----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:58:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.268263890031269 0.000000000000000 0.000000000000000 b 0.000000000000000 13.213071810000004 0.000000000000000 c -7.188325823020060 0.000000000000000 10.074996424525693 Atomic positions (fractional): *1 O 0.35601977991167 0.60948000391481 0.28785733904139 15.999 2 O 0.64398022008833 0.10948000391481 0.21214266095861 15.999 3 O 0.64398022008833 0.39051999608519 0.71214266095861 15.999 4 O 0.35601977991167 0.89051999608519 0.78785733904139 15.999 *5 O 0.08762857106748 0.64510979380833 0.39949252081044 15.999 6 O 0.91237142893252 0.14510979380833 0.10050747918956 15.999 7 O 0.91237142893252 0.35489020619167 0.60050747918956 15.999 8 O 0.08762857106748 0.85489020619167 0.89949252081044 15.999 *9 O 0.81015986310031 0.60699409620144 0.59586475671768 15.999 10 O 0.18984013689969 0.10699409620144 0.90413524328232 15.999 11 O 0.18984013689969 0.39300590379856 0.40413524328232 15.999 12 O 0.81015986310031 0.89300590379856 0.09586475671767 15.999 *13 O 0.90533692973684 0.62228561261989 0.83150173926857 15.999 14 O 0.09466307026316 0.12228561261989 0.66849826073143 15.999 15 O 0.09466307026316 0.37771438738011 0.16849826073143 15.999 16 O 0.90533692973684 0.87771438738011 0.33150173926857 15.999 *17 O 0.47833265715238 0.86624574539193 0.16038486437691 15.999 *18 O 0.19954409196006 0.66441277901352 0.79282392437381 15.999 19 O 0.52166734284762 0.36624574539193 0.33961513562309 15.999 20 O 0.47833265715238 0.63375425460807 0.66038486437691 15.999 *21 O 0.65129878471264 0.52201459388483 0.86627482266935 15.999 22 O 0.34870121528736 0.02201459388483 0.63372517733065 15.999 23 O 0.34870121528736 0.47798540611517 0.13372517733065 15.999 24 O 0.65129878471264 0.97798540611517 0.36627482266935 15.999 *25 O 0.07437489245938 0.01426602976505 0.28750533534124 15.999 26 O 0.92562510754062 0.51426602976505 0.21249466465876 15.999 27 O 0.92562510754062 0.98573397023495 0.71249466465876 15.999 28 O 0.07437489245938 0.48573397023495 0.78750533534124 15.999 *29 O 0.34146609691287 0.83928111015932 0.58291666443900 15.999 30 O 0.65853390308713 0.33928111015932 0.91708333556100 15.999 31 O 0.65853390308713 0.16071888984068 0.41708333556100 15.999 32 O 0.34146609691287 0.66071888984068 0.08291666443900 15.999 *33 O 0.78713583784907 0.81029364623745 0.65498870015401 15.999 34 O 0.21286416215093 0.31029364623745 0.84501129984599 15.999 35 O 0.21286416215093 0.18970635376255 0.34501129984599 15.999 36 O 0.78713583784907 0.68970635376255 0.15498870015401 15.999 *37 O 0.68560066738620 0.79057137276023 0.39739309927428 15.999 38 O 0.31439933261380 0.29057137276023 0.10260690072572 15.999 39 O 0.31439933261380 0.20942862723977 0.60260690072572 15.999 40 O 0.68560066738620 0.70942862723977 0.89739309927428 15.999 *41 O 0.69614681716568 0.91984774666979 0.78826685176187 15.999 42 O 0.30385318283432 0.41984774666979 0.71173314823813 15.999 43 O 0.30385318283432 0.08015225333021 0.21173314823813 15.999 44 O 0.69614681716568 0.58015225333021 0.28826685176187 15.999 45 O 0.19954409196006 0.83558722098648 0.29282392437381 15.999 46 O 0.80045590803994 0.33558722098648 0.20717607562619 15.999 47 O 0.80045590803994 0.16441277901352 0.70717607562619 15.999 48 O 0.52166734284762 0.13375425460807 0.83961513562309 15.999 *49 Na 0.06542874050182 0.72138458685406 0.56586276587563 22.990 50 Na 0.93457125949818 0.22138458685406 0.93413723412437 22.990 51 Na 0.93457125949818 0.27861541314594 0.43413723412437 22.990 52 Na 0.06542874050182 0.77861541314594 0.06586276587563 22.990 *53 P 0.42529341284226 0.58962724437095 0.19698269232357 30.974 54 P 0.57470658715774 0.08962724437095 0.30301730767643 30.974 55 P 0.57470658715774 0.41037275562905 0.80301730767643 30.974 56 P 0.42529341284226 0.91037275562905 0.69698269232357 30.974 *57 P 0.66201099768266 0.62775298954958 0.80589095073551 30.974 58 P 0.33798900231735 0.12775298954958 0.69410904926449 30.974 59 P 0.33798900231735 0.37224701045043 0.19410904926449 30.974 60 P 0.66201099768266 0.87224701045042 0.30589095073551 30.974 *61 P 0.88333080732446 0.61491619179678 0.26577368736724 30.974 62 P 0.11666919267554 0.11491619179678 0.23422631263276 30.974 63 P 0.11666919267554 0.38508380820322 0.73422631263275 30.974 64 P 0.88333080732446 0.88508380820322 0.76577368736725 30.974 *65 P 0.99369618559569 0.59989889612337 0.74200284661627 30.974 66 P 0.00630381440431 0.09989889612337 0.75799715338373 30.974 67 P 0.00630381440431 0.40010110387663 0.25799715338373 30.974 68 P 0.99369618559569 0.90010110387663 0.24200284661627 30.974 *69 La 0.46285071610133 0.78205231838136 0.97673012376659 138.905 70 La 0.53714928389867 0.28205231838136 0.52326987623341 138.905 71 La 0.53714928389867 0.21794768161864 0.02326987623341 138.905 72 La 0.46285071610133 0.71794768161864 0.47673012376659 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.268263890031269 0.000000000000000 0.000000000000000 b 0.000000000000000 13.213071810000004 0.000000000000000 c -7.188325823020060 0.000000000000000 10.074996424525693 Atomic positions (fractional): *1 O 0.35601977991167 0.60948000391481 0.28785733904139 15.999 > 1 2 O 0.64398022008833 0.10948000391481 0.21214266095861 15.999 > 2 3 O 0.64398022008833 0.39051999608519 0.71214266095861 15.999 > 3 4 O 0.35601977991167 0.89051999608519 0.78785733904139 15.999 > 4 *5 O 0.08762857106748 0.64510979380833 0.39949252081044 15.999 > 5 6 O 0.91237142893252 0.14510979380833 0.10050747918956 15.999 > 6 7 O 0.91237142893252 0.35489020619167 0.60050747918956 15.999 > 7 8 O 0.08762857106748 0.85489020619167 0.89949252081044 15.999 > 8 *9 O 0.81015986310031 0.60699409620144 0.59586475671768 15.999 > 9 10 O 0.18984013689969 0.10699409620144 0.90413524328232 15.999 > 10 11 O 0.18984013689969 0.39300590379856 0.40413524328232 15.999 > 11 12 O 0.81015986310031 0.89300590379856 0.09586475671767 15.999 > 12 *13 O 0.90533692973684 0.62228561261989 0.83150173926857 15.999 > 13 14 O 0.09466307026316 0.12228561261989 0.66849826073143 15.999 > 14 15 O 0.09466307026316 0.37771438738011 0.16849826073143 15.999 > 15 16 O 0.90533692973684 0.87771438738011 0.33150173926857 15.999 > 16 *17 O 0.47833265715238 0.86624574539193 0.16038486437691 15.999 > 17 *18 O 0.19954409196006 0.66441277901352 0.79282392437381 15.999 > 18 19 O 0.52166734284762 0.36624574539193 0.33961513562309 15.999 > 19 20 O 0.47833265715238 0.63375425460807 0.66038486437691 15.999 > 20 *21 O 0.65129878471264 0.52201459388483 0.86627482266935 15.999 > 21 22 O 0.34870121528736 0.02201459388483 0.63372517733065 15.999 > 22 23 O 0.34870121528736 0.47798540611517 0.13372517733065 15.999 > 23 24 O 0.65129878471264 0.97798540611517 0.36627482266935 15.999 > 24 *25 O 0.07437489245938 0.01426602976505 0.28750533534124 15.999 > 25 26 O 0.92562510754062 0.51426602976505 0.21249466465876 15.999 > 26 27 O 0.92562510754062 0.98573397023495 0.71249466465876 15.999 > 27 28 O 0.07437489245938 0.48573397023495 0.78750533534124 15.999 > 28 *29 O 0.34146609691287 0.83928111015932 0.58291666443900 15.999 > 29 30 O 0.65853390308713 0.33928111015932 0.91708333556100 15.999 > 30 31 O 0.65853390308713 0.16071888984068 0.41708333556100 15.999 > 31 32 O 0.34146609691287 0.66071888984068 0.08291666443900 15.999 > 32 *33 O 0.78713583784907 0.81029364623745 0.65498870015401 15.999 > 33 34 O 0.21286416215093 0.31029364623745 0.84501129984599 15.999 > 34 35 O 0.21286416215093 0.18970635376255 0.34501129984599 15.999 > 35 36 O 0.78713583784907 0.68970635376255 0.15498870015401 15.999 > 36 *37 O 0.68560066738620 0.79057137276023 0.39739309927428 15.999 > 37 38 O 0.31439933261380 0.29057137276023 0.10260690072572 15.999 > 38 39 O 0.31439933261380 0.20942862723977 0.60260690072572 15.999 > 39 40 O 0.68560066738620 0.70942862723977 0.89739309927428 15.999 > 40 *41 O 0.69614681716568 0.91984774666979 0.78826685176187 15.999 > 41 42 O 0.30385318283432 0.41984774666979 0.71173314823813 15.999 > 42 43 O 0.30385318283432 0.08015225333021 0.21173314823813 15.999 > 43 44 O 0.69614681716568 0.58015225333021 0.28826685176187 15.999 > 44 45 O 0.19954409196006 0.83558722098648 0.29282392437381 15.999 > 45 46 O 0.80045590803994 0.33558722098648 0.20717607562619 15.999 > 46 47 O 0.80045590803994 0.16441277901352 0.70717607562619 15.999 > 47 48 O 0.52166734284762 0.13375425460807 0.83961513562309 15.999 > 48 *49 Na 0.06542874050182 0.72138458685406 0.56586276587563 22.990 > 49 50 Na 0.93457125949818 0.22138458685406 0.93413723412437 22.990 > 50 51 Na 0.93457125949818 0.27861541314594 0.43413723412437 22.990 > 51 52 Na 0.06542874050182 0.77861541314594 0.06586276587563 22.990 > 52 *53 P 0.42529341284226 0.58962724437095 0.19698269232357 30.974 > 53 54 P 0.57470658715774 0.08962724437095 0.30301730767643 30.974 > 54 55 P 0.57470658715774 0.41037275562905 0.80301730767643 30.974 > 55 56 P 0.42529341284226 0.91037275562905 0.69698269232357 30.974 > 56 *57 P 0.66201099768266 0.62775298954958 0.80589095073551 30.974 > 57 58 P 0.33798900231735 0.12775298954958 0.69410904926449 30.974 > 58 59 P 0.33798900231735 0.37224701045043 0.19410904926449 30.974 > 59 60 P 0.66201099768266 0.87224701045042 0.30589095073551 30.974 > 60 *61 P 0.88333080732446 0.61491619179678 0.26577368736724 30.974 > 61 62 P 0.11666919267554 0.11491619179678 0.23422631263276 30.974 > 62 63 P 0.11666919267554 0.38508380820322 0.73422631263275 30.974 > 63 64 P 0.88333080732446 0.88508380820322 0.76577368736725 30.974 > 64 *65 P 0.99369618559569 0.59989889612337 0.74200284661627 30.974 > 65 66 P 0.00630381440431 0.09989889612337 0.75799715338373 30.974 > 66 67 P 0.00630381440431 0.40010110387663 0.25799715338373 30.974 > 67 68 P 0.99369618559569 0.90010110387663 0.24200284661627 30.974 > 68 *69 La 0.46285071610133 0.78205231838136 0.97673012376659 138.905 > 69 70 La 0.53714928389867 0.28205231838136 0.52326987623341 138.905 > 70 71 La 0.53714928389867 0.21794768161864 0.02326987623341 138.905 > 71 72 La 0.46285071610133 0.71794768161864 0.47673012376659 138.905 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.536527780062539 0.000000000000000 0.000000000000000 b 0.000000000000000 13.213071810000004 0.000000000000000 c -7.188325823020060 0.000000000000000 10.074996424525693 Atomic positions (fractional): *1 O 0.17800988995584 0.60948000391481 0.28785733904139 15.999 > 1 2 O 0.67800988995584 0.60948000391481 0.28785733904139 15.999 > 1 3 O 0.32199011004416 0.10948000391481 0.21214266095861 15.999 > 2 4 O 0.82199011004416 0.10948000391481 0.21214266095861 15.999 > 2 5 O 0.32199011004416 0.39051999608519 0.71214266095861 15.999 > 3 6 O 0.82199011004416 0.39051999608519 0.71214266095861 15.999 > 3 7 O 0.17800988995584 0.89051999608519 0.78785733904139 15.999 > 4 8 O 0.67800988995584 0.89051999608519 0.78785733904139 15.999 > 4 *9 O 0.04381428553374 0.64510979380833 0.39949252081044 15.999 > 5 10 O 0.54381428553374 0.64510979380833 0.39949252081044 15.999 > 5 11 O 0.45618571446626 0.14510979380833 0.10050747918956 15.999 > 6 12 O 0.95618571446626 0.14510979380833 0.10050747918956 15.999 > 6 13 O 0.45618571446626 0.35489020619167 0.60050747918956 15.999 > 7 14 O 0.95618571446626 0.35489020619167 0.60050747918956 15.999 > 7 15 O 0.04381428553374 0.85489020619167 0.89949252081044 15.999 > 8 16 O 0.54381428553374 0.85489020619167 0.89949252081044 15.999 > 8 *17 O 0.40507993155015 0.60699409620144 0.59586475671768 15.999 > 9 18 O 0.90507993155015 0.60699409620144 0.59586475671768 15.999 > 9 19 O 0.09492006844985 0.10699409620144 0.90413524328232 15.999 > 10 20 O 0.59492006844985 0.10699409620144 0.90413524328232 15.999 > 10 21 O 0.09492006844985 0.39300590379856 0.40413524328232 15.999 > 11 22 O 0.59492006844985 0.39300590379856 0.40413524328232 15.999 > 11 23 O 0.40507993155015 0.89300590379856 0.09586475671767 15.999 > 12 24 O 0.90507993155015 0.89300590379856 0.09586475671767 15.999 > 12 *25 O 0.45266846486842 0.62228561261989 0.83150173926857 15.999 > 13 26 O 0.95266846486842 0.62228561261989 0.83150173926857 15.999 > 13 27 O 0.04733153513158 0.12228561261989 0.66849826073143 15.999 > 14 28 O 0.54733153513158 0.12228561261989 0.66849826073143 15.999 > 14 29 O 0.04733153513158 0.37771438738011 0.16849826073143 15.999 > 15 30 O 0.54733153513158 0.37771438738011 0.16849826073143 15.999 > 15 31 O 0.45266846486842 0.87771438738011 0.33150173926857 15.999 > 16 32 O 0.95266846486842 0.87771438738011 0.33150173926857 15.999 > 16 *33 O 0.23916632857619 0.86624574539193 0.16038486437691 15.999 > 17 34 O 0.73916632857619 0.86624574539193 0.16038486437691 15.999 > 17 *35 O 0.09977204598003 0.66441277901352 0.79282392437381 15.999 > 18 36 O 0.59977204598003 0.66441277901352 0.79282392437381 15.999 > 18 37 O 0.26083367142381 0.36624574539193 0.33961513562309 15.999 > 19 38 O 0.76083367142381 0.36624574539193 0.33961513562309 15.999 > 19 39 O 0.23916632857619 0.63375425460807 0.66038486437691 15.999 > 20 40 O 0.73916632857619 0.63375425460807 0.66038486437691 15.999 > 20 *41 O 0.32564939235632 0.52201459388483 0.86627482266935 15.999 > 21 42 O 0.82564939235632 0.52201459388483 0.86627482266935 15.999 > 21 43 O 0.17435060764368 0.02201459388483 0.63372517733065 15.999 > 22 44 O 0.67435060764368 0.02201459388483 0.63372517733065 15.999 > 22 45 O 0.17435060764368 0.47798540611517 0.13372517733065 15.999 > 23 46 O 0.67435060764368 0.47798540611517 0.13372517733065 15.999 > 23 47 O 0.32564939235632 0.97798540611517 0.36627482266935 15.999 > 24 48 O 0.82564939235632 0.97798540611517 0.36627482266935 15.999 > 24 *49 O 0.03718744622969 0.01426602976505 0.28750533534124 15.999 > 25 50 O 0.53718744622969 0.01426602976505 0.28750533534124 15.999 > 25 51 O 0.46281255377031 0.51426602976505 0.21249466465876 15.999 > 26 52 O 0.96281255377031 0.51426602976505 0.21249466465876 15.999 > 26 53 O 0.46281255377031 0.98573397023495 0.71249466465876 15.999 > 27 54 O 0.96281255377031 0.98573397023495 0.71249466465876 15.999 > 27 55 O 0.03718744622969 0.48573397023495 0.78750533534124 15.999 > 28 56 O 0.53718744622969 0.48573397023495 0.78750533534124 15.999 > 28 *57 O 0.17073304845643 0.83928111015932 0.58291666443900 15.999 > 29 58 O 0.67073304845643 0.83928111015932 0.58291666443900 15.999 > 29 59 O 0.32926695154357 0.33928111015932 0.91708333556100 15.999 > 30 60 O 0.82926695154357 0.33928111015932 0.91708333556100 15.999 > 30 61 O 0.32926695154357 0.16071888984068 0.41708333556100 15.999 > 31 62 O 0.82926695154357 0.16071888984068 0.41708333556100 15.999 > 31 63 O 0.17073304845643 0.66071888984068 0.08291666443900 15.999 > 32 64 O 0.67073304845643 0.66071888984068 0.08291666443900 15.999 > 32 *65 O 0.39356791892453 0.81029364623745 0.65498870015401 15.999 > 33 66 O 0.89356791892453 0.81029364623745 0.65498870015401 15.999 > 33 67 O 0.10643208107547 0.31029364623745 0.84501129984599 15.999 > 34 68 O 0.60643208107547 0.31029364623745 0.84501129984599 15.999 > 34 69 O 0.10643208107547 0.18970635376255 0.34501129984599 15.999 > 35 70 O 0.60643208107547 0.18970635376255 0.34501129984599 15.999 > 35 71 O 0.39356791892453 0.68970635376255 0.15498870015401 15.999 > 36 72 O 0.89356791892453 0.68970635376255 0.15498870015401 15.999 > 36 *73 O 0.34280033369310 0.79057137276023 0.39739309927428 15.999 > 37 74 O 0.84280033369310 0.79057137276023 0.39739309927428 15.999 > 37 75 O 0.15719966630690 0.29057137276023 0.10260690072572 15.999 > 38 76 O 0.65719966630690 0.29057137276023 0.10260690072572 15.999 > 38 77 O 0.15719966630690 0.20942862723977 0.60260690072572 15.999 > 39 78 O 0.65719966630690 0.20942862723977 0.60260690072572 15.999 > 39 79 O 0.34280033369310 0.70942862723977 0.89739309927428 15.999 > 40 80 O 0.84280033369310 0.70942862723977 0.89739309927428 15.999 > 40 *81 O 0.34807340858284 0.91984774666979 0.78826685176187 15.999 > 41 82 O 0.84807340858284 0.91984774666979 0.78826685176187 15.999 > 41 83 O 0.15192659141716 0.41984774666979 0.71173314823813 15.999 > 42 84 O 0.65192659141716 0.41984774666979 0.71173314823813 15.999 > 42 85 O 0.15192659141716 0.08015225333021 0.21173314823813 15.999 > 43 86 O 0.65192659141716 0.08015225333021 0.21173314823813 15.999 > 43 87 O 0.34807340858284 0.58015225333021 0.28826685176187 15.999 > 44 88 O 0.84807340858284 0.58015225333021 0.28826685176187 15.999 > 44 89 O 0.09977204598003 0.83558722098648 0.29282392437381 15.999 > 45 90 O 0.59977204598003 0.83558722098648 0.29282392437381 15.999 > 45 91 O 0.40022795401997 0.33558722098648 0.20717607562619 15.999 > 46 92 O 0.90022795401997 0.33558722098648 0.20717607562619 15.999 > 46 93 O 0.40022795401997 0.16441277901352 0.70717607562619 15.999 > 47 94 O 0.90022795401997 0.16441277901352 0.70717607562619 15.999 > 47 95 O 0.26083367142381 0.13375425460807 0.83961513562309 15.999 > 48 96 O 0.76083367142381 0.13375425460807 0.83961513562309 15.999 > 48 *97 Na 0.03271437025091 0.72138458685406 0.56586276587563 22.990 > 49 98 Na 0.53271437025091 0.72138458685406 0.56586276587563 22.990 > 49 99 Na 0.46728562974909 0.22138458685406 0.93413723412437 22.990 > 50 100 Na 0.96728562974909 0.22138458685406 0.93413723412437 22.990 > 50 101 Na 0.46728562974909 0.27861541314594 0.43413723412437 22.990 > 51 102 Na 0.96728562974909 0.27861541314594 0.43413723412437 22.990 > 51 103 Na 0.03271437025091 0.77861541314594 0.06586276587563 22.990 > 52 104 Na 0.53271437025091 0.77861541314594 0.06586276587563 22.990 > 52 *105 P 0.21264670642113 0.58962724437095 0.19698269232357 30.974 > 53 106 P 0.71264670642113 0.58962724437095 0.19698269232357 30.974 > 53 107 P 0.28735329357887 0.08962724437095 0.30301730767643 30.974 > 54 108 P 0.78735329357887 0.08962724437095 0.30301730767643 30.974 > 54 109 P 0.28735329357887 0.41037275562905 0.80301730767643 30.974 > 55 110 P 0.78735329357887 0.41037275562905 0.80301730767643 30.974 > 55 111 P 0.21264670642113 0.91037275562905 0.69698269232357 30.974 > 56 112 P 0.71264670642113 0.91037275562905 0.69698269232357 30.974 > 56 *113 P 0.33100549884133 0.62775298954958 0.80589095073551 30.974 > 57 114 P 0.83100549884133 0.62775298954958 0.80589095073551 30.974 > 57 115 P 0.16899450115867 0.12775298954958 0.69410904926449 30.974 > 58 116 P 0.66899450115867 0.12775298954958 0.69410904926449 30.974 > 58 117 P 0.16899450115867 0.37224701045043 0.19410904926449 30.974 > 59 118 P 0.66899450115867 0.37224701045043 0.19410904926449 30.974 > 59 119 P 0.33100549884133 0.87224701045042 0.30589095073551 30.974 > 60 120 P 0.83100549884133 0.87224701045042 0.30589095073551 30.974 > 60 *121 P 0.44166540366223 0.61491619179678 0.26577368736724 30.974 > 61 122 P 0.94166540366223 0.61491619179678 