ( 0.004 1.131 0.622) 1.291 17.497 ( -1.437 -0.657 0.438) 1.639 17.532 ( 0.592 -1.527 0.274) 1.661 20.505 ( -1.393 2.250 0.386) 2.675 20.551 ( 0.713 0.570 -0.278) 0.954 20.715 ( -1.876 0.117 1.524) 2.420 20.732 ( -0.738 0.417 -1.844) 2.030 20.781 ( 0.013 2.891 -0.153) 2.895 20.844 ( 2.214 1.143 0.268) 2.506 21.001 ( -3.903 1.388 3.281) 5.285 21.084 ( 1.140 -1.658 -1.550) 2.540 21.334 ( -4.325 -1.482 4.159) 6.181 21.364 ( -2.678 -1.826 1.922) 3.768 21.447 ( 1.924 -0.097 -2.928) 3.505 21.474 ( 4.127 -1.902 -5.494) 7.130 23.010 ( -2.043 2.269 4.634) 5.549 23.071 ( 0.823 0.041 -0.998) 1.294 23.174 ( -0.589 0.744 -0.123) 0.957 23.236 ( 2.162 -1.542 -2.959) 3.976 25.061 ( -10.656 1.401 15.188) 18.607 25.224 ( -10.942 -9.190 20.732) 25.179 25.442 ( 14.650 0.494 -20.459) 25.168 25.531 ( 11.832 -4.195 -21.754) 25.116 27.257 ( -10.536 1.568 15.307) 18.649 27.363 ( -0.535 -2.226 7.666) 8.000 27.602 ( 9.669 6.623 -7.729) 14.039 27.694 ( 11.967 2.149 -6.072) 13.590 29.168 ( -6.011 4.055 1.337) 7.373 29.235 ( -1.895 -0.107 -2.000) 2.757 29.422 ( -3.190 0.183 0.808) 3.296 29.547 ( 2.628 -6.969 -0.914) 7.504 30.148 ( -0.294 1.210 1.440) 1.904 30.188 ( 2.070 -0.746 0.258) 2.216 30.316 ( -2.227 2.319 -0.470) 3.250 30.344 ( -0.830 1.083 -0.819) 1.591 31.200 ( 0.085 2.734 0.021) 2.735 31.229 ( 1.935 2.869 0.809) 3.554 31.292 ( -1.160 -1.481 -1.585) 2.460 31.374 ( 3.231 -1.563 0.814) 3.680 31.735 ( -4.364 0.661 7.223) 8.465 31.801 ( -1.103 -3.189 1.336) 3.629 32.007 ( 2.444 -0.265 -4.519) 5.145 32.028 ( 3.227 -1.015 -7.156) 7.915 32.784 ( -7.558 2.795 10.248) 13.036 32.808 ( -6.764 1.967 11.354) 13.361 32.988 ( 6.794 3.117 -8.490) 11.312 33.036 ( 7.552 1.106 -9.024) 11.819 33.650 ( -4.745 0.532 3.565) 5.959 33.701 ( -4.408 -0.617 0.069) 4.452 33.883 ( -0.765 1.595 1.440) 2.281 34.062 ( 6.948 -5.750 -4.928) 10.277 35.652 ( -1.970 0.041 2.537) 3.212 35.656 ( -2.066 -0.164 4.323) 4.794 35.708 ( 1.927 0.987 -3.577) 4.181 35.753 ( 4.062 -0.839 -6.193) 7.453 35.981 ( 0.597 2.433 3.769) 4.526 35.987 ( 1.402 2.284 -1.075) 2.888 36.136 ( -3.776 2.572 -0.064) 4.569 36.211 ( 0.723 -0.200 0.117) 0.759 36.383 ( -4.094 1.555 -1.800) 4.735 36.407 ( -4.519 1.216 0.952) 4.776 36.538 ( -0.466 -3.604 0.677) 3.697 36.571 ( 1.803 -3.036 0.193) 3.537 37.563 ( -6.728 -0.679 -2.223) 7.118 37.824 ( 6.748 -11.095 -1.964) 13.134 38.382 ( 0.374 6.331 -2.671) 6.881 38.496 ( 5.239 0.432 5.369) 7.514 ======================= Grid point 108 (58/64) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.789 13.864 5.535) 14.949 1.164 ( -2.906 8.879 3.976) 10.153 1.360 ( 0.371 3.018 -2.562) 3.976 1.374 ( 0.181 1.006 -2.603) 2.797 1.421 ( -2.187 3.449 1.362) 4.305 1.549 ( 1.885 3.666 -1.631) 4.433 1.621 ( 1.797 0.433 -2.935) 3.469 1.727 ( -3.848 -1.510 -2.151) 4.660 1.781 ( 1.360 -0.875 1.910) 2.502 1.900 ( 0.205 -9.206 -5.719) 10.840 1.972 ( 6.850 2.464 1.920) 7.528 1.991 ( 2.200 2.743 1.548) 3.842 2.093 ( 5.725 -2.029 -0.340) 6.083 2.156 ( 4.038 -2.916 2.641) 5.638 2.230 ( 0.727 0.274 -1.162) 1.398 2.361 ( 0.005 -4.056 -3.058) 5.080 2.491 ( 2.323 -1.777 -3.369) 4.461 2.550 ( 4.563 6.647 -9.826) 12.710 2.601 ( -4.023 -2.305 -4.913) 6.756 2.711 ( 4.262 5.436 -2.658) 7.401 2.720 ( -3.107 4.739 -3.937) 6.900 2.841 ( -4.572 7.632 -0.949) 8.947 2.898 ( -0.806 6.367 -2.390) 6.848 3.048 ( 0.350 2.725 -5.443) 6.097 3.175 ( 2.036 4.944 8.058) 9.671 3.225 ( -3.698 -4.697 5.312) 7.998 3.304 ( 1.145 -2.797 0.876) 3.147 3.402 ( 4.686 1.984 -2.916) 5.865 3.508 ( -6.167 4.397 4.189) 8.656 3.621 ( 1.063 3.636 2.079) 4.321 3.743 ( 3.431 -0.016 -4.213) 5.434 3.800 ( -0.777 -2.294 1.940) 3.103 3.882 ( -1.843 -1.243 0.574) 2.296 3.925 ( 3.529 0.657 7.723) 8.516 4.055 ( 7.340 -3.530 2.430) 8.499 4.096 ( 1.883 -4.002 0.760) 4.488 4.200 ( -0.531 1.137 0.634) 1.406 4.291 ( 2.389 2.582 1.515) 3.830 4.386 ( 5.186 3.529 -1.974) 6.576 4.547 ( 3.287 -0.528 -12.539) 12.973 4.602 ( -4.000 -2.769 -3.734) 6.133 4.635 ( -3.332 -2.108 -1.541) 4.233 4.750 ( -0.137 -6.912 1.516) 7.077 4.782 ( -5.323 -0.506 2.096) 5.743 4.820 ( 1.165 4.099 4.180) 5.969 4.877 ( 0.336 5.361 -8.047) 9.676 4.892 ( 2.161 2.929 -0.867) 3.742 4.973 ( -0.038 -3.622 2.651) 4.488 5.076 ( 1.985 0.717 -1.260) 2.458 5.110 ( 1.236 1.187 0.561) 1.803 5.300 ( -1.032 -3.555 0.385) 3.722 5.337 ( 0.291 -2.025 -4.609) 5.042 5.370 ( -7.528 -2.515 0.213) 7.940 5.391 ( 4.145 -3.773 -3.329) 6.519 5.471 ( -1.111 0.135 5.065) 5.187 5.556 ( -1.882 4.862 6.954) 8.692 5.661 ( -7.243 -6.972 -3.010) 10.494 5.743 ( -2.056 0.101 3.622) 4.166 5.864 ( 1.996 0.075 -0.745) 2.132 5.903 ( 5.511 -0.999 -6.204) 8.358 6.043 ( 2.627 -1.774 -1.820) 3.655 6.090 ( -2.034 -2.158 -3.149) 4.326 6.308 ( -0.835 -1.853 1.847) 2.746 6.340 ( -0.247 -1.409 2.690) 3.046 6.464 ( -1.404 2.961 -2.898) 4.375 6.537 ( 4.094 2.111 -2.305) 5.151 6.584 ( -1.288 -1.711 -0.943) 2.340 6.663 ( -2.807 -3.141 4.314) 6.030 6.849 ( -2.381 -0.093 4.809) 5.367 6.905 ( -1.594 -2.432 -1.196) 3.145 7.205 ( -2.801 2.869 5.058) 6.454 7.251 ( -1.292 -0.818 1.227) 1.961 7.425 ( -1.736 3.834 -1.359) 4.423 7.512 ( 0.713 4.761 -4.484) 6.578 7.557 ( -2.125 -2.205 4.748) 5.650 7.654 ( 2.468 -1.392 -3.296) 4.346 7.910 ( 3.018 3.031 -1.304) 4.472 8.009 ( -0.876 3.629 0.120) 3.735 8.068 ( 2.808 -2.994 1.387) 4.333 8.169 ( 2.331 -2.981 -0.663) 3.842 8.507 ( 1.133 2.945 0.413) 3.182 8.519 ( -1.144 3.206 0.673) 3.470 8.572 ( -1.482 -0.600 -0.300) 1.627 8.633 ( -3.416 -0.219 -0.336) 3.440 8.678 ( -2.516 2.193 1.080) 3.508 8.698 ( -0.742 -0.014 1.890) 2.030 8.759 ( 1.117 0.355 -1.114) 1.617 8.778 ( -2.519 -1.555 -1.322) 3.242 9.182 ( -0.036 2.298 -0.403) 2.334 9.198 ( 0.192 1.792 -0.994) 2.058 9.284 ( 1.342 0.884 1.240) 2.030 9.338 ( 0.565 -0.339 0.099) 0.666 9.592 ( -2.573 1.533 0.863) 3.117 9.646 ( 1.129 1.105 -3.764) 4.082 9.797 ( 0.644 -2.364 3.446) 4.228 9.931 ( 3.402 -5.052 -2.612) 6.627 10.370 ( -2.226 4.484 3.836) 6.307 10.462 ( 1.568 2.293 -1.867) 3.346 10.567 ( -0.751 -0.565 1.483) 1.756 10.662 ( 4.695 -2.629 -5.770) 7.889 11.181 ( -0.058 -0.695 -0.305) 0.761 11.222 ( -0.953 -1.314 1.407) 2.149 11.276 ( 1.355 0.095 -0.387) 1.412 11.292 ( 1.285 -0.991 -0.613) 1.734 11.385 ( -0.578 -1.784 0.585) 1.964 11.469 ( -1.731 -4.213 0.706) 4.609 11.570 ( -0.887 0.710 -0.471) 1.230 11.600 ( -1.658 -0.435 0.890) 1.932 11.930 ( -0.599 1.912 3.534) 4.062 11.950 ( 1.082 0.672 0.857) 1.535 12.011 ( -1.173 1.005 0.619) 1.664 12.027 ( 0.603 -0.128 -2.770) 2.837 12.415 ( -2.505 2.307 3.613) 4.965 12.436 ( 1.041 1.356 -1.092) 2.029 12.544 ( 0.924 -2.841 2.612) 3.968 12.551 ( 1.252 -2.567 2.884) 4.059 13.108 ( -2.637 1.339 4.639) 5.501 13.168 ( -1.824 -0.737 3.957) 4.419 13.267 ( -1.595 0.787 4.515) 4.853 13.349 ( 0.772 1.201 -3.866) 4.121 13.410 ( -5.247 -4.211 9.127) 11.339 13.500 ( -2.369 -3.960 -0.085) 4.616 13.615 ( 9.022 1.775 -9.118) 12.950 13.734 ( 7.274 -3.624 -10.816) 13.528 14.164 ( -0.935 0.395 3.614) 3.754 14.214 ( -0.056 -1.764 1.575) 2.365 14.287 ( -0.979 0.552 -1.082) 1.560 14.345 ( -3.246 -2.009 -2.011) 4.315 14.448 ( -0.973 2.136 -1.932) 3.040 14.553 ( -4.411 -2.032 -1.647) 5.128 14.752 ( -0.331 0.793 2.090) 2.260 14.846 ( -0.073 -3.667 -2.200) 4.277 15.053 ( -1.823 4.058 4.551) 6.364 15.214 ( -1.218 -2.056 -0.030) 2.390 15.296 ( 1.469 0.033 -4.725) 4.948 15.372 ( 0.262 -0.557 -3.987) 4.034 15.418 ( 5.845 2.736 -3.229) 7.216 15.521 ( -2.518 0.236 -2.225) 3.368 15.745 ( 8.938 0.616 3.849) 9.751 15.785 ( 0.568 0.680 3.076) 3.201 15.971 ( -3.472 1.249 6.047) 7.084 16.072 ( -4.025 -1.367 5.385) 6.860 16.092 ( 2.935 0.513 -3.834) 4.856 16.222 ( 5.249 -6.581 -7.759) 11.449 16.619 ( -5.149 2.951 7.793) 9.795 16.730 ( -0.917 -2.337 3.917) 4.653 16.738 ( 3.191 1.938 -6.383) 7.395 16.801 ( 3.038 -1.049 -4.591) 5.604 17.454 ( -0.173 0.310 -0.411) 0.543 17.469 ( -0.580 -0.142 -0.064) 0.600 17.492 ( -0.320 0.641 1.879) 2.011 17.540 ( 0.094 -1.565 0.122) 1.573 20.490 ( -0.448 1.902 -0.022) 1.955 20.553 ( -0.504 -0.792 -0.190) 0.958 20.680 ( -1.412 2.284 -1.274) 2.972 20.702 ( -2.055 -0.060 0.728) 2.181 20.810 ( 2.263 2.202 1.213) 3.383 20.884 ( 1.614 0.838 1.239) 2.200 20.963 ( -4.076 1.526 2.089) 4.828 21.068 ( -0.093 -1.750 -2.914) 3.401 21.311 ( -3.745 -1.217 4.031) 5.635 21.337 ( -1.947 -1.771 0.786) 2.747 21.441 ( 1.276 0.440 -2.666) 2.989 21.481 ( 3.292 -1.825 -4.824) 6.119 23.030 ( -1.188 1.971 3.960) 4.580 23.085 ( 0.152 0.111 1.573) 1.584 23.166 ( 0.286 1.528 -0.966) 1.830 23.233 ( 1.628 -1.072 -3.352) 3.878 25.052 ( -10.211 1.683 14.735) 18.006 25.233 ( -11.321 -9.413 15.066) 21.065 25.451 ( 11.504 -0.992 -17.838) 21.248 25.525 ( 13.858 -4.242 -18.701) 23.659 27.235 ( -10.084 2.709 12.258) 16.103 27.346 ( 0.049 -0.011 -5.132) 5.132 27.769 ( 12.566 6.462 -2.783) 14.402 27.881 ( 9.270 1.494 2.857) 9.814 29.058 ( -5.696 3.583 1.221) 6.839 29.169 ( -3.620 -2.232 -1.254) 4.434 29.435 ( 1.665 -0.324 3.715) 4.084 29.572 ( 0.663 -8.279 0.133) 8.307 30.174 ( 0.884 1.623 2.204) 2.876 30.229 ( 1.432 -1.089 0.873) 2.000 30.281 ( -0.662 1.433 -0.526) 1.664 30.309 ( -1.958 0.468 -0.920) 2.213 31.212 ( -0.269 1.867 1.671) 2.520 31.255 ( 1.929 0.430 -1.376) 2.408 31.267 ( 0.383 1.476 -1.745) 2.318 31.416 ( 0.780 -2.286 -0.840) 2.558 31.748 ( -3.772 0.347 7.736) 8.613 31.816 ( -0.994 -4.067 4.945) 6.480 31.982 ( 3.751 0.426 -7.635) 8.517 32.019 ( 2.942 -0.929 -4.914) 5.802 32.777 ( -7.170 3.806 10.893) 13.585 32.834 ( -5.326 1.237 11.041) 12.321 33.010 ( 6.098 2.881 -7.678) 10.220 33.067 ( 7.974 0.689 -8.883) 11.957 33.606 ( -1.830 0.391 -1.165) 2.205 33.626 ( -6.980 -1.540 4.886) 8.658 33.903 ( 0.382 2.453 2.185) 3.307 34.092 ( 4.459 -5.891 -6.762) 10.015 35.646 ( -1.346 0.217 1.613) 2.112 35.669 ( -2.312 -0.673 4.235) 4.872 35.697 ( 1.472 0.806 -3.288) 3.692 35.753 ( 3.711 -1.775 -5.561) 6.917 36.005 ( 0.496 4.201 0.553) 4.266 36.052 ( 2.717 3.953 2.419) 5.372 36.075 ( -3.066 2.759 1.338) 4.337 36.222 ( -0.330 -1.596 1.227) 2.040 36.311 ( -1.924 1.167 -2.663) 3.487 36.333 ( -4.424 -0.565 1.625) 4.747 36.524 ( -1.153 -4.008 -0.221) 4.176 36.571 ( -1.792 -5.406 -0.779) 5.748 37.472 ( -1.642 4.746 -0.319) 5.032 37.810 ( 0.184 -10.238 -10.160) 14.425 38.422 ( 3.291 8.647 2.896) 9.695 38.602 ( 2.326 -0.359 0.918) 2.527 ======================= Grid point 109 (59/64) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 1.761 -3.422 -1.175) 4.024 1.238 ( 1.761 3.422 -1.175) 4.024 1.351 ( -1.268 -0.461 -2.906) 3.204 1.351 ( -1.268 0.461 -2.906) 3.204 1.535 ( 3.590 -8.294 -3.898) 9.843 1.535 ( 3.590 8.294 -3.898) 9.843 1.613 ( 0.050 -0.576 -2.230) 2.304 1.613 ( 0.050 0.576 -2.230) 2.304 1.766 ( -0.561 -0.771 -0.523) 1.088 1.766 ( -0.561 0.771 -0.523) 1.088 2.105 ( -3.001 -3.517 4.425) 6.400 2.105 ( -3.001 3.517 4.425) 6.400 2.172 ( 1.032 -1.385 -0.142) 1.733 2.172 ( 1.032 1.385 -0.142) 1.733 2.251 ( 1.261 -4.135 -0.196) 4.328 2.251 ( 1.261 4.135 -0.196) 4.328 2.437 ( 2.547 -2.051 -4.523) 5.582 2.437 ( 2.547 2.051 -4.523) 5.582 2.692 ( -3.896 -1.886 -3.003) 5.269 2.692 ( -3.896 1.886 -3.003) 5.269 2.848 ( 4.991 -3.351 -0.244) 6.017 2.848 ( 4.991 3.351 -0.244) 6.017 3.004 ( -1.215 -2.308 -3.244) 4.163 3.004 ( -1.215 2.308 -3.244) 4.163 3.129 ( -3.695 -2.659 4.646) 6.505 3.129 ( -3.695 2.659 4.646) 6.505 3.437 ( 1.905 -3.758 2.432) 4.865 3.437 ( 1.905 3.758 2.432) 4.865 3.696 ( -1.512 -7.350 1.042) 7.576 3.696 ( -1.512 7.350 1.042) 7.576 3.709 ( -2.564 -5.820 0.362) 6.370 3.709 ( -2.564 5.820 0.362) 6.370 3.853 ( 0.359 -5.524 -1.479) 5.730 3.853 ( 0.359 5.524 -1.479) 5.730 4.186 ( -0.105 -0.438 10.827) 10.836 4.186 ( -0.105 0.438 10.827) 10.836 4.259 ( -0.050 -2.639 2.168) 3.416 4.259 ( -0.050 2.639 2.168) 3.416 4.415 ( -1.665 -1.862 -9.817) 10.130 4.415 ( -1.665 1.862 -9.817) 10.130 4.503 ( -0.761 -1.609 -2.559) 3.117 4.503 ( -0.761 1.609 -2.559) 3.117 4.693 ( 0.344 -1.801 0.005) 1.834 4.693 ( 0.344 1.801 0.005) 1.834 4.903 ( -0.072 -3.224 -0.431) 3.253 4.903 ( -0.072 3.224 -0.431) 3.253 4.957 ( -0.198 -4.278 -1.146) 4.433 4.957 ( -0.198 4.278 -1.146) 4.433 5.154 ( -2.927 -7.085 3.992) 8.643 5.154 ( -2.927 7.085 3.992) 8.643 5.235 ( 1.658 -6.022 -1.013) 6.328 5.235 ( 1.658 6.022 -1.013) 6.328 5.337 ( 4.368 -3.249 -6.394) 8.397 5.337 ( 4.368 3.249 -6.394) 8.397 5.515 ( -0.145 -2.256 2.380) 3.282 5.515 ( -0.145 2.256 2.380) 3.282 5.734 ( -0.617 -1.947 2.260) 3.046 5.734 ( -0.617 1.947 2.260) 3.046 5.889 ( 2.013 -3.475 -3.838) 5.555 5.889 ( 2.013 3.475 -3.838) 5.555 5.970 ( -2.842 -2.870 0.049) 4.040 5.970 ( -2.842 2.870 0.049) 4.040 6.309 ( 2.603 -0.883 0.161) 2.753 6.309 ( 2.603 0.883 0.161) 2.753 6.531 ( 0.406 -2.405 -2.037) 3.177 6.531 ( 0.406 2.405 -2.037) 3.177 6.572 ( -0.280 -0.144 -0.866) 0.921 6.572 ( -0.280 0.144 -0.866) 0.921 6.897 ( 0.191 -0.661 4.928) 4.976 6.897 ( 0.191 0.661 4.928) 4.976 7.209 ( -2.549 -1.377 1.508) 3.266 7.209 ( -2.549 1.377 1.508) 3.266 7.504 ( -1.915 -4.502 3.584) 6.065 7.504 ( -1.915 4.502 3.584) 6.065 7.583 ( 2.135 -5.004 -4.832) 7.276 7.583 ( 2.135 5.004 -4.832) 7.276 8.036 ( -1.983 -5.218 2.927) 6.303 8.036 ( -1.983 5.218 2.927) 6.303 8.104 ( 2.319 -5.579 -2.221) 6.437 8.104 ( 2.319 5.579 -2.221) 6.437 8.544 ( 0.459 -0.313 0.296) 0.630 8.544 ( 0.459 0.313 0.296) 0.630 8.577 ( -0.366 -0.461 -0.435) 0.732 8.577 ( -0.366 0.461 -0.435) 0.732 8.696 ( -0.520 -0.928 2.406) 2.631 8.696 ( -0.520 0.928 2.406) 2.631 8.751 ( 1.118 -1.004 -2.346) 2.786 8.751 ( 1.118 1.004 -2.346) 2.786 9.214 ( 0.213 -0.507 0.145) 0.569 9.214 ( 0.213 0.507 0.145) 0.569 9.319 ( -0.232 -0.735 -0.197) 0.795 9.319 ( -0.232 0.735 -0.197) 0.795 9.630 ( -0.709 -2.971 1.315) 3.326 9.630 ( -0.709 2.971 1.315) 3.326 9.835 ( 1.677 -3.649 -2.968) 4.994 9.835 ( 1.677 3.649 -2.968) 4.994 10.455 ( -2.525 -3.400 3.917) 5.769 10.455 ( -2.525 3.400 3.917) 5.769 10.588 ( 1.702 -3.923 -4.423) 6.153 10.588 ( 1.702 3.923 -4.423) 6.153 11.193 ( 0.355 -0.866 0.043) 0.937 11.193 ( 0.355 0.866 0.043) 0.937 11.306 ( 0.103 -0.623 0.389) 0.742 11.306 ( 0.103 0.623 0.389) 0.742 11.377 ( 0.140 -1.085 -0.231) 1.118 11.377 ( 0.140 1.085 -0.231) 1.118 11.579 ( -0.444 -0.139 0.706) 0.845 11.579 ( -0.444 0.139 0.706) 0.845 11.969 ( -1.959 -0.340 3.046) 3.637 11.969 ( -1.959 0.340 3.046) 3.637 12.019 ( 2.032 -0.389 -2.151) 2.985 12.019 ( 2.032 0.389 -2.151) 2.985 12.477 ( -0.640 -2.453 2.250) 3.390 12.477 ( -0.640 2.453 2.250) 3.390 12.533 ( 0.676 -1.710 0.659) 1.953 12.533 ( 0.676 1.710 0.659) 1.953 13.161 ( -2.056 -1.727 5.422) 6.050 13.161 ( -2.056 1.727 5.422) 6.050 13.318 ( -0.905 -1.442 1.366) 2.183 13.318 ( -0.905 1.442 1.366) 2.183 13.415 ( -1.043 -2.913 2.161) 3.774 13.415 ( -1.043 2.913 2.161) 3.774 13.674 ( 6.458 -1.687 -11.288) 13.114 13.674 ( 6.458 1.687 -11.288) 13.114 14.203 ( -1.287 -1.161 3.830) 4.204 14.203 ( -1.287 1.161 3.830) 4.204 14.267 ( -0.565 -0.772 -2.287) 2.479 14.267 ( -0.565 0.772 -2.287) 2.479 14.446 ( -1.524 -1.295 0.197) 2.010 14.446 ( -1.524 1.295 0.197) 2.010 14.779 ( 0.509 -1.538 -0.632) 1.739 14.779 ( 0.509 1.538 -0.632) 1.739 15.164 ( 0.267 -3.790 2.540) 4.570 15.164 ( 0.267 3.790 2.540) 4.570 15.278 ( 0.468 -2.107 -4.854) 5.313 15.278 ( 0.468 2.107 -4.854) 5.313 15.492 ( -0.844 -1.027 -0.194) 1.343 15.492 ( -0.844 1.027 -0.194) 1.343 15.825 ( -0.058 -1.413 1.521) 2.077 15.825 ( -0.058 1.413 1.521) 2.077 15.999 ( -4.583 -2.121 5.067) 7.154 15.999 ( -4.583 2.121 5.067) 7.154 16.149 ( 5.305 -2.101 -6.170) 8.404 16.149 ( 5.305 2.101 -6.170) 8.404 16.668 ( -6.072 -2.781 6.800) 9.532 16.668 ( -6.072 2.781 6.800) 9.532 16.793 ( 6.089 -2.348 -6.264) 9.046 16.793 ( 6.089 2.348 -6.264) 9.046 17.454 ( -0.164 -0.304 -0.022) 0.346 17.454 ( -0.164 0.304 -0.022) 0.346 17.520 ( 0.040 -0.621 0.517) 0.809 17.520 ( 0.040 0.621 0.517) 0.809 20.518 ( -0.280 -0.740 0.234) 0.825 20.518 ( -0.280 0.740 0.234) 0.825 20.678 ( 0.079 -0.411 -0.579) 0.714 20.678 ( 0.079 0.411 -0.579) 0.714 20.910 ( 0.218 -2.305 3.492) 4.190 20.910 ( 0.218 2.305 3.492) 4.190 20.970 ( -1.692 -3.558 -1.683) 4.284 20.970 ( -1.692 3.558 -1.683) 4.284 21.307 ( -0.566 -0.753 1.613) 1.867 21.307 ( -0.566 0.753 1.613) 1.867 21.448 ( 1.621 -0.942 -3.187) 3.698 21.448 ( 1.621 0.942 -3.187) 3.698 23.088 ( -1.556 -1.798 3.972) 4.630 23.088 ( -1.556 1.798 3.972) 4.630 23.195 ( 1.665 -1.643 -3.452) 4.170 23.195 ( 1.665 1.643 -3.452) 4.170 25.094 ( -11.113 -3.751 15.589) 19.509 25.094 ( -11.113 3.751 15.589) 19.509 25.472 ( 13.553 -4.238 -19.515) 24.134 25.472 ( 13.553 4.238 -19.515) 24.134 27.278 ( -6.734 -3.409 6.705) 10.096 27.278 ( -6.734 3.409 6.705) 10.096 27.979 ( 5.145 -1.091 -2.847) 5.980 27.979 ( 5.145 1.091 -2.847) 5.980 29.061 ( -2.171 -2.039 1.246) 3.228 29.061 ( -2.171 2.039 1.246) 3.228 29.477 ( 1.623 -1.437 -0.562) 2.239 29.477 ( 1.623 1.437 -0.562) 2.239 30.227 ( -1.956 -0.555 2.352) 3.109 30.227 ( -1.956 0.555 2.352) 3.109 30.288 ( 2.344 -0.527 -2.045) 3.155 30.288 ( 2.344 0.527 -2.045) 3.155 31.254 ( -0.498 -2.573 2.117) 3.369 31.254 ( -0.498 2.573 2.117) 3.369 31.318 ( 0.101 -3.707 -3.044) 4.797 31.318 ( 0.101 3.707 -3.044) 4.797 31.786 ( -3.930 -1.441 6.851) 8.028 31.786 ( -3.930 1.441 6.851) 8.028 32.000 ( 5.709 -1.122 -7.652) 9.612 32.000 ( 5.709 1.122 -7.652) 9.612 32.848 ( -6.855 -2.215 11.262) 13.369 32.848 ( -6.855 2.215 11.262) 13.369 33.067 ( 6.564 -2.628 -9.266) 11.656 33.067 ( 6.564 2.628 -9.266) 11.656 33.588 ( -1.426 -1.866 2.775) 3.636 33.588 ( -1.426 1.866 2.775) 3.636 33.974 ( 0.524 -3.808 -2.675) 4.683 33.974 ( 0.524 3.808 -2.675) 4.683 35.650 ( -2.335 -0.667 2.769) 3.683 35.650 ( -2.335 0.667 2.769) 3.683 35.718 ( 2.853 -1.744 -4.047) 5.250 35.718 ( 2.853 1.744 -4.047) 5.250 36.104 ( -2.021 -4.610 2.985) 5.852 36.104 ( -2.021 4.610 2.985) 5.852 36.153 ( 2.968 -4.079 -1.834) 5.367 36.153 ( 2.968 4.079 -1.834) 5.367 36.304 ( -0.816 -1.154 1.565) 2.109 36.304 ( -0.816 1.154 1.565) 2.109 36.458 ( -0.620 -0.818 -0.845) 1.330 36.458 ( -0.620 0.818 -0.845) 1.330 37.580 ( -0.821 -4.483 -2.650) 5.272 37.580 ( -0.821 4.483 -2.650) 5.272 38.592 ( -0.093 -2.244 1.165) 2.530 38.592 ( -0.093 2.244 1.165) 2.530 ======================= Grid point 111 (60/64) ======================= q-point: ( 0.17 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -1.895 -4.265 -3.076) 5.590 1.210 ( -1.895 4.265 -3.076) 5.590 1.343 ( 0.414 -1.205 2.225) 2.564 1.343 ( 0.414 1.205 2.225) 2.564 1.524 ( 2.004 -3.225 -3.825) 5.389 1.524 ( 2.004 3.225 -3.825) 5.389 1.609 ( -0.016 -2.489 -0.239) 2.500 1.609 ( -0.016 2.489 -0.239) 2.500 1.763 ( 0.300 -1.501 0.869) 1.760 1.763 ( 0.300 1.501 0.869) 1.760 2.117 ( -2.525 -5.805 3.925) 7.448 2.117 ( -2.525 5.805 3.925) 7.448 2.174 ( -0.054 -2.657 -2.402) 3.582 2.174 ( -0.054 2.657 -2.402) 3.582 2.206 ( -3.613 -1.760 -1.140) 4.177 2.206 ( -3.613 1.760 -1.140) 4.177 2.422 ( 1.562 -3.740 -3.483) 5.344 2.422 ( 1.562 3.740 -3.483) 5.344 2.635 ( -3.704 -6.746 3.189) 8.331 2.635 ( -3.704 6.746 3.189) 8.331 2.873 ( 0.490 -2.829 -1.500) 3.239 2.873 ( 0.490 2.829 -1.500) 3.239 2.954 ( -1.453 -4.334 -0.503) 4.598 2.954 ( -1.453 4.334 -0.503) 4.598 3.210 ( 3.396 -6.647 5.702) 9.393 3.210 ( 3.396 6.647 5.702) 9.393 3.451 ( 1.304 -2.355 -4.542) 5.279 3.451 ( 1.304 2.355 -4.542) 5.279 3.590 ( -8.894 -5.480 2.665) 10.781 3.590 ( -8.894 5.480 2.665) 10.781 3.734 ( -0.166 -4.446 1.526) 4.704 3.734 ( -0.166 4.446 1.526) 4.704 3.856 ( 0.180 -6.598 3.478) 7.461 3.856 ( 0.180 6.598 3.478) 7.461 4.136 ( -9.363 -1.417 -4.139) 10.335 4.136 ( -9.363 1.417 -4.139) 10.335 4.255 ( -0.220 -7.045 5.823) 9.143 4.255 ( -0.220 7.045 5.823) 9.143 4.385 ( -1.032 -3.883 -1.938) 4.461 4.385 ( -1.032 3.883 -1.938) 4.461 4.514 ( 2.659 -1.904 3.846) 5.049 4.514 ( 2.659 1.904 3.846) 5.049 4.717 ( 1.564 -5.624 0.317) 5.846 4.717 ( 1.564 5.624 0.317) 5.846 4.906 ( 0.363 -1.997 -0.299) 2.051 4.906 ( 0.363 1.997 -0.299) 2.051 4.969 ( 0.303 -5.331 0.980) 5.429 4.969 ( 0.303 5.331 0.980) 5.429 5.155 ( -2.726 -6.633 1.323) 7.292 5.155 ( -2.726 6.633 1.323) 7.292 5.225 ( 2.003 -8.400 -2.701) 9.048 5.225 ( 2.003 8.400 -2.701) 9.048 5.346 ( 5.275 -3.987 -4.439) 7.964 5.346 ( 5.275 3.987 -4.439) 7.964 5.550 ( 2.014 -2.687 -0.355) 3.376 5.550 ( 2.014 2.687 -0.355) 3.376 5.704 ( -4.024 -2.714 3.325) 5.883 5.704 ( -4.024 2.714 3.325) 5.883 5.832 ( -2.352 -4.806 -2.974) 6.121 5.832 ( -2.352 4.806 -2.974) 6.121 6.010 ( 3.497 -3.743 1.437) 5.320 6.010 ( 3.497 3.743 1.437) 5.320 6.379 ( 6.393 -1.851 -3.563) 7.550 6.379 ( 6.393 1.851 -3.563) 7.550 6.486 ( -2.528 -4.562 1.124) 5.336 6.486 ( -2.528 4.562 1.124) 5.336 6.600 ( 1.871 -5.382 -0.264) 5.705 6.600 ( 1.871 5.382 -0.264) 5.705 6.916 ( 0.267 -0.617 -1.067) 1.262 6.916 ( 0.267 0.617 -1.067) 1.262 7.231 ( 1.080 -1.689 4.155) 4.613 7.231 ( 1.080 1.689 4.155) 4.613 7.503 ( -1.626 -4.755 2.164) 5.471 7.503 ( -1.626 4.755 2.164) 5.471 7.574 ( 1.408 -4.516 -2.610) 5.403 7.574 ( 1.408 4.516 -2.610) 5.403 7.989 ( -5.701 -5.224 1.626) 7.901 7.989 ( -5.701 5.224 1.626) 7.901 8.112 ( 1.229 -4.757 -2.374) 5.456 8.112 ( 1.229 4.757 -2.374) 5.456 8.551 ( 0.227 -1.370 -0.408) 1.447 8.551 ( 0.227 1.370 -0.408) 1.447 8.600 ( 2.507 -2.417 0.139) 3.485 8.600 ( 2.507 2.417 0.139) 3.485 8.721 ( 0.368 -1.036 1.817) 2.124 8.721 ( 0.368 1.036 1.817) 2.124 8.755 ( 3.291 -1.310 -2.719) 4.465 8.755 ( 3.291 1.310 -2.719) 4.465 9.208 ( -0.556 -0.645 -0.326) 0.912 9.208 ( -0.556 0.645 -0.326) 0.912 9.311 ( -1.025 -1.115 0.502) 1.596 9.311 ( -1.025 1.115 0.502) 1.596 9.634 ( -0.364 -2.901 0.972) 3.081 9.634 ( -0.364 2.901 0.972) 3.081 9.822 ( 0.533 -1.403 -2.453) 2.875 9.822 ( 0.533 1.403 -2.453) 2.875 10.450 ( -3.459 -3.034 4.307) 6.302 10.450 ( -3.459 3.034 4.307) 6.302 10.567 ( 0.738 -3.660 -2.769) 4.648 10.567 ( 0.738 3.660 -2.769) 4.648 11.202 ( 1.060 -1.476 -0.661) 1.934 11.202 ( 1.060 1.476 -0.661) 1.934 11.288 ( -1.815 -1.098 -0.238) 2.134 11.288 ( -1.815 1.098 -0.238) 2.134 11.400 ( 2.304 -2.560 -0.226) 3.452 11.400 ( 2.304 2.560 -0.226) 3.452 11.584 ( 0.121 -1.149 0.664) 1.333 11.584 ( 0.121 1.149 0.664) 1.333 11.957 ( -2.174 -1.153 1.648) 2.961 11.957 ( -2.174 1.153 1.648) 2.961 12.038 ( 2.479 -1.296 -1.894) 3.378 12.038 ( 2.479 1.296 -1.894) 3.378 12.476 ( -1.418 -3.979 0.633) 4.272 12.476 ( -1.418 3.979 0.633) 4.272 12.540 ( 0.508 -2.506 -1.276) 2.858 12.540 ( 0.508 2.506 -1.276) 2.858 13.177 ( -1.871 -0.684 3.013) 3.612 13.177 ( -1.871 0.684 3.013) 3.612 13.317 ( -0.097 -0.439 0.376) 0.586 13.317 ( -0.097 0.439 0.376) 0.586 13.432 ( -0.898 -2.971 3.450) 4.641 13.432 ( -0.898 2.971 3.450) 4.641 13.643 ( 4.572 -2.968 -10.611) 11.930 13.643 ( 4.572 2.968 -10.611) 11.930 14.198 ( -2.789 -0.957 1.828) 3.469 14.198 ( -2.789 0.957 1.828) 3.469 14.273 ( 1.762 -2.478 1.018) 3.207 14.273 ( 1.762 2.478 1.018) 3.207 14.455 ( 0.699 -3.163 2.828) 4.301 14.455 ( 0.699 3.163 2.828) 4.301 14.785 ( 1.274 -2.217 -1.130) 2.796 14.785 ( 1.274 2.217 -1.130) 2.796 15.191 ( 0.494 -4.097 0.425) 4.148 15.191 ( 0.494 4.097 0.425) 4.148 15.258 ( 1.411 -2.298 -1.127) 2.923 15.258 ( 1.411 2.298 -1.127) 2.923 15.462 ( -3.265 -3.413 1.096) 4.849 15.462 ( -3.265 3.413 1.096) 4.849 15.817 ( -1.788 -2.737 0.024) 3.269 15.817 ( -1.788 2.737 0.024) 3.269 15.975 ( -5.324 -1.444 5.695) 7.928 15.975 ( -5.324 1.444 5.695) 7.928 16.162 ( 4.798 -1.177 -6.598) 8.243 16.162 ( 4.798 1.177 -6.598) 8.243 16.639 ( -5.996 -1.426 6.602) 9.032 16.639 ( -5.996 1.426 6.602) 9.032 16.820 ( 5.483 -2.925 -6.670) 9.116 16.820 ( 5.483 2.925 -6.670) 9.116 17.456 ( 0.242 -0.441 0.294) 0.583 17.456 ( 0.242 0.441 0.294) 0.583 17.523 ( 0.012 -0.410 -0.153) 0.437 17.523 ( 0.012 0.410 -0.153) 0.437 20.524 ( 0.573 -1.478 0.373) 1.628 20.524 ( 0.573 1.478 0.373) 1.628 20.694 ( 2.008 -1.536 -0.031) 2.528 20.694 ( 2.008 1.536 -0.031) 2.528 20.893 ( -3.005 -2.889 -0.729) 4.232 20.893 ( -3.005 2.889 -0.729) 4.232 20.974 ( 0.391 -1.652 2.965) 3.416 20.974 ( 0.391 1.652 2.965) 3.416 21.323 ( 0.396 -1.107 1.345) 1.786 21.323 ( 0.396 1.107 1.345) 1.786 21.442 ( 1.727 -0.345 -2.881) 3.376 21.442 ( 1.727 0.345 -2.881) 3.376 23.093 ( -2.249 -2.903 2.504) 4.444 23.093 ( -2.249 2.903 2.504) 4.444 23.188 ( 1.679 -0.867 -2.733) 3.323 23.188 ( 1.679 0.867 -2.733) 3.323 25.083 ( -10.874 -2.523 15.844) 19.382 25.083 ( -10.874 2.523 15.844) 19.382 25.483 ( 13.565 -6.479 -19.558) 24.668 25.483 ( 13.565 6.479 -19.558) 24.668 27.236 ( -9.241 -3.277 10.380) 14.279 27.236 ( -9.241 3.277 10.380) 14.279 27.962 ( 0.271 -3.442 -8.220) 8.916 27.962 ( 0.271 3.442 -8.220) 8.916 29.077 ( 0.877 -2.196 3.431) 4.167 29.077 ( 0.877 2.196 3.431) 4.167 29.495 ( 2.570 -1.444 -2.570) 3.910 29.495 ( 2.570 1.444 -2.570) 3.910 30.204 ( -2.785 -0.463 1.453) 3.175 30.204 ( -2.785 0.463 1.453) 3.175 30.317 ( 3.316 -1.062 -2.078) 4.055 30.317 ( 3.316 1.062 -2.078) 4.055 31.235 ( -2.461 -1.998 0.667) 3.240 31.235 ( -2.461 1.998 0.667) 3.240 31.325 ( 1.435 -3.482 0.115) 3.768 31.325 ( 1.435 3.482 0.115) 3.768 31.777 ( -4.686 -0.393 5.110) 6.944 31.777 ( -4.686 0.393 5.110) 6.944 32.014 ( 6.121 -1.778 -8.042) 10.262 32.014 ( 6.121 1.778 -8.042) 10.262 32.852 ( -6.877 -1.782 10.262) 12.481 32.852 ( -6.877 1.782 10.262) 12.481 33.066 ( 5.989 -2.760 -10.039) 12.011 33.066 ( 5.989 2.760 -10.039) 12.011 33.620 ( 1.883 -3.902 2.210) 4.863 33.620 ( 1.883 3.902 2.210) 4.863 33.945 ( -1.670 -1.165 -0.659) 2.140 33.945 ( -1.670 1.165 -0.659) 2.140 35.641 ( -2.516 -0.234 3.156) 4.043 35.641 ( -2.516 0.234 3.156) 4.043 35.726 ( 3.187 -1.660 -3.857) 5.272 35.726 ( 3.187 1.660 -3.857) 5.272 36.082 ( -2.323 -4.839 0.402) 5.383 36.082 ( -2.323 4.839 0.402) 5.383 36.198 ( 4.009 -4.791 -2.723) 6.815 36.198 ( 4.009 4.791 -2.723) 6.815 36.310 ( 0.272 -2.689 1.792) 3.243 36.310 ( 0.272 2.689 1.792) 3.243 36.478 ( 2.460 -2.418 1.017) 3.596 36.478 ( 2.460 2.418 1.017) 3.596 37.543 ( -2.811 -3.394 1.985) 4.834 37.543 ( -2.811 3.394 1.985) 4.834 38.577 ( -2.400 -2.173 -0.166) 3.242 38.577 ( -2.400 2.173 -0.166) 3.242 ======================= Grid point 113 (61/64) ======================= q-point: ( 0.33 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 0.581 -3.713 1.235) 3.956 1.175 ( 0.581 3.713 1.235) 3.956 1.373 ( -0.180 -0.215 2.388) 2.404 1.373 ( -0.180 0.215 2.388) 2.404 1.578 ( 3.977 -2.705 1.522) 5.045 1.578 ( 3.977 2.705 1.522) 5.045 1.604 ( 1.037 -4.926 0.903) 5.114 1.604 ( 1.037 4.926 0.903) 5.114 1.749 ( -4.034 -2.234 -1.248) 4.778 1.749 ( -4.034 2.234 -1.248) 4.778 1.988 ( -3.673 -4.446 -9.959) 11.508 1.988 ( -3.673 4.446 -9.959) 11.508 2.086 ( -2.558 -4.041 -2.754) 5.518 2.086 ( -2.558 4.041 -2.754) 5.518 2.228 ( -1.478 -5.317 1.854) 5.821 2.228 ( -1.478 5.317 1.854) 5.821 2.508 ( 5.745 -2.888 6.320) 9.016 2.508 ( 5.745 2.888 6.320) 9.016 2.605 ( -1.568 -2.376 -0.153) 2.851 2.605 ( -1.568 2.376 -0.153) 2.851 2.834 ( -6.107 -3.860 3.783) 8.155 2.834 ( -6.107 3.860 3.783) 8.155 2.978 ( 4.188 -5.887 0.833) 7.273 2.978 ( 4.188 5.887 0.833) 7.273 3.278 ( -1.898 -2.988 0.752) 3.619 3.278 ( -1.898 2.988 0.752) 3.619 3.389 ( 1.826 -1.067 -7.021) 7.332 3.389 ( 1.826 1.067 -7.021) 7.332 3.498 ( -5.914 -2.415 3.641) 7.353 3.498 ( -5.914 2.415 3.641) 7.353 3.758 ( -4.048 -5.769 8.584) 11.106 3.758 ( -4.048 5.769 8.584) 11.106 3.906 ( 0.357 -6.741 -3.222) 7.480 3.906 ( 0.357 6.741 -3.222) 7.480 3.994 ( -1.074 -4.246 0.555) 4.415 3.994 ( -1.074 4.246 0.555) 4.415 4.274 ( -0.082 -4.210 -0.722) 4.272 4.274 ( -0.082 4.210 -0.722) 4.272 4.390 ( -0.532 -2.357 5.224) 5.755 4.390 ( -0.532 2.357 5.224) 5.755 4.587 ( -0.255 -2.467 5.263) 5.818 4.587 ( -0.255 2.467 5.263) 5.818 4.738 ( 0.740 -3.902 -0.446) 3.996 4.738 ( 0.740 3.902 -0.446) 3.996 4.888 ( -1.186 -0.302 -1.099) 1.645 4.888 ( -1.186 0.302 -1.099) 1.645 4.943 ( -6.604 -5.407 4.298) 9.556 4.943 ( -6.604 5.407 4.298) 9.556 5.064 ( 0.893 -3.967 -8.552) 9.470 5.064 ( 0.893 3.967 -8.552) 9.470 5.306 ( 3.811 -2.556 3.245) 5.620 5.306 ( 3.811 2.556 3.245) 5.620 5.414 ( 6.280 -8.776 -2.165) 11.006 5.414 ( 6.280 8.776 -2.165) 11.006 5.567 ( 3.054 -3.795 -4.064) 6.344 5.567 ( 3.054 3.795 -4.064) 6.344 5.675 ( -6.910 -0.232 5.688) 8.953 5.675 ( -6.910 0.232 5.688) 8.953 5.829 ( 6.860 -2.243 -2.912) 7.782 5.829 ( 6.860 2.243 -2.912) 7.782 6.059 ( 0.580 -2.340 1.959) 3.106 6.059 ( 0.580 2.340 1.959) 3.106 6.369 ( -1.925 -1.650 -4.263) 4.960 6.369 ( -1.925 1.650 -4.263) 4.960 6.516 ( 2.155 -0.916 2.414) 3.363 6.516 ( 2.155 0.916 2.414) 3.363 6.595 ( -1.188 -5.252 -0.650) 5.424 6.595 ( -1.188 5.252 -0.650) 5.424 6.939 ( 4.623 -1.492 -1.358) 5.044 6.939 ( 4.623 1.492 -1.358) 5.044 7.277 ( -0.684 -1.485 1.097) 1.969 7.277 ( -0.684 1.485 1.097) 1.969 7.509 ( -0.545 -3.977 2.253) 4.603 7.509 ( -0.545 3.977 2.253) 4.603 7.565 ( 0.290 -2.369 -0.922) 2.558 7.565 ( 0.290 2.369 -0.922) 2.558 7.915 ( -4.363 -3.600 0.793) 5.712 7.915 ( -4.363 3.600 0.793) 5.712 8.095 ( 0.215 -3.083 -2.341) 3.877 8.095 ( 0.215 3.083 -2.341) 3.877 8.545 ( -0.396 -1.691 -0.081) 1.739 8.545 ( -0.396 1.691 -0.081) 1.739 8.628 ( 1.356 -2.976 -1.235) 3.496 8.628 ( 1.356 2.976 -1.235) 3.496 8.748 ( 0.133 -1.841 2.051) 2.759 8.748 ( 0.133 1.841 2.051) 2.759 8.795 ( 4.689 -1.323 -3.055) 5.750 8.795 ( 4.689 1.323 -3.055) 5.750 9.206 ( 0.721 -0.475 0.453) 0.975 9.206 ( 0.721 0.475 0.453) 0.975 9.293 ( -2.042 -1.734 0.739) 2.779 9.293 ( -2.042 1.734 0.739) 2.779 9.636 ( -0.475 -2.460 0.674) 2.594 9.636 ( -0.475 2.460 0.674) 2.594 9.808 ( 0.729 -1.396 -1.837) 2.419 9.808 ( 0.729 1.396 -1.837) 2.419 10.437 ( -3.502 -2.597 3.953) 5.885 10.437 ( -3.502 2.597 3.953) 5.885 10.557 ( 0.862 -2.415 -1.496) 2.968 10.557 ( 0.862 2.415 -1.496) 2.968 11.210 ( 1.135 -1.966 -1.193) 2.565 11.210 ( 1.135 1.966 -1.193) 2.565 11.254 ( -1.659 -0.064 -0.645) 1.781 11.254 ( -1.659 0.064 -0.645) 1.781 11.430 ( 1.534 -2.639 -0.600) 3.110 11.430 ( 1.534 2.639 -0.600) 3.110 11.598 ( 0.443 -1.573 0.975) 1.903 11.598 ( 0.443 1.573 0.975) 1.903 11.941 ( -1.470 -1.745 0.966) 2.478 11.941 ( -1.470 1.745 0.966) 2.478 12.051 ( 1.551 -1.375 -1.917) 2.824 12.051 ( 1.551 1.375 -1.917) 2.824 12.452 ( -1.663 -3.401 0.039) 3.786 12.452 ( -1.663 3.401 0.039) 3.786 12.520 ( -0.078 -2.038 -2.809) 3.471 12.520 ( -0.078 2.038 -2.809) 3.471 13.164 ( -1.729 -0.988 0.441) 2.040 13.164 ( -1.729 0.988 0.441) 2.040 13.317 ( -2.141 -1.110 2.360) 3.375 13.317 ( -2.141 1.110 2.360) 3.375 13.456 ( -0.308 -3.940 2.715) 4.795 13.456 ( -0.308 3.940 2.715) 4.795 13.607 ( 5.164 -3.314 -10.080) 11.801 13.607 ( 5.164 3.314 -10.080) 11.801 14.177 ( -1.923 -1.428 1.635) 2.900 14.177 ( -1.923 1.428 1.635) 2.900 14.317 ( 1.797 -2.064 1.148) 2.967 14.317 ( 1.797 2.064 1.148) 2.967 14.527 ( 1.556 -4.175 6.197) 7.632 14.527 ( 1.556 4.175 6.197) 7.632 14.791 ( 1.851 -3.084 -2.367) 4.306 14.791 ( 1.851 3.084 -2.367) 4.306 15.199 ( 0.418 -3.767 0.493) 3.822 15.199 ( 0.418 3.767 0.493) 3.822 15.286 ( 1.250 -1.891 0.908) 2.441 15.286 ( 1.250 1.891 0.908) 2.441 15.411 ( -3.684 -5.315 0.628) 6.497 15.411 ( -3.684 5.315 0.628) 6.497 15.756 ( -3.295 -4.200 -3.255) 6.252 15.756 ( -3.295 4.200 -3.255) 6.252 15.969 ( -4.054 -2.694 7.893) 9.273 15.969 ( -4.054 2.694 7.893) 9.273 16.165 ( 4.370 -1.751 -6.779) 8.254 16.165 ( 4.370 1.751 -6.779) 8.254 16.624 ( -4.591 -0.616 6.886) 8.299 16.624 ( -4.591 0.616 6.886) 8.299 16.826 ( 4.362 -2.569 -6.987) 8.629 16.826 ( 4.362 2.569 -6.987) 8.629 17.466 ( 0.346 -0.757 0.583) 1.016 17.466 ( 0.346 0.757 0.583) 1.016 17.517 ( -0.189 -0.713 -0.638) 0.976 17.517 ( -0.189 0.713 -0.638) 0.976 20.541 ( 0.803 -1.360 0.378) 1.624 20.541 ( 0.803 1.360 0.378) 1.624 20.725 ( 1.294 -1.157 -0.379) 1.777 20.725 ( 1.294 1.157 -0.379) 1.777 20.845 ( -1.387 -2.444 -0.553) 2.864 20.845 ( -1.387 2.444 -0.553) 2.864 21.010 ( -0.590 -0.807 3.844) 3.972 21.010 ( -0.590 0.807 3.844) 3.972 21.344 ( -0.202 -0.999 2.042) 2.282 21.344 ( -0.202 0.999 2.042) 2.282 21.440 ( 2.360 -0.438 -3.639) 4.359 21.440 ( 2.360 0.438 -3.639) 4.359 23.074 ( -2.215 -3.474 1.274) 4.313 23.074 ( -2.215 3.474 1.274) 4.313 23.191 ( 1.545 -0.647 -1.858) 2.501 23.191 ( 1.545 0.647 -1.858) 2.501 25.084 ( -10.653 -1.365 16.765) 19.911 25.084 ( -10.653 1.365 16.765) 19.911 25.488 ( 13.537 -6.826 -20.646) 25.615 25.488 ( 13.537 6.826 -20.646) 25.615 27.216 ( -9.443 -3.009 14.675) 17.708 27.216 ( -9.443 3.009 14.675) 17.708 27.830 ( -0.511 -3.998 -14.156) 14.719 27.830 ( -0.511 3.998 -14.156) 14.719 29.152 ( 1.528 -3.368 5.797) 6.876 29.152 ( 1.528 3.368 5.797) 6.876 29.499 ( 2.314 -2.314 -4.396) 5.481 29.499 ( 2.314 2.314 -4.396) 5.481 30.175 ( -1.806 -0.421 0.503) 1.921 30.175 ( -1.806 0.421 0.503) 1.921 30.348 ( 2.465 -1.077 -1.026) 2.879 30.348 ( 2.465 1.077 -1.026) 2.879 31.219 ( -0.562 -1.829 1.183) 2.250 31.219 ( -0.562 1.829 1.183) 2.250 31.330 ( -1.122 -3.966 0.006) 4.121 31.330 ( -1.122 3.966 0.006) 4.121 31.759 ( -3.168 -1.734 3.950) 5.352 31.759 ( -3.168 1.734 3.950) 5.352 32.023 ( 5.279 -2.051 -7.478) 9.380 32.023 ( 5.279 2.051 -7.478) 9.380 32.845 ( -6.977 -1.232 9.372) 11.749 32.845 ( -6.977 1.232 9.372) 11.749 33.046 ( 5.176 -1.784 -10.405) 11.757 33.046 ( 5.176 1.784 -10.405) 11.757 33.687 ( 2.975 -5.087 1.847) 6.175 33.687 ( 2.975 5.087 1.847) 6.175 33.912 ( -2.135 -0.788 0.603) 2.354 33.912 ( -2.135 0.788 0.603) 2.354 35.638 ( -2.402 -0.149 3.858) 4.547 35.638 ( -2.402 0.149 3.858) 4.547 35.736 ( 3.474 -1.352 -4.422) 5.784 35.736 ( 3.474 1.352 -4.422) 5.784 36.038 ( -2.364 -3.380 -1.124) 4.276 36.038 ( -2.364 3.380 -1.124) 4.276 36.208 ( 1.509 -2.071 -2.593) 3.646 36.208 ( 1.509 2.071 -2.593) 3.646 36.377 ( 3.711 -2.810 3.134) 5.612 36.377 ( 3.711 2.810 3.134) 5.612 36.522 ( 1.166 -2.620 0.231) 2.877 36.522 ( 1.166 2.620 0.231) 2.877 37.546 ( -1.558 -5.982 5.707) 8.413 37.546 ( -1.558 5.982 5.707) 8.413 38.515 ( -3.342 -4.466 -2.021) 5.933 38.515 ( -3.342 4.466 -2.021) 5.933 ======================= Grid point 115 (62/64) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 4.896 -2.069 6.284) 8.230 1.275 ( 4.896 2.069 6.284) 8.230 1.367 ( -3.339 -1.277 -0.685) 3.640 1.367 ( -3.339 1.277 -0.685) 3.640 1.523 ( -3.997 -2.047 -4.291) 6.211 1.523 ( -3.997 2.047 -4.291) 6.211 1.623 ( 0.783 -0.708 0.742) 1.290 1.623 ( 0.783 0.708 0.742) 1.290 1.777 ( 5.269 -3.574 2.059) 6.691 1.777 ( 5.269 3.574 2.059) 6.691 1.876 ( -0.601 -6.960 -7.480) 10.235 1.876 ( -0.601 6.960 -7.480) 10.235 2.081 ( 0.582 -3.427 4.401) 5.608 2.081 ( 0.582 3.427 4.401) 5.608 2.176 ( -0.565 -4.991 -4.621) 6.825 2.176 ( -0.565 4.991 -4.621) 6.825 2.574 ( -0.388 -2.084 -2.911) 3.601 2.574 ( -0.388 2.084 -2.911) 3.601 2.611 ( 4.393 -1.728 -0.979) 4.821 2.611 ( 4.393 1.728 -0.979) 4.821 2.888 ( 2.046 -3.049 10.053) 10.703 2.888 ( 2.046 3.049 10.053) 10.703 3.038 ( 0.275 -3.516 -0.071) 3.528 3.038 ( 0.275 3.516 -0.071) 3.528 3.194 ( -1.740 -3.508 -5.436) 6.700 3.194 ( -1.740 3.508 -5.436) 6.700 3.344 ( 0.159 -5.583 -4.144) 6.955 3.344 ( 0.159 5.583 -4.144) 6.955 3.539 ( 0.422 -4.393 10.719) 11.592 3.539 ( 0.422 4.393 10.719) 11.592 3.718 ( -3.703 -1.676 -4.227) 5.864 3.718 ( -3.703 1.676 -4.227) 5.864 3.848 ( -7.306 -1.820 8.640) 11.460 3.848 ( -7.306 1.820 8.640) 11.460 4.042 ( 4.617 -5.365 -4.584) 8.433 4.042 ( 4.617 5.365 -4.584) 8.433 4.298 ( 0.408 -3.080 2.608) 4.056 4.298 ( 0.408 3.080 2.608) 4.056 4.411 ( -1.242 -1.110 3.596) 3.963 4.411 ( -1.242 1.110 3.596) 3.963 4.643 ( 1.033 -2.629 3.847) 4.773 4.643 ( 1.033 2.629 3.847) 4.773 4.718 ( -0.624 -2.616 -3.062) 4.075 4.718 ( -0.624 2.616 -3.062) 4.075 4.844 ( -0.199 -1.797 -2.725) 3.270 4.844 ( -0.199 1.797 -2.725) 3.270 4.918 ( -2.937 -2.829 5.936) 7.202 4.918 ( -2.937 2.829 5.936) 7.202 5.045 ( 4.964 -3.366 -5.878) 8.398 5.045 ( 4.964 3.366 -5.878) 8.398 5.369 ( 0.885 -2.922 1.098) 3.244 5.369 ( 0.885 2.922 1.098) 3.244 5.467 ( -0.262 -7.233 0.624) 7.265 5.467 ( -0.262 7.233 0.624) 7.265 5.524 ( -2.700 -8.120 -1.689) 8.723 5.524 ( -2.700 8.120 -1.689) 8.723 5.682 ( 4.093 -1.941 -0.731) 4.589 5.682 ( 4.093 1.941 -0.731) 4.589 5.868 ( 0.601 -1.734 -3.512) 3.962 5.868 ( 0.601 1.734 -3.512) 3.962 6.135 ( 2.970 -0.999 6.250) 6.992 6.135 ( 2.970 0.999 6.250) 6.992 6.255 ( -4.193 -0.378 -5.088) 6.604 6.255 ( -4.193 0.378 -5.088) 6.604 6.551 ( 0.164 -2.076 0.021) 2.083 6.551 ( 0.164 2.076 0.021) 2.083 6.590 ( 0.382 -1.073 0.791) 1.387 6.590 ( 0.382 1.073 0.791) 1.387 7.001 ( 1.677 -1.890 0.117) 2.529 7.001 ( 1.677 1.890 0.117) 2.529 7.223 ( -3.795 -1.190 -0.764) 4.050 7.223 ( -3.795 1.190 -0.764) 4.050 7.520 ( -2.815 -2.485 4.081) 5.545 7.520 ( -2.815 2.485 4.081) 5.545 7.584 ( 3.590 -1.652 -2.021) 4.439 7.584 ( 3.590 1.652 -2.021) 4.439 7.876 ( -0.678 -1.158 0.174) 1.353 7.876 ( -0.678 1.158 0.174) 1.353 8.080 ( 0.635 -0.646 -1.456) 1.715 8.080 ( 0.635 0.646 -1.456) 1.715 8.544 ( 0.122 -0.949 0.215) 0.980 8.544 ( 0.122 0.949 0.215) 0.980 8.622 ( -0.143 -1.045 -1.186) 1.588 8.622 ( -0.143 1.045 -1.186) 1.588 8.755 ( -1.767 -1.470 1.759) 2.894 8.755 ( -1.767 1.470 1.759) 2.894 8.822 ( 2.064 -0.646 -2.810) 3.546 8.822 ( 2.064 0.646 -2.810) 3.546 9.243 ( 1.918 -1.245 1.222) 2.593 9.243 ( 1.918 1.245 1.222) 2.593 9.261 ( -1.824 -1.362 -0.119) 2.280 9.261 ( -1.824 1.362 -0.119) 2.280 9.636 ( -0.511 -1.612 0.781) 1.862 9.636 ( -0.511 1.612 0.781) 1.862 9.806 ( 1.447 -0.614 -1.840) 2.420 9.806 ( 1.447 0.614 -1.840) 2.420 10.428 ( -2.516 -1.990 3.659) 4.866 10.428 ( -2.516 1.990 3.659) 4.866 10.564 ( 2.387 -1.170 -1.998) 3.326 10.564 ( 2.387 1.170 -1.998) 3.326 11.216 ( -0.217 -1.081 -0.258) 1.132 11.216 ( -0.217 1.081 -0.258) 1.132 11.224 ( 0.233 -0.878 -1.097) 1.424 11.224 ( 0.233 0.878 -1.097) 1.424 11.434 ( -0.171 -0.815 -0.432) 0.938 11.434 ( -0.171 0.815 -0.432) 0.938 11.613 ( -0.086 -0.826 0.738) 1.111 11.613 ( -0.086 0.826 0.738) 1.111 11.932 ( -0.943 -1.395 1.230) 2.085 11.932 ( -0.943 1.395 1.230) 2.085 12.048 ( 0.570 -1.179 -1.729) 2.168 12.048 ( 0.570 1.179 -1.729) 2.168 12.432 ( -1.285 -1.550 0.996) 2.247 12.432 ( -1.285 1.550 0.996) 2.247 12.489 ( -0.029 -0.618 -2.129) 2.217 12.489 ( -0.029 0.618 -2.129) 2.217 13.141 ( -1.721 -0.877 0.882) 2.123 13.141 ( -1.721 0.877 0.882) 2.123 13.301 ( -3.324 -1.713 3.739) 5.288 13.301 ( -3.324 1.713 3.739) 5.288 13.471 ( -1.182 -4.005 1.709) 4.512 13.471 ( -1.182 4.005 1.709) 4.512 13.601 ( 7.202 -3.366 -9.741) 12.573 13.601 ( 7.202 3.366 -9.741) 12.573 14.170 ( -1.269 -1.523 1.818) 2.690 14.170 ( -1.269 1.523 1.818) 2.690 14.348 ( 1.129 -2.114 -0.272) 2.412 14.348 ( 1.129 2.114 -0.272) 2.412 14.602 ( -1.857 -2.078 6.235) 6.830 14.602 ( -1.857 2.078 6.235) 6.830 14.798 ( 3.246 -3.620 -4.157) 6.397 14.798 ( 3.246 3.620 -4.157) 6.397 15.193 ( -5.982 -2.469 4.905) 8.120 15.193 ( -5.982 2.469 4.905) 8.120 15.315 ( 5.657 -2.474 -3.378) 7.038 15.315 ( 5.657 2.474 -3.378) 7.038 15.389 ( 0.468 -1.926 0.436) 2.029 15.389 ( 0.468 1.926 0.436) 2.029 15.674 ( -2.020 -2.380 -2.183) 3.809 15.674 ( -2.020 2.380 -2.183) 3.809 16.001 ( -3.316 -3.023 8.377) 9.503 16.001 ( -3.316 3.023 8.377) 9.503 16.156 ( 4.048 -2.424 -7.690) 9.022 16.156 ( 4.048 2.424 -7.690) 9.022 16.635 ( -3.246 -1.304 6.744) 7.597 16.635 ( -3.246 1.304 6.744) 7.597 16.813 ( 3.263 -1.001 -6.788) 7.597 16.813 ( 3.263 1.001 -6.788) 7.597 17.478 ( 0.140 -0.663 0.693) 0.969 17.478 ( 0.140 0.663 0.693) 0.969 17.504 ( -0.364 -0.400 -0.616) 0.820 17.504 ( -0.364 0.400 -0.616) 0.820 20.552 ( -0.193 -0.365 0.417) 0.586 20.552 ( -0.193 0.365 0.417) 0.586 20.725 ( 0.175 -0.982 -0.863) 1.319 20.725 ( 0.175 0.982 -0.863) 1.319 20.837 ( -0.063 -0.958 0.208) 0.982 20.837 ( -0.063 0.958 0.208) 0.982 21.035 ( -1.064 -1.427 3.112) 3.585 21.035 ( -1.064 1.427 3.112) 3.585 21.352 ( -2.348 -0.529 3.012) 3.855 21.352 ( -2.348 0.529 3.012) 3.855 21.442 ( 3.471 -0.700 -4.730) 5.908 21.442 ( 3.471 0.700 -4.730) 5.908 23.055 ( -1.878 -2.648 1.639) 3.637 23.055 ( -1.878 2.648 1.639) 3.637 23.197 ( 1.650 -1.275 -1.906) 2.826 23.197 ( 1.650 1.275 -1.906) 2.826 25.095 ( -10.787 -2.179 17.611) 20.766 25.095 ( -10.787 2.179 17.611) 20.766 25.480 ( 13.677 -4.802 -21.830) 26.205 25.480 ( 13.677 4.802 -21.830) 26.205 27.251 ( -8.064 -1.557 17.900) 19.694 27.251 ( -8.064 1.557 17.900) 19.694 27.688 ( 4.722 -1.110 -15.937) 16.659 27.688 ( 4.722 1.110 -15.937) 16.659 29.227 ( -0.889 -2.803 5.849) 6.547 29.227 ( -0.889 2.803 5.849) 6.547 29.475 ( 1.096 -1.856 -4.966) 5.413 29.475 ( 1.096 1.856 -4.966) 5.413 30.161 ( -0.491 -0.371 0.439) 0.756 30.161 ( -0.491 0.371 0.439) 0.756 30.366 ( 0.515 -0.474 -0.622) 0.936 30.366 ( 0.515 0.474 -0.622) 0.936 31.239 ( 0.846 -2.121 1.411) 2.684 31.239 ( 0.846 2.121 1.411) 2.684 31.300 ( -1.198 -2.643 -0.570) 2.957 31.300 ( -1.198 2.643 -0.570) 2.957 31.757 ( -2.552 -2.010 3.801) 5.000 31.757 ( -2.552 2.010 3.801) 5.000 32.023 ( 4.232 -1.385 -6.839) 8.161 32.023 ( 4.232 1.385 -6.839) 8.161 32.829 ( -7.511 -0.824 9.892) 12.448 32.829 ( -7.511 0.824 9.892) 12.448 33.024 ( 5.928 -1.270 -9.796) 11.521 33.024 ( 5.928 1.270 -9.796) 11.521 33.723 ( -2.322 -3.394 2.468) 4.796 33.723 ( -2.322 3.394 2.468) 4.796 33.908 ( 2.383 -2.603 -0.900) 3.642 33.908 ( 2.383 2.603 -0.900) 3.642 35.645 ( -2.249 -0.192 4.268) 4.828 35.645 ( -2.249 0.192 4.268) 4.828 35.740 ( 3.447 -1.182 -5.454) 6.559 35.740 ( 3.447 1.182 -5.454) 6.559 35.998 ( -1.273 -1.760 0.070) 2.173 35.998 ( -1.273 1.760 0.070) 2.173 36.202 ( 0.372 -0.668 -1.459) 1.648 36.202 ( 0.372 0.668 -1.459) 1.648 36.461 ( 1.247 -2.318 3.035) 4.017 36.461 ( 1.247 2.318 3.035) 4.017 36.509 ( -1.700 -2.192 -1.089) 2.980 36.509 ( -1.700 2.192 -1.089) 2.980 37.604 ( 1.272 -1.848 3.938) 4.532 37.604 ( 1.272 1.848 3.938) 4.532 38.451 ( -1.013 -2.356 -1.565) 3.005 38.451 ( -1.013 2.356 -1.565) 3.005 ======================= Grid point 117 (63/64) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -2.810 -4.089 -3.450) 6.044 1.240 ( -2.810 4.089 -3.450) 6.044 1.396 ( 1.331 -1.599 0.841) 2.244 1.396 ( 1.331 1.599 0.841) 2.244 1.547 ( 3.463 -6.430 3.957) 8.306 1.547 ( 3.463 6.430 3.957) 8.306 1.664 ( -1.153 -6.216 -1.879) 6.596 1.664 ( -1.153 6.216 -1.879) 6.596 1.770 ( 4.535 -6.627 -4.802) 9.356 1.770 ( 4.535 6.627 -4.802) 9.356 1.858 ( 2.312 -3.847 1.076) 4.615 1.858 ( 2.312 3.847 1.076) 4.615 2.076 ( -0.857 -1.623 -1.563) 2.411 2.076 ( -0.857 1.623 -1.563) 2.411 2.212 ( 3.844 -4.250 0.674) 5.770 2.212 ( 3.844 4.250 0.674) 5.770 2.590 ( 3.853 -4.023 -0.503) 5.593 2.590 ( 3.853 4.023 -0.503) 5.593 2.675 ( 6.030 -2.077 -7.311) 9.702 2.675 ( 6.030 2.077 -7.311) 9.702 2.929 ( -3.320 -3.527 -1.170) 4.983 2.929 ( -3.320 3.527 -1.170) 4.983 3.013 ( 1.539 -3.754 -3.305) 5.233 3.013 ( 1.539 3.754 -3.305) 5.233 3.152 ( -1.150 -1.915 5.621) 6.049 3.152 ( -1.150 1.915 5.621) 6.049 3.346 ( 0.919 -6.916 -1.989) 7.254 3.346 ( 0.919 6.916 -1.989) 7.254 3.623 ( 1.217 -0.724 -6.068) 6.231 3.623 ( 1.217 0.724 -6.068) 6.231 3.683 ( 0.627 -5.332 12.082) 13.221 3.683 ( 0.627 5.332 12.082) 13.221 3.848 ( -5.849 -5.143 11.633) 14.000 3.848 ( -5.849 5.143 11.633) 14.000 4.019 ( 0.890 -1.769 -6.570) 6.862 4.019 ( 0.890 1.769 -6.570) 6.862 4.291 ( -1.848 -1.405 -0.031) 2.322 4.291 ( -1.848 1.405 -0.031) 2.322 4.460 ( 3.630 -6.510 -1.778) 7.663 4.460 ( 3.630 6.510 -1.778) 7.663 4.658 ( -1.049 -2.381 -1.436) 2.972 4.658 ( -1.049 2.381 -1.436) 2.972 4.713 ( 1.870 -4.437 0.601) 4.852 4.713 ( 1.870 4.437 0.601) 4.852 4.868 ( 2.020 -3.873 3.607) 5.665 4.868 ( 2.020 3.873 3.607) 5.665 4.923 ( -1.355 -1.074 1.012) 2.003 4.923 ( -1.355 1.074 1.012) 2.003 5.071 ( 6.544 -6.396 -6.308) 11.114 5.071 ( 6.544 6.396 -6.308) 11.114 5.354 ( -5.222 -0.808 1.522) 5.499 5.354 ( -5.222 0.808 1.522) 5.499 5.408 ( -1.955 -4.522 -2.695) 5.615 5.408 ( -1.955 4.522 -2.695) 5.615 5.511 ( -0.349 -7.277 0.600) 7.311 5.511 ( -0.349 7.277 0.600) 7.311 5.714 ( -1.815 -3.287 0.846) 3.849 5.714 ( -1.815 3.287 0.846) 3.849 5.846 ( 3.817 -2.271 -4.832) 6.563 5.846 ( 3.817 2.271 -4.832) 6.563 6.108 ( -3.705 -2.527 -1.616) 4.767 6.108 ( -3.705 2.527 -1.616) 4.767 6.277 ( 1.746 -0.585 3.780) 4.205 6.277 ( 1.746 0.585 3.780) 4.205 6.546 ( -0.677 -2.747 -0.399) 2.858 6.546 ( -0.677 2.747 -0.399) 2.858 6.591 ( 0.166 -2.963 -0.130) 2.970 6.591 ( 0.166 2.963 -0.130) 2.970 6.942 ( -5.946 -2.892 -1.736) 6.836 6.942 ( -5.946 2.892 -1.736) 6.836 7.221 ( -0.893 -1.434 5.321) 5.583 7.221 ( -0.893 1.434 5.321) 5.583 7.508 ( -2.898 -2.404 2.877) 4.739 7.508 ( -2.898 2.404 2.877) 4.739 7.608 ( 3.205 -2.727 -4.356) 6.056 7.608 ( 3.205 2.727 -4.356) 6.056 7.906 ( 3.064 -2.160 1.415) 4.007 7.906 ( 3.064 2.160 1.415) 4.007 8.084 ( 1.393 -1.909 -1.075) 2.596 8.084 ( 1.393 1.909 -1.075) 2.596 8.548 ( 0.333 -1.654 -0.238) 1.704 8.548 ( 0.333 1.654 -0.238) 1.704 8.606 ( -1.163 -1.761 0.429) 2.153 8.606 ( -1.163 1.761 0.429) 2.153 8.738 ( -2.937 -0.843 2.367) 3.865 8.738 ( -2.937 0.843 2.367) 3.865 8.798 ( -1.008 -1.574 -2.720) 3.300 8.798 ( -1.008 1.574 -2.720) 3.300 9.221 ( -1.293 -0.560 -0.858) 1.650 9.221 ( -1.293 0.560 -0.858) 1.650 9.295 ( 2.011 -1.840 0.578) 2.786 9.295 ( 2.011 1.840 0.578) 2.786 9.635 ( -0.703 -1.452 0.835) 1.816 9.635 ( -0.703 1.452 0.835) 1.816 9.815 ( 2.309 -3.555 -2.296) 4.821 9.815 ( 2.309 3.555 -2.296) 4.821 10.434 ( -1.402 -2.414 3.310) 4.330 10.434 ( -1.402 2.414 3.310) 4.330 10.587 ( 3.694 -2.425 -3.481) 5.625 10.587 ( 3.694 2.425 -3.481) 5.625 11.197 ( -0.912 -0.872 0.038) 1.262 11.197 ( -0.912 0.872 0.038) 1.262 11.245 ( 1.859 -0.836 0.159) 2.044 11.245 ( 1.859 0.836 0.159) 2.044 11.420 ( -1.400 -1.684 0.283) 2.208 11.420 ( -1.400 1.684 0.283) 2.208 11.606 ( -1.260 -0.304 0.218) 1.314 11.606 ( -1.260 0.304 0.218) 1.314 11.937 ( -0.408 -0.637 1.706) 1.866 11.937 ( -0.408 0.637 1.706) 1.866 12.036 ( -0.176 -0.794 -0.997) 1.287 12.036 ( -0.176 0.794 -0.997) 1.287 12.433 ( -0.717 -0.970 2.218) 2.525 12.433 ( -0.717 0.970 2.218) 2.525 12.484 ( 0.686 -0.318 0.282) 0.807 12.484 ( 0.686 0.318 0.282) 0.807 13.131 ( -1.885 -1.068 2.714) 3.472 13.131 ( -1.885 1.068 2.714) 3.472 13.299 ( -3.324 -3.084 5.789) 7.353 13.299 ( -3.324 3.084 5.789) 7.353 13.454 ( -1.472 -3.907 -0.369) 4.191 13.454 ( -1.472 3.907 -0.369) 4.191 13.628 ( 8.573 -3.705 -9.451) 13.287 13.628 ( 8.573 3.705 -9.451) 13.287 14.172 ( -0.890 -1.428 1.891) 2.531 14.172 ( -0.890 1.428 1.891) 2.531 14.345 ( -0.065 -2.317 -1.838) 2.959 14.345 ( -0.065 2.317 -1.838) 2.959 14.584 ( -5.260 -2.035 1.785) 5.916 14.584 ( -5.260 2.035 1.785) 5.916 14.796 ( 1.591 -3.907 -3.616) 5.556 14.796 ( 1.591 3.907 -3.616) 5.556 15.145 ( -4.411 -5.127 3.989) 7.852 15.145 ( -4.411 5.127 3.989) 7.852 15.368 ( 2.580 -2.136 -4.099) 5.293 15.368 ( 2.580 2.136 -4.099) 5.293 15.431 ( 5.941 -5.251 -1.545) 8.078 15.431 ( 5.941 5.251 -1.545) 8.078 15.672 ( 1.143 -3.221 3.861) 5.156 15.672 ( 1.143 3.221 3.861) 5.156 16.028 ( -3.771 -2.903 6.842) 8.334 16.028 ( -3.771 2.903 6.842) 8.334 16.134 ( 4.167 -3.177 -8.151) 9.690 16.134 ( 4.167 3.177 -8.151) 9.690 16.658 ( -2.729 -2.178 6.351) 7.248 16.658 ( -2.729 2.178 6.351) 7.248 16.789 ( 2.629 -0.900 -6.260) 6.848 16.789 ( 2.629 0.900 -6.260) 6.848 17.475 ( -0.643 -0.570 -0.312) 0.915 17.475 ( -0.643 0.570 -0.312) 0.915 17.503 ( 0.064 -1.390 0.691) 1.554 17.503 ( 0.064 1.390 0.691) 1.554 20.543 ( -1.108 -1.489 0.241) 1.871 20.543 ( -1.108 1.489 0.241) 1.871 20.721 ( -0.180 -0.782 -0.315) 0.862 20.721 ( -0.180 0.782 -0.315) 0.862 20.837 ( 0.088 -2.040 0.381) 2.077 20.837 ( 0.088 2.040 0.381) 2.077 21.039 ( -1.496 -2.612 1.374) 3.309 21.039 ( -1.496 2.612 1.374) 3.309 21.334 ( -3.131 -1.130 2.278) 4.034 21.334 ( -3.131 1.130 2.278) 4.034 21.450 ( 3.205 -0.619 -4.056) 5.206 21.450 ( 3.205 0.619 -4.056) 5.206 23.051 ( -1.525 -1.872 2.811) 3.705 23.051 ( -1.525 1.872 2.811) 3.705 23.202 ( 1.834 -1.908 -2.377) 3.557 23.202 ( 1.834 1.908 -2.377) 3.557 25.106 ( -11.125 -3.827 17.355) 20.967 25.106 ( -11.125 3.827 17.355) 20.967 25.469 ( 13.840 -2.379 -21.689) 25.838 25.469 ( 13.840 2.379 -21.689) 25.838 27.305 ( -6.291 -3.254 12.012) 13.945 27.305 ( -6.291 3.254 12.012) 13.945 27.690 ( 11.143 -2.529 -6.653) 13.222 27.690 ( 11.143 2.529 -6.653) 13.222 29.221 ( -4.436 -1.515 0.600) 4.726 29.221 ( -4.436 1.515 0.600) 4.726 29.448 ( 0.242 -3.166 -1.030) 3.338 29.448 ( 0.242 3.166 -1.030) 3.338 30.171 ( 0.835 -1.093 0.862) 1.623 30.171 ( 0.835 1.093 0.862) 1.623 30.347 ( -1.790 -0.818 -0.761) 2.110 30.347 ( -1.790 0.818 -0.761) 2.110 31.241 ( -0.134 -1.881 -1.338) 2.312 31.241 ( -0.134 1.881 -1.338) 2.312 31.319 ( 1.887 -3.869 1.626) 4.601 31.319 ( 1.887 3.869 1.626) 4.601 31.754 ( -2.951 -1.651 4.244) 5.426 31.754 ( -2.951 1.651 4.244) 5.426 32.013 ( 3.430 -0.709 -6.536) 7.415 32.013 ( 3.430 0.709 -6.536) 7.415 32.821 ( -7.097 -0.777 10.912) 13.040 32.821 ( -7.097 0.777 10.912) 13.040 33.031 ( 6.729 -1.408 -8.257) 10.744 33.031 ( 6.729 1.408 -8.257) 10.744 33.674 ( -5.915 -1.757 2.464) 6.644 33.674 ( -5.915 1.757 2.464) 6.644 33.952 ( 4.543 -5.312 -2.772) 7.519 33.952 ( 4.543 5.312 -2.772) 7.519 35.653 ( -2.235 -0.147 3.893) 4.492 35.653 ( -2.235 0.147 3.893) 4.492 35.731 ( 3.075 -1.343 -5.770) 6.675 35.731 ( 3.075 1.343 -5.770) 6.675 36.008 ( 0.761 -0.225 2.358) 2.488 36.008 ( 0.761 0.225 2.358) 2.488 36.187 ( -0.791 -2.315 -0.600) 2.519 36.187 ( -0.791 2.315 -0.600) 2.519 36.415 ( -5.587 -1.185 -0.666) 5.750 36.415 ( -5.587 1.185 -0.666) 5.750 36.511 ( -0.345 -2.015 1.162) 2.352 36.511 ( -0.345 2.015 1.162) 2.352 37.640 ( 1.967 -7.805 -2.808) 8.525 37.640 ( 1.967 7.805 -2.808) 8.525 38.471 ( 2.937 -3.064 1.940) 4.667 38.471 ( 2.937 3.064 1.940) 4.667 ======================= Grid point 119 (64/64) ======================= q-point: (-0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 2.596 -5.017 -2.455) 6.159 1.216 ( 2.596 5.017 -2.455) 6.159 1.396 ( 0.201 -0.296 -2.429) 2.455 1.396 ( 0.201 0.296 -2.429) 2.455 1.551 ( -1.110 -10.721 -5.481) 12.092 1.551 ( -1.110 10.721 -5.481) 12.092 1.621 ( 2.081 -3.090 -0.961) 3.847 1.621 ( 2.081 3.090 -0.961) 3.847 1.784 ( -0.829 -2.272 -0.810) 2.550 1.784 ( -0.829 2.272 -0.810) 2.550 2.031 ( 9.277 -3.050 5.391) 11.154 2.031 ( 9.277 3.050 5.391) 11.154 2.089 ( 1.526 -4.329 3.799) 5.958 2.089 ( 1.526 4.329 3.799) 5.958 2.247 ( 0.515 -3.831 -0.658) 3.921 2.247 ( 0.515 3.831 -0.658) 3.921 2.524 ( -2.656 -3.574 -11.796) 12.608 2.524 ( -2.656 3.574 -11.796) 12.608 2.707 ( 8.064 -5.793 -3.774) 10.622 2.707 ( 8.064 5.793 -3.774) 10.622 2.863 ( -7.155 -7.668 -0.099) 10.488 2.863 ( -7.155 7.668 -0.099) 10.488 2.998 ( 4.948 -2.784 -4.870) 7.480 2.998 ( 4.948 2.784 -4.870) 7.480 3.218 ( -8.021 -3.855 6.073) 10.774 3.218 ( -8.021 3.855 6.073) 10.774 3.338 ( 4.790 -6.089 2.153) 8.040 3.338 ( 4.790 6.089 2.153) 8.040 3.633 ( 3.735 -8.029 -0.573) 8.874 3.633 ( 3.735 8.029 -0.573) 8.874 3.796 ( -2.675 -2.641 6.181) 7.234 3.796 ( -2.675 2.641 6.181) 7.234 3.841 ( -1.730 -7.461 -0.239) 7.663 3.841 ( -1.730 7.461 -0.239) 7.663 4.031 ( 4.015 -2.993 4.881) 6.993 4.031 ( 4.015 2.993 4.881) 6.993 4.268 ( -1.144 -4.242 0.193) 4.398 4.268 ( -1.144 4.242 0.193) 4.398 4.464 ( 4.360 -5.334 -7.610) 10.265 4.464 ( 4.360 5.334 -7.610) 10.265 4.604 ( -2.929 -0.825 -4.133) 5.132 4.604 ( -2.929 0.825 -4.133) 5.132 4.715 ( -2.100 -4.320 0.106) 4.805 4.715 ( -2.100 4.320 0.106) 4.805 4.902 ( -2.582 -2.522 4.033) 5.412 4.902 ( -2.582 2.522 4.033) 5.412 4.962 ( 3.245 -0.912 -0.028) 3.371 4.962 ( 3.245 0.912 -0.028) 3.371 5.123 ( 4.684 -1.929 -1.957) 5.430 5.123 ( 4.684 1.929 -1.957) 5.430 5.279 ( -5.863 -3.029 1.055) 6.683 5.279 ( -5.863 3.029 1.055) 6.683 5.333 ( 2.181 -0.385 -7.141) 7.476 5.333 ( 2.181 0.385 -7.141) 7.476 5.516 ( -1.741 -5.058 2.072) 5.737 5.516 ( -1.741 5.058 2.072) 5.737 5.688 ( -1.395 -6.057 4.099) 7.445 5.688 ( -1.395 6.057 4.099) 7.445 5.875 ( 5.911 -2.043 -6.267) 8.854 5.875 ( 5.911 2.043 -6.267) 8.854 6.048 ( -3.203 -1.872 -1.548) 4.020 6.048 ( -3.203 1.872 -1.548) 4.020 6.299 ( -2.777 -1.593 3.501) 4.744 6.299 ( -2.777 1.593 3.501) 4.744 6.524 ( 0.895 -3.130 -2.120) 3.885 6.524 ( 0.895 3.130 -2.120) 3.885 6.606 ( -0.381 -2.704 0.175) 2.736 6.606 ( -0.381 2.704 0.175) 2.736 6.859 ( -3.100 -2.087 2.900) 4.731 6.859 ( -3.100 2.087 2.900) 4.731 7.241 ( -3.219 -0.988 3.560) 4.900 7.241 ( -3.219 0.988 3.560) 4.900 7.497 ( -1.851 -3.772 2.641) 4.963 7.497 ( -1.851 3.772 2.641) 4.963 7.602 ( 2.398 -4.079 -4.974) 6.865 7.602 ( 2.398 4.079 -4.974) 6.865 7.986 ( 3.460 -4.492 2.354) 6.140 7.986 ( 3.460 4.492 2.354) 6.140 8.095 ( 1.351 -4.458 -1.248) 4.823 8.095 ( 1.351 4.458 -1.248) 4.823 8.546 ( -0.512 -1.312 0.015) 1.409 8.546 ( -0.512 1.312 0.015) 1.409 8.594 ( -1.204 -3.226 0.692) 3.512 8.594 ( -1.204 3.226 0.692) 3.512 8.705 ( -3.190 -0.552 1.456) 3.550 8.705 ( -3.190 0.552 1.456) 3.550 8.761 ( -0.080 -0.140 -1.518) 1.527 8.761 ( -0.080 0.140 -1.518) 1.527 9.207 ( 0.230 -0.455 -0.220) 0.555 9.207 ( 0.230 0.455 -0.220) 0.555 9.319 ( 0.735 -1.807 -0.191) 1.960 9.319 ( 0.735 1.807 -0.191) 1.960 9.631 ( -1.008 -2.236 1.122) 2.697 9.631 ( -1.008 2.236 1.122) 2.697 9.830 ( 2.721 -4.916 -2.836) 6.294 9.830 ( 2.721 4.916 -2.836) 6.294 10.448 ( -1.441 -3.311 3.294) 4.888 10.448 ( -1.441 3.311 3.294) 4.888 10.599 ( 3.115 -3.432 -4.723) 6.617 10.599 ( 3.115 3.432 -4.723) 6.617 11.190 ( -0.300 -1.498 0.440) 1.590 11.190 ( -0.300 1.498 0.440) 1.590 11.280 ( 1.844 -0.313 0.513) 1.939 11.280 ( 1.844 0.313 0.513) 1.939 11.396 ( -1.778 -2.833 0.215) 3.352 11.396 ( -1.778 2.833 0.215) 3.352 11.587 ( -1.279 -0.916 0.485) 1.647 11.587 ( -1.279 0.916 0.485) 1.647 11.954 ( -0.280 -0.444 2.318) 2.377 11.954 ( -0.280 0.444 2.318) 2.377 12.023 ( -0.088 -0.357 -0.915) 0.986 12.023 ( -0.088 0.357 -0.915) 0.986 12.454 ( -0.273 -0.713 2.927) 3.025 12.454 ( -0.273 0.713 2.927) 3.025 12.508 ( 0.749 -0.460 1.476) 1.718 12.508 ( 0.749 0.460 1.476) 1.718 13.138 ( -2.107 -1.828 4.712) 5.476 13.138 ( -2.107 1.828 4.712) 5.476 13.311 ( -2.961 -3.317 5.639) 7.181 13.311 ( -2.961 3.317 5.639) 7.181 13.425 ( -0.889 -3.677 -0.908) 3.891 13.425 ( -0.889 3.677 -0.908) 3.891 13.666 ( 8.742 -3.388 -10.363) 13.974 13.666 ( 8.742 3.388 -10.363) 13.974 14.183 ( -0.709 -1.476 2.525) 3.010 14.183 ( -0.709 1.476 2.525) 3.010 14.311 ( -0.987 -1.703 -2.532) 3.207 14.311 ( -0.987 1.703 -2.532) 3.207 14.500 ( -4.518 -3.188 -0.769) 5.583 14.500 ( -4.518 3.188 -0.769) 5.583 14.783 ( 0.192 -2.615 -1.182) 2.876 14.783 ( 0.192 2.615 -1.182) 2.876 15.140 ( -1.118 -4.801 2.938) 5.738 15.140 ( -1.118 4.801 2.938) 5.738 15.331 ( 0.399 -2.728 -5.663) 6.299 15.331 ( 0.399 2.728 -5.663) 6.299 15.489 ( 2.763 -3.596 -1.731) 4.854 15.489 ( 2.763 3.596 -1.731) 4.854 15.769 ( 2.883 -2.159 4.761) 5.970 15.769 ( 2.883 2.159 4.761) 5.970 16.021 ( -4.213 -3.336 4.303) 6.884 16.021 ( -4.213 3.336 4.303) 6.884 16.129 ( 4.875 -3.227 -6.276) 8.577 16.129 ( 4.875 3.227 -6.276) 8.577 16.678 ( -4.046 -3.083 6.960) 8.620 16.678 ( -4.046 3.083 6.960) 8.620 16.774 ( 4.163 -1.724 -6.328) 7.768 16.774 ( 4.163 1.724 -6.328) 7.768 17.462 ( -0.547 -0.507 -0.267) 0.792 17.462 ( -0.547 0.507 -0.267) 0.792 17.512 ( -0.024 -1.357 0.872) 1.613 17.512 ( -0.024 1.357 0.872) 1.613 20.527 ( -0.926 -1.832 0.068) 2.053 20.527 ( -0.926 1.832 0.068) 2.053 20.701 ( -1.495 -0.280 -0.641) 1.651 20.701 ( -1.495 0.280 -0.641) 1.651 20.862 ( 1.328 -2.624 1.982) 3.546 20.862 ( 1.328 2.624 1.982) 3.546 21.015 ( -1.992 -3.402 -0.422) 3.965 21.015 ( -1.992 3.402 -0.422) 3.965 21.310 ( -2.140 -0.927 1.789) 2.940 21.310 ( -2.140 0.927 1.789) 2.940 21.454 ( 2.169 -0.992 -3.502) 4.237 21.454 ( 2.169 0.992 -3.502) 4.237 23.066 ( -1.231 -1.694 3.901) 4.428 23.066 ( -1.231 1.694 3.901) 4.428 23.203 ( 1.783 -1.992 -3.023) 4.036 23.203 ( 1.783 1.992 -3.023) 4.036 25.105 ( -11.215 -4.376 16.243) 20.218 25.105 ( -11.215 4.376 16.243) 20.218 25.465 ( 13.664 -2.162 -20.458) 24.696 25.465 ( 13.664 2.162 -20.458) 24.696 27.305 ( -4.703 -3.824 5.510) 8.191 27.305 ( -4.703 3.824 5.510) 8.191 27.857 ( 10.651 -3.045 0.364) 11.083 27.857 ( 10.651 3.045 0.364) 11.083 29.125 ( -5.242 -2.856 -1.328) 6.116 29.125 ( -5.242 2.856 -1.328) 6.116 29.457 ( 0.437 -3.475 1.031) 3.651 29.457 ( 0.437 3.475 1.031) 3.651 30.204 ( 1.456 -1.483 1.413) 2.513 30.204 ( 1.456 1.483 1.413) 2.513 30.305 ( -1.940 -0.870 -0.737) 2.250 30.305 ( -1.940 0.870 -0.737) 2.250 31.235 ( 0.685 -1.250 -0.214) 1.442 31.235 ( 0.685 1.250 -0.214) 1.442 31.347 ( 0.384 -4.677 -1.003) 4.799 31.347 ( 0.384 4.677 -1.003) 4.799 31.763 ( -2.677 -1.551 6.223) 6.950 31.763 ( -2.677 1.551 6.223) 6.950 31.999 ( 3.872 -1.175 -6.747) 7.867 31.999 ( 3.872 1.175 -6.747) 7.867 32.833 ( -6.500 -1.666 11.508) 13.322 32.833 ( -6.500 1.666 11.508) 13.322 33.054 ( 6.598 -1.758 -8.138) 10.623 33.054 ( 6.598 1.758 -8.138) 10.623 33.610 ( -4.707 -0.300 2.567) 5.370 33.610 ( -4.707 0.300 2.567) 5.370 33.980 ( 2.939 -5.474 -3.501) 7.131 33.980 ( 2.939 5.474 -3.501) 7.131 35.655 ( -2.188 -0.688 3.103) 3.859 35.655 ( -2.188 0.688 3.103) 3.859 35.721 ( 2.806 -1.566 -4.927) 5.882 35.721 ( 2.806 1.566 -4.927) 5.882 36.063 ( 1.699 -1.503 3.269) 3.979 36.063 ( 1.699 1.503 3.269) 3.979 36.164 ( -1.541 -4.551 -0.170) 4.808 36.164 ( -1.541 4.551 -0.170) 4.808 36.327 ( -3.777 -0.444 0.006) 3.803 36.327 ( -3.777 0.444 0.006) 3.803 36.494 ( -1.998 -1.611 -0.394) 2.597 36.494 ( -1.998 1.611 -0.394) 2.597 37.619 ( 1.370 -9.665 -5.294) 11.105 37.619 ( 1.370 9.665 -5.294) 11.105 38.551 ( 2.735 -4.870 2.424) 6.089 38.551 ( 2.735 4.870 2.424) 6.089 =================== 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 3/38880 10.0 27.862 31.366 29.029 0.000 -2.538 0.000 3/38880 20.0 5.586 7.039 6.220 0.000 -0.785 0.000 3/38880 30.0 2.808 3.486 3.197 0.000 -0.410 0.000 3/38880 40.0 1.891 2.302 2.205 0.000 -0.289 0.000 3/38880 50.0 1.453 1.736 1.720 0.000 -0.233 0.000 3/38880 60.0 1.197 1.406 1.427 0.000 -0.200 0.000 3/38880 70.0 1.027 1.190 1.228 0.000 -0.178 0.000 3/38880 80.0 0.905 1.036 1.083 0.000 -0.162 0.000 3/38880 90.0 0.813 0.921 0.973 0.000 -0.150 0.000 3/38880 100.0 0.741 0.831 0.886 0.000 -0.141 0.000 3/38880 110.0 0.683 0.759 0.817 0.000 -0.135 0.000 3/38880 120.0 0.635 0.700 0.761 0.000 -0.130 0.000 3/38880 130.0 0.595 0.650 0.715 0.000 -0.127 0.000 3/38880 140.0 0.561 0.608 0.676 0.000 -0.124 0.000 3/38880 150.0 0.532 0.572 0.644 0.000 -0.123 0.000 3/38880 160.0 0.507 0.540 0.616 0.000 -0.121 0.000 3/38880 170.0 0.486 0.512 0.592 0.000 -0.121 0.000 3/38880 180.0 0.466 0.488 0.572 0.000 -0.121 0.000 3/38880 190.0 0.449 0.466 0.554 0.000 -0.121 0.000 3/38880 200.0 0.434 0.446 0.538 0.000 -0.121 0.000 3/38880 210.0 0.421 0.428 0.524 0.000 -0.122 0.000 3/38880 220.0 0.408 0.412 0.512 0.000 -0.122 0.000 3/38880 230.0 0.397 0.397 0.500 0.000 -0.123 0.000 3/38880 240.0 0.387 0.383 0.490 0.000 -0.123 0.000 3/38880 250.0 0.378 0.371 0.481 0.000 -0.124 0.000 3/38880 260.0 0.369 0.359 0.473 0.000 -0.125 0.000 3/38880 270.0 0.361 0.349 0.465 0.000 -0.125 0.000 3/38880 280.0 0.354 0.339 0.458 0.000 -0.126 0.000 3/38880 290.0 0.347 0.329 0.451 0.000 -0.126 0.000 3/38880 300.0 0.340 0.321 0.445 0.000 -0.127 0.000 3/38880 310.0 0.334 0.313 0.439 0.000 -0.127 0.000 3/38880 320.0 0.328 0.305 0.433 0.000 -0.127 0.000 3/38880 330.0 0.322 0.298 0.428 0.000 -0.127 0.000 3/38880 340.0 0.317 0.291 0.422 0.000 -0.127 0.000 3/38880 350.0 0.312 0.285 0.417 0.000 -0.127 0.000 3/38880 360.0 0.307 0.279 0.412 0.000 -0.127 0.000 3/38880 370.0 0.302 0.273 0.407 0.000 -0.127 0.000 3/38880 380.0 0.298 0.267 0.403 0.000 -0.127 0.000 3/38880 390.0 0.293 0.262 0.398 0.000 -0.127 0.000 3/38880 400.0 0.289 0.257 0.393 0.000 -0.126 0.000 3/38880 410.0 0.285 0.252 0.389 0.000 -0.126 0.000 3/38880 420.0 0.281 0.248 0.385 0.000 -0.125 0.000 3/38880 430.0 0.277 0.243 0.380 0.000 -0.125 0.000 3/38880 440.0 0.273 0.239 0.376 0.000 -0.124 0.000 3/38880 450.0 0.270 0.235 0.372 0.000 -0.124 0.000 3/38880 460.0 0.266 0.231 0.368 0.000 -0.123 0.000 3/38880 470.0 0.262 0.227 0.364 0.000 -0.122 0.000 3/38880 480.0 0.259 0.223 0.360 0.000 -0.121 0.000 3/38880 490.0 0.256 0.220 0.356 0.000 -0.121 0.000 3/38880 500.0 0.252 0.216 0.352 0.000 -0.120 0.000 3/38880 510.0 0.249 0.213 0.348 0.000 -0.119 0.000 3/38880 520.0 0.246 0.210 0.344 0.000 -0.118 0.000 3/38880 530.0 0.243 0.207 0.340 0.000 -0.118 0.000 3/38880 540.0 0.240 0.204 0.337 0.000 -0.117 0.000 3/38880 550.0 0.237 0.201 0.333 0.000 -0.116 0.000 3/38880 560.0 0.234 0.198 0.329 0.000 -0.115 0.000 3/38880 570.0 0.231 0.195 0.326 0.000 -0.114 0.000 3/38880 580.0 0.229 0.192 0.322 0.000 -0.113 0.000 3/38880 590.0 0.226 0.190 0.319 0.000 -0.112 0.000 3/38880 600.0 0.223 0.187 0.316 0.000 -0.111 0.000 3/38880 610.0 0.221 0.185 0.312 0.000 -0.110 0.000 3/38880 620.0 0.218 0.182 0.309 0.000 -0.110 0.000 3/38880 630.0 0.216 0.180 0.306 0.000 -0.109 0.000 3/38880 640.0 0.213 0.178 0.303 0.000 -0.108 0.000 3/38880 650.0 0.211 0.175 0.299 0.000 -0.107 0.000 3/38880 660.0 0.208 0.173 0.296 0.000 -0.106 0.000 3/38880 670.0 0.206 0.171 0.293 0.000 -0.105 0.000 3/38880 680.0 0.204 0.169 0.290 0.000 -0.104 0.000 3/38880 690.0 0.202 0.167 0.287 0.000 -0.103 0.000 3/38880 700.0 0.199 0.165 0.285 0.000 -0.102 0.000 3/38880 710.0 0.197 0.163 0.282 0.000 -0.102 0.000 3/38880 720.0 0.195 0.161 0.279 0.000 -0.101 0.000 3/38880 730.0 0.193 0.159 0.276 0.000 -0.100 0.000 3/38880 740.0 0.191 0.157 0.273 0.000 -0.099 0.000 3/38880 750.0 0.189 0.156 0.271 0.000 -0.098 0.000 3/38880 760.0 0.187 0.154 0.268 0.000 -0.097 0.000 3/38880 770.0 0.185 0.152 0.266 0.000 -0.097 0.000 3/38880 780.0 0.183 0.151 0.263 0.000 -0.096 0.000 3/38880 790.0 0.181 0.149 0.260 0.000 -0.095 0.000 3/38880 800.0 0.180 0.147 0.258 0.000 -0.094 0.000 3/38880 810.0 0.178 0.146 0.256 0.000 -0.093 0.000 3/38880 820.0 0.176 0.144 0.253 0.000 -0.093 0.000 3/38880 830.0 0.174 0.143 0.251 0.000 -0.092 0.000 3/38880 840.0 0.173 0.141 0.248 0.000 -0.091 0.000 3/38880 850.0 0.171 0.140 0.246 0.000 -0.090 0.000 3/38880 860.0 0.169 0.138 0.244 0.000 -0.089 0.000 3/38880 870.0 0.168 0.137 0.242 0.000 -0.089 0.000 3/38880 880.0 0.166 0.136 0.240 0.000 -0.088 0.000 3/38880 890.0 0.165 0.134 0.237 0.000 -0.087 0.000 3/38880 900.0 0.163 0.133 0.235 0.000 -0.087 0.000 3/38880 910.0 0.162 0.132 0.233 0.000 -0.086 0.000 3/38880 920.0 0.160 0.130 0.231 0.000 -0.085 0.000 3/38880 930.0 0.159 0.129 0.229 0.000 -0.084 0.000 3/38880 940.0 0.157 0.128 0.227 0.000 -0.084 0.000 3/38880 950.0 0.156 0.127 0.225 0.000 -0.083 0.000 3/38880 960.0 0.154 0.125 0.223 0.000 -0.082 0.000 3/38880 970.0 0.153 0.124 0.221 0.000 -0.082 0.000 3/38880 980.0 0.152 0.123 0.220 0.000 -0.081 0.000 3/38880 990.0 0.150 0.122 0.218 0.000 -0.081 0.000 3/38880 1000.0 0.149 0.121 0.216 0.000 -0.080 0.000 3/38880 Thermal conductivity related properties were written into "kappa-m665.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:31:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|