0.26577368736724 30.974 > 61 123 P 0.05833459633777 0.11491619179678 0.23422631263276 30.974 > 62 124 P 0.55833459633777 0.11491619179678 0.23422631263276 30.974 > 62 125 P 0.05833459633777 0.38508380820322 0.73422631263275 30.974 > 63 126 P 0.55833459633777 0.38508380820322 0.73422631263275 30.974 > 63 127 P 0.44166540366223 0.88508380820322 0.76577368736725 30.974 > 64 128 P 0.94166540366223 0.88508380820322 0.76577368736725 30.974 > 64 *129 P 0.49684809279784 0.59989889612337 0.74200284661627 30.974 > 65 130 P 0.99684809279784 0.59989889612337 0.74200284661627 30.974 > 65 131 P 0.00315190720216 0.09989889612337 0.75799715338373 30.974 > 66 132 P 0.50315190720215 0.09989889612337 0.75799715338373 30.974 > 66 133 P 0.00315190720216 0.40010110387663 0.25799715338373 30.974 > 67 134 P 0.50315190720215 0.40010110387663 0.25799715338373 30.974 > 67 135 P 0.49684809279784 0.90010110387663 0.24200284661627 30.974 > 68 136 P 0.99684809279784 0.90010110387663 0.24200284661627 30.974 > 68 *137 La 0.23142535805066 0.78205231838136 0.97673012376659 138.905 > 69 138 La 0.73142535805066 0.78205231838136 0.97673012376659 138.905 > 69 139 La 0.26857464194934 0.28205231838136 0.52326987623341 138.905 > 70 140 La 0.76857464194934 0.28205231838136 0.52326987623341 138.905 > 70 141 La 0.26857464194934 0.21794768161864 0.02326987623341 138.905 > 71 142 La 0.76857464194934 0.21794768161864 0.02326987623341 138.905 > 71 143 La 0.23142535805066 0.71794768161864 0.47673012376659 138.905 > 72 144 La 0.73142535805066 0.71794768161864 0.47673012376659 138.905 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7332834 0.0000000 0.0140277 0.0000000 2.7237559 0.0000000 0.0141070 0.0000000 2.7092907 -------------------------- Born effective charges -------------------------- 1 O -1.6803350 0.2764064 0.7477081 0.3470937 -1.4515909 -0.6388917 0.6839856 -0.4325525 -1.7995771 2 O -1.6803350 -0.2764064 0.7477081 -0.3470937 -1.4515909 0.6388917 0.6839856 0.4325525 -1.7995771 3 O -1.6803350 0.2764064 0.7477081 0.3470937 -1.4515909 -0.6388917 0.6839856 -0.4325525 -1.7995771 4 O -1.6803350 -0.2764064 0.7477081 -0.3470937 -1.4515909 0.6388917 0.6839856 0.4325525 -1.7995771 5 O -1.7275196 -0.2804262 -0.6718955 -0.3440187 -1.3006077 -0.5207543 -0.6383424 -0.3566056 -1.8513039 6 O -1.7275196 0.2804262 -0.6718955 0.3440187 -1.3006077 0.5207543 -0.6383424 0.3566056 -1.8513039 7 O -1.7275196 -0.2804262 -0.6718955 -0.3440187 -1.3006077 -0.5207543 -0.6383424 -0.3566056 -1.8513039 8 O -1.7275196 0.2804262 -0.6718955 0.3440187 -1.3006077 0.5207543 -0.6383424 0.3566056 -1.8513039 9 O -1.3628874 0.2466766 -0.4111173 0.2723570 -1.3459333 0.5384051 -0.5074922 0.3135602 -1.9365480 10 O -1.3628874 -0.2466766 -0.4111173 -0.2723570 -1.3459333 -0.5384051 -0.5074922 -0.3135602 -1.9365480 11 O -1.3628874 0.2466766 -0.4111173 0.2723570 -1.3459333 0.5384051 -0.5074922 0.3135602 -1.9365480 12 O -1.3628874 -0.2466766 -0.4111173 -0.2723570 -1.3459333 -0.5384051 -0.5074922 -0.3135602 -1.9365480 13 O -3.1118237 0.2915669 0.4589610 0.1797285 -0.9728466 0.0254350 0.2813091 -0.1315907 -1.1293493 14 O -3.1118237 -0.2915669 0.4589610 -0.1797285 -0.9728466 -0.0254350 0.2813091 0.1315907 -1.1293493 15 O -3.1118237 0.2915669 0.4589610 0.1797285 -0.9728466 0.0254350 0.2813091 -0.1315907 -1.1293493 16 O -3.1118237 -0.2915669 0.4589610 -0.1797285 -0.9728466 -0.0254350 0.2813091 0.1315907 -1.1293493 17 O -1.2122546 0.0765940 0.1930594 0.1255471 -1.2512870 -0.6584734 0.1841441 -0.2715649 -2.1575314 18 O -1.7104289 -0.5672787 -0.5379572 -0.5348046 -1.6611934 -0.4305952 -0.4980916 -0.5947433 -1.5636951 19 O -1.2122546 -0.0765940 0.1930594 -0.1255471 -1.2512870 0.6584734 0.1841441 0.2715649 -2.1575314 20 O -1.2122546 -0.0765940 0.1930594 -0.1255471 -1.2512870 0.6584734 0.1841441 0.2715649 -2.1575314 21 O -1.0849130 -0.7515123 0.1127757 -0.4148211 -3.2080530 -0.0051954 0.1406916 -0.0198589 -1.0133305 22 O -1.0849130 0.7515123 0.1127757 0.4148211 -3.2080530 0.0051954 0.1406916 0.0198589 -1.0133305 23 O -1.0849130 -0.7515123 0.1127757 -0.4148211 -3.2080530 -0.0051954 0.1406916 -0.0198589 -1.0133305 24 O -1.0849130 0.7515123 0.1127757 0.4148211 -3.2080530 0.0051954 0.1406916 0.0198589 -1.0133305 25 O -1.2937522 -0.9792985 -0.0374244 -0.7807953 -3.3449700 0.0048808 -0.0599016 0.0368052 -0.9081061 26 O -1.2937522 0.9792985 -0.0374244 0.7807953 -3.3449700 -0.0048808 -0.0599016 -0.0368052 -0.9081061 27 O -1.2937522 -0.9792985 -0.0374244 -0.7807953 -3.3449700 0.0048808 -0.0599016 0.0368052 -0.9081061 28 O -1.2937522 0.9792985 -0.0374244 0.7807953 -3.3449700 -0.0048808 -0.0599016 -0.0368052 -0.9081061 29 O -1.3155977 0.3416849 0.2338045 0.3181141 -1.6434938 -0.5971904 0.3636683 -0.7070122 -1.6909656 30 O -1.3155977 -0.3416849 0.2338045 -0.3181141 -1.6434938 0.5971904 0.3636683 0.7070122 -1.6909656 31 O -1.3155977 0.3416849 0.2338045 0.3181141 -1.6434938 -0.5971904 0.3636683 -0.7070122 -1.6909656 32 O -1.3155977 -0.3416849 0.2338045 -0.3181141 -1.6434938 0.5971904 0.3636683 0.7070122 -1.6909656 33 O -1.1831295 -0.1402029 -0.2875963 -0.1564536 -1.7541729 -0.7270961 -0.2834065 -0.7442686 -1.9518788 34 O -1.1831295 0.1402029 -0.2875963 0.1564536 -1.7541729 0.7270961 -0.2834065 0.7442686 -1.9518788 35 O -1.1831295 -0.1402029 -0.2875963 -0.1564536 -1.7541729 -0.7270961 -0.2834065 -0.7442686 -1.9518788 36 O -1.1831295 0.1402029 -0.2875963 0.1564536 -1.7541729 0.7270961 -0.2834065 0.7442686 -1.9518788 37 O -1.6812293 -0.5052176 0.5129570 -0.4429576 -1.6269884 0.4587871 0.4936288 0.6124621 -1.5424392 38 O -1.6812293 0.5052176 0.5129570 0.4429576 -1.6269884 -0.4587871 0.4936288 -0.6124621 -1.5424392 39 O -1.6812293 -0.5052176 0.5129570 -0.4429576 -1.6269884 0.4587871 0.4936288 0.6124621 -1.5424392 40 O -1.6812293 0.5052176 0.5129570 0.4429576 -1.6269884 -0.4587871 0.4936288 -0.6124621 -1.5424392 41 O -3.0902029 0.2784262 -0.5526056 0.2209813 -1.0560752 0.0437002 -0.3559158 -0.1278869 -1.0397426 42 O -3.0902029 -0.2784262 -0.5526056 -0.2209813 -1.0560752 -0.0437002 -0.3559158 0.1278869 -1.0397426 43 O -3.0902029 0.2784262 -0.5526056 0.2209813 -1.0560752 0.0437002 -0.3559158 -0.1278869 -1.0397426 44 O -3.0902029 -0.2784262 -0.5526056 -0.2209813 -1.0560752 -0.0437002 -0.3559158 0.1278869 -1.0397426 45 O -1.7104289 0.5672787 -0.5379572 0.5348046 -1.6611934 0.4305952 -0.4980916 0.5947433 -1.5636951 46 O -1.7104289 -0.5672787 -0.5379572 -0.5348046 -1.6611934 -0.4305952 -0.4980916 -0.5947433 -1.5636951 47 O -1.7104289 0.5672787 -0.5379572 0.5348046 -1.6611934 0.4305952 -0.4980916 0.5947433 -1.5636951 48 O -1.2122546 0.0765940 0.1930594 0.1255471 -1.2512870 -0.6584734 0.1841441 -0.2715649 -2.1575314 49 Na 1.2160790 0.0538921 -0.0326567 -0.0196078 1.0082955 -0.0681437 -0.0076130 -0.0243822 1.2199117 50 Na 1.2160790 -0.0538921 -0.0326567 0.0196078 1.0082955 0.0681437 -0.0076130 0.0243822 1.2199117 51 Na 1.2160790 0.0538921 -0.0326567 -0.0196078 1.0082955 -0.0681437 -0.0076130 -0.0243822 1.2199117 52 Na 1.2160790 -0.0538921 -0.0326567 0.0196078 1.0082955 0.0681437 -0.0076130 0.0243822 1.2199117 53 P 3.7177197 0.4053708 0.2089947 -0.0137139 3.8782742 0.3938938 -0.4912037 -0.3898809 3.0091132 54 P 3.7177197 -0.4053708 0.2089947 0.0137139 3.8782742 -0.3938938 -0.4912037 0.3898809 3.0091132 55 P 3.7177197 0.4053708 0.2089947 -0.0137139 3.8782742 0.3938938 -0.4912037 -0.3898809 3.0091132 56 P 3.7177197 -0.4053708 0.2089947 0.0137139 3.8782742 -0.3938938 -0.4912037 0.3898809 3.0091132 57 P 3.7402065 -0.0556654 -0.4007008 0.1031130 3.8171455 -0.5297113 -0.2071226 0.4036054 3.0811730 58 P 3.7402065 0.0556654 -0.4007008 -0.1031130 3.8171455 0.5297113 -0.2071226 -0.4036054 3.0811730 59 P 3.7402065 -0.0556654 -0.4007008 0.1031130 3.8171455 -0.5297113 -0.2071226 0.4036054 3.0811730 60 P 3.7402065 0.0556654 -0.4007008 -0.1031130 3.8171455 0.5297113 -0.2071226 -0.4036054 3.0811730 61 P 3.8506720 -0.1987478 0.3478381 -0.3568063 4.0460010 0.3879055 0.3965003 -0.2296992 3.1387483 62 P 3.8506720 0.1987478 0.3478381 0.3568063 4.0460010 -0.3879055 0.3965003 0.2296992 3.1387483 63 P 3.8506720 -0.1987478 0.3478381 -0.3568063 4.0460010 0.3879055 0.3965003 -0.2296992 3.1387483 64 P 3.8506720 0.1987478 0.3478381 0.3568063 4.0460010 -0.3879055 0.3965003 0.2296992 3.1387483 65 P 3.7677730 -0.3336433 0.0861981 0.0351528 4.0083966 -0.6385188 0.4307697 0.2309182 3.0127964 66 P 3.7677730 0.3336433 0.0861981 -0.0351528 4.0083966 0.6385188 0.4307697 -0.2309182 3.0127964 67 P 3.7677730 -0.3336433 0.0861981 0.0351528 4.0083966 -0.6385188 0.4307697 0.2309182 3.0127964 68 P 3.7677730 0.3336433 0.0861981 -0.0351528 4.0083966 0.6385188 0.4307697 -0.2309182 3.0127964 69 La 4.1616237 0.2477439 0.0296572 -0.2146257 3.8590995 -0.0921817 0.0743919 -0.1042456 5.1227249 70 La 4.1616237 -0.2477439 0.0296572 0.2146257 3.8590995 0.0921817 0.0743919 0.1042456 5.1227249 71 La 4.1616237 0.2477439 0.0296572 -0.2146257 3.8590995 -0.0921817 0.0743919 -0.1042456 5.1227249 72 La 4.1616237 -0.2477439 0.0296572 0.2146257 3.8590995 0.0921817 0.0743919 0.1042456 5.1227249 ---------------------------------------------------------------------------- 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: 11880 Number of blocks in projector: 11880 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) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 238 eigenvectors found. (2) Block: 500 / 592 (2) 214 eigenvectors found. (2) Block: 592 / 592 (2) 68 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 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) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 238 eigenvectors found. (2) Block: 500 / 592 (2) 214 eigenvectors found. (2) Block: 592 / 592 (2) 68 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 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) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 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: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (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 / 1368 (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: 1368 / 1368 (1) 350 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: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (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 / 1368 (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: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (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 / 1368 (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: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), 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 |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), 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 |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), 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, 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, 31), data: (500, 66) @ (66, 31) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 556), data: False |-- (592, 36), data: (592, 72) @ (72, 36) |-- (92, 68), data: True |-- (250, 214), data: True |-- (250, 238), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 556), data: False |-- (592, 36), data: (592, 72) @ (72, 36) |-- (92, 68), data: True |-- (250, 214), data: True |-- (250, 238), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 2160 - Time: 5.127 Solver_block: 200 / 2160 - Time: 3.869 Solver_block: 300 / 2160 - Time: 7.034 Solver_block: 400 / 2160 - Time: 4.764 Solver_block: 500 / 2160 - Time: 4.242 Solver_block: 600 / 2160 - Time: 4.436 Solver_block: 700 / 2160 - Time: 5.597 Solver_block: 800 / 2160 - Time: 4.366 Solver_block: 900 / 2160 - Time: 4.097 Solver_block: 1000 / 2160 - Time: 4.241 Solver_block: 1100 / 2160 - Time: 5.133 Solver_block: 1200 / 2160 - Time: 3.803 Solver_block: 1300 / 2160 - Time: 3.849 Solver_block: 1400 / 2160 - Time: 3.949 Solver_block: 1500 / 2160 - Time: 3.787 Solver_block: 1600 / 2160 - Time: 3.795 Solver_block: 1700 / 2160 - Time: 4.468 Solver_block: 1800 / 2160 - Time: 4.828 Solver_block: 1900 / 2160 - Time: 5.815 Solver_block: 2000 / 2160 - Time: 4.442 Solver_block: 2100 / 2160 - Time: 4.259 Solver_block: 2160 / 2160 - Time: 2.592 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 101.827 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 11880 Number of blocks in projector: 11880 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) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 238 eigenvectors found. (2) Block: 500 / 592 (2) 214 eigenvectors found. (2) Block: 592 / 592 (2) 68 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 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) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 238 eigenvectors found. (2) Block: 500 / 592 (2) 214 eigenvectors found. (2) Block: 592 / 592 (2) 68 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 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) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 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: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (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 / 1368 (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: 1368 / 1368 (1) 350 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: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (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 / 1368 (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: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (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 / 1368 (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: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), 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 |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), 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 |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), 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, 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, 31), data: (500, 66) @ (66, 31) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 556), data: False |-- (592, 36), data: (592, 72) @ (72, 36) |-- (92, 68), data: True |-- (250, 214), data: True |-- (250, 238), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 556), data: False |-- (592, 36), data: (592, 72) @ (72, 36) |-- (92, 68), data: True |-- (250, 214), data: True |-- (250, 238), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:02:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:02:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.268263890031269 0.000000000000000 0.000000000000000 b 0.000000000000000 13.213071810000004 0.000000000000000 c -7.188325823020060 0.000000000000000 10.074996424525693 Atomic positions (fractional): 1 O 0.35601977991167 0.60948000391481 0.28785733904139 15.999 2 O 0.64398022008833 0.10948000391481 0.21214266095861 15.999 3 O 0.64398022008833 0.39051999608519 0.71214266095861 15.999 4 O 0.35601977991167 0.89051999608519 0.78785733904139 15.999 5 O 0.08762857106748 0.64510979380833 0.39949252081044 15.999 6 O 0.91237142893252 0.14510979380833 0.10050747918956 15.999 7 O 0.91237142893252 0.35489020619167 0.60050747918956 15.999 8 O 0.08762857106748 0.85489020619167 0.89949252081044 15.999 9 O 0.81015986310031 0.60699409620144 0.59586475671768 15.999 10 O 0.18984013689969 0.10699409620144 0.90413524328232 15.999 11 O 0.18984013689969 0.39300590379856 0.40413524328232 15.999 12 O 0.81015986310031 0.89300590379856 0.09586475671767 15.999 13 O 0.90533692973684 0.62228561261989 0.83150173926857 15.999 14 O 0.09466307026316 0.12228561261989 0.66849826073143 15.999 15 O 0.09466307026316 0.37771438738011 0.16849826073143 15.999 16 O 0.90533692973684 0.87771438738011 0.33150173926857 15.999 17 O 0.47833265715238 0.86624574539193 0.16038486437691 15.999 18 O 0.19954409196006 0.66441277901352 0.79282392437381 15.999 19 O 0.52166734284762 0.36624574539193 0.33961513562309 15.999 20 O 0.47833265715238 0.63375425460807 0.66038486437691 15.999 21 O 0.65129878471264 0.52201459388483 0.86627482266935 15.999 22 O 0.34870121528736 0.02201459388483 0.63372517733065 15.999 23 O 0.34870121528736 0.47798540611517 0.13372517733065 15.999 24 O 0.65129878471264 0.97798540611517 0.36627482266935 15.999 25 O 0.07437489245938 0.01426602976505 0.28750533534124 15.999 26 O 0.92562510754062 0.51426602976505 0.21249466465876 15.999 27 O 0.92562510754062 0.98573397023495 0.71249466465876 15.999 28 O 0.07437489245938 0.48573397023495 0.78750533534124 15.999 29 O 0.34146609691287 0.83928111015932 0.58291666443900 15.999 30 O 0.65853390308713 0.33928111015932 0.91708333556100 15.999 31 O 0.65853390308713 0.16071888984068 0.41708333556100 15.999 32 O 0.34146609691287 0.66071888984068 0.08291666443900 15.999 33 O 0.78713583784907 0.81029364623745 0.65498870015401 15.999 34 O 0.21286416215093 0.31029364623745 0.84501129984599 15.999 35 O 0.21286416215093 0.18970635376255 0.34501129984599 15.999 36 O 0.78713583784907 0.68970635376255 0.15498870015401 15.999 37 O 0.68560066738620 0.79057137276023 0.39739309927428 15.999 38 O 0.31439933261380 0.29057137276023 0.10260690072572 15.999 39 O 0.31439933261380 0.20942862723977 0.60260690072572 15.999 40 O 0.68560066738620 0.70942862723977 0.89739309927428 15.999 41 O 0.69614681716568 0.91984774666979 0.78826685176187 15.999 42 O 0.30385318283432 0.41984774666979 0.71173314823813 15.999 43 O 0.30385318283432 0.08015225333021 0.21173314823813 15.999 44 O 0.69614681716568 0.58015225333021 0.28826685176187 15.999 45 O 0.19954409196006 0.83558722098648 0.29282392437381 15.999 46 O 0.80045590803994 0.33558722098648 0.20717607562619 15.999 47 O 0.80045590803994 0.16441277901352 0.70717607562619 15.999 48 O 0.52166734284762 0.13375425460807 0.83961513562309 15.999 49 Na 0.06542874050182 0.72138458685406 0.56586276587563 22.990 50 Na 0.93457125949818 0.22138458685406 0.93413723412437 22.990 51 Na 0.93457125949818 0.27861541314594 0.43413723412437 22.990 52 Na 0.06542874050182 0.77861541314594 0.06586276587563 22.990 53 P 0.42529341284226 0.58962724437095 0.19698269232357 30.974 54 P 0.57470658715774 0.08962724437095 0.30301730767643 30.974 55 P 0.57470658715774 0.41037275562905 0.80301730767643 30.974 56 P 0.42529341284226 0.91037275562905 0.69698269232357 30.974 57 P 0.66201099768266 0.62775298954958 0.80589095073551 30.974 58 P 0.33798900231735 0.12775298954958 0.69410904926449 30.974 59 P 0.33798900231735 0.37224701045043 0.19410904926449 30.974 60 P 0.66201099768266 0.87224701045042 0.30589095073551 30.974 61 P 0.88333080732446 0.61491619179678 0.26577368736724 30.974 62 P 0.11666919267554 0.11491619179678 0.23422631263276 30.974 63 P 0.11666919267554 0.38508380820322 0.73422631263275 30.974 64 P 0.88333080732446 0.88508380820322 0.76577368736725 30.974 65 P 0.99369618559569 0.59989889612337 0.74200284661627 30.974 66 P 0.00630381440431 0.09989889612337 0.75799715338373 30.974 67 P 0.00630381440431 0.40010110387663 0.25799715338373 30.974 68 P 0.99369618559569 0.90010110387663 0.24200284661627 30.974 69 La 0.46285071610133 0.78205231838136 0.97673012376659 138.905 70 La 0.53714928389867 0.28205231838136 0.52326987623341 138.905 71 La 0.53714928389867 0.21794768161864 0.02326987623341 138.905 72 La 0.46285071610133 0.71794768161864 0.47673012376659 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.536527780062539 0.000000000000000 0.000000000000000 b 0.000000000000000 13.213071810000004 0.000000000000000 c -7.188325823020060 0.000000000000000 10.074996424525693 Atomic positions (fractional): 1 O 0.17800988995584 0.60948000391481 0.28785733904139 15.999 > 1 2 O 0.67800988995584 0.60948000391481 0.28785733904139 15.999 > 1 3 O 0.32199011004416 0.10948000391481 0.21214266095861 15.999 > 3 4 O 0.82199011004416 0.10948000391481 0.21214266095861 15.999 > 3 5 O 0.32199011004416 0.39051999608519 0.71214266095861 15.999 > 5 6 O 0.82199011004416 0.39051999608519 0.71214266095861 15.999 > 5 7 O 0.17800988995584 0.89051999608519 0.78785733904139 15.999 > 7 8 O 0.67800988995584 0.89051999608519 0.78785733904139 15.999 > 7 9 O 0.04381428553374 0.64510979380833 0.39949252081044 15.999 > 9 10 O 0.54381428553374 0.64510979380833 0.39949252081044 15.999 > 9 11 O 0.45618571446626 0.14510979380833 0.10050747918956 15.999 > 11 12 O 0.95618571446626 0.14510979380833 0.10050747918956 15.999 > 11 13 O 0.45618571446626 0.35489020619167 0.60050747918956 15.999 > 13 14 O 0.95618571446626 0.35489020619167 0.60050747918956 15.999 > 13 15 O 0.04381428553374 0.85489020619167 0.89949252081044 15.999 > 15 16 O 0.54381428553374 0.85489020619167 0.89949252081044 15.999 > 15 17 O 0.40507993155015 0.60699409620144 0.59586475671768 15.999 > 17 18 O 0.90507993155015 0.60699409620144 0.59586475671768 15.999 > 17 19 O 0.09492006844985 0.10699409620144 0.90413524328232 15.999 > 19 20 O 0.59492006844985 0.10699409620144 0.90413524328232 15.999 > 19 21 O 0.09492006844985 0.39300590379856 0.40413524328232 15.999 > 21 22 O 0.59492006844985 0.39300590379856 0.40413524328232 15.999 > 21 23 O 0.40507993155015 0.89300590379856 0.09586475671767 15.999 > 23 24 O 0.90507993155015 0.89300590379856 0.09586475671767 15.999 > 23 25 O 0.45266846486842 0.62228561261989 0.83150173926857 15.999 > 25 26 O 0.95266846486842 0.62228561261989 0.83150173926857 15.999 > 25 27 O 0.04733153513158 0.12228561261989 0.66849826073143 15.999 > 27 28 O 0.54733153513158 0.12228561261989 0.66849826073143 15.999 > 27 29 O 0.04733153513158 0.37771438738011 0.16849826073143 15.999 > 29 30 O 0.54733153513158 0.37771438738011 0.16849826073143 15.999 > 29 31 O 0.45266846486842 0.87771438738011 0.33150173926857 15.999 > 31 32 O 0.95266846486842 0.87771438738011 0.33150173926857 15.999 > 31 33 O 0.23916632857619 0.86624574539193 0.16038486437691 15.999 > 33 34 O 0.73916632857619 0.86624574539193 0.16038486437691 15.999 > 33 35 O 0.09977204598003 0.66441277901352 0.79282392437381 15.999 > 35 36 O 0.59977204598003 0.66441277901352 0.79282392437381 15.999 > 35 37 O 0.26083367142381 0.36624574539193 0.33961513562309 15.999 > 37 38 O 0.76083367142381 0.36624574539193 0.33961513562309 15.999 > 37 39 O 0.23916632857619 0.63375425460807 0.66038486437691 15.999 > 39 40 O 0.73916632857619 0.63375425460807 0.66038486437691 15.999 > 39 41 O 0.32564939235632 0.52201459388483 0.86627482266935 15.999 > 41 42 O 0.82564939235632 0.52201459388483 0.86627482266935 15.999 > 41 43 O 0.17435060764368 0.02201459388483 0.63372517733065 15.999 > 43 44 O 0.67435060764368 0.02201459388483 0.63372517733065 15.999 > 43 45 O 0.17435060764368 0.47798540611517 0.13372517733065 15.999 > 45 46 O 0.67435060764368 0.47798540611517 0.13372517733065 15.999 > 45 47 O 0.32564939235632 0.97798540611517 0.36627482266935 15.999 > 47 48 O 0.82564939235632 0.97798540611517 0.36627482266935 15.999 > 47 49 O 0.03718744622969 0.01426602976505 0.28750533534124 15.999 > 49 50 O 0.53718744622969 0.01426602976505 0.28750533534124 15.999 > 49 51 O 0.46281255377031 0.51426602976505 0.21249466465876 15.999 > 51 52 O 0.96281255377031 0.51426602976505 0.21249466465876 15.999 > 51 53 O 0.46281255377031 0.98573397023495 0.71249466465876 15.999 > 53 54 O 0.96281255377031 0.98573397023495 0.71249466465876 15.999 > 53 55 O 0.03718744622969 0.48573397023495 0.78750533534124 15.999 > 55 56 O 0.53718744622969 0.48573397023495 0.78750533534124 15.999 > 55 57 O 0.17073304845643 0.83928111015932 0.58291666443900 15.999 > 57 58 O 0.67073304845643 0.83928111015932 0.58291666443900 15.999 > 57 59 O 0.32926695154357 0.33928111015932 0.91708333556100 15.999 > 59 60 O 0.82926695154357 0.33928111015932 0.91708333556100 15.999 > 59 61 O 0.32926695154357 0.16071888984068 0.41708333556100 15.999 > 61 62 O 0.82926695154357 0.16071888984068 0.41708333556100 15.999 > 61 63 O 0.17073304845643 0.66071888984068 0.08291666443900 15.999 > 63 64 O 0.67073304845643 0.66071888984068 0.08291666443900 15.999 > 63 65 O 0.39356791892453 0.81029364623745 0.65498870015401 15.999 > 65 66 O 0.89356791892453 0.81029364623745 0.65498870015401 15.999 > 65 67 O 0.10643208107547 0.31029364623745 0.84501129984599 15.999 > 67 68 O 0.60643208107547 0.31029364623745 0.84501129984599 15.999 > 67 69 O 0.10643208107547 0.18970635376255 0.34501129984599 15.999 > 69 70 O 0.60643208107547 0.18970635376255 0.34501129984599 15.999 > 69 71 O 0.39356791892453 0.68970635376255 0.15498870015401 15.999 > 71 72 O 0.89356791892453 0.68970635376255 0.15498870015401 15.999 > 71 73 O 0.34280033369310 0.79057137276023 0.39739309927428 15.999 > 73 74 O 0.84280033369310 0.79057137276023 0.39739309927428 15.999 > 73 75 O 0.15719966630690 0.29057137276023 0.10260690072572 15.999 > 75 76 O 0.65719966630690 0.29057137276023 0.10260690072572 15.999 > 75 77 O 0.15719966630690 0.20942862723977 0.60260690072572 15.999 > 77 78 O 0.65719966630690 0.20942862723977 0.60260690072572 15.999 > 77 79 O 0.34280033369310 0.70942862723977 0.89739309927428 15.999 > 79 80 O 0.84280033369310 0.70942862723977 0.89739309927428 15.999 > 79 81 O 0.34807340858284 0.91984774666979 0.78826685176187 15.999 > 81 82 O 0.84807340858284 0.91984774666979 0.78826685176187 15.999 > 81 83 O 0.15192659141716 0.41984774666979 0.71173314823813 15.999 > 83 84 O 0.65192659141716 0.41984774666979 0.71173314823813 15.999 > 83 85 O 0.15192659141716 0.08015225333021 0.21173314823813 15.999 > 85 86 O 0.65192659141716 0.08015225333021 0.21173314823813 15.999 > 85 87 O 0.34807340858284 0.58015225333021 0.28826685176187 15.999 > 87 88 O 0.84807340858284 0.58015225333021 0.28826685176187 15.999 > 87 89 O 0.09977204598003 0.83558722098648 0.29282392437381 15.999 > 89 90 O 0.59977204598003 0.83558722098648 0.29282392437381 15.999 > 89 91 O 0.40022795401997 0.33558722098648 0.20717607562619 15.999 > 91 92 O 0.90022795401997 0.33558722098648 0.20717607562619 15.999 > 91 93 O 0.40022795401997 0.16441277901352 0.70717607562619 15.999 > 93 94 O 0.90022795401997 0.16441277901352 0.70717607562619 15.999 > 93 95 O 0.26083367142381 0.13375425460807 0.83961513562309 15.999 > 95 96 O 0.76083367142381 0.13375425460807 0.83961513562309 15.999 > 95 97 Na 0.03271437025091 0.72138458685406 0.56586276587563 22.990 > 97 98 Na 0.53271437025091 0.72138458685406 0.56586276587563 22.990 > 97 99 Na 0.46728562974909 0.22138458685406 0.93413723412437 22.990 > 99 100 Na 0.96728562974909 0.22138458685406 0.93413723412437 22.990 > 99 101 Na 0.46728562974909 0.27861541314594 0.43413723412437 22.990 > 101 102 Na 0.96728562974909 0.27861541314594 0.43413723412437 22.990 > 101 103 Na 0.03271437025091 0.77861541314594 0.06586276587563 22.990 > 103 104 Na 0.53271437025091 0.77861541314594 0.06586276587563 22.990 > 103 105 P 0.21264670642113 0.58962724437095 0.19698269232357 30.974 > 105 106 P 0.71264670642113 0.58962724437095 0.19698269232357 30.974 > 105 107 P 0.28735329357887 0.08962724437095 0.30301730767643 30.974 > 107 108 P 0.78735329357887 0.08962724437095 0.30301730767643 30.974 > 107 109 P 0.28735329357887 0.41037275562905 0.80301730767643 30.974 > 109 110 P 0.78735329357887 0.41037275562905 0.80301730767643 30.974 > 109 111 P 0.21264670642113 0.91037275562905 0.69698269232357 30.974 > 111 112 P 0.71264670642113 0.91037275562905 0.69698269232357 30.974 > 111 113 P 0.33100549884133 0.62775298954958 0.80589095073551 30.974 > 113 114 P 0.83100549884133 0.62775298954958 0.80589095073551 30.974 > 113 115 P 0.16899450115867 0.12775298954958 0.69410904926449 30.974 > 115 116 P 0.66899450115867 0.12775298954958 0.69410904926449 30.974 > 115 117 P 0.16899450115867 0.37224701045043 0.19410904926449 30.974 > 117 118 P 0.66899450115867 0.37224701045043 0.19410904926449 30.974 > 117 119 P 0.33100549884133 0.87224701045042 0.30589095073551 30.974 > 119 120 P 0.83100549884133 0.87224701045042 0.30589095073551 30.974 > 119 121 P 0.44166540366223 0.61491619179678 0.26577368736724 30.974 > 121 122 P 0.94166540366223 0.61491619179678 0.26577368736724 30.974 > 121 123 P 0.05833459633777 0.11491619179678 0.23422631263276 30.974 > 123 124 P 0.55833459633777 0.11491619179678 0.23422631263276 30.974 > 123 125 P 0.05833459633777 0.38508380820322 0.73422631263275 30.974 > 125 126 P 0.55833459633777 0.38508380820322 0.73422631263275 30.974 > 125 127 P 0.44166540366223 0.88508380820322 0.76577368736725 30.974 > 127 128 P 0.94166540366223 0.88508380820322 0.76577368736725 30.974 > 127 129 P 0.49684809279784 0.59989889612337 0.74200284661627 30.974 > 129 130 P 0.99684809279784 0.59989889612337 0.74200284661627 30.974 > 129 131 P 0.00315190720216 0.09989889612337 0.75799715338373 30.974 > 131 132 P 0.50315190720215 0.09989889612337 0.75799715338373 30.974 > 131 133 P 0.00315190720216 0.40010110387663 0.25799715338373 30.974 > 133 134 P 0.50315190720215 0.40010110387663 0.25799715338373 30.974 > 133 135 P 0.49684809279784 0.90010110387663 0.24200284661627 30.974 > 135 136 P 0.99684809279784 0.90010110387663 0.24200284661627 30.974 > 135 137 La 0.23142535805066 0.78205231838136 0.97673012376659 138.905 > 137 138 La 0.73142535805066 0.78205231838136 0.97673012376659 138.905 > 137 139 La 0.26857464194934 0.28205231838136 0.52326987623341 138.905 > 139 140 La 0.76857464194934 0.28205231838136 0.52326987623341 138.905 > 139 141 La 0.26857464194934 0.21794768161864 0.02326987623341 138.905 > 141 142 La 0.76857464194934 0.21794768161864 0.02326987623341 138.905 > 141 143 La 0.23142535805066 0.71794768161864 0.47673012376659 138.905 > 143 144 La 0.73142535805066 0.71794768161864 0.47673012376659 138.905 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7332834 0.0000000 0.0140277 0.0000000 2.7237559 0.0000000 0.0141070 0.0000000 2.7092907 -------------------------- Born effective charges -------------------------- 1 O -1.6803350 0.2764064 0.7477081 0.3470937 -1.4515909 -0.6388917 0.6839856 -0.4325525 -1.7995771 2 O -1.6803350 -0.2764064 0.7477081 -0.3470937 -1.4515909 0.6388917 0.6839856 0.4325525 -1.7995771 3 O -1.6803350 0.2764064 0.7477081 0.3470937 -1.4515909 -0.6388917 0.6839856 -0.4325525 -1.7995771 4 O -1.6803350 -0.2764064 0.7477081 -0.3470937 -1.4515909 0.6388917 0.6839856 0.4325525 -1.7995771 5 O -1.7275196 -0.2804262 -0.6718955 -0.3440187 -1.3006077 -0.5207543 -0.6383424 -0.3566056 -1.8513039 6 O -1.7275196 0.2804262 -0.6718955 0.3440187 -1.3006077 0.5207543 -0.6383424 0.3566056 -1.8513039 7 O -1.7275196 -0.2804262 -0.6718955 -0.3440187 -1.3006077 -0.5207543 -0.6383424 -0.3566056 -1.8513039 8 O -1.7275196 0.2804262 -0.6718955 0.3440187 -1.3006077 0.5207543 -0.6383424 0.3566056 -1.8513039 9 O -1.3628874 0.2466766 -0.4111173 0.2723570 -1.3459333 0.5384051 -0.5074922 0.3135602 -1.9365480 10 O -1.3628874 -0.2466766 -0.4111173 -0.2723570 -1.3459333 -0.5384051 -0.5074922 -0.3135602 -1.9365480 11 O -1.3628874 0.2466766 -0.4111173 0.2723570 -1.3459333 0.5384051 -0.5074922 0.3135602 -1.9365480 12 O -1.3628874 -0.2466766 -0.4111173 -0.2723570 -1.3459333 -0.5384051 -0.5074922 -0.3135602 -1.9365480 13 O -3.1118237 0.2915669 0.4589610 0.1797285 -0.9728466 0.0254350 0.2813091 -0.1315907 -1.1293493 14 O -3.1118237 -0.2915669 0.4589610 -0.1797285 -0.9728466 -0.0254350 0.2813091 0.1315907 -1.1293493 15 O -3.1118237 0.2915669 0.4589610 0.1797285 -0.9728466 0.0254350 0.2813091 -0.1315907 -1.1293493 16 O -3.1118237 -0.2915669 0.4589610 -0.1797285 -0.9728466 -0.0254350 0.2813091 0.1315907 -1.1293493 17 O -1.2122546 0.0765940 0.1930594 0.1255471 -1.2512870 -0.6584734 0.1841441 -0.2715649 -2.1575314 18 O -1.7104289 -0.5672787 -0.5379572 -0.5348046 -1.6611934 -0.4305952 -0.4980916 -0.5947433 -1.5636951 19 O -1.2122546 -0.0765940 0.1930594 -0.1255471 -1.2512870 0.6584734 0.1841441 0.2715649 -2.1575314 20 O -1.2122546 -0.0765940 0.1930594 -0.1255471 -1.2512870 0.6584734 0.1841441 0.2715649 -2.1575314 21 O -1.0849130 -0.7515123 0.1127757 -0.4148211 -3.2080530 -0.0051954 0.1406916 -0.0198589 -1.0133305 22 O -1.0849130 0.7515123 0.1127757 0.4148211 -3.2080530 0.0051954 0.1406916 0.0198589 -1.0133305 23 O -1.0849130 -0.7515123 0.1127757 -0.4148211 -3.2080530 -0.0051954 0.1406916 -0.0198589 -1.0133305 24 O -1.0849130 0.7515123 0.1127757 0.4148211 -3.2080530 0.0051954 0.1406916 0.0198589 -1.0133305 25 O -1.2937522 -0.9792985 -0.0374244 -0.7807953 -3.3449700 0.0048808 -0.0599016 0.0368052 -0.9081061 26 O -1.2937522 0.9792985 -0.0374244 0.7807953 -3.3449700 -0.0048808 -0.0599016 -0.0368052 -0.9081061 27 O -1.2937522 -0.9792985 -0.0374244 -0.7807953 -3.3449700 0.0048808 -0.0599016 0.0368052 -0.9081061 28 O -1.2937522 0.9792985 -0.0374244 0.7807953 -3.3449700 -0.0048808 -0.0599016 -0.0368052 -0.9081061 29 O -1.3155977 0.3416849 0.2338045 0.3181141 -1.6434938 -0.5971904 0.3636683 -0.7070122 -1.6909656 30 O -1.3155977 -0.3416849 0.2338045 -0.3181141 -1.6434938 0.5971904 0.3636683 0.7070122 -1.6909656 31 O -1.3155977 0.3416849 0.2338045 0.3181141 -1.6434938 -0.5971904 0.3636683 -0.7070122 -1.6909656 32 O -1.3155977 -0.3416849 0.2338045 -0.3181141 -1.6434938 0.5971904 0.3636683 0.7070122 -1.6909656 33 O -1.1831295 -0.1402029 -0.2875963 -0.1564536 -1.7541729 -0.7270961 -0.2834065 -0.7442686 -1.9518788 34 O -1.1831295 0.1402029 -0.2875963 0.1564536 -1.7541729 0.7270961 -0.2834065 0.7442686 -1.9518788 35 O -1.1831295 -0.1402029 -0.2875963 -0.1564536 -1.7541729 -0.7270961 -0.2834065 -0.7442686 -1.9518788 36 O -1.1831295 0.1402029 -0.2875963 0.1564536 -1.7541729 0.7270961 -0.2834065 0.7442686 -1.9518788 37 O -1.6812293 -0.5052176 0.5129570 -0.4429576 -1.6269884 0.4587871 0.4936288 0.6124621 -1.5424392 38 O -1.6812293 0.5052176 0.5129570 0.4429576 -1.6269884 -0.4587871 0.4936288 -0.6124621 -1.5424392 39 O -1.6812293 -0.5052176 0.5129570 -0.4429576 -1.6269884 0.4587871 0.4936288 0.6124621 -1.5424392 40 O -1.6812293 0.5052176 0.5129570 0.4429576 -1.6269884 -0.4587871 0.4936288 -0.6124621 -1.5424392 41 O -3.0902029 0.2784262 -0.5526056 0.2209813 -1.0560752 0.0437002 -0.3559158 -0.1278869 -1.0397426 42 O -3.0902029 -0.2784262 -0.5526056 -0.2209813 -1.0560752 -0.0437002 -0.3559158 0.1278869 -1.0397426 43 O -3.0902029 0.2784262 -0.5526056 0.2209813 -1.0560752 0.0437002 -0.3559158 -0.1278869 -1.0397426 44 O -3.0902029 -0.2784262 -0.5526056 -0.2209813 -1.0560752 -0.0437002 -0.3559158 0.1278869 -1.0397426 45 O -1.7104289 0.5672787 -0.5379572 0.5348046 -1.6611934 0.4305952 -0.4980916 0.5947433 -1.5636951 46 O -1.7104289 -0.5672787 -0.5379572 -0.5348046 -1.6611934 -0.4305952 -0.4980916 -0.5947433 -1.5636951 47 O -1.7104289 0.5672787 -0.5379572 0.5348046 -1.6611934 0.4305952 -0.4980916 0.5947433 -1.5636951 48 O -1.2122546 0.0765940 0.1930594 0.1255471 -1.2512870 -0.6584734 0.1841441 -0.2715649 -2.1575314 49 Na 1.2160790 0.0538921 -0.0326567 -0.0196078 1.0082955 -0.0681437 -0.0076130 -0.0243822 1.2199117 50 Na 1.2160790 -0.0538921 -0.0326567 0.0196078 1.0082955 0.0681437 -0.0076130 0.0243822 1.2199117 51 Na 1.2160790 0.0538921 -0.0326567 -0.0196078 1.0082955 -0.0681437 -0.0076130 -0.0243822 1.2199117 52 Na 1.2160790 -0.0538921 -0.0326567 0.0196078 1.0082955 0.0681437 -0.0076130 0.0243822 1.2199117 53 P 3.7177197 0.4053708 0.2089947 -0.0137139 3.8782742 0.3938938 -0.4912037 -0.3898809 3.0091132 54 P 3.7177197 -0.4053708 0.2089947 0.0137139 3.8782742 -0.3938938 -0.4912037 0.3898809 3.0091132 55 P 3.7177197 0.4053708 0.2089947 -0.0137139 3.8782742 0.3938938 -0.4912037 -0.3898809 3.0091132 56 P 3.7177197 -0.4053708 0.2089947 0.0137139 3.8782742 -0.3938938 -0.4912037 0.3898809 3.0091132 57 P 3.7402065 -0.0556654 -0.4007008 0.1031130 3.8171455 -0.5297113 -0.2071226 0.4036054 3.0811730 58 P 3.7402065 0.0556654 -0.4007008 -0.1031130 3.8171455 0.5297113 -0.2071226 -0.4036054 3.0811730 59 P 3.7402065 -0.0556654 -0.4007008 0.1031130 3.8171455 -0.5297113 -0.2071226 0.4036054 3.0811730 60 P 3.7402065 0.0556654 -0.4007008 -0.1031130 3.8171455 0.5297113 -0.2071226 -0.4036054 3.0811730 61 P 3.8506720 -0.1987478 0.3478381 -0.3568063 4.0460010 0.3879055 0.3965003 -0.2296992 3.1387483 62 P 3.8506720 0.1987478 0.3478381 0.3568063 4.0460010 -0.3879055 0.3965003 0.2296992 3.1387483 63 P 3.8506720 -0.1987478 0.3478381 -0.3568063 4.0460010 0.3879055 0.3965003 -0.2296992 3.1387483 64 P 3.8506720 0.1987478 0.3478381 0.3568063 4.0460010 -0.3879055 0.3965003 0.2296992 3.1387483 65 P 3.7677730 -0.3336433 0.0861981 0.0351528 4.0083966 -0.6385188 0.4307697 0.2309182 3.0127964 66 P 3.7677730 0.3336433 0.0861981 -0.0351528 4.0083966 0.6385188 0.4307697 -0.2309182 3.0127964 67 P 3.7677730 -0.3336433 0.0861981 0.0351528 4.0083966 -0.6385188 0.4307697 0.2309182 3.0127964 68 P 3.7677730 0.3336433 0.0861981 -0.0351528 4.0083966 0.6385188 0.4307697 -0.2309182 3.0127964 69 La 4.1616237 0.2477439 0.0296572 -0.2146257 3.8590995 -0.0921817 0.0743919 -0.1042456 5.1227249 70 La 4.1616237 -0.2477439 0.0296572 0.2146257 3.8590995 0.0921817 0.0743919 0.1042456 5.1227249 71 La 4.1616237 0.2477439 0.0296572 -0.2146257 3.8590995 -0.0921817 0.0743919 -0.1042456 5.1227249 72 La 4.1616237 -0.2477439 0.0296572 0.2146257 3.8590995 0.0921817 0.0743919 0.1042456 5.1227249 ---------------------------------------------------------------------------- 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 33, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 35, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 41, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 73, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 81, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 97, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 105, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 113, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 121, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 129, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 137, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 2026-01-07 22:04:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:04:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.268263890031269 0.000000000000000 0.000000000000000 b 0.000000000000000 13.213071810000004 0.000000000000000 c -7.188325823020060 0.000000000000000 10.074996424525693 Atomic positions (fractional): 1 O 0.35601977991167 0.60948000391481 0.28785733904139 15.999 2 O 0.64398022008833 0.10948000391481 0.21214266095861 15.999 3 O 0.64398022008833 0.39051999608519 0.71214266095861 15.999 4 O 0.35601977991167 0.89051999608519 0.78785733904139 15.999 5 O 0.08762857106748 0.64510979380833 0.39949252081044 15.999 6 O 0.91237142893252 0.14510979380833 0.10050747918956 15.999 7 O 0.91237142893252 0.35489020619167 0.60050747918956 15.999 8 O 0.08762857106748 0.85489020619167 0.89949252081044 15.999 9 O 0.81015986310031 0.60699409620144 0.59586475671768 15.999 10 O 0.18984013689969 0.10699409620144 0.90413524328232 15.999 11 O 0.18984013689969 0.39300590379856 0.40413524328232 15.999 12 O 0.81015986310031 0.89300590379856 0.09586475671767 15.999 13 O 0.90533692973684 0.62228561261989 0.83150173926857 15.999 14 O 0.09466307026316 0.12228561261989 0.66849826073143 15.999 15 O 0.09466307026316 0.37771438738011 0.16849826073143 15.999 16 O 0.90533692973684 0.87771438738011 0.33150173926857 15.999 17 O 0.47833265715238 0.86624574539193 0.16038486437691 15.999 18 O 0.19954409196006 0.66441277901352 0.79282392437381 15.999 19 O 0.52166734284762 0.36624574539193 0.33961513562309 15.999 20 O 0.47833265715238 0.63375425460807 0.66038486437691 15.999 21 O 0.65129878471264 0.52201459388483 0.86627482266935 15.999 22 O 0.34870121528736 0.02201459388483 0.63372517733065 15.999 23 O 0.34870121528736 0.47798540611517 0.13372517733065 15.999 24 O 0.65129878471264 0.97798540611517 0.36627482266935 15.999 25 O 0.07437489245938 0.01426602976505 0.28750533534124 15.999 26 O 0.92562510754062 0.51426602976505 0.21249466465876 15.999 27 O 0.92562510754062 0.98573397023495 0.71249466465876 15.999 28 O 0.07437489245938 0.48573397023495 0.78750533534124 15.999 29 O 0.34146609691287 0.83928111015932 0.58291666443900 15.999 30 O 0.65853390308713 0.33928111015932 0.91708333556100 15.999 31 O 0.65853390308713 0.16071888984068 0.41708333556100 15.999 32 O 0.34146609691287 0.66071888984068 0.08291666443900 15.999 33 O 0.78713583784907 0.81029364623745 0.65498870015401 15.999 34 O 0.21286416215093 0.31029364623745 0.84501129984599 15.999 35 O 0.21286416215093 0.18970635376255 0.34501129984599 15.999 36 O 0.78713583784907 0.68970635376255 0.15498870015401 15.999 37 O 0.68560066738620 0.79057137276023 0.39739309927428 15.999 38 O 0.31439933261380 0.29057137276023 0.10260690072572 15.999 39 O 0.31439933261380 0.20942862723977 0.60260690072572 15.999 40 O 0.68560066738620 0.70942862723977 0.89739309927428 15.999 41 O 0.69614681716568 0.91984774666979 0.78826685176187 15.999 42 O 0.30385318283432 0.41984774666979 0.71173314823813 15.999 43 O 0.30385318283432 0.08015225333021 0.21173314823813 15.999 44 O 0.69614681716568 0.58015225333021 0.28826685176187 15.999 45 O 0.19954409196006 0.83558722098648 0.29282392437381 15.999 46 O 0.80045590803994 0.33558722098648 0.20717607562619 15.999 47 O 0.80045590803994 0.16441277901352 0.70717607562619 15.999 48 O 0.52166734284762 0.13375425460807 0.83961513562309 15.999 49 Na 0.06542874050182 0.72138458685406 0.56586276587563 22.990 50 Na 0.93457125949818 0.22138458685406 0.93413723412437 22.990 51 Na 0.93457125949818 0.27861541314594 0.43413723412437 22.990 52 Na 0.06542874050182 0.77861541314594 0.06586276587563 22.990 53 P 0.42529341284226 0.58962724437095 0.19698269232357 30.974 54 P 0.57470658715774 0.08962724437095 0.30301730767643 30.974 55 P 0.57470658715774 0.41037275562905 0.80301730767643 30.974 56 P 0.42529341284226 0.91037275562905 0.69698269232357 30.974 57 P 0.66201099768266 0.62775298954958 0.80589095073551 30.974 58 P 0.33798900231735 0.12775298954958 0.69410904926449 30.974 59 P 0.33798900231735 0.37224701045043 0.19410904926449 30.974 60 P 0.66201099768266 0.87224701045042 0.30589095073551 30.974 61 P 0.88333080732446 0.61491619179678 0.26577368736724 30.974 62 P 0.11666919267554 0.11491619179678 0.23422631263276 30.974 63 P 0.11666919267554 0.38508380820322 0.73422631263275 30.974 64 P 0.88333080732446 0.88508380820322 0.76577368736725 30.974 65 P 0.99369618559569 0.59989889612337 0.74200284661627 30.974 66 P 0.00630381440431 0.09989889612337 0.75799715338373 30.974 67 P 0.00630381440431 0.40010110387663 0.25799715338373 30.974 68 P 0.99369618559569 0.90010110387663 0.24200284661627 30.974 69 La 0.46285071610133 0.78205231838136 0.97673012376659 138.905 70 La 0.53714928389867 0.28205231838136 0.52326987623341 138.905 71 La 0.53714928389867 0.21794768161864 0.02326987623341 138.905 72 La 0.46285071610133 0.71794768161864 0.47673012376659 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.536527780062539 0.000000000000000 0.000000000000000 b 0.000000000000000 13.213071810000004 0.000000000000000 c -7.188325823020060 0.000000000000000 10.074996424525693 Atomic positions (fractional): 1 O 0.17800988995584 0.60948000391481 0.28785733904139 15.999 > 1 2 O 0.67800988995584 0.60948000391481 0.28785733904139 15.999 > 1 3 O 0.32199011004416 0.10948000391481 0.21214266095861 15.999 > 3 4 O 0.82199011004416 0.10948000391481 0.21214266095861 15.999 > 3 5 O 0.32199011004416 0.39051999608519 0.71214266095861 15.999 > 5 6 O 0.82199011004416 0.39051999608519 0.71214266095861 15.999 > 5 7 O 0.17800988995584 0.89051999608519 0.78785733904139 15.999 > 7 8 O 0.67800988995584 0.89051999608519 0.78785733904139 15.999 > 7 9 O 0.04381428553374 0.64510979380833 0.39949252081044 15.999 > 9 10 O 0.54381428553374 0.64510979380833 0.39949252081044 15.999 > 9 11 O 0.45618571446626 0.14510979380833 0.10050747918956 15.999 > 11 12 O 0.95618571446626 0.14510979380833 0.10050747918956 15.999 > 11 13 O 0.45618571446626 0.35489020619167 0.60050747918956 15.999 > 13 14 O 0.95618571446626 0.35489020619167 0.60050747918956 15.999 > 13 15 O 0.04381428553374 0.85489020619167 0.89949252081044 15.999 > 15 16 O 0.54381428553374 0.85489020619167 0.89949252081044 15.999 > 15 17 O 0.40507993155015 0.60699409620144 0.59586475671768 15.999 > 17 18 O 0.90507993155015 0.60699409620144 0.59586475671768 15.999 > 17 19 O 0.09492006844985 0.10699409620144 0.90413524328232 15.999 > 19 20 O 0.59492006844985 0.10699409620144 0.90413524328232 15.999 > 19 21 O 0.09492006844985 0.39300590379856 0.40413524328232 15.999 > 21 22 O 0.59492006844985 0.39300590379856 0.40413524328232 15.999 > 21 23 O 0.40507993155015 0.89300590379856 0.09586475671767 15.999 > 23 24 O 0.90507993155015 0.89300590379856 0.09586475671767 15.999 > 23 25 O 0.45266846486842 0.62228561261989 0.83150173926857 15.999 > 25 26 O 0.95266846486842 0.62228561261989 0.83150173926857 15.999 > 25 27 O 0.04733153513158 0.12228561261989 0.66849826073143 15.999 > 27 28 O 0.54733153513158 0.12228561261989 0.66849826073143 15.999 > 27 29 O 0.04733153513158 0.37771438738011 0.16849826073143 15.999 > 29 30 O 0.54733153513158 0.37771438738011 0.16849826073143 15.999 > 29 31 O 0.45266846486842 0.87771438738011 0.33150173926857 15.999 > 31 32 O 0.95266846486842 0.87771438738011 0.33150173926857 15.999 > 31 33 O 0.23916632857619 0.86624574539193 0.16038486437691 15.999 > 33 34 O 0.73916632857619 0.86624574539193 0.16038486437691 15.999 > 33 35 O 0.09977204598003 0.66441277901352 0.79282392437381 15.999 > 35 36 O 0.59977204598003 0.66441277901352 0.79282392437381 15.999 > 35 37 O 0.26083367142381 0.36624574539193 0.33961513562309 15.999 > 37 38 O 0.76083367142381 0.36624574539193 0.33961513562309 15.999 > 37 39 O 0.23916632857619 0.63375425460807 0.66038486437691 15.999 > 39 40 O 0.73916632857619 0.63375425460807 0.66038486437691 15.999 > 39 41 O 0.32564939235632 0.52201459388483 0.86627482266935 15.999 > 41 42 O 0.82564939235632 0.52201459388483 0.86627482266935 15.999 > 41 43 O 0.17435060764368 0.02201459388483 0.63372517733065 15.999 > 43 44 O 0.67435060764368 0.02201459388483 0.63372517733065 15.999 > 43 45 O 0.17435060764368 0.47798540611517 0.13372517733065 15.999 > 45 46 O 0.67435060764368 0.47798540611517 0.13372517733065 15.999 > 45 47 O 0.32564939235632 0.97798540611517 0.36627482266935 15.999 > 47 48 O 0.82564939235632 0.97798540611517 0.36627482266935 15.999 > 47 49 O 0.03718744622969 0.01426602976505 0.28750533534124 15.999 > 49 50 O 0.53718744622969 0.01426602976505 0.28750533534124 15.999 > 49 51 O 0.46281255377031 0.51426602976505 0.21249466465876 15.999 > 51 52 O 0.96281255377031 0.51426602976505 0.21249466465876 15.999 > 51 53 O 0.46281255377031 0.98573397023495 0.71249466465876 15.999 > 53 54 O 0.96281255377031 0.98573397023495 0.71249466465876 15.999 > 53 55 O 0.03718744622969 0.48573397023495 0.78750533534124 15.999 > 55 56 O 0.53718744622969 0.48573397023495 0.78750533534124 15.999 > 55 57 O 0.17073304845643 0.83928111015932 0.58291666443900 15.999 > 57 58 O 0.67073304845643 0.83928111015932 0.58291666443900 15.999 > 57 59 O 0.32926695154357 0.33928111015932 0.91708333556100 15.999 > 59 60 O 0.82926695154357 0.33928111015932 0.91708333556100 15.999 > 59 61 O 0.32926695154357 0.16071888984068 0.41708333556100 15.999 > 61 62 O 0.82926695154357 0.16071888984068 0.41708333556100 15.999 > 61 63 O 0.17073304845643 0.66071888984068 0.08291666443900 15.999 > 63 64 O 0.67073304845643 0.66071888984068 0.08291666443900 15.999 > 63 65 O 0.39356791892453 0.81029364623745 0.65498870015401 15.999 > 65 66 O 0.89356791892453 0.81029364623745 0.65498870015401 15.999 > 65 67 O 0.10643208107547 0.31029364623745 0.84501129984599 15.999 > 67 68 O 0.60643208107547 0.31029364623745 0.84501129984599 15.999 > 67 69 O 0.10643208107547 0.18970635376255 0.34501129984599 15.999 > 69 70 O 0.60643208107547 0.18970635376255 0.34501129984599 15.999 > 69 71 O 0.39356791892453 0.68970635376255 0.15498870015401 15.999 > 71 72 O 0.89356791892453 0.68970635376255 0.15498870015401 15.999 > 71 73 O 0.34280033369310 0.79057137276023 0.39739309927428 15.999 > 73 74 O 0.84280033369310 0.79057137276023 0.39739309927428 15.999 > 73 75 O 0.15719966630690 0.29057137276023 0.10260690072572 15.999 > 75 76 O 0.65719966630690 0.29057137276023 0.10260690072572 15.999 > 75 77 O 0.15719966630690 0.20942862723977 0.60260690072572 15.999 > 77 78 O 0.65719966630690 0.20942862723977 0.60260690072572 15.999 > 77 79 O 0.34280033369310 0.70942862723977 0.89739309927428 15.999 > 79 80 O 0.84280033369310 0.70942862723977 0.89739309927428 15.999 > 79 81 O 0.34807340858284 0.91984774666979 0.78826685176187 15.999 > 81 82 O 0.84807340858284 0.91984774666979 0.78826685176187 15.999 > 81 83 O 0.15192659141716 0.41984774666979 0.71173314823813 15.999 > 83 84 O 0.65192659141716 0.41984774666979 0.71173314823813 15.999 > 83 85 O 0.15192659141716 0.08015225333021 0.21173314823813 15.999 > 85 86 O 0.65192659141716 0.08015225333021 0.21173314823813 15.999 > 85 87 O 0.34807340858284 0.58015225333021 0.28826685176187 15.999 > 87 88 O 0.84807340858284 0.58015225333021 0.28826685176187 15.999 > 87 89 O 0.09977204598003 0.83558722098648 0.29282392437381 15.999 > 89 90 O 0.59977204598003 0.83558722098648 0.29282392437381 15.999 > 89 91 O 0.40022795401997 0.33558722098648 0.20717607562619 15.999 > 91 92 O 0.90022795401997 0.33558722098648 0.20717607562619 15.999 > 91 93 O 0.40022795401997 0.16441277901352 0.70717607562619 15.999 > 93 94 O 0.90022795401997 0.16441277901352 0.70717607562619 15.999 > 93 95 O 0.26083367142381 0.13375425460807 0.83961513562309 15.999 > 95 96 O 0.76083367142381 0.13375425460807 0.83961513562309 15.999 > 95 97 Na 0.03271437025091 0.72138458685406 0.56586276587563 22.990 > 97 98 Na 0.53271437025091 0.72138458685406 0.56586276587563 22.990 > 97 99 Na 0.46728562974909 0.22138458685406 0.93413723412437 22.990 > 99 100 Na 0.96728562974909 0.22138458685406 0.93413723412437 22.990 > 99 101 Na 0.46728562974909 0.27861541314594 0.43413723412437 22.990 > 101 102 Na 0.96728562974909 0.27861541314594 0.43413723412437 22.990 > 101 103 Na 0.03271437025091 0.77861541314594 0.06586276587563 22.990 > 103 104 Na 0.53271437025091 0.77861541314594 0.06586276587563 22.990 > 103 105 P 0.21264670642113 0.58962724437095 0.19698269232357 30.974 > 105 106 P 0.71264670642113 0.58962724437095 0.19698269232357 30.974 > 105 107 P 0.28735329357887 0.08962724437095 0.30301730767643 30.974 > 107 108 P 0.78735329357887 0.08962724437095 0.30301730767643 30.974 > 107 109 P 0.28735329357887 0.41037275562905 0.80301730767643 30.974 > 109 110 P 0.78735329357887 0.41037275562905 0.80301730767643 30.974 > 109 111 P 0.21264670642113 0.91037275562905 0.69698269232357 30.974 > 111 112 P 0.71264670642113 0.91037275562905 0.69698269232357 30.974 > 111 113 P 0.33100549884133 0.62775298954958 0.80589095073551 30.974 > 113 114 P 0.83100549884133 0.62775298954958 0.80589095073551 30.974 > 113 115 P 0.16899450115867 0.12775298954958 0.69410904926449 30.974 > 115 116 P 0.66899450115867 0.12775298954958 0.69410904926449 30.974 > 115 117 P 0.16899450115867 0.37224701045043 0.19410904926449 30.974 > 117 118 P 0.66899450115867 0.37224701045043 0.19410904926449 30.974 > 117 119 P 0.33100549884133 0.87224701045042 0.30589095073551 30.974 > 119 120 P 0.83100549884133 0.87224701045042 0.30589095073551 30.974 > 119 121 P 0.44166540366223 0.61491619179678 0.26577368736724 30.974 > 121 122 P 0.94166540366223 0.61491619179678 0.26577368736724 30.974 > 121 123 P 0.05833459633777 0.11491619179678 0.23422631263276 30.974 > 123 124 P 0.55833459633777 0.11491619179678 0.23422631263276 30.974 > 123 125 P 0.05833459633777 0.38508380820322 0.73422631263275 30.974 > 125 126 P 0.55833459633777 0.38508380820322 0.73422631263275 30.974 > 125 127 P 0.44166540366223 0.88508380820322 0.76577368736725 30.974 > 127 128 P 0.94166540366223 0.88508380820322 0.76577368736725 30.974 > 127 129 P 0.49684809279784 0.59989889612337 0.74200284661627 30.974 > 129 130 P 0.99684809279784 0.59989889612337 0.74200284661627 30.974 > 129 131 P 0.00315190720216 0.09989889612337 0.75799715338373 30.974 > 131 132 P 0.50315190720215 0.09989889612337 0.75799715338373 30.974 > 131 133 P 0.00315190720216 0.40010110387663 0.25799715338373 30.974 > 133 134 P 0.50315190720215 0.40010110387663 0.25799715338373 30.974 > 133 135 P 0.49684809279784 0.90010110387663 0.24200284661627 30.974 > 135 136 P 0.99684809279784 0.90010110387663 0.24200284661627 30.974 > 135 137 La 0.23142535805066 0.78205231838136 0.97673012376659 138.905 > 137 138 La 0.73142535805066 0.78205231838136 0.97673012376659 138.905 > 137 139 La 0.26857464194934 0.28205231838136 0.52326987623341 138.905 > 139 140 La 0.76857464194934 0.28205231838136 0.52326987623341 138.905 > 139 141 La 0.26857464194934 0.21794768161864 0.02326987623341 138.905 > 141 142 La 0.76857464194934 0.21794768161864 0.02326987623341 138.905 > 141 143 La 0.23142535805066 0.71794768161864 0.47673012376659 138.905 > 143 144 La 0.73142535805066 0.71794768161864 0.47673012376659 138.905 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7332834 0.0000000 0.0140277 0.0000000 2.7237559 0.0000000 0.0141070 0.0000000 2.7092907 -------------------------- Born effective charges -------------------------- 1 O -1.6803350 0.2764064 0.7477081 0.3470937 -1.4515909 -0.6388917 0.6839856 -0.4325525 -1.7995771 2 O -1.6803350 -0.2764064 0.7477081 -0.3470937 -1.4515909 0.6388917 0.6839856 0.4325525 -1.7995771 3 O -1.6803350 0.2764064 0.7477081 0.3470937 -1.4515909 -0.6388917 0.6839856 -0.4325525 -1.7995771 4 O -1.6803350 -0.2764064 0.7477081 -0.3470937 -1.4515909 0.6388917 0.6839856 0.4325525 -1.7995771 5 O -1.7275196 -0.2804262 -0.6718955 -0.3440187 -1.3006077 -0.5207543 -0.6383424 -0.3566056 -1.8513039 6 O -1.7275196 0.2804262 -0.6718955 0.3440187 -1.3006077 0.5207543 -0.6383424 0.3566056 -1.8513039 7 O -1.7275196 -0.2804262 -0.6718955 -0.3440187 -1.3006077 -0.5207543 -0.6383424 -0.3566056 -1.8513039 8 O -1.7275196 0.2804262 -0.6718955 0.3440187 -1.3006077 0.5207543 -0.6383424 0.3566056 -1.8513039 9 O -1.3628874 0.2466766 -0.4111173 0.2723570 -1.3459333 0.5384051 -0.5074922 0.3135602 -1.9365480 10 O -1.3628874 -0.2466766 -0.4111173 -0.2723570 -1.3459333 -0.5384051 -0.5074922 -0.3135602 -1.9365480 11 O -1.3628874 0.2466766 -0.4111173 0.2723570 -1.3459333 0.5384051 -0.5074922 0.3135602 -1.9365480 12 O -1.3628874 -0.2466766 -0.4111173 -0.2723570 -1.3459333 -0.5384051 -0.5074922 -0.3135602 -1.9365480 13 O -3.1118237 0.2915669 0.4589610 0.1797285 -0.9728466 0.0254350 0.2813091 -0.1315907 -1.1293493 14 O -3.1118237 -0.2915669 0.4589610 -0.1797285 -0.9728466 -0.0254350 0.2813091 0.1315907 -1.1293493 15 O -3.1118237 0.2915669 0.4589610 0.1797285 -0.9728466 0.0254350 0.2813091 -0.1315907 -1.1293493 16 O -3.1118237 -0.2915669 0.4589610 -0.1797285 -0.9728466 -0.0254350 0.2813091 0.1315907 -1.1293493 17 O -1.2122546 0.0765940 0.1930594 0.1255471 -1.2512870 -0.6584734 0.1841441 -0.2715649 -2.1575314 18 O -1.7104289 -0.5672787 -0.5379572 -0.5348046 -1.6611934 -0.4305952 -0.4980916 -0.5947433 -1.5636951 19 O -1.2122546 -0.0765940 0.1930594 -0.1255471 -1.2512870 0.6584734 0.1841441 0.2715649 -2.1575314 20 O -1.2122546 -0.0765940 0.1930594 -0.1255471 -1.2512870 0.6584734 0.1841441 0.2715649 -2.1575314 21 O -1.0849130 -0.7515123 0.1127757 -0.4148211 -3.2080530 -0.0051954 0.1406916 -0.0198589 -1.0133305 22 O -1.0849130 0.7515123 0.1127757 0.4148211 -3.2080530 0.0051954 0.1406916 0.0198589 -1.0133305 23 O -1.0849130 -0.7515123 0.1127757 -0.4148211 -3.2080530 -0.0051954 0.1406916 -0.0198589 -1.0133305 24 O -1.0849130 0.7515123 0.1127757 0.4148211 -3.2080530 0.0051954 0.1406916 0.0198589 -1.0133305 25 O -1.2937522 -0.9792985 -0.0374244 -0.7807953 -3.3449700 0.0048808 -0.0599016 0.0368052 -0.9081061 26 O -1.2937522 0.9792985 -0.0374244 0.7807953 -3.3449700 -0.0048808 -0.0599016 -0.0368052 -0.9081061 27 O -1.2937522 -0.9792985 -0.0374244 -0.7807953 -3.3449700 0.0048808 -0.0599016 0.0368052 -0.9081061 28 O -1.2937522 0.9792985 -0.0374244 0.7807953 -3.3449700 -0.0048808 -0.0599016 -0.0368052 -0.9081061 29 O -1.3155977 0.3416849 0.2338045 0.3181141 -1.6434938 -0.5971904 0.3636683 -0.7070122 -1.6909656 30 O -1.3155977 -0.3416849 0.2338045 -0.3181141 -1.6434938 0.5971904 0.3636683 0.7070122 -1.6909656 31 O -1.3155977 0.3416849 0.2338045 0.3181141 -1.6434938 -0.5971904 0.3636683 -0.7070122 -1.6909656 32 O -1.3155977 -0.3416849 0.2338045 -0.3181141 -1.6434938 0.5971904 0.3636683 0.7070122 -1.6909656 33 O -1.1831295 -0.1402029 -0.2875963 -0.1564536 -1.7541729 -0.7270961 -0.2834065 -0.7442686 -1.9518788 34 O -1.1831295 0.1402029 -0.2875963 0.1564536 -1.7541729 0.7270961 -0.2834065 0.7442686 -1.9518788 35 O -1.1831295 -0.1402029 -0.2875963 -0.1564536 -1.7541729 -0.7270961 -0.2834065 -0.7442686 -1.9518788 36 O -1.1831295 0.1402029 -0.2875963 0.1564536 -1.7541729 0.7270961 -0.2834065 0.7442686 -1.9518788 37 O -1.6812293 -0.5052176 0.5129570 -0.4429576 -1.6269884 0.4587871 0.4936288 0.6124621 -1.5424392 38 O -1.6812293 0.5052176 0.5129570 0.4429576 -1.6269884 -0.4587871 0.4936288 -0.6124621 -1.5424392 39 O -1.6812293 -0.5052176 0.5129570 -0.4429576 -1.6269884 0.4587871 0.4936288 0.6124621 -1.5424392 40 O -1.6812293 0.5052176 0.5129570 0.4429576 -1.6269884 -0.4587871 0.4936288 -0.6124621 -1.5424392 41 O -3.0902029 0.2784262 -0.5526056 0.2209813 -1.0560752 0.0437002 -0.3559158 -0.1278869 -1.0397426 42 O -3.0902029 -0.2784262 -0.5526056 -0.2209813 -1.0560752 -0.0437002 -0.3559158 0.1278869 -1.0397426 43 O -3.0902029 0.2784262 -0.5526056 0.2209813 -1.0560752 0.0437002 -0.3559158 -0.1278869 -1.0397426 44 O -3.0902029 -0.2784262 -0.5526056 -0.2209813 -1.0560752 -0.0437002 -0.3559158 0.1278869 -1.0397426 45 O -1.7104289 0.5672787 -0.5379572 0.5348046 -1.6611934 0.4305952 -0.4980916 0.5947433 -1.5636951 46 O -1.7104289 -0.5672787 -0.5379572 -0.5348046 -1.6611934 -0.4305952 -0.4980916 -0.5947433 -1.5636951 47 O -1.7104289 0.5672787 -0.5379572 0.5348046 -1.6611934 0.4305952 -0.4980916 0.5947433 -1.5636951 48 O -1.2122546 0.0765940 0.1930594 0.1255471 -1.2512870 -0.6584734 0.1841441 -0.2715649 -2.1575314 49 Na 1.2160790 0.0538921 -0.0326567 -0.0196078 1.0082955 -0.0681437 -0.0076130 -0.0243822 1.2199117 50 Na 1.2160790 -0.0538921 -0.0326567 0.0196078 1.0082955 0.0681437 -0.0076130 0.0243822 1.2199117 51 Na 1.2160790 0.0538921 -0.0326567 -0.0196078 1.0082955 -0.0681437 -0.0076130 -0.0243822 1.2199117 52 Na 1.2160790 -0.0538921 -0.0326567 0.0196078 1.0082955 0.0681437 -0.0076130 0.0243822 1.2199117 53 P 3.7177197 0.4053708 0.2089947 -0.0137139 3.8782742 0.3938938 -0.4912037 -0.3898809 3.0091132 54 P 3.7177197 -0.4053708 0.2089947 0.0137139 3.8782742 -0.3938938 -0.4912037 0.3898809 3.0091132 55 P 3.7177197 0.4053708 0.2089947 -0.0137139 3.8782742 0.3938938 -0.4912037 -0.3898809 3.0091132 56 P 3.7177197 -0.4053708 0.2089947 0.0137139 3.8782742 -0.3938938 -0.4912037 0.3898809 3.0091132 57 P 3.7402065 -0.0556654 -0.4007008 0.1031130 3.8171455 -0.5297113 -0.2071226 0.4036054 3.0811730 58 P 3.7402065 0.0556654 -0.4007008 -0.1031130 3.8171455 0.5297113 -0.2071226 -0.4036054 3.0811730 59 P 3.7402065 -0.0556654 -0.4007008 0.1031130 3.8171455 -0.5297113 -0.2071226 0.4036054 3.0811730 60 P 3.7402065 0.0556654 -0.4007008 -0.1031130 3.8171455 0.5297113 -0.2071226 -0.4036054 3.0811730 61 P 3.8506720 -0.1987478 0.3478381 -0.3568063 4.0460010 0.3879055 0.3965003 -0.2296992 3.1387483 62 P 3.8506720 0.1987478 0.3478381 0.3568063 4.0460010 -0.3879055 0.3965003 0.2296992 3.1387483 63 P 3.8506720 -0.1987478 0.3478381 -0.3568063 4.0460010 0.3879055 0.3965003 -0.2296992 3.1387483 64 P 3.8506720 0.1987478 0.3478381 0.3568063 4.0460010 -0.3879055 0.3965003 0.2296992 3.1387483 65 P 3.7677730 -0.3336433 0.0861981 0.0351528 4.0083966 -0.6385188 0.4307697 0.2309182 3.0127964 66 P 3.7677730 0.3336433 0.0861981 -0.0351528 4.0083966 0.6385188 0.4307697 -0.2309182 3.0127964 67 P 3.7677730 -0.3336433 0.0861981 0.0351528 4.0083966 -0.6385188 0.4307697 0.2309182 3.0127964 68 P 3.7677730 0.3336433 0.0861981 -0.0351528 4.0083966 0.6385188 0.4307697 -0.2309182 3.0127964 69 La 4.1616237 0.2477439 0.0296572 -0.2146257 3.8590995 -0.0921817 0.0743919 -0.1042456 5.1227249 70 La 4.1616237 -0.2477439 0.0296572 0.2146257 3.8590995 0.0921817 0.0743919 0.1042456 5.1227249 71 La 4.1616237 0.2477439 0.0296572 -0.2146257 3.8590995 -0.0921817 0.0743919 -0.1042456 5.1227249 72 La 4.1616237 -0.2477439 0.0296572 0.2146257 3.8590995 0.0921817 0.0743919 0.1042456 5.1227249 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 4 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: 295, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 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 1.508 ( 0.000 0.000 0.000) 0.000 1.547 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.045 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.151 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.535 ( 0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.786 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 4.002 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.224 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.591 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 4.760 ( 0.000 0.000 0.000) 0.000 4.781 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 4.974 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.011 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 5.743 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.793 ( 0.000 0.000 0.000) 0.000 5.915 ( 0.000 0.000 0.000) 0.000 6.021 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.403 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.484 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 0.000) 0.000 6.532 ( 0.000 0.000 0.000) 0.000 6.744 ( 0.000 0.000 0.000) 0.000 6.814 ( 0.000 0.000 0.000) 0.000 6.898 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.300 ( 0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.542 ( 0.000 0.000 0.000) 0.000 8.695 ( 0.000 0.000 0.000) 0.000 8.727 ( 0.000 0.000 0.000) 0.000 8.851 ( 0.000 0.000 0.000) 0.000 8.890 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 9.004 ( 0.000 0.000 0.000) 0.000 9.045 ( 0.000 0.000 0.000) 0.000 9.119 ( 0.000 0.000 0.000) 0.000 9.136 ( 0.000 0.000 0.000) 0.000 9.233 ( 0.000 0.000 0.000) 0.000 9.412 ( 0.000 0.000 0.000) 0.000 9.614 ( 0.000 0.000 0.000) 0.000 9.888 ( 0.000 0.000 0.000) 0.000 9.992 ( 0.000 0.000 0.000) 0.000 10.036 ( 0.000 0.000 0.000) 0.000 10.148 ( 0.000 0.000 0.000) 0.000 10.282 ( 0.000 0.000 0.000) 0.000 10.413 ( 0.000 0.000 0.000) 0.000 10.437 ( 0.000 0.000 0.000) 0.000 10.495 ( 0.000 0.000 0.000) 0.000 10.671 ( 0.000 0.000 0.000) 0.000 10.702 ( 0.000 0.000 0.000) 0.000 10.844 ( 0.000 0.000 0.000) 0.000 11.092 ( 0.000 0.000 0.000) 0.000 11.098 ( 0.000 0.000 0.000) 0.000 11.381 ( 0.000 0.000 0.000) 0.000 11.435 ( 0.000 0.000 0.000) 0.000 11.853 ( 0.000 0.000 0.000) 0.000 12.010 ( 0.000 0.000 0.000) 0.000 12.018 ( 0.000 0.000 0.000) 0.000 12.048 ( 0.000 0.000 0.000) 0.000 12.136 ( 0.000 0.000 0.000) 0.000 12.155 ( 0.000 0.000 0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 12.290 ( 0.000 0.000 0.000) 0.000 12.500 ( 0.000 0.000 0.000) 0.000 12.542 ( 0.000 0.000 0.000) 0.000 12.789 ( 0.000 0.000 0.000) 0.000 12.857 ( 0.000 0.000 0.000) 0.000 13.187 ( 0.000 0.000 0.000) 0.000 13.256 ( 0.000 0.000 0.000) 0.000 13.290 ( 0.000 0.000 0.000) 0.000 13.293 ( 0.000 0.000 0.000) 0.000 14.001 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 14.226 ( 0.000 0.000 0.000) 0.000 14.237 ( 0.000 0.000 0.000) 0.000 14.256 ( 0.000 0.000 0.000) 0.000 14.434 ( 0.000 0.000 0.000) 0.000 14.531 ( 0.000 0.000 0.000) 0.000 14.585 ( 0.000 0.000 0.000) 0.000 14.681 ( 0.000 0.000 0.000) 0.000 14.734 ( 0.000 0.000 0.000) 0.000 14.936 ( 0.000 0.000 0.000) 0.000 14.974 ( 0.000 0.000 0.000) 0.000 15.052 ( 0.000 0.000 0.000) 0.000 15.075 ( 0.000 0.000 0.000) 0.000 15.544 ( 0.000 0.000 0.000) 0.000 15.646 ( 0.000 0.000 0.000) 0.000 15.653 ( 0.000 0.000 0.000) 0.000 15.662 ( 0.000 0.000 0.000) 0.000 15.750 ( 0.000 0.000 0.000) 0.000 16.121 ( 0.000 0.000 0.000) 0.000 16.238 ( 0.000 0.000 0.000) 0.000 16.298 ( 0.000 0.000 0.000) 0.000 16.342 ( 0.000 0.000 0.000) 0.000 16.375 ( 0.000 0.000 0.000) 0.000 17.122 ( 0.000 0.000 0.000) 0.000 17.138 ( 0.000 0.000 0.000) 0.000 17.141 ( 0.000 0.000 0.000) 0.000 17.212 ( 0.000 0.000 0.000) 0.000 19.542 ( 0.000 0.000 0.000) 0.000 19.706 ( 0.000 0.000 0.000) 0.000 19.838 ( 0.000 0.000 0.000) 0.000 19.845 ( 0.000 0.000 0.000) 0.000 20.559 ( 0.000 0.000 0.000) 0.000 20.598 ( 0.000 0.000 0.000) 0.000 20.759 ( 0.000 0.000 0.000) 0.000 20.823 ( 0.000 0.000 0.000) 0.000 21.534 ( 0.000 0.000 0.000) 0.000 21.627 ( 0.000 0.000 0.000) 0.000 21.695 ( 0.000 0.000 0.000) 0.000 21.757 ( 0.000 0.000 0.000) 0.000 22.910 ( 0.000 0.000 0.000) 0.000 23.038 ( 0.000 0.000 0.000) 0.000 23.141 ( 0.000 0.000 0.000) 0.000 23.171 ( 0.000 0.000 0.000) 0.000 26.549 ( 0.000 0.000 0.000) 0.000 26.562 ( 0.000 0.000 0.000) 0.000 26.568 ( 0.000 0.000 0.000) 0.000 26.587 ( 0.000 0.000 0.000) 0.000 29.371 ( 0.000 0.000 0.000) 0.000 29.392 ( 0.000 0.000 0.000) 0.000 29.472 ( 0.000 0.000 0.000) 0.000 29.531 ( 0.000 0.000 0.000) 0.000 29.709 ( 0.000 0.000 0.000) 0.000 29.755 ( 0.000 0.000 0.000) 0.000 30.081 ( 0.000 0.000 0.000) 0.000 30.522 ( 0.000 0.000 0.000) 0.000 30.547 ( 0.000 0.000 0.000) 0.000 30.625 ( 0.000 0.000 0.000) 0.000 30.742 ( 0.000 0.000 0.000) 0.000 30.992 ( 0.000 0.000 0.000) 0.000 31.487 ( 0.000 0.000 0.000) 0.000 31.489 ( 0.000 0.000 0.000) 0.000 31.735 ( 0.000 0.000 0.000) 0.000 32.066 ( 0.000 0.000 0.000) 0.000 32.092 ( 0.000 0.000 0.000) 0.000 32.113 ( 0.000 0.000 0.000) 0.000 32.195 ( 0.000 0.000 0.000) 0.000 32.262 ( 0.000 0.000 0.000) 0.000 32.277 ( 0.000 0.000 0.000) 0.000 32.357 ( 0.000 0.000 0.000) 0.000 32.357 ( 0.000 0.000 0.000) 0.000 33.264 ( 0.000 0.000 0.000) 0.000 33.345 ( 0.000 0.000 0.000) 0.000 33.875 ( 0.000 0.000 0.000) 0.000 33.922 ( 0.000 0.000 0.000) 0.000 34.241 ( 0.000 0.000 0.000) 0.000 34.738 ( 0.000 0.000 0.000) 0.000 34.773 ( 0.000 0.000 0.000) 0.000 34.807 ( 0.000 0.000 0.000) 0.000 34.828 ( 0.000 0.000 0.000) 0.000 35.287 ( 0.000 0.000 0.000) 0.000 35.334 ( 0.000 0.000 0.000) 0.000 35.345 ( 0.000 0.000 0.000) 0.000 35.401 ( 0.000 0.000 0.000) 0.000 35.435 ( 0.000 0.000 0.000) 0.000 35.581 ( 0.000 0.000 0.000) 0.000 35.617 ( 0.000 0.000 0.000) 0.000 35.812 ( 0.000 0.000 0.000) 0.000 36.028 ( 0.000 0.000 0.000) 0.000 36.031 ( 0.000 0.000 0.000) 0.000 37.821 ( 0.000 0.000 0.000) 0.000 38.556 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 21.253 0.000 18.054) 27.886 0.626 ( 26.439 0.000 11.919) 29.002 1.015 ( 41.359 0.000 22.385) 47.028 1.590 ( 9.086 0.000 0.738) 9.116 1.675 ( 0.376 0.000 12.853) 12.859 1.895 ( -6.892 0.000 0.637) 6.921 2.094 ( -4.737 0.000 3.455) 5.863 2.151 ( 5.022 0.000 6.799) 8.452 2.221 ( 4.870 0.000 -12.428) 13.348 2.248 ( 7.001 0.000 4.990) 8.597 2.395 ( -1.253 0.000 -0.624) 1.400 2.476 ( -4.995 0.000 8.852) 10.164 2.571 ( -4.203 0.000 2.044) 4.674 2.668 ( 0.260 0.000 -5.771) 5.777 2.793 ( 3.512 0.000 -10.133) 10.724 2.819 ( -4.190 0.000 -9.899) 10.749 2.869 ( 6.486 0.000 0.235) 6.490 2.927 ( -0.824 0.000 -0.190) 0.845 2.953 ( -1.365 0.000 4.900) 5.087 3.032 ( 3.425 0.000 -1.681) 3.815 3.076 ( -1.904 0.000 1.202) 2.252 3.175 ( 1.209 0.000 2.304) 2.602 3.229 ( 2.233 0.000 -1.577) 2.734 3.232 ( -1.682 0.000 3.044) 3.478 3.326 ( 1.589 0.000 -4.635) 4.899 3.432 ( 4.468 0.000 1.157) 4.616 3.512 ( 0.057 0.000 -7.154) 7.154 3.553 ( 11.462 0.000 6.653) 13.253 3.596 ( -6.057 0.000 -6.205) 8.671 3.633 ( 1.169 0.000 12.579) 12.633 3.728 ( 12.133 0.000 -8.064) 14.569 3.777 ( -1.247 0.000 3.201) 3.435 3.809 ( 1.531 0.000 0.027) 1.531 4.050 ( 0.943 0.000 -9.834) 9.879 4.079 ( 4.879 0.000 8.957) 10.200 4.168 ( -1.282 0.000 2.544) 2.849 4.226 ( 1.896 0.000 -1.015) 2.150 4.250 ( -5.784 0.000 -6.040) 8.363 4.328 ( 3.740 0.000 -0.767) 3.818 4.472 ( -2.583 0.000 -2.831) 3.832 4.547 ( 2.096 0.000 1.103) 2.368 4.646 ( -7.271 0.000 -3.485) 8.063 4.663 ( 1.471 0.000 -7.066) 7.217 4.733 ( -5.091 0.000 3.359) 6.100 4.765 ( -11.028 0.000 0.782) 11.056 4.796 ( 1.462 0.000 -1.557) 2.136 4.865 ( -0.147 0.000 -5.017) 5.020 4.912 ( 0.317 0.000 -9.429) 9.435 4.922 ( 0.833 0.000 -2.023) 2.188 5.032 ( 2.958 0.000 4.413) 5.313 5.096 ( 2.837 0.000 2.294) 3.648 5.169 ( -3.200 0.000 1.468) 3.521 5.202 ( 6.613 0.000 -1.077) 6.701 5.240 ( -2.484 0.000 -2.358) 3.424 5.276 ( 3.724 0.000 -8.433) 9.219 5.416 ( -3.385 0.000 1.977) 3.920 5.512 ( 3.823 0.000 3.149) 4.953 5.538 ( 3.976 0.000 -3.843) 5.530 5.668 ( -5.054 0.000 -0.260) 5.061 5.766 ( 1.725 0.000 4.229) 4.567 5.791 ( -0.639 0.000 -1.609) 1.731 5.835 ( 5.338 0.000 2.328) 5.823 5.926 ( 3.731 0.000 -0.168) 3.735 5.932 ( -8.370 0.000 9.766) 12.862 6.057 ( -0.760 0.000 4.382) 4.448 6.134 ( -3.353 0.000 -5.547) 6.482 6.200 ( -12.366 0.000 10.745) 16.383 6.297 ( -3.534 0.000 -1.491) 3.836 6.471 ( -5.243 0.000 5.170) 7.363 6.483 ( -2.237 0.000 2.780) 3.569 6.624 ( 5.281 0.000 2.200) 5.721 6.624 ( 2.037 0.000 4.998) 5.397 6.742 ( 0.194 0.000 -0.606) 0.636 6.802 ( -3.050 0.000 1.775) 3.529 7.012 ( -14.721 0.000 19.215) 24.206 7.055 ( -1.562 0.000 -1.427) 2.116 7.975 ( -10.929 0.000 -0.295) 10.933 8.102 ( -17.825 0.000 -1.259) 17.869 8.252 ( -10.177 0.000 -3.540) 10.776 8.340 ( -12.199 0.000 2.021) 12.365 8.619 ( 2.969 0.000 3.282) 4.425 8.724 ( 3.833 0.000 -4.005) 5.543 8.795 ( 5.353 0.000 -0.510) 5.378 8.828 ( -2.515 0.000 -0.294) 2.532 8.956 ( 0.880 0.000 -0.164) 0.895 8.964 ( 6.605 0.000 -0.334) 6.613 9.046 ( 2.308 0.000 1.347) 2.673 9.080 ( 3.636 0.000 0.445) 3.663 9.123 ( 2.235 0.000 -0.942) 2.425 9.156 ( 2.548 0.000 -0.800) 2.671 9.246 ( 1.927 0.000 0.056) 1.928 9.394 ( -1.679 0.000 -0.528) 1.760 9.646 ( 2.088 0.000 1.781) 2.744 9.871 ( -3.220 0.000 1.193) 3.434 9.930 ( -7.943 0.000 1.757) 8.135 9.949 ( -9.206 0.000 -0.575) 9.224 10.092 ( -9.575 0.000 0.901) 9.617 10.219 ( -4.145 0.000 -3.014) 5.125 10.327 ( -9.602 0.000 -0.415) 9.611 10.367 ( -4.395 0.000 -1.403) 4.614 10.530 ( 0.378 0.000 -0.167) 0.413 10.601 ( -4.708 0.000 -3.271) 5.733 10.705 ( -1.094 0.000 2.216) 2.472 10.797 ( -3.699 0.000 -1.078) 3.853 11.218 ( 12.247 0.000 -0.403) 12.253 11.299 ( 10.412 0.000 -1.108) 10.471 11.417 ( 3.659 0.000 0.377) 3.679 11.451 ( 2.351 0.000 -0.600) 2.426 11.873 ( 2.405 0.000 -0.181) 2.411 11.967 ( -2.453 0.000 0.824) 2.588 12.005 ( -4.407 0.000 -0.366) 4.422 12.075 ( 0.327 0.000 0.111) 0.346 12.111 ( 0.795 0.000 -1.006) 1.282 12.119 ( -0.641 0.000 -0.247) 0.687 12.255 ( 3.383 0.000 1.605) 3.744 12.287 ( -1.251 0.000 -0.291) 1.285 12.531 ( 3.225 0.000 -0.557) 3.273 12.580 ( 4.208 0.000 -0.777) 4.279 12.814 ( 1.705 0.000 1.000) 1.976 12.851 ( -0.405 0.000 -0.287) 0.497 13.203 ( 1.736 0.000 -0.027) 1.736 13.284 ( -0.042 0.000 0.098) 0.106 13.425 ( 14.262 0.000 -0.144) 14.263 13.814 ( 16.403 0.000 -16.756) 23.449 13.929 ( -8.911 0.000 0.183) 8.913 13.929 ( -11.080 0.000 0.079) 11.080 14.182 ( -3.245 0.000 1.691) 3.659 14.244 ( -2.469 0.000 0.584) 2.537 14.248 ( -0.218 0.000 0.122) 0.250 14.361 ( -6.092 0.000 -0.110) 6.093 14.664 ( -1.969 0.000 1.079) 2.245 14.678 ( 10.158 0.000 0.578) 10.175 14.770 ( 4.144 0.000 -0.152) 4.147 14.922 ( 10.337 0.000 1.055) 10.391 15.070 ( 12.598 0.000 0.269) 12.601 15.122 ( 7.587 0.000 -1.753) 7.787 15.167 ( 11.298 0.000 -1.770) 11.436 15.386 ( -2.087 0.000 -4.546) 5.003 15.520 ( -2.952 0.000 0.953) 3.102 15.573 ( -3.103 0.000 -0.352) 3.123 15.629 ( -1.101 0.000 -0.002) 1.101 15.753 ( -1.409 0.000 2.524) 2.891 15.791 ( 11.650 0.000 -9.342) 14.933 16.142 ( -2.994 0.000 -4.175) 5.137 16.294 ( 3.560 0.000 1.910) 4.040 16.339 ( 3.736 0.000 0.402) 3.757 16.370 ( 4.025 0.000 -1.439) 4.274 16.668 ( 15.371 0.000 -28.564) 32.437 17.121 ( 0.047 0.000 -0.175) 0.181 17.148 ( 0.551 0.000 0.626) 0.834 17.150 ( 0.395 0.000 -0.637) 0.749 17.226 ( 1.347 0.000 0.094) 1.350 19.571 ( 2.519 0.000 0.705) 2.616 19.745 ( 5.422 0.000 -1.864) 5.733 19.840 ( -0.550 0.000 0.644) 0.847 19.862 ( 3.628 0.000 -1.177) 3.814 20.493 ( -6.614 0.000 -0.519) 6.634 20.554 ( -5.558 0.000 1.285) 5.705 20.768 ( -3.050 0.000 -1.196) 3.276 20.798 ( -3.219 0.000 0.565) 3.268 21.620 ( 7.962 0.000 1.730) 8.148 21.694 ( 0.542 0.000 5.265) 5.293 21.780 ( 8.132 0.000 -0.851) 8.176 21.797 ( 5.044 0.000 -0.593) 5.079 22.858 ( -4.560 0.000 -1.811) 4.906 22.995 ( -3.928 0.000 -1.413) 4.174 23.050 ( -10.227 0.000 1.371) 10.318 23.134 ( -4.820 0.000 0.478) 4.843 26.633 ( 9.633 0.000 -0.033) 9.633 26.663 ( 12.974 0.000 -0.942) 13.008 26.721 ( 14.756 0.000 1.326) 14.815 27.660 ( 39.981 0.000 -54.101) 67.272 29.089 ( -23.333 0.000 0.079) 23.333 29.111 ( -22.484 0.000 0.701) 22.495 29.355 ( -10.945 0.000 1.257) 11.017 29.506 ( -19.100 0.000 0.520) 19.107 29.868 ( 19.484 0.000 0.738) 19.498 29.956 ( 19.216 0.000 -1.660) 19.288 30.320 ( 15.321 0.000 3.658) 15.752 30.569 ( 2.529 0.000 0.629) 2.606 30.635 ( 1.876 0.000 -0.652) 1.986 30.645 ( 4.349 0.000 -2.984) 5.274 30.802 ( 7.187 0.000 -0.558) 7.209 31.367 ( 19.120 0.000 -34.256) 39.230 31.478 ( -2.468 0.000 1.167) 2.730 31.488 ( 1.393 0.000 -4.614) 4.820 31.763 ( -0.921 0.000 2.074) 2.269 31.923 ( -6.499 0.000 0.896) 6.561 31.959 ( -10.031 0.000 -1.339) 10.120 32.064 ( -4.037 0.000 -4.396) 5.969 32.172 ( -4.006 0.000 -1.439) 4.256 32.338 ( 14.417 0.000 -0.521) 14.427 32.428 ( 9.489 0.000 0.141) 9.491 32.518 ( 16.399 0.000 -1.427) 16.461 32.589 ( 13.795 0.000 0.334) 13.799 33.218 ( -5.305 0.000 -3.287) 6.240 33.334 ( -2.710 0.000 2.169) 3.471 33.802 ( -4.756 0.000 -4.110) 6.286 33.822 ( -11.765 0.000 -32.288) 34.364 33.865 ( -5.303 0.000 -3.009) 6.097 34.763 ( -0.723 0.000 -0.758) 1.048 34.838 ( -0.439 0.000 1.516) 1.578 34.864 ( 3.143 0.000 5.935) 6.716 34.933 ( -0.154 0.000 0.460) 0.485 35.354 ( 1.815 0.000 0.703) 1.946 35.394 ( 2.609 0.000 3.880) 4.676 35.413 ( 5.992 0.000 -11.501) 12.969 35.446 ( 2.333 0.000 3.889) 4.535 35.551 ( 7.089 0.000 -6.330) 9.503 35.597 ( 1.563 0.000 0.362) 1.605 35.831 ( -3.183 0.000 21.677) 21.910 36.015 ( -1.854 0.000 2.397) 3.030 36.108 ( 9.052 0.000 5.845) 10.775 37.242 ( -48.854 0.000 70.678) 85.919 37.717 ( -7.508 0.000 -6.053) 9.644 38.447 ( -11.592 0.000 -1.188) 11.653 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 19.801 0.000 16.188) 25.576 1.163 ( 18.628 0.000 10.299) 21.286 1.696 ( 3.445 0.000 7.734) 8.466 1.832 ( 12.342 0.000 7.129) 14.253 1.920 ( 20.540 0.000 9.996) 22.843 2.046 ( 10.108 0.000 9.867) 14.126 2.050 ( -4.496 0.000 3.829) 5.906 2.111 ( 5.196 0.000 6.128) 8.035 2.399 ( -0.758 0.000 -6.357) 6.402 2.423 ( 9.616 0.000 5.119) 10.893 2.438 ( 4.385 0.000 1.462) 4.622 2.523 ( -2.386 0.000 2.787) 3.669 2.546 ( -3.684 0.000 -12.882) 13.398 2.636 ( 7.890 0.000 9.378) 12.255 2.645 ( 4.226 0.000 -5.586) 7.005 2.739 ( 3.310 0.000 -5.003) 5.999 2.762 ( -4.310 0.000 1.736) 4.646 2.974 ( -2.732 0.000 6.091) 6.676 2.994 ( 7.089 0.000 -3.700) 7.997 3.052 ( -10.428 0.000 -3.265) 10.928 3.131 ( 0.301 0.000 11.111) 11.115 3.147 ( -8.768 0.000 -1.857) 8.962 3.223 ( -3.557 0.000 -8.799) 9.491 3.277 ( 6.865 0.000 -1.479) 7.023 3.319 ( 3.336 0.000 -3.630) 4.930 3.440 ( 10.179 0.000 -0.647) 10.200 3.463 ( 6.735 0.000 -0.705) 6.772 3.574 ( 4.433 0.000 3.862) 5.879 3.650 ( 0.407 0.000 -3.811) 3.832 3.774 ( -0.950 0.000 -6.155) 6.228 3.815 ( 0.791 0.000 2.249) 2.384 3.831 ( 0.095 0.000 -0.597) 0.604 3.881 ( 5.821 0.000 6.693) 8.870 3.990 ( 4.471 0.000 -4.312) 6.212 4.129 ( -0.631 0.000 -0.686) 0.932 4.190 ( 1.769 0.000 1.579) 2.371 4.258 ( 1.891 0.000 1.003) 2.141 4.303 ( 2.452 0.000 10.276) 10.564 4.309 ( -1.550 0.000 -6.321) 6.509 4.393 ( -0.698 0.000 -3.949) 4.011 4.514 ( -2.665 0.000 -3.701) 4.561 4.545 ( 0.265 0.000 -3.216) 3.227 4.590 ( -3.995 0.000 -3.616) 5.389 4.636 ( -5.436 0.000 5.844) 7.982 4.704 ( -0.601 0.000 1.921) 2.013 4.750 ( -1.936 0.000 -3.425) 3.935 4.795 ( 3.153 0.000 -11.821) 12.235 4.867 ( 6.429 0.000 -4.524) 7.861 4.919 ( -0.637 0.000 -1.011) 1.195 5.021 ( -8.871 0.000 -2.023) 9.098 5.096 ( -1.039 0.000 3.594) 3.741 5.160 ( -1.328 0.000 -1.475) 1.985 5.216 ( 5.214 0.000 -0.780) 5.272 5.240 ( -4.525 0.000 0.067) 4.525 5.271 ( -2.339 0.000 0.019) 2.339 5.406 ( 3.916 0.000 -1.364) 4.147 5.508 ( -2.176 0.000 -0.904) 2.357 5.592 ( 1.689 0.000 -0.337) 1.722 5.621 ( 0.832 0.000 -2.426) 2.565 5.746 ( -2.810 0.000 -1.021) 2.990 5.810 ( -3.000 0.000 5.206) 6.008 5.949 ( 3.772 0.000 3.200) 4.946 5.962 ( -0.967 0.000 4.774) 4.871 5.967 ( -1.170 0.000 -5.435) 5.559 6.025 ( 2.887 0.000 1.811) 3.408 6.082 ( 0.119 0.000 0.573) 0.585 6.140 ( -2.894 0.000 4.432) 5.293 6.246 ( -4.686 0.000 0.308) 4.696 6.448 ( -0.562 0.000 -0.014) 0.563 6.473 ( -2.803 0.000 3.718) 4.657 6.689 ( 0.332 0.000 -1.688) 1.720 6.694 ( 1.700 0.000 1.269) 2.121 6.757 ( 3.695 0.000 -0.777) 3.776 6.758 ( -3.284 0.000 0.936) 3.415 6.985 ( -3.717 0.000 -2.614) 4.545 6.992 ( -7.542 0.000 8.546) 11.398 7.749 ( -19.157 0.000 -2.501) 19.320 7.750 ( -13.856 0.000 -0.112) 13.856 7.988 ( -14.310 0.000 -4.122) 14.892 8.138 ( -14.157 0.000 3.152) 14.504 8.696 ( -0.025 0.000 4.163) 4.163 8.723 ( 2.827 0.000 -4.398) 5.228 8.771 ( -3.663 0.000 0.769) 3.743 8.858 ( 2.501 0.000 -0.261) 2.514 8.973 ( 1.684 0.000 -0.545) 1.770 9.064 ( 4.435 0.000 0.788) 4.504 9.080 ( -0.208 0.000 1.378) 1.393 9.138 ( 1.653 0.000 -1.302) 2.104 9.203 ( 7.335 0.000 0.073) 7.335 9.207 ( 5.516 0.000 -1.127) 5.630 9.314 ( 5.729 0.000 -0.374) 5.742 9.348 ( -2.518 0.000 -0.411) 2.551 9.711 ( 1.131 0.000 0.270) 1.162 9.730 ( -13.225 0.000 -0.724) 13.244 9.794 ( -7.668 0.000 0.361) 7.677 9.800 ( -8.830 0.000 5.072) 10.183 9.907 ( -11.977 0.000 0.720) 11.998 10.101 ( -3.744 0.000 -3.878) 5.391 10.201 ( -5.119 0.000 2.370) 5.642 10.240 ( -6.737 0.000 -2.770) 7.284 10.477 ( -4.549 0.000 -2.448) 5.166 10.530 ( -0.771 0.000 0.567) 0.957 10.698 ( -2.676 0.000 1.052) 2.876 10.719 ( -3.608 0.000 -0.584) 3.655 11.435 ( 12.415 0.000 -0.304) 12.419 11.486 ( 8.731 0.000 0.675) 8.757 11.502 ( 6.197 0.000 -1.117) 6.296 11.507 ( 5.804 0.000 0.513) 5.826 11.910 ( -0.586 0.000 1.431) 1.546 11.942 ( -1.815 0.000 0.450) 1.870 11.952 ( 0.909 0.000 0.121) 0.917 12.028 ( -3.201 0.000 0.168) 3.206 12.108 ( -0.466 0.000 -0.708) 0.848 12.177 ( 4.023 0.000 0.232) 4.030 12.265 ( 1.455 0.000 -1.180) 1.874 12.307 ( 1.060 0.000 -0.260) 1.092 12.590 ( 3.794 0.000 0.589) 3.840 12.644 ( 3.719 0.000 -0.547) 3.759 12.838 ( -0.795 0.000 -0.151) 0.809 12.849 ( 0.368 0.000 0.471) 0.598 13.244 ( 2.917 0.000 0.130) 2.920 13.299 ( 1.743 0.000 0.111) 1.746 13.691 ( 2.017 0.000 1.163) 2.328 13.750 ( -10.358 0.000 -0.129) 10.358 13.785 ( 6.598 0.000 0.992) 6.672 13.915 ( 10.906 0.000 -6.186) 12.538 14.165 ( 0.592 0.000 0.591) 0.836 14.211 ( -3.199 0.000 -0.103) 3.200 14.259 ( 2.635 0.000 0.751) 2.740 14.293 ( -1.822 0.000 -0.462) 1.879 14.635 ( -3.689 0.000 1.707) 4.065 14.703 ( -4.187 0.000 -1.504) 4.449 14.924 ( 10.032 0.000 0.080) 10.033 15.088 ( 5.192 0.000 0.402) 5.207 15.237 ( 7.454 0.000 -0.411) 7.466 15.275 ( 8.172 0.000 0.003) 8.172 15.326 ( 0.568 0.000 0.554) 0.794 15.331 ( 4.694 0.000 -0.574) 4.729 15.471 ( 0.819 0.000 -0.496) 0.958 15.544 ( 0.026 0.000 -0.562) 0.563 15.731 ( 10.484 0.000 1.160) 10.548 15.781 ( 1.723 0.000 3.118) 3.562 15.836 ( 4.318 0.000 -4.663) 6.355 16.033 ( -0.678 0.000 -6.404) 6.440 16.339 ( -0.545 0.000 0.931) 1.079 16.422 ( 2.576 0.000 2.469) 3.568 16.426 ( 3.686 0.000 -1.698) 4.058 16.561 ( 0.189 0.000 -9.666) 9.668 17.122 ( 0.514 0.000 -0.185) 0.546 17.153 ( 0.576 0.000 0.132) 0.591 17.174 ( 1.452 0.000 0.440) 1.517 17.251 ( 1.271 0.000 -0.024) 1.271 19.656 ( 6.904 0.000 0.211) 6.908 19.803 ( 4.619 0.000 -3.778) 5.967 19.890 ( 5.863 0.000 1.354) 6.017 19.931 ( 6.311 0.000 -1.833) 6.572 20.344 ( -9.684 0.000 -0.092) 9.685 20.447 ( -8.745 0.000 1.289) 8.839 20.662 ( -6.353 0.000 -2.097) 6.691 20.728 ( -5.587 0.000 0.386) 5.600 21.809 ( 10.735 0.000 1.066) 10.787 21.811 ( 7.260 0.000 1.501) 7.413 21.918 ( 9.816 0.000 -0.233) 9.819 21.941 ( 11.240 0.000 -0.178) 11.241 22.726 ( -7.866 0.000 -1.656) 8.038 22.868 ( -10.626 0.000 0.583) 10.642 22.881 ( -9.323 0.000 0.775) 9.355 23.015 ( -9.507 0.000 0.348) 9.514 26.870 ( 17.032 0.000 0.655) 17.045 26.947 ( 19.955 0.000 -1.329) 19.999 27.081 ( 23.526 0.000 3.560) 23.794 27.704 ( 21.823 0.000 -25.128) 33.282 28.677 ( -23.959 0.000 0.253) 23.960 28.728 ( -21.908 0.000 -0.426) 21.912 29.106 ( -19.087 0.000 1.206) 19.125 29.169 ( -20.529 0.000 -0.221) 20.530 30.194 ( 16.824 0.000 1.141) 16.862 30.249 ( 16.414 0.000 -1.351) 16.469 30.553 ( 6.909 0.000 1.763) 7.131 30.675 ( 3.243 0.000 -0.149) 3.247 30.684 ( 9.045 0.000 2.086) 9.283 30.708 ( 6.897 0.000 -2.508) 7.339 30.961 ( 11.805 0.000 -1.207) 11.866 31.262 ( 4.233 0.000 -15.151) 15.731 31.391 ( -7.828 0.000 -1.244) 7.926 31.407 ( -8.909 0.000 2.752) 9.324 31.691 ( -8.673 0.000 -0.045) 8.673 31.787 ( -8.808 0.000 -1.385) 8.916 31.882 ( 1.348 0.000 0.330) 1.387 31.990 ( 0.991 0.000 -2.750) 2.923 32.212 ( 8.174 0.000 -0.006) 8.174 32.591 ( 13.769 0.000 0.769) 13.790 32.598 ( 7.809 0.000 -0.347) 7.817 32.717 ( 7.860 0.000 -8.156) 11.327 32.833 ( 14.311 0.000 -0.062) 14.311 32.975 ( -0.727 0.000 -14.260) 14.279 33.310 ( -4.050 0.000 3.629) 5.438 33.408 ( -5.465 0.000 -8.182) 9.839 33.643 ( -7.328 0.000 -3.722) 8.219 33.707 ( -8.131 0.000 -4.170) 9.138 34.730 ( -1.301 0.000 -1.512) 1.995 34.832 ( -1.698 0.000 0.180) 1.708 34.949 ( 0.572 0.000 1.473) 1.580 34.971 ( 2.330 0.000 4.339) 4.925 35.368 ( 2.194 0.000 -7.113) 7.444 35.405 ( 2.430 0.000 1.106) 2.670 35.518 ( 4.599 0.000 5.721) 7.340 35.554 ( 2.491 0.000 4.606) 5.237 35.593 ( 4.212 0.000 -3.334) 5.372 35.657 ( 3.929 0.000 3.394) 5.191 35.877 ( -3.924 0.000 2.895) 4.876 36.017 ( -0.006 0.000 0.212) 0.212 36.473 ( 9.119 0.000 18.718) 20.821 37.276 ( -20.509 0.000 31.730) 37.781 37.441 ( -12.032 0.000 -9.932) 15.602 38.147 ( -18.979 0.000 -3.328) 19.269 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 8.054 0.000 2.954) 8.578 1.615 ( 13.814 0.000 8.638) 16.292 1.912 ( 4.575 0.000 2.967) 5.453 2.016 ( 11.252 0.000 6.558) 13.024 2.018 ( -4.824 0.000 2.696) 5.527 2.072 ( -1.561 0.000 2.405) 2.867 2.154 ( -7.595 0.000 -11.163) 13.502 2.286 ( 0.385 0.000 -3.549) 3.570 2.367 ( 3.732 0.000 10.845) 11.469 2.465 ( 1.508 0.000 6.470) 6.643 2.527 ( -0.739 0.000 -7.947) 7.981 2.569 ( 1.585 0.000 3.967) 4.272 2.608 ( 9.658 0.000 1.941) 9.851 2.666 ( 4.865 0.000 8.476) 9.773 2.763 ( -5.558 0.000 -5.173) 7.593 2.792 ( 7.650 0.000 8.168) 11.191 2.842 ( -1.536 0.000 -1.192) 1.945 2.887 ( 6.703 0.000 -3.854) 7.732 2.979 ( -1.385 0.000 3.406) 3.677 2.992 ( -2.946 0.000 -3.601) 4.653 3.112 ( 7.420 0.000 2.682) 7.890 3.188 ( 6.813 0.000 -2.952) 7.425 3.334 ( 1.804 0.000 6.474) 6.720 3.414 ( 8.990 0.000 5.333) 10.453 3.430 ( 10.568 0.000 0.158) 10.569 3.497 ( 3.040 0.000 0.899) 3.170 3.524 ( -4.658 0.000 -7.589) 8.905 3.662 ( 1.853 0.000 2.144) 2.833 3.663 ( 2.810 0.000 -6.525) 7.105 3.730 ( 8.370 0.000 5.579) 10.059 3.783 ( -0.632 0.000 -4.918) 4.959 3.851 ( -0.880 0.000 2.703) 2.843 3.949 ( -3.277 0.000 3.715) 4.954 3.997 ( 0.778 0.000 -0.196) 0.803 4.108 ( -2.301 0.000 1.385) 2.686 4.143 ( -3.673 0.000 -6.274) 7.270 4.262 ( 1.630 0.000 0.757) 1.797 4.287 ( -1.416 0.000 -3.385) 3.669 4.352 ( -0.944 0.000 -5.820) 5.896 4.387 ( -0.782 0.000 1.023) 1.288 4.470 ( -3.942 0.000 -1.660) 4.277 4.494 ( 5.587 0.000 -2.726) 6.217 4.549 ( -1.292 0.000 1.965) 2.352 4.640 ( -5.774 0.000 6.716) 8.857 4.683 ( 1.736 0.000 -2.619) 3.142 4.722 ( -2.083 0.000 3.398) 3.985 4.756 ( 4.165 0.000 -3.283) 5.303 4.877 ( -2.611 0.000 1.185) 2.868 4.904 ( -1.157 0.000 -0.603) 1.305 4.933 ( 6.746 0.000 -4.506) 8.113 5.080 ( -8.250 0.000 1.309) 8.353 5.130 ( 2.091 0.000 -3.608) 4.171 5.171 ( -0.353 0.000 2.040) 2.071 5.195 ( -0.622 0.000 -2.571) 2.645 5.252 ( -0.738 0.000 -3.293) 3.375 5.438 ( 0.142 0.000 -0.800) 0.812 5.491 ( -0.040 0.000 0.329) 0.332 5.570 ( -0.419 0.000 -3.265) 3.292 5.574 ( -3.360 0.000 -1.196) 3.567 5.630 ( -6.206 0.000 -2.580) 6.721 5.812 ( -2.607 0.000 4.179) 4.925 5.936 ( -5.316 0.000 1.859) 5.631 5.952 ( -0.070 0.000 0.176) 0.190 6.067 ( 6.115 0.000 2.930) 6.781 6.078 ( -0.122 0.000 -1.277) 1.283 6.121 ( -0.035 0.000 -1.886) 1.887 6.156 ( 4.485 0.000 1.366) 4.688 6.235 ( 4.558 0.000 1.853) 4.920 6.469 ( 3.629 0.000 -0.247) 3.637 6.495 ( -0.161 0.000 3.095) 3.099 6.633 ( -1.471 0.000 -3.495) 3.792 6.685 ( -5.654 0.000 -1.889) 5.961 6.724 ( 0.872 0.000 -0.602) 1.060 6.830 ( 4.698 0.000 0.357) 4.711 6.919 ( 0.519 0.000 -0.811) 0.963 6.962 ( -4.886 0.000 4.363) 6.550 7.423 ( -13.747 0.000 -2.376) 13.951 7.523 ( -11.291 0.000 -0.398) 11.298 7.692 ( -12.760 0.000 -4.059) 13.390 7.950 ( -10.986 0.000 2.315) 11.227 8.722 ( 1.885 0.000 -2.613) 3.222 8.728 ( -0.720 0.000 2.645) 2.741 8.741 ( -1.541 0.000 1.657) 2.263 8.878 ( 0.237 0.000 -0.051) 0.243 9.000 ( 1.737 0.000 -0.195) 1.748 9.083 ( -0.642 0.000 0.667) 0.926 9.095 ( -1.798 0.000 -0.915) 2.017 9.152 ( 3.319 0.000 -0.848) 3.425 9.283 ( 3.708 0.000 -0.916) 3.820 9.326 ( 0.230 0.000 1.175) 1.197 9.347 ( 7.087 0.000 1.292) 7.203 9.406 ( 5.783 0.000 -1.010) 5.870 9.507 ( -11.266 0.000 0.154) 11.267 9.597 ( -8.568 0.000 -0.027) 8.568 9.672 ( -4.804 0.000 -0.927) 4.892 9.731 ( -9.236 0.000 1.094) 9.301 9.854 ( 3.008 0.000 4.013) 5.016 10.008 ( -2.193 0.000 -2.658) 3.446 10.089 ( -6.084 0.000 -2.901) 6.740 10.190 ( -1.311 0.000 3.056) 3.326 10.403 ( -1.661 0.000 -0.848) 1.865 10.521 ( -0.791 0.000 0.498) 0.935 10.644 ( -3.250 0.000 -0.560) 3.298 10.669 ( -1.700 0.000 -0.212) 1.713 11.547 ( 2.289 0.000 -0.256) 2.303 11.594 ( 4.256 0.000 0.835) 4.337 11.617 ( 6.848 0.000 -0.459) 6.863 11.651 ( 6.562 0.000 -0.040) 6.562 11.910 ( -1.540 0.000 -0.256) 1.561 11.932 ( 0.791 0.000 3.197) 3.293 11.975 ( -2.817 0.000 -0.092) 2.819 11.993 ( 1.860 0.000 -0.220) 1.873 12.087 ( -0.581 0.000 -0.593) 0.830 12.236 ( 2.283 0.000 0.566) 2.352 12.294 ( -0.269 0.000 -1.768) 1.788 12.327 ( 5.251 0.000 0.008) 5.251 12.667 ( 3.652 0.000 0.973) 3.779 12.678 ( 0.605 0.000 -0.162) 0.627 12.821 ( -1.066 0.000 0.109) 1.071 12.823 ( -3.366 0.000 -0.185) 3.372 13.310 ( 4.484 0.000 0.277) 4.493 13.341 ( 2.782 0.000 -0.085) 2.784 13.584 ( -6.183 0.000 0.563) 6.208 13.590 ( -7.826 0.000 -0.268) 7.831 14.010 ( 5.212 0.000 -1.609) 5.455 14.074 ( 13.646 0.000 2.429) 13.861 14.185 ( 0.951 0.000 -0.351) 1.013 14.216 ( 3.654 0.000 -0.116) 3.656 14.259 ( -1.059 0.000 -0.495) 1.169 14.338 ( 5.884 0.000 0.103) 5.885 14.555 ( -9.758 0.000 -1.603) 9.889 14.579 ( -5.538 0.000 2.127) 5.932 15.058 ( 4.977 0.000 0.144) 4.980 15.105 ( -0.414 0.000 -0.295) 0.509 15.325 ( -0.884 0.000 0.857) 1.231 15.326 ( -3.757 0.000 -0.352) 3.773 15.349 ( 4.191 0.000 -0.347) 4.205 15.381 ( 4.099 0.000 1.187) 4.267 15.525 ( 2.225 0.000 0.854) 2.384 15.547 ( 1.264 0.000 -1.237) 1.769 15.883 ( 5.559 0.000 -0.843) 5.623 15.896 ( 7.325 0.000 0.989) 7.391 15.934 ( 9.595 0.000 0.659) 9.618 15.984 ( 2.833 0.000 -5.207) 5.928 16.327 ( -1.141 0.000 0.993) 1.513 16.409 ( -2.798 0.000 -2.332) 3.643 16.449 ( -2.865 0.000 2.012) 3.501 16.482 ( -0.382 0.000 -1.882) 1.921 17.137 ( 1.057 0.000 0.157) 1.069 17.179 ( 1.763 0.000 0.759) 1.919 17.197 ( 0.774 0.000 -0.140) 0.786 17.260 ( 0.050 0.000 -0.616) 0.618 19.812 ( 10.053 0.000 0.912) 10.094 19.858 ( 7.282 0.000 -2.957) 7.860 20.022 ( 6.087 0.000 -1.776) 6.341 20.029 ( 7.531 0.000 0.827) 7.576 20.172 ( -10.446 0.000 0.795) 10.477 20.284 ( -10.954 0.000 0.310) 10.959 20.530 ( -5.830 0.000 -1.059) 5.926 20.624 ( -5.952 0.000 -0.336) 5.961 21.953 ( 7.519 0.000 0.054) 7.519 21.987 ( 9.133 0.000 -0.315) 9.139 22.110 ( 11.020 0.000 0.018) 11.020 22.143 ( 11.260 0.000 -0.073) 11.260 22.568 ( -7.714 0.000 -1.045) 7.785 22.694 ( -11.020 0.000 2.753) 11.359 22.732 ( -7.695 0.000 -0.803) 7.736 22.835 ( -10.628 0.000 0.025) 10.628 27.205 ( 18.831 0.000 1.471) 18.889 27.264 ( 17.983 0.000 -1.894) 18.082 27.592 ( 26.165 0.000 7.403) 27.192 27.787 ( 13.469 0.000 -12.012) 18.048 28.299 ( -19.691 0.000 0.850) 19.710 28.366 ( -17.572 0.000 -1.575) 17.642 28.777 ( -18.717 0.000 1.163) 18.753 28.786 ( -21.020 0.000 -3.781) 21.358 30.468 ( 12.465 0.000 2.212) 12.660 30.473 ( 10.969 0.000 -1.096) 11.023 30.655 ( 2.767 0.000 1.928) 3.373 30.722 ( 1.377 0.000 -0.464) 1.453 30.818 ( 9.035 0.000 -2.048) 9.264 30.868 ( 9.559 0.000 0.662) 9.582 31.138 ( -5.795 0.000 -3.764) 6.910 31.141 ( 10.983 0.000 -2.461) 11.255 31.248 ( -3.263 0.000 -3.165) 4.545 31.262 ( -10.638 0.000 2.284) 10.880 31.508 ( -11.089 0.000 0.005) 11.089 31.604 ( -9.041 0.000 -2.486) 9.376 31.959 ( 4.806 0.000 0.829) 4.877 32.019 ( 3.023 0.000 0.667) 3.096 32.358 ( 7.337 0.000 -0.439) 7.350 32.416 ( -3.720 0.000 -16.778) 17.185 32.798 ( 8.152 0.000 1.028) 8.217 32.823 ( 7.707 0.000 3.073) 8.297 33.060 ( 11.618 0.000 -2.507) 11.885 33.071 ( 13.123 0.000 -0.406) 13.130 33.288 ( -4.579 0.000 -0.388) 4.596 33.291 ( -2.720 0.000 2.992) 4.044 33.474 ( -8.768 0.000 -0.957) 8.820 33.503 ( -9.457 0.000 -3.398) 10.049 34.688 ( -1.188 0.000 -1.421) 1.852 34.791 ( -1.908 0.000 -1.000) 2.154 34.981 ( 0.596 0.000 1.753) 1.852 35.052 ( 1.722 0.000 2.807) 3.293 35.320 ( 0.506 0.000 -4.133) 4.164 35.452 ( 1.451 0.000 0.814) 1.663 35.606 ( 1.439 0.000 -1.749) 2.265 35.606 ( 1.719 0.000 -0.812) 1.901 35.685 ( 3.662 0.000 7.783) 8.602 35.815 ( 5.738 0.000 5.836) 8.184 35.842 ( -1.664 0.000 0.221) 1.679 36.018 ( 0.430 0.000 -0.594) 0.734 36.787 ( 5.274 0.000 11.003) 12.202 37.114 ( -10.350 0.000 -8.912) 13.659 37.306 ( -8.995 0.000 14.249) 16.851 37.772 ( -16.443 0.000 -4.609) 17.077 ======================= Grid point 4 (5/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 0.000 0.000 0.000) 0.000 1.756 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 1.993 ( -0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 -0.000) 0.000 2.034 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 -0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 -0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.693 ( -0.000 0.000 0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 -0.000) 0.000 3.059 ( -0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 -0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.657 ( -0.000 0.000 -0.000) 0.000 3.697 ( 0.000 0.000 0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.150 ( -0.000 0.000 -0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 0.000) 0.000 4.558 ( 0.000 0.000 0.000) 0.000 4.578 ( -0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.749 ( -0.000 0.000 -0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 4.943 ( -0.000 0.000 -0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 4.991 ( 0.000 0.000 0.000) 0.000 5.139 ( 0.000 0.000 0.000) 0.000 5.141 ( 0.000 0.000 0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.521 ( -0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 0.000) 0.000 5.561 ( 0.000 0.000 -0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 5.945 ( 0.000 0.000 0.000) 0.000 6.039 ( -0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.235 ( -0.000 0.000 0.000) 0.000 6.307 ( 0.000 0.000 0.000) 0.000 6.523 ( -0.000 0.000 -0.000) 0.000 6.529 ( 0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 6.596 ( 0.000 0.000 0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.408 ( 0.000 0.000 0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000 7.858 ( 0.000 0.000 0.000) 0.000 8.724 ( -0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 8.740 ( 0.000 0.000 -0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 9.064 ( 0.000 0.000 0.000) 0.000 9.080 ( 0.000 0.000 -0.000) 0.000 9.176 ( 0.000 0.000 0.000) 0.000 9.324 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 9.372 ( 0.000 0.000 0.000) 0.000 9.438 ( -0.000 0.000 0.000) 0.000 9.454 ( 0.000 0.000 0.000) 0.000 9.514 ( 0.000 0.000 0.000) 0.000 9.624 ( 0.000 0.000 0.000) 0.000 9.639 ( 0.000 0.000 0.000) 0.000 9.929 ( -0.000 0.000 -0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 9.993 ( 0.000 0.000 0.000) 0.000 10.200 ( 0.000 0.000 0.000) 0.000 10.388 ( 0.000 0.000 0.000) 0.000 10.518 ( 0.000 0.000 0.000) 0.000 10.605 ( 0.000 0.000 0.000) 0.000 10.653 ( 0.000 0.000 0.000) 0.000 11.564 ( 0.000 0.000 0.000) 0.000 11.633 ( 0.000 0.000 0.000) 0.000 11.676 ( 0.000 0.000 0.000) 0.000 11.708 ( -0.000 0.000 0.000) 0.000 11.897 ( 0.000 0.000 0.000) 0.000 11.945 ( 0.000 0.000 0.000) 0.000 11.982 ( 0.000 0.000 0.000) 0.000 11.991 ( -0.000 0.000 -0.000) 0.000 12.082 ( 0.000 0.000 0.000) 0.000 12.262 ( 0.000 0.000 0.000) 0.000 12.278 ( 0.000 0.000 0.000) 0.000 12.384 ( 0.000 0.000 0.000) 0.000 12.676 ( 0.000 0.000 0.000) 0.000 12.725 ( -0.000 0.000 0.000) 0.000 12.765 ( 0.000 0.000 0.000) 0.000 12.811 ( 0.000 0.000 0.000) 0.000 13.371 ( 0.000 0.000 0.000) 0.000 13.374 ( 0.000 0.000 0.000) 0.000 13.499 ( 0.000 0.000 0.000) 0.000 13.531 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 14.175 ( 0.000 0.000 0.000) 0.000 14.220 ( 0.000 0.000 0.000) 0.000 14.250 ( 0.000 0.000 0.000) 0.000 14.354 ( 0.001 0.000 0.000) 0.001 14.354 ( -0.001 0.000 -0.000) 0.001 14.422 ( -0.000 0.000 0.000) 0.000 14.518 ( 0.000 0.000 0.000) 0.000 15.105 ( 0.000 0.000 0.000) 0.000 15.108 ( 0.000 0.000 0.000) 0.000 15.261 ( 0.000 0.000 0.000) 0.000 15.305 ( 0.000 0.000 0.000) 0.000 15.399 ( 0.000 0.000 0.000) 0.000 15.426 ( 0.000 0.000 0.000) 0.000 15.550 ( 0.000 0.000 0.000) 0.000 15.551 ( 0.000 0.000 0.000) 0.000 15.943 ( 0.000 0.000 0.000) 0.000 15.979 ( 0.000 0.000 0.000) 0.000 15.981 ( 0.000 0.000 0.000) 0.000 16.027 ( 0.000 0.000 0.000) 0.000 16.338 ( 0.000 0.000 0.000) 0.000 16.357 ( 0.000 0.000 0.000) 0.000 16.411 ( 0.000 0.000 0.000) 0.000 16.467 ( 0.000 0.000 0.000) 0.000 17.151 ( 0.000 0.000 0.000) 0.000 17.200 ( 0.000 0.000 -0.000) 0.000 17.212 ( 0.000 0.000 0.000) 0.000 17.246 ( 0.000 0.000 0.000) 0.000 19.949 ( 0.000 0.000 0.000) 0.000 19.972 ( -0.000 0.000 -0.000) 0.000 20.041 ( 0.000 0.000 0.000) 0.000 20.042 ( 0.000 0.000 0.000) 0.000 20.115 ( 0.000 0.000 0.000) 0.000 20.155 ( 0.000 0.000 0.000) 0.000 20.465 ( 0.000 0.000 0.000) 0.000 20.556 ( 0.000 0.000 0.000) 0.000 22.032 ( 0.000 0.000 0.000) 0.000 22.079 ( 0.000 0.000 0.000) 0.000 22.224 ( 0.000 0.000 0.000) 0.000 22.260 ( 0.000 0.000 0.000) 0.000 22.484 ( 0.000 0.000 0.000) 0.000 22.606 ( 0.000 0.000 0.000) 0.000 22.639 ( 0.000 0.000 -0.000) 0.000 22.718 ( 0.000 0.000 0.000) 0.000 27.432 ( 0.000 0.000 0.000) 0.000 27.440 ( 0.000 0.000 0.000) 0.000 27.822 ( 0.000 0.000 0.000) 0.000 27.984 ( 0.000 0.000 0.000) 0.000 28.104 ( 0.000 0.000 0.000) 0.000 28.180 ( 0.000 0.000 0.000) 0.000 28.469 ( 0.000 0.000 0.000) 0.000 28.595 ( 0.000 0.000 0.000) 0.000 30.571 ( 0.000 0.000 0.000) 0.000 30.655 ( -0.000 0.000 -0.000) 0.000 30.674 ( 0.000 0.000 0.000) 0.000 30.689 ( 0.000 0.000 0.000) 0.000 30.945 ( 0.000 0.000 -0.000) 0.000 30.990 ( 0.000 0.000 0.000) 0.000 30.996 ( -0.000 0.000 0.000) 0.000 31.144 ( 0.000 0.000 0.000) 0.000 31.218 ( 0.000 0.000 0.000) 0.000 31.257 ( 0.000 0.000 0.000) 0.000 31.371 ( 0.000 0.000 0.000) 0.000 31.486 ( 0.000 0.000 0.000) 0.000 32.013 ( 0.000 0.000 0.000) 0.000 32.069 ( 0.000 0.000 0.000) 0.000 32.263 ( 0.000 0.000 0.000) 0.000 32.422 ( 0.000 0.000 0.000) 0.000 32.877 ( 0.000 0.000 0.000) 0.000 32.930 ( 0.000 0.000 0.000) 0.000 33.177 ( 0.000 0.000 0.000) 0.000 33.225 ( -0.000 0.000 0.000) 0.000 33.237 ( 0.000 0.000 0.000) 0.000 33.288 ( 0.000 0.000 0.000) 0.000 33.350 ( 0.000 0.000 -0.000) 0.000 33.361 ( 0.000 0.000 0.000) 0.000 34.667 ( 0.000 0.000 0.000) 0.000 34.764 ( 0.000 0.000 0.000) 0.000 35.000 ( 0.000 0.000 0.000) 0.000 35.086 ( 0.000 0.000 0.000) 0.000 35.296 ( 0.000 0.000 -0.000) 0.000 35.470 ( 0.000 0.000 0.000) 0.000 35.599 ( 0.000 0.000 -0.000) 0.000 35.618 ( 0.000 0.000 0.000) 0.000 35.781 ( 0.000 0.000 0.000) 0.000 35.830 ( 0.000 0.000 0.000) 0.000 35.916 ( 0.000 0.000 0.000) 0.000 36.018 ( 0.000 0.000 0.000) 0.000 36.903 ( 0.000 0.000 0.000) 0.000 36.952 ( 0.000 0.000 0.000) 0.000 37.315 ( 0.000 0.000 0.000) 0.000 37.578 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/63) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 25.799 0.000) 25.799 0.622 ( 0.000 32.529 0.000) 32.529 1.036 ( 0.000 52.520 0.000) 52.520 1.398 ( 0.000 -16.115 0.000) 16.115 1.600 ( 0.000 8.925 0.000) 8.925 1.746 ( 0.000 -23.555 0.000) 23.555 2.008 ( 0.000 -7.549 0.000) 7.549 2.221 ( 0.000 5.988 0.000) 5.988 2.247 ( 0.000 10.950 0.000) 10.950 2.324 ( 0.000 11.784 0.000) 11.784 2.453 ( 0.000 -3.095 0.000) 3.095 2.538 ( 0.000 -3.065 0.000) 3.065 2.546 ( 0.000 -9.044 0.000) 9.044 2.608 ( 0.000 5.083 0.000) 5.083 2.643 ( 0.000 -7.828 0.000) 7.828 2.732 ( 0.000 -2.231 0.000) 2.231 2.861 ( 0.000 -2.975 0.000) 2.975 2.980 ( 0.000 3.608 0.000) 3.608 2.995 ( 0.000 -3.591 0.000) 3.591 3.041 ( 0.000 3.078 0.000) 3.078 3.067 ( 0.000 -4.717 0.000) 4.717 3.163 ( 0.000 -3.739 0.000) 3.739 3.201 ( 0.000 -0.179 0.000) 0.179 3.247 ( 0.000 -0.172 0.000) 0.172 3.365 ( 0.000 1.044 0.000) 1.044 3.388 ( 0.000 2.915 0.000) 2.915 3.428 ( 0.000 4.024 0.000) 4.024 3.430 ( 0.000 -9.697 0.000) 9.697 3.510 ( 0.000 -0.969 0.000) 0.969 3.705 ( 0.000 8.832 0.000) 8.832 3.728 ( 0.000 -9.064 0.000) 9.064 3.812 ( 0.000 13.347 0.000) 13.347 3.817 ( 0.000 0.233 0.000) 0.233 3.927 ( 0.000 1.558 0.000) 1.558 4.048 ( 0.000 2.538 0.000) 2.538 4.119 ( 0.000 -2.312 0.000) 2.312 4.183 ( 0.000 -1.589 0.000) 1.589 4.256 ( 0.000 -0.192 0.000) 0.192 4.302 ( 0.000 -11.579 0.000) 11.579 4.399 ( 0.000 -5.916 0.000) 5.916 4.585 ( 0.000 -0.803 0.000) 0.803 4.619 ( 0.000 -1.428 0.000) 1.428 4.738 ( 0.000 2.532 0.000) 2.532 4.779 ( 0.000 0.109 0.000) 0.109 4.827 ( 0.000 0.260 0.000) 0.260 4.839 ( 0.000 4.293 0.000) 4.293 4.898 ( 0.000 0.143 0.000) 0.143 4.936 ( 0.000 -0.774 0.000) 0.774 5.002 ( 0.000 1.660 0.000) 1.660 5.009 ( 0.000 3.777 0.000) 3.777 5.067 ( 0.000 2.755 0.000) 2.755 5.119 ( 0.000 -0.897 0.000) 0.897 5.219 ( 0.000 4.382 0.000) 4.382 5.221 ( 0.000 7.010 0.000) 7.010 5.412 ( 0.000 -1.987 0.000) 1.987 5.454 ( 0.000 1.858 0.000) 1.858 5.489 ( 0.000 -3.037 0.000) 3.037 5.560 ( 0.000 -2.183 0.000) 2.183 5.705 ( 0.000 -2.312 0.000) 2.312 5.706 ( 0.000 -5.386 0.000) 5.386 5.755 ( 0.000 -0.621 0.000) 0.621 5.779 ( 0.000 1.254 0.000) 1.254 5.865 ( 0.000 -0.015 0.000) 0.015 5.884 ( 0.000 -3.681 0.000) 3.681 6.039 ( 0.000 0.210 0.000) 0.210 6.083 ( 0.000 -2.477 0.000) 2.477 6.238 ( 0.000 4.950 0.000) 4.950 6.407 ( 0.000 -4.378 0.000) 4.378 6.420 ( 0.000 1.110 0.000) 1.110 6.541 ( 0.000 0.920 0.000) 0.920 6.550 ( 0.000 0.899 0.000) 0.899 6.663 ( 0.000 -7.264 0.000) 7.264 6.785 ( 0.000 3.156 0.000) 3.156 6.943 ( 0.000 3.360 0.000) 3.360 6.999 ( 0.000 -0.861 0.000) 0.861 7.015 ( 0.000 -6.074 0.000) 6.074 8.138 ( 0.000 5.279 0.000) 5.279 8.300 ( 0.000 -0.327 0.000) 0.327 8.345 ( 0.000 -2.069 0.000) 2.069 8.391 ( 0.000 -5.796 0.000) 5.796 8.587 ( 0.000 4.677 0.000) 4.677 8.691 ( 0.000 -0.220 0.000) 0.220 8.715 ( 0.000 -1.151 0.000) 1.151 8.834 ( 0.000 -5.467 0.000) 5.467 8.884 ( 0.000 3.660 0.000) 3.660 8.966 ( 0.000 1.423 0.000) 1.423 9.037 ( 0.000 2.092 0.000) 2.092 9.071 ( 0.000 -2.279 0.000) 2.279 9.101 ( 0.000 -0.926 0.000) 0.926 9.103 ( 0.000 -2.508 0.000) 2.508 9.250 ( 0.000 1.823 0.000) 1.823 9.393 ( 0.000 -3.795 0.000) 3.795 9.650 ( 0.000 3.445 0.000) 3.445 9.838 ( 0.000 -5.354 0.000) 5.354 10.024 ( 0.000 2.447 0.000) 2.447 10.077 ( 0.000 2.312 0.000) 2.312 10.168 ( 0.000 2.787 0.000) 2.787 10.299 ( 0.000 2.157 0.000) 2.157 10.377 ( 0.000 -5.018 0.000) 5.018 10.406 ( 0.000 -1.733 0.000) 1.733 10.524 ( 0.000 2.874 0.000) 2.874 10.679 ( 0.000 -3.652 0.000) 3.652 10.699 ( 0.000 2.799 0.000) 2.799 10.826 ( 0.000 -2.083 0.000) 2.083 11.128 ( 0.000 3.150 0.000) 3.150 11.149 ( 0.000 5.669 0.000) 5.669 11.329 ( 0.000 -6.095 0.000) 6.095 11.404 ( 0.000 -4.392 0.000) 4.392 11.873 ( 0.000 2.009 0.000) 2.009 11.973 ( 0.000 -2.769 0.000) 2.769 12.029 ( 0.000 2.010 0.000) 2.010 12.097 ( 0.000 1.270 0.000) 1.270 12.144 ( 0.000 1.488 0.000) 1.488 12.184 ( 0.000 -0.479 0.000) 0.479 12.224 ( 0.000 5.737 0.000) 5.737 12.337 ( 0.000 2.470 0.000) 2.470 12.565 ( 0.000 5.469 0.000) 5.469 12.702 ( 0.000 0.437 0.000) 0.437 12.755 ( 0.000 -3.523 0.000) 3.523 12.818 ( 0.000 -3.738 0.000) 3.738 13.205 ( 0.000 1.707 0.000) 1.707 13.250 ( 0.000 -0.660 0.000) 0.660 13.254 ( 0.000 -2.323 0.000) 2.323 13.280 ( 0.000 -1.289 0.000) 1.289 14.150 ( 0.000 12.900 0.000) 12.900 14.209 ( 0.000 1.455 0.000) 1.455 14.231 ( 0.000 -0.647 0.000) 0.647 14.285 ( 0.000 4.090 0.000) 4.090 14.420 ( 0.000 -1.695 0.000) 1.695 14.537 ( 0.000 0.346 0.000) 0.346 14.572 ( 0.000 -1.405 0.000) 1.405 14.618 ( 0.000 -1.790 0.000) 1.790 14.702 ( 0.000 1.417 0.000) 1.417 14.886 ( 0.000 -8.073 0.000) 8.073 14.942 ( 0.000 1.155 0.000) 1.155 15.032 ( 0.000 -2.243 0.000) 2.243 15.049 ( 0.000 8.654 0.000) 8.654 15.493 ( 0.000 -6.956 0.000) 6.956 15.633 ( 0.000 -0.432 0.000) 0.432 15.634 ( 0.000 -0.870 0.000) 0.870 15.666 ( 0.000 0.938 0.000) 0.938 15.713 ( 0.000 -2.407 0.000) 2.407 16.015 ( 0.000 3.539 0.000) 3.539 16.115 ( 0.000 -0.814 0.000) 0.814 16.252 ( 0.000 1.203 0.000) 1.203 16.296 ( 0.000 0.004 0.000) 0.004 16.330 ( 0.000 -1.159 0.000) 1.159 16.349 ( 0.000 -2.572 0.000) 2.572 17.140 ( 0.000 0.289 0.000) 0.289 17.148 ( 0.000 -0.033 0.000) 0.033 17.154 ( 0.000 1.149 0.000) 1.149 17.203 ( 0.000 -0.900 0.000) 0.900 19.578 ( 0.000 3.794 0.000) 3.794 19.725 ( 0.000 1.911 0.000) 1.911 19.790 ( 0.000 -4.978 0.000) 4.978 19.821 ( 0.000 -2.092 0.000) 2.092 20.566 ( 0.000 0.711 0.000) 0.711 20.594 ( 0.000 -0.423 0.000) 0.423 20.770 ( 0.000 1.149 0.000) 1.149 20.828 ( 0.000 -1.182 0.000) 1.182 21.599 ( 0.000 0.194 0.000) 0.194 21.621 ( 0.000 -0.649 0.000) 0.649 21.703 ( 0.000 0.819 0.000) 0.819 21.747 ( 0.000 -0.995 0.000) 0.995 22.925 ( 0.000 1.534 0.000) 1.534 23.016 ( 0.000 -2.359 0.000) 2.359 23.147 ( 0.000 0.544 0.000) 0.544 23.168 ( 0.000 -0.333 0.000) 0.333 26.552 ( 0.000 0.273 0.000) 0.273 26.565 ( 0.000 -0.291 0.000) 0.291 26.588 ( 0.000 0.083 0.000) 0.083 26.590 ( 0.000 -0.004 0.000) 0.004 29.380 ( 0.000 0.808 0.000) 0.808 29.405 ( 0.000 0.375 0.000) 0.375 29.507 ( 0.000 3.517 0.000) 3.517 29.605 ( 0.000 7.401 0.000) 7.401 29.704 ( 0.000 -3.025 0.000) 3.025 30.012 ( 0.000 -7.178 0.000) 7.178 30.523 ( 0.000 0.049 0.000) 0.049 30.527 ( 0.000 -0.132 0.000) 0.132 30.641 ( 0.000 1.611 0.000) 1.611 30.722 ( 0.000 -1.900 0.000) 1.900 30.940 ( 0.000 0.693 0.000) 0.693 30.981 ( 0.000 -1.057 0.000) 1.057 31.522 ( 0.000 3.525 0.000) 3.525 31.698 ( 0.000 -3.691 0.000) 3.691 32.060 ( 0.000 0.920 0.000) 0.920 32.103 ( 0.000 -0.946 0.000) 0.946 32.113 ( 0.000 2.101 0.000) 2.101 32.187 ( 0.000 -0.953 0.000) 0.953 32.261 ( 0.000 0.015 0.000) 0.015 32.273 ( 0.000 -0.379 0.000) 0.379 32.303 ( 0.000 1.102 0.000) 1.102 32.349 ( 0.000 -0.879 0.000) 0.879 33.261 ( 0.000 -0.091 0.000) 0.091 33.262 ( 0.000 -0.142 0.000) 0.142 33.880 ( 0.000 0.567 0.000) 0.567 33.914 ( 0.000 -0.810 0.000) 0.810 34.248 ( 0.000 0.662 0.000) 0.662 34.277 ( 0.000 -0.550 0.000) 0.550 34.740 ( 0.000 0.263 0.000) 0.263 34.762 ( 0.000 -0.849 0.000) 0.849 34.822 ( 0.000 1.141 0.000) 1.141 34.854 ( 0.000 -0.420 0.000) 0.420 35.305 ( 0.000 1.687 0.000) 1.687 35.351 ( 0.000 1.796 0.000) 1.796 35.352 ( 0.000 -0.306 0.000) 0.306 35.403 ( 0.000 0.337 0.000) 0.337 35.424 ( 0.000 -1.179 0.000) 1.179 35.499 ( 0.000 -4.747 0.000) 4.747 35.700 ( 0.000 4.733 0.000) 4.733 35.805 ( 0.000 -0.843 0.000) 0.843 36.019 ( 0.000 -0.813 0.000) 0.813 36.020 ( 0.000 -0.935 0.000) 0.935 38.109 ( 0.000 7.561 0.000) 7.561 38.478 ( 0.000 -7.772 0.000) 7.772 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 11.953 21.151 9.652) 26.142 0.947 ( 19.943 14.376 22.182) 33.112 1.351 ( 24.936 33.256 6.149) 42.019 1.537 ( 1.440 -14.943 12.898) 19.792 1.641 ( 4.597 4.367 2.090) 6.676 1.684 ( 1.068 -16.078 0.007) 16.114 1.993 ( -2.631 -8.951 4.158) 10.214 2.192 ( 0.378 6.145 0.671) 6.193 2.257 ( -1.397 5.323 -9.213) 10.732 2.369 ( 1.456 4.001 2.498) 4.936 2.444 ( 7.757 4.559 0.173) 8.999 2.525 ( -3.137 0.527 7.600) 8.239 2.585 ( 1.262 -4.027 -2.107) 4.717 2.626 ( 2.948 2.927 2.040) 4.628 2.695 ( 1.410 -6.952 -3.810) 8.052 2.804 ( 0.586 -1.669 -6.905) 7.128 2.864 ( 1.346 -1.579 1.666) 2.661 2.903 ( 0.137 0.180 -5.985) 5.989 2.954 ( -0.430 -1.543 -2.844) 3.264 3.052 ( 0.356 3.536 -5.947) 6.927 3.133 ( 3.903 0.088 7.495) 8.451 3.162 ( 1.744 -6.594 1.872) 7.073 3.203 ( -2.424 -0.596 1.654) 2.995 3.215 ( 0.817 2.366 1.553) 2.945 3.336 ( -2.638 0.420 -1.343) 2.990 3.390 ( 0.542 -3.798 1.120) 3.997 3.460 ( 4.047 1.676 -2.729) 5.161 3.523 ( 6.103 -4.064 5.654) 9.259 3.625 ( 3.151 -2.698 -0.679) 4.204 3.671 ( -0.684 1.306 3.984) 4.248 3.742 ( 0.920 -2.502 -0.907) 2.816 3.802 ( 2.179 7.315 -3.655) 8.462 3.826 ( 4.145 -5.211 -3.331) 7.445 3.898 ( 1.626 4.968 0.366) 5.240 4.081 ( 1.117 -1.711 -2.847) 3.505 4.119 ( 0.747 -2.767 -1.033) 3.047 4.221 ( 4.949 3.939 3.758) 7.357 4.301 ( 1.838 2.486 -1.634) 3.497 4.372 ( 1.050 -4.680 3.876) 6.167 4.430 ( 0.962 -2.362 0.413) 2.584 4.556 ( -1.299 -0.471 1.389) 1.960 4.595 ( -4.742 -3.829 -0.342) 6.104 4.682 ( -3.621 -0.104 -4.522) 5.794 4.738 ( -3.112 -0.214 2.442) 3.962 4.770 ( -2.614 2.008 -2.956) 4.428 4.826 ( -4.969 3.716 -1.471) 6.377 4.852 ( -2.539 0.423 -3.499) 4.344 4.883 ( 0.825 -2.693 -9.388) 9.801 4.965 ( 2.666 3.042 -0.868) 4.137 5.068 ( 2.382 2.534 2.868) 4.508 5.110 ( 0.557 0.305 4.930) 4.971 5.140 ( 0.070 -1.304 -0.913) 1.593 5.211 ( 1.260 2.305 -1.795) 3.182 5.273 ( 3.379 5.568 1.104) 6.606 5.368 ( -5.042 2.001 -3.106) 6.251 5.424 ( -3.892 2.007 -4.278) 6.122 5.504 ( 0.474 0.399 0.984) 1.163 5.557 ( 4.707 -3.772 -1.655) 6.255 5.641 ( -4.514 -2.815 0.076) 5.321 5.681 ( 1.043 -5.720 0.605) 5.846 5.750 ( 1.203 0.402 3.058) 3.311 5.836 ( 4.124 0.463 1.278) 4.342 5.886 ( 1.877 -1.877 0.316) 2.673 5.935 ( -0.326 -2.681 3.320) 4.280 6.058 ( -1.506 -0.435 3.618) 3.943 6.088 ( -2.376 -3.934 2.270) 5.126 6.193 ( -4.350 4.595 -2.710) 6.883 6.362 ( -4.574 -0.903 -0.021) 4.663 6.423 ( -0.002 -0.433 0.390) 0.583 6.534 ( -6.495 -0.414 -0.865) 6.565 6.611 ( 2.018 -0.331 5.031) 5.431 6.638 ( 2.947 -1.123 1.046) 3.323 6.759 ( -1.291 2.416 -0.716) 2.831 6.838 ( -4.540 3.249 0.718) 5.629 6.956 ( -3.604 -3.386 2.641) 5.606 7.040 ( -3.724 -2.272 3.308) 5.474 8.012 ( -11.422 4.583 0.259) 12.310 8.107 ( -16.946 0.721 -0.952) 16.988 8.202 ( -12.538 -3.715 -1.269) 13.139 8.278 ( -11.972 -6.039 1.504) 13.493 8.661 ( 3.120 4.109 3.152) 6.046 8.732 ( 4.294 0.541 -3.164) 5.361 8.790 ( 6.106 -0.586 -1.053) 6.224 8.848 ( -2.521 0.993 0.503) 2.755 8.920 ( 6.528 -2.429 -0.544) 6.986 8.970 ( 1.277 0.770 -1.369) 2.024 9.059 ( 2.214 0.377 -0.738) 2.364 9.072 ( 1.528 -0.674 1.042) 1.969 9.120 ( 2.596 -0.782 -0.073) 2.713 9.127 ( 2.406 -2.069 -0.282) 3.186 9.260 ( 1.780 1.506 -0.314) 2.353 9.368 ( -1.681 -2.793 -0.528) 3.303 9.675 ( 1.348 2.803 1.720) 3.554 9.829 ( -2.206 -4.015 1.510) 4.823 9.943 ( -8.872 1.490 0.990) 9.050 9.995 ( -9.698 2.471 0.837) 10.043 10.076 ( -9.021 0.445 -0.396) 9.040 10.230 ( -6.002 -0.225 -2.328) 6.442 10.287 ( -7.660 -2.240 -0.511) 7.997 10.349 ( -4.545 -1.437 -1.080) 4.887 10.528 ( -0.653 1.796 -0.076) 1.913 10.643 ( -3.370 3.098 -2.527) 5.229 10.673 ( -1.763 -3.171 1.441) 3.903 10.775 ( -3.684 -2.238 -0.861) 4.396 11.253 ( 10.745 3.100 -0.818) 11.213 11.260 ( 10.966 -0.267 0.376) 10.976 11.379 ( 4.587 -4.084 1.202) 6.258 11.428 ( 3.806 -2.861 -1.168) 4.903 11.890 ( 1.960 1.802 -0.057) 2.663 11.962 ( -1.246 -0.527 0.765) 1.554 12.044 ( -2.147 2.379 0.045) 3.205 12.067 ( 1.215 -0.221 -0.879) 1.515 12.119 ( -3.459 1.986 1.005) 4.113 12.147 ( -0.671 0.163 -0.375) 0.786 12.233 ( 0.332 1.958 0.262) 2.003 12.330 ( -1.472 1.575 -0.049) 2.156 12.580 ( 1.834 4.322 -0.244) 4.701 12.671 ( 0.873 5.328 -0.461) 5.419 12.773 ( 1.240 -4.124 0.152) 4.309 12.831 ( 0.657 -2.419 0.356) 2.532 13.228 ( 2.962 2.898 -0.069) 4.144 13.276 ( 2.515 0.455 0.215) 2.565 13.379 ( 10.504 -3.695 -0.173) 11.136 13.494 ( 15.725 -12.252 -2.063) 20.041 14.083 ( -8.780 12.569 0.439) 15.338 14.098 ( -9.038 3.241 -1.425) 9.706 14.150 ( -4.293 -0.713 0.546) 4.386 14.279 ( -0.931 3.891 -0.215) 4.007 14.320 ( -5.831 0.558 1.025) 5.947 14.480 ( -0.908 6.517 -3.505) 7.455 14.662 ( 5.105 -0.020 0.546) 5.134 14.703 ( 3.386 -1.403 1.222) 3.864 14.760 ( 8.382 3.479 0.570) 9.093 14.972 ( 8.446 -0.350 0.265) 8.457 15.069 ( 11.060 -0.483 -0.333) 11.075 15.102 ( 8.772 -3.343 -1.442) 9.498 15.171 ( 10.557 5.009 -1.911) 11.841 15.465 ( -5.538 -1.212 -1.462) 5.854 15.515 ( -10.710 3.983 0.896) 11.462 15.579 ( -4.716 0.418 -0.095) 4.735 15.633 ( -0.046 0.324 0.629) 0.709 15.678 ( -0.507 -4.425 1.808) 4.807 15.827 ( 6.403 3.397 -8.450) 11.132 16.078 ( -4.149 -5.885 -2.977) 7.792 16.327 ( 5.193 2.376 0.511) 5.733 16.339 ( 4.058 0.889 -0.525) 4.187 16.359 ( 4.060 -1.026 -0.732) 4.251 16.546 ( 13.038 -8.344 -12.611) 19.967 17.137 ( -0.278 0.785 -0.092) 0.838 17.148 ( 0.315 0.035 -0.453) 0.553 17.161 ( 0.576 1.159 0.518) 1.395 17.215 ( 0.999 -1.027 0.498) 1.517 19.599 ( 2.803 3.085 -0.462) 4.194 19.753 ( 4.729 -0.059 -3.476) 5.869 19.800 ( 0.709 -2.938 1.885) 3.562 19.846 ( 3.950 -1.661 -1.349) 4.492 20.507 ( -6.197 1.237 -0.401) 6.332 20.550 ( -5.478 -0.548 0.938) 5.584 20.763 ( -2.416 0.062 -0.456) 2.459 20.794 ( -3.555 -0.731 0.146) 3.632 21.647 ( 6.794 2.135 1.108) 7.207 21.699 ( 4.054 0.204 3.813) 5.569 21.765 ( 7.988 -0.698 -1.937) 8.249 21.794 ( 5.204 -0.999 -0.334) 5.310 22.873 ( -4.438 1.554 -2.021) 5.118 22.968 ( -4.120 -2.491 -1.687) 5.102 23.052 ( -10.377 0.141 1.319) 10.461 23.085 ( -7.226 -2.700 1.534) 7.865 26.641 ( 10.225 0.755 -0.066) 10.253 26.668 ( 13.100 0.072 -0.652) 13.117 26.734 ( 15.761 1.992 0.675) 15.901 27.094 ( 38.949 -25.178 -10.657) 47.587 29.138 ( -22.251 6.003 -0.302) 23.048 29.238 ( -18.872 4.349 0.345) 19.370 29.330 ( -12.739 -2.370 1.054) 13.001 29.452 ( -19.141 -5.694 0.593) 19.978 29.929 ( 19.998 7.233 0.663) 21.276 30.231 ( 13.718 -3.359 0.704) 14.141 30.426 ( -1.680 10.767 -2.269) 11.130 30.550 ( 1.844 -1.325 0.183) 2.278 30.659 ( 3.041 1.974 -1.108) 3.791 30.718 ( 3.138 2.775 -4.105) 5.865 30.836 ( 3.822 6.322 -0.368) 7.396 31.128 ( 8.467 -9.275 -5.320) 13.639 31.516 ( -1.166 3.325 -0.721) 3.596 31.696 ( -2.308 -3.720 1.128) 4.520 31.923 ( -11.630 3.764 -1.523) 12.319 31.961 ( -9.904 4.257 -1.415) 10.873 31.995 ( -7.612 2.813 -1.298) 8.219 32.138 ( -5.210 -2.878 -1.798) 6.218 32.233 ( 4.544 13.616 -15.972) 21.474 32.367 ( 11.416 1.190 -1.534) 11.580 32.471 ( 9.611 4.955 -8.164) 13.549 32.517 ( 15.605 -0.062 -1.178) 15.649 32.725 ( 2.355 22.086 -27.020) 34.977 33.201 ( -5.637 -1.946 -5.882) 8.376 33.366 ( -4.016 4.220 -2.059) 6.179 33.740 ( -11.473 -7.046 -29.010) 31.982 33.823 ( -6.211 0.469 -8.550) 10.578 33.856 ( -4.977 -0.847 -2.994) 5.870 34.770 ( -0.585 0.722 -0.292) 0.974 34.816 ( 0.171 -1.533 1.919) 2.462 34.886 ( 1.949 1.502 4.482) 5.113 34.928 ( 0.221 -0.532 1.213) 1.343 35.365 ( 1.944 1.212 -0.241) 2.303 35.398 ( 2.788 0.504 3.219) 4.288 35.420 ( 4.460 -0.026 -1.865) 4.834 35.456 ( 3.618 0.466 -4.335) 5.666 35.500 ( 4.586 -1.937 -0.173) 4.982 35.606 ( 5.468 -1.295 -3.843) 6.807 35.871 ( -5.418 4.035 19.962) 21.074 36.005 ( -2.453 -1.334 3.345) 4.357 36.123 ( 10.056 2.609 12.598) 16.329 36.699 ( -7.911 -32.680 63.010) 71.420 37.931 ( -13.681 12.447 -3.844) 18.891 38.365 ( -11.377 -8.231 -2.009) 14.185 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 18.413 7.432 13.717) 24.133 1.462 ( 15.977 17.114 8.386) 24.869 1.617 ( 4.617 -8.717 5.403) 11.247 1.826 ( 11.175 -0.561 7.152) 13.279 1.904 ( 14.851 -7.479 16.440) 23.383 1.963 ( 10.407 2.114 8.833) 13.812 2.019 ( 2.526 -2.905 2.141) 4.405 2.123 ( 2.167 3.731 -2.908) 5.203 2.285 ( 6.315 -3.846 3.278) 8.088 2.440 ( 0.198 -0.305 1.089) 1.148 2.464 ( -1.665 -6.682 -7.437) 10.136 2.544 ( -4.056 1.701 0.505) 4.427 2.566 ( -0.915 2.731 -12.475) 12.803 2.636 ( 1.102 0.201 3.652) 3.820 2.669 ( -7.036 -1.249 2.561) 7.591 2.774 ( 8.849 4.404 0.561) 9.900 2.799 ( 4.215 3.000 0.155) 5.176 2.924 ( -2.203 -3.442 -5.865) 7.149 2.947 ( 4.688 -1.764 3.402) 6.055 3.058 ( 3.267 0.816 6.395) 7.227 3.123 ( -7.225 -2.036 -3.342) 8.217 3.197 ( -2.851 -1.872 -2.191) 4.054 3.240 ( 2.653 0.921 -0.683) 2.890 3.282 ( 0.888 9.631 2.620) 10.020 3.378 ( 6.577 4.536 2.035) 8.245 3.420 ( 2.410 -6.380 2.183) 7.160 3.497 ( 10.899 4.376 1.432) 11.832 3.577 ( 3.309 2.608 -2.422) 4.860 3.668 ( 0.003 0.753 -0.297) 0.809 3.768 ( 3.909 -5.436 2.893) 7.294 3.801 ( -0.793 0.903 -3.076) 3.303 3.837 ( 2.645 -1.212 -2.827) 4.057 3.854 ( 6.219 0.595 3.313) 7.072 3.994 ( 4.523 0.996 2.955) 5.493 4.091 ( 4.102 -2.475 -3.257) 5.793 4.148 ( 3.866 -0.833 0.446) 3.980 4.256 ( -2.822 -1.530 -0.374) 3.232 4.316 ( 1.523 1.079 -1.455) 2.366 4.364 ( -4.714 0.868 -3.555) 5.968 4.441 ( 1.780 1.726 -1.313) 2.806 4.475 ( -3.673 4.318 -0.295) 5.677 4.572 ( -4.707 -1.208 2.466) 5.449 4.605 ( -0.045 2.059 -0.370) 2.093 4.665 ( -5.919 2.658 -0.985) 6.563 4.692 ( -1.034 -3.698 -1.965) 4.313 4.729 ( 1.487 0.022 -2.097) 2.571 4.797 ( 0.379 -0.127 -4.559) 4.576 4.861 ( 6.661 -0.535 -3.631) 7.605 4.965 ( -2.700 3.921 -2.841) 5.544 5.059 ( -4.508 3.467 -1.683) 5.931 5.121 ( -2.807 2.792 3.374) 5.201 5.167 ( 2.716 -0.652 -0.251) 2.805 5.190 ( -3.829 -2.021 -6.154) 7.524 5.223 ( -2.547 1.447 3.359) 4.457 5.317 ( -2.300 1.718 -2.831) 4.032 5.364 ( 1.750 -3.832 -0.609) 4.256 5.460 ( -2.315 -4.006 -0.344) 4.640 5.571 ( 1.062 -4.274 -3.245) 5.470 5.641 ( 0.679 1.779 -0.987) 2.145 5.711 ( -2.621 -1.188 -0.038) 2.878 5.805 ( -1.739 0.386 3.999) 4.378 5.887 ( 1.471 -3.881 1.543) 4.428 5.932 ( 2.440 -1.389 -0.239) 2.818 5.980 ( 1.466 -0.632 0.023) 1.597 6.045 ( 0.271 0.390 2.556) 2.600 6.069 ( -0.533 -1.910 1.103) 2.269 6.132 ( -0.219 1.512 1.989) 2.508 6.261 ( -6.214 -1.210 0.576) 6.357 6.430 ( 0.839 -0.156 -0.268) 0.895 6.468 ( -1.396 -0.773 1.412) 2.131 6.683 ( 1.462 -0.811 1.145) 2.026 6.693 ( -0.124 0.255 -0.853) 0.899 6.729 ( -0.333 -0.257 -0.113) 0.436 6.809 ( 0.458 1.804 -0.024) 1.861 6.909 ( -3.777 -3.735 -0.500) 5.335 6.996 ( -5.828 -1.773 3.596) 7.073 7.763 ( -18.154 2.333 -1.614) 18.374 7.805 ( -13.977 4.657 0.022) 14.732 7.937 ( -14.670 -4.408 -3.077) 15.624 8.073 ( -13.646 -6.215 2.268) 15.166 8.725 ( -0.509 2.753 3.403) 4.406 8.744 ( 2.534 1.919 -3.480) 4.713 8.794 ( -3.462 1.913 0.515) 3.988 8.854 ( 2.259 -0.722 -0.785) 2.498 8.980 ( 2.295 0.557 -1.036) 2.579 9.029 ( 4.865 -2.775 0.664) 5.640 9.087 ( 0.555 0.612 0.766) 1.127 9.116 ( 1.692 -1.316 -1.081) 2.401 9.179 ( 5.538 -2.225 0.470) 5.986 9.196 ( 5.239 -1.514 -0.316) 5.463 9.311 ( 4.024 -0.183 -0.694) 4.087 9.336 ( -0.444 -1.260 -0.755) 1.535 9.697 ( -3.839 0.429 0.476) 3.892 9.738 ( -9.567 -0.709 -0.644) 9.615 9.794 ( -11.046 0.466 2.746) 11.392 9.852 ( -6.204 1.787 3.717) 7.449 9.897 ( -9.286 1.726 -0.007) 9.445 10.096 ( -4.949 -2.326 -1.285) 5.618 10.169 ( -4.688 -0.921 -0.271) 4.785 10.229 ( -6.353 -1.238 -2.495) 6.937 10.479 ( -3.374 1.819 -1.389) 4.077 10.580 ( -1.641 3.591 -0.127) 3.950 10.641 ( -2.947 -4.225 0.096) 5.152 10.714 ( -3.122 -1.852 0.353) 3.647 11.438 ( 11.015 0.401 -0.750) 11.048 11.451 ( 9.317 -1.626 0.108) 9.458 11.491 ( 5.534 -0.733 0.358) 5.594 11.513 ( 8.004 -0.846 0.104) 8.049 11.932 ( 1.559 1.497 1.126) 2.437 11.949 ( -1.063 0.754 0.438) 1.375 11.994 ( -2.658 4.114 1.147) 5.031 12.054 ( -2.745 2.114 0.218) 3.471 12.105 ( -0.071 0.014 -0.549) 0.554 12.156 ( 2.390 -2.138 -0.112) 3.209 12.236 ( 0.478 -1.729 -0.482) 1.857 12.301 ( -0.641 -1.517 -1.061) 1.959 12.624 ( 2.883 3.278 0.689) 4.420 12.697 ( 2.026 4.008 -0.628) 4.535 12.792 ( 0.407 -3.728 0.520) 3.786 12.839 ( -0.481 -1.962 -0.030) 2.020 13.294 ( 4.501 5.252 0.057) 6.917 13.339 ( 4.181 4.841 0.173) 6.399 13.556 ( 6.558 -7.495 0.382) 9.966 13.641 ( 3.373 -8.090 -0.904) 8.812 13.979 ( -0.948 10.706 0.744) 10.774 13.987 ( 0.345 4.787 -1.967) 5.187 14.122 ( 0.759 -2.962 0.930) 3.196 14.194 ( -3.391 -1.418 -0.532) 3.714 14.341 ( 0.631 9.147 1.730) 9.331 14.450 ( -0.130 10.079 -1.497) 10.190 14.671 ( -3.436 2.728 1.477) 4.629 14.702 ( -3.922 -0.633 -1.073) 4.115 14.930 ( 8.256 1.852 -0.128) 8.462 15.107 ( 3.992 2.143 -0.228) 4.536 15.221 ( 5.632 -4.180 0.131) 7.015 15.262 ( 8.068 -1.452 0.093) 8.198 15.284 ( 3.932 1.054 0.380) 4.089 15.363 ( -0.823 0.217 -0.239) 0.884 15.446 ( 0.227 -2.295 -0.762) 2.429 15.496 ( -2.289 -4.673 -0.110) 5.204 15.746 ( 9.939 1.222 0.920) 10.056 15.759 ( 6.307 -0.990 2.822) 6.980 15.841 ( 4.081 0.593 -4.488) 6.095 15.981 ( 0.298 -4.980 -5.792) 7.645 16.364 ( -0.469 2.381 -0.145) 2.431 16.416 ( 2.424 -0.520 0.735) 2.586 16.428 ( 3.541 0.250 0.223) 3.556 16.523 ( 0.662 -3.493 -6.745) 7.624 17.134 ( 0.363 0.908 -0.176) 0.994 17.151 ( 0.531 -0.113 0.137) 0.560 17.186 ( 1.387 1.119 0.319) 1.810 17.240 ( 1.246 -1.090 0.060) 1.656 19.672 ( 6.575 1.681 -0.539) 6.808 19.780 ( 4.286 -2.494 -3.324) 5.970 19.888 ( 6.884 0.144 0.624) 6.914 19.920 ( 6.679 -0.998 -1.755) 6.978 20.364 ( -9.626 1.852 -0.018) 9.803 20.436 ( -8.965 -1.190 0.941) 9.092 20.670 ( -6.121 0.864 -1.495) 6.360 20.717 ( -5.639 -1.059 0.170) 5.740 21.819 ( 9.299 1.891 1.690) 9.638 21.842 ( 9.320 2.082 0.125) 9.551 21.908 ( 9.952 -1.052 -0.561) 10.023 21.925 ( 10.628 -1.843 0.091) 10.787 22.741 ( -7.596 1.611 -1.843) 7.980 22.847 ( -6.813 -2.872 -1.922) 7.639 22.874 ( -12.639 0.429 2.865) 12.967 22.963 ( -9.543 -4.236 1.459) 10.542 26.893 ( 18.055 2.265 0.787) 18.213 26.973 ( 21.619 1.379 -0.548) 21.670 27.075 ( 21.946 1.019 1.423) 22.016 27.472 ( 25.167 -17.579 -13.985) 33.734 28.736 ( -23.448 6.471 -0.410) 24.328 28.836 ( -24.194 7.411 -0.472) 25.308 29.053 ( -20.278 -5.322 0.746) 20.978 29.112 ( -21.171 -5.444 0.197) 21.861 30.258 ( 16.181 6.575 1.630) 17.542 30.384 ( 9.076 7.768 -1.453) 12.035 30.540 ( 7.701 -1.031 1.785) 7.972 30.615 ( 4.963 -3.060 1.096) 5.932 30.727 ( 6.922 2.817 -1.694) 7.663 30.778 ( 7.588 4.202 -1.486) 8.800 30.956 ( 9.230 0.450 -1.664) 9.390 31.154 ( 2.856 -7.056 -4.769) 8.982 31.429 ( -7.809 4.109 -0.552) 8.841 31.589 ( -9.688 8.099 -3.995) 13.244 31.642 ( -10.402 0.329 -2.848) 10.790 31.827 ( -9.638 0.770 -2.374) 9.956 31.915 ( 2.483 4.188 0.135) 4.870 32.038 ( 1.805 4.703 -6.325) 8.086 32.191 ( 7.793 0.140 -3.828) 8.684 32.544 ( 6.893 -4.870 -4.795) 9.706 32.618 ( 11.630 1.341 0.098) 11.708 32.698 ( 7.365 -1.970 -7.891) 10.972 32.841 ( 13.729 0.915 -0.745) 13.779 32.938 ( 2.899 -3.502 -11.968) 12.803 33.318 ( -3.858 0.911 2.719) 4.807 33.386 ( -4.728 -2.028 -5.289) 7.379 33.650 ( -7.515 0.758 -3.997) 8.545 33.696 ( -8.064 -1.121 -4.249) 9.183 34.745 ( -1.323 1.406 -1.089) 2.216 34.815 ( -1.551 -1.624 0.148) 2.251 34.954 ( 0.617 0.417 1.823) 1.969 34.968 ( 1.878 -0.251 3.727) 4.181 35.388 ( 2.045 1.807 -3.451) 4.400 35.432 ( 2.695 2.772 -2.010) 4.357 35.500 ( 2.284 -3.395 1.364) 4.313 35.528 ( 5.362 0.623 3.723) 6.557 35.608 ( 4.662 -0.008 3.656) 5.925 35.635 ( 2.327 -2.362 0.604) 3.371 35.899 ( -2.916 2.411 2.548) 4.561 36.004 ( -0.190 -1.516 0.178) 1.539 36.536 ( 7.209 6.961 21.478) 23.701 37.047 ( -9.948 -16.774 27.889) 34.031 37.611 ( -15.727 11.964 -5.701) 20.567 38.062 ( -18.247 -8.614 -4.295) 20.630 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 7.088 5.393 8.840) 12.549 1.710 ( 5.896 7.149 -1.011) 9.321 1.818 ( 8.859 -3.825 1.576) 9.777 1.924 ( 0.020 -3.348 1.045) 3.507 1.988 ( -5.894 -4.182 -4.304) 8.411 2.112 ( 3.910 0.359 2.126) 4.465 2.228 ( -4.456 3.778 3.321) 6.720 2.252 ( 9.414 -4.322 -0.962) 10.403 2.310 ( 8.600 -1.789 7.488) 11.543 2.442 ( 10.167 -4.602 5.545) 12.462 2.482 ( -3.039 -1.515 0.564) 3.442 2.555 ( 3.417 -4.616 -0.930) 5.819 2.595 ( 1.851 1.373 5.960) 6.391 2.657 ( -0.527 -1.178 2.004) 2.383 2.714 ( 9.076 -1.774 2.587) 9.602 2.805 ( -1.857 4.052 -4.221) 6.139 2.838 ( -1.091 -2.834 1.139) 3.243 2.911 ( -1.521 -0.990 3.269) 3.739 2.958 ( -1.416 -1.257 -0.409) 1.937 3.036 ( -3.748 2.904 -1.721) 5.044 3.140 ( 6.206 4.672 -1.610) 7.933 3.258 ( 10.958 2.497 8.055) 13.827 3.356 ( 2.080 1.509 -1.809) 3.143 3.371 ( 6.139 -0.997 5.041) 8.006 3.497 ( 3.467 -2.878 -4.212) 6.168 3.500 ( -1.266 6.131 -6.792) 9.237 3.605 ( 6.463 1.704 1.347) 6.818 3.622 ( 6.298 6.951 3.603) 10.048 3.705 ( -1.525 -1.427 3.110) 3.746 3.750 ( 0.283 5.982 1.519) 6.178 3.820 ( 3.182 4.034 -2.572) 5.745 3.859 ( 1.255 2.659 1.326) 3.226 3.955 ( -0.006 -1.492 0.165) 1.501 4.021 ( -0.226 0.146 0.623) 0.678 4.095 ( -1.482 -1.817 -1.545) 2.808 4.177 ( -2.947 -5.686 -3.057) 7.097 4.217 ( 0.484 2.174 -1.122) 2.494 4.273 ( -0.066 -4.381 -1.620) 4.672 4.308 ( 0.857 2.841 -2.330) 3.773 4.394 ( -0.061 -0.042 -2.176) 2.177 4.438 ( 0.292 -0.090 -0.373) 0.483 4.515 ( -2.172 -0.309 -1.700) 2.775 4.617 ( -3.244 -0.119 2.802) 4.289 4.630 ( -2.235 4.047 -4.382) 6.370 4.686 ( -2.277 -1.628 3.630) 4.584 4.702 ( 2.618 1.500 1.688) 3.457 4.802 ( 0.578 3.195 2.089) 3.861 4.881 ( 0.355 0.238 -0.109) 0.441 4.939 ( 2.673 0.593 -4.094) 4.925 4.973 ( -0.885 3.290 0.161) 3.411 5.064 ( -4.408 0.233 -1.263) 4.591 5.101 ( 0.289 0.191 -4.884) 4.896 5.196 ( 1.382 2.006 2.021) 3.165 5.219 ( -0.636 -3.081 -2.794) 4.207 5.256 ( -1.141 4.159 0.203) 4.317 5.391 ( 3.065 -5.907 -0.698) 6.691 5.434 ( -0.849 -4.896 -1.025) 5.074 5.506 ( -3.342 -1.147 -4.159) 5.457 5.554 ( -6.074 -5.746 -1.626) 8.517 5.614 ( -4.061 -0.655 -1.724) 4.460 5.808 ( -2.483 0.167 3.166) 4.027 5.909 ( -4.317 -2.708 1.647) 5.356 5.981 ( 1.856 -0.126 -0.959) 2.093 5.992 ( 4.361 -1.971 0.043) 4.786 6.062 ( -1.460 -0.411 0.400) 1.569 6.163 ( -0.803 0.986 0.318) 1.311 6.185 ( 7.661 1.216 3.013) 8.321 6.228 ( 2.612 -0.115 1.858) 3.207 6.461 ( 2.733 -0.500 0.355) 2.801 6.485 ( 1.281 -0.691 1.071) 1.807 6.636 ( -1.853 0.745 -2.938) 3.553 6.674 ( -3.554 -1.143 -2.566) 4.530 6.722 ( 0.184 0.306 -0.139) 0.383 6.851 ( 2.810 1.974 0.358) 3.452 6.861 ( 1.463 -4.988 0.229) 5.203 6.943 ( -4.381 -2.084 2.787) 5.595 7.444 ( -14.560 2.763 -2.161) 14.976 7.592 ( -10.651 4.641 0.165) 11.620 7.649 ( -12.417 -2.823 -3.875) 13.311 7.885 ( -10.291 -6.149 1.604) 12.096 8.744 ( -0.777 1.391 1.948) 2.517 8.746 ( 2.064 1.875 -2.603) 3.814 8.756 ( -2.278 1.771 1.597) 3.298 8.862 ( -0.071 -1.840 -0.352) 1.874 9.017 ( 2.406 1.536 -0.210) 2.862 9.071 ( -0.436 -1.124 0.362) 1.258 9.090 ( -1.467 -0.331 -0.468) 1.575 9.133 ( 2.997 -1.648 -0.954) 3.551 9.276 ( 4.022 -0.701 -0.232) 4.089 9.287 ( 3.275 -2.446 1.625) 4.399 9.350 ( 4.720 -0.333 0.286) 4.740 9.382 ( 4.035 -2.036 -0.767) 4.584 9.527 ( -9.968 1.454 0.065) 10.073 9.581 ( -8.512 -1.396 -0.218) 8.628 9.671 ( -5.777 0.361 0.344) 5.798 9.720 ( -8.713 -1.172 1.009) 8.850 9.902 ( 1.501 4.308 2.766) 5.335 10.015 ( -2.643 0.318 -1.541) 3.076 10.088 ( -5.037 -0.192 -2.440) 5.601 10.147 ( -0.679 -3.385 2.212) 4.100 10.422 ( -1.256 2.545 -0.694) 2.922 10.560 ( -0.804 2.495 0.121) 2.625 10.595 ( -2.152 -3.520 -0.278) 4.135 10.664 ( -2.504 -1.310 -0.215) 2.834 11.546 ( 3.184 0.092 -0.437) 3.215 11.580 ( 5.286 -1.208 0.527) 5.447 11.607 ( 6.331 -0.366 -0.217) 6.345 11.639 ( 4.790 -1.250 0.258) 4.958 11.926 ( -0.931 1.684 0.037) 1.925 11.975 ( -1.047 0.183 0.409) 1.138 11.981 ( 0.056 4.276 3.141) 5.306 12.029 ( -0.079 2.952 0.230) 2.962 12.084 ( -0.313 0.306 -1.306) 1.378 12.198 ( 1.589 -3.762 0.407) 4.104 12.252 ( 1.047 -3.142 -1.004) 3.461 12.295 ( 2.666 -3.550 -0.809) 4.513 12.679 ( 1.720 1.759 0.609) 2.535 12.711 ( 0.496 2.027 -0.042) 2.087 12.794 ( -1.275 -2.291 0.333) 2.642 12.806 ( -2.452 -1.651 -0.252) 2.967 13.379 ( 4.966 6.604 0.262) 8.267 13.410 ( 3.587 6.705 -0.105) 7.605 13.583 ( -2.061 -0.946 0.512) 2.324 13.615 ( -3.261 0.110 -0.227) 3.271 14.020 ( 4.355 2.522 -0.972) 5.126 14.097 ( 8.599 1.618 1.126) 8.822 14.177 ( 3.172 -0.673 -0.314) 3.258 14.195 ( 4.398 -2.614 -0.102) 5.117 14.350 ( -0.813 8.339 0.873) 8.424 14.431 ( -0.209 7.913 -0.236) 7.919 14.566 ( -8.706 1.216 -1.146) 8.865 14.605 ( -6.435 2.418 1.480) 7.032 15.032 ( 3.883 -1.837 0.071) 4.296 15.097 ( -1.593 0.094 0.013) 1.596 15.213 ( -4.320 -8.247 0.494) 9.323 15.285 ( -5.075 -5.089 0.162) 7.189 15.396 ( 5.228 2.110 -0.233) 5.642 15.407 ( 5.993 2.375 0.854) 6.503 15.485 ( 2.460 -2.708 0.443) 3.685 15.527 ( 4.118 -2.314 -0.715) 4.777 15.879 ( 6.084 0.499 -1.220) 6.225 15.917 ( 7.038 1.281 0.558) 7.175 15.937 ( 8.415 0.111 0.563) 8.434 15.962 ( 4.352 -2.059 -4.022) 6.274 16.338 ( -1.725 1.160 0.388) 2.114 16.396 ( -2.953 -1.278 -1.732) 3.654 16.450 ( -2.372 0.176 1.460) 2.790 16.473 ( -0.622 -0.809 -0.994) 1.424 17.149 ( 1.142 1.051 0.266) 1.575 17.176 ( 1.735 -0.245 0.735) 1.900 17.205 ( 0.626 0.779 -0.265) 1.034 17.249 ( 0.052 -1.035 -0.628) 1.212 19.812 ( 9.707 0.170 0.228) 9.711 19.846 ( 7.707 -1.173 -2.534) 8.197 20.019 ( 6.299 -0.178 -1.335) 6.441 20.026 ( 7.466 -0.347 0.385) 7.484 20.192 ( -10.385 1.845 0.660) 10.569 20.270 ( -10.836 -1.479 0.342) 10.942 20.545 ( -5.891 1.449 -0.942) 6.139 20.611 ( -5.957 -1.326 -0.436) 6.118 21.975 ( 7.935 2.252 -0.009) 8.248 22.007 ( 9.358 1.884 -0.599) 9.564 22.091 ( 10.063 -1.802 0.277) 10.227 22.121 ( 10.668 -2.180 0.036) 10.888 22.584 ( -7.700 1.733 -1.180) 7.980 22.685 ( -10.622 -1.924 1.086) 10.849 22.719 ( -7.285 0.059 0.337) 7.293 22.802 ( -9.760 -2.963 0.670) 10.222 27.248 ( 19.893 4.434 1.452) 20.433 27.319 ( 19.004 5.319 -1.831) 19.819 27.528 ( 24.184 -5.817 5.027) 25.376 27.686 ( 16.568 -9.272 -8.383) 20.754 28.350 ( -19.966 5.970 0.260) 20.841 28.443 ( -19.748 6.527 -0.700) 20.810 28.695 ( -20.082 -7.598 -0.979) 21.494 28.732 ( -20.877 -5.565 -1.228) 21.641 30.511 ( 10.305 4.318 0.791) 11.201 30.536 ( 8.671 4.533 1.132) 9.850 30.656 ( 4.119 -0.012 1.237) 4.301 30.710 ( 3.315 -1.362 0.726) 3.657 30.842 ( 8.297 2.787 -1.774) 8.930 30.922 ( 8.692 4.550 0.490) 9.823 31.037 ( 1.759 -4.744 -2.433) 5.615 31.154 ( 1.437 -4.529 -1.023) 4.861 31.290 ( -4.535 6.742 -1.220) 8.216 31.358 ( -8.795 7.132 -4.485) 12.179 31.469 ( -9.871 -2.926 1.729) 10.440 31.611 ( -9.157 -1.095 -4.876) 10.432 31.998 ( 4.705 4.108 1.058) 6.335 32.043 ( 2.829 3.012 -0.885) 4.226 32.287 ( 5.256 -6.108 -3.556) 8.808 32.365 ( -0.794 -5.655 -13.311) 14.484 32.802 ( 7.807 0.469 1.328) 7.933 32.822 ( 7.861 -0.234 2.589) 8.279 33.062 ( 11.718 0.217 -1.800) 11.858 33.070 ( 12.760 -0.107 -0.396) 12.766 33.290 ( -4.133 0.145 -0.058) 4.136 33.291 ( -2.828 0.040 2.319) 3.657 33.475 ( -8.755 0.156 -1.317) 8.855 33.495 ( -9.296 -0.699 -3.071) 9.815 34.704 ( -1.321 1.563 -1.282) 2.414 34.776 ( -1.842 -1.494 -0.970) 2.563 34.990 ( 0.670 0.859 1.854) 2.151 35.038 ( 1.460 -1.252 2.630) 3.258 35.359 ( 0.524 3.833 -3.558) 5.256 35.465 ( 1.522 1.348 0.380) 2.069 35.534 ( 1.151 -4.156 -0.448) 4.336 35.599 ( 1.432 -3.239 -2.376) 4.265 35.712 ( 3.704 2.226 7.076) 8.291 35.793 ( 5.495 -1.369 6.076) 8.305 35.882 ( -0.674 3.265 0.443) 3.363 36.002 ( 0.279 -1.736 -0.520) 1.833 36.837 ( 3.809 5.198 11.463) 13.150 37.101 ( -6.733 -3.824 2.681) 8.194 37.331 ( -10.734 5.173 3.045) 12.298 37.692 ( -15.599 -7.991 -5.017) 18.231 ======================= Grid point 13 (10/63) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 0.000 1.956 0.000) 1.956 1.743 ( 0.000 0.773 0.000) 0.773 1.795 ( 0.000 -8.947 0.000) 8.947 1.921 ( 0.000 -5.051 0.000) 5.051 2.074 ( 0.000 6.127 0.000) 6.127 2.165 ( 0.000 4.371 0.000) 4.371 2.228 ( 0.000 0.497 -0.000) 0.497 2.396 ( 0.000 6.480 0.000) 6.480 2.406 ( -0.000 -9.448 -0.000) 9.448 2.489 ( 0.000 -1.172 0.000) 1.172 2.564 ( -0.000 -1.086 -0.000) 1.086 2.569 ( 0.000 1.036 0.000) 1.036 2.615 ( 0.000 1.305 0.000) 1.305 2.711 ( 0.000 1.019 0.000) 1.019 2.734 ( 0.000 -2.624 0.000) 2.624 2.829 ( 0.000 -3.104 0.000) 3.104 2.850 ( 0.000 0.930 -0.000) 0.930 2.871 ( 0.000 -3.387 0.000) 3.387 3.003 ( 0.000 4.504 -0.000) 4.504 3.032 ( -0.000 -3.071 0.000) 3.071 3.197 ( 0.000 3.418 0.000) 3.418 3.287 ( 0.000 1.975 -0.000) 1.975 3.398 ( 0.000 6.804 0.000) 6.804 3.412 ( 0.000 -1.488 0.000) 1.488 3.495 ( 0.000 -0.022 0.000) 0.022 3.529 ( 0.000 -4.486 0.000) 4.486 3.640 ( 0.000 -4.016 0.000) 4.016 3.670 ( 0.000 2.298 0.000) 2.298 3.740 ( 0.000 7.131 0.000) 7.131 3.771 ( 0.000 7.632 0.000) 7.632 3.869 ( 0.000 3.058 -0.000) 3.058 3.921 ( 0.000 0.914 0.000) 0.914 3.944 ( 0.000 -0.582 0.000) 0.582 3.974 ( 0.000 -3.778 0.000) 3.778 4.054 ( 0.000 -2.801 0.000) 2.801 4.145 ( 0.000 -5.755 0.000) 5.755 4.195 ( 0.000 4.276 -0.000) 4.276 4.243 ( 0.000 6.871 0.000) 6.871 4.307 ( 0.000 2.317 0.000) 2.317 4.358 ( 0.000 -0.590 0.000) 0.590 4.468 ( 0.000 0.997 -0.000) 0.997 4.498 ( 0.000 -5.097 0.000) 5.097 4.565 ( 0.000 1.032 0.000) 1.032 4.597 ( 0.000 1.328 -0.000) 1.328 4.693 ( 0.000 0.438 0.000) 0.438 4.758 ( 0.000 -0.885 -0.000) 0.885 4.832 ( 0.000 5.534 0.000) 5.534 4.886 ( 0.000 0.283 0.000) 0.283 4.930 ( -0.000 -3.417 -0.000) 3.417 5.002 ( 0.000 6.243 -0.000) 6.243 5.006 ( -0.000 0.153 0.000) 0.153 5.052 ( 0.000 -1.158 0.000) 1.158 5.153 ( 0.000 -2.038 0.000) 2.038 5.245 ( 0.000 3.301 0.000) 3.301 5.278 ( 0.000 5.891 0.000) 5.891 5.395 ( 0.000 -2.412 0.000) 2.412 5.410 ( 0.000 -3.799 0.000) 3.799 5.449 ( 0.000 -8.072 0.000) 8.072 5.517 ( 0.000 -3.806 0.000) 3.806 5.533 ( 0.000 -2.194 -0.000) 2.194 5.825 ( 0.000 -2.276 0.000) 2.276 5.844 ( 0.000 0.161 0.000) 0.161 5.993 ( 0.000 1.833 0.000) 1.833 6.023 ( -0.000 -2.532 0.000) 2.532 6.049 ( 0.000 -1.352 0.000) 1.352 6.168 ( 0.000 -2.312 0.000) 2.312 6.256 ( 0.000 1.963 0.000) 1.963 6.321 ( 0.000 0.858 0.000) 0.858 6.494 ( 0.000 -2.014 0.000) 2.014 6.517 ( 0.000 -1.105 0.000) 1.105 6.571 ( 0.000 1.971 0.000) 1.971 6.597 ( 0.000 0.058 0.000) 0.058 6.742 ( 0.000 0.222 0.000) 0.222 6.881 ( 0.000 -4.692 0.000) 4.692 6.903 ( 0.000 0.234 0.000) 0.234 6.924 ( 0.000 -0.639 0.000) 0.639 7.285 ( 0.000 2.060 0.000) 2.060 7.481 ( 0.000 -5.076 0.000) 5.076 7.503 ( 0.000 7.782 -0.000) 7.782 7.796 ( 0.000 -5.908 0.000) 5.908 8.747 ( -0.000 0.624 0.000) 0.624 8.747 ( 0.000 1.904 -0.000) 1.904 8.752 ( 0.000 1.466 -0.000) 1.466 8.857 ( 0.000 -2.124 0.000) 2.124 9.042 ( 0.000 1.922 0.000) 1.922 9.064 ( 0.000 -1.304 0.000) 1.304 9.065 ( 0.000 0.469 0.000) 0.469 9.154 ( 0.000 -2.100 0.000) 2.100 9.322 ( 0.000 -0.230 0.000) 0.230 9.350 ( 0.000 -1.869 -0.000) 1.869 9.358 ( 0.000 0.133 0.000) 0.133 9.432 ( 0.000 -2.322 0.000) 2.322 9.450 ( 0.000 1.209 0.000) 1.209 9.502 ( 0.000 -0.979 0.000) 0.979 9.615 ( 0.000 -0.710 0.000) 0.710 9.632 ( 0.000 -0.873 0.000) 0.873 9.944 ( -0.000 1.252 -0.000) 1.252 9.962 ( 0.000 -0.036 0.000) 0.036 10.035 ( 0.000 3.124 0.000) 3.124 10.160 ( 0.000 -3.236 -0.000) 3.236 10.412 ( 0.000 2.688 0.000) 2.688 10.556 ( 0.000 2.832 0.000) 2.832 10.568 ( 0.000 -3.555 0.000) 3.555 10.639 ( 0.000 -1.485 0.000) 1.485 11.570 ( 0.000 0.765 0.000) 0.765 11.641 ( 0.000 0.682 0.000) 0.682 11.642 ( -0.000 -2.743 -0.000) 2.743 11.688 ( -0.000 -1.686 0.000) 1.686 11.920 ( 0.000 1.950 0.000) 1.950 11.957 ( 0.000 1.210 0.000) 1.210 12.022 ( 0.000 3.216 0.000) 3.216 12.028 ( -0.000 3.390 -0.000) 3.390 12.070 ( 0.000 -0.225 0.000) 0.225 12.213 ( 0.000 -4.634 0.000) 4.634 12.251 ( 0.000 -2.195 0.000) 2.195 12.331 ( 0.000 -4.913 0.000) 4.913 12.685 ( 0.000 1.014 0.000) 1.014 12.744 ( -0.000 -1.790 -0.000) 1.790 12.744 ( 0.000 1.288 0.000) 1.288 12.793 ( 0.000 -1.552 0.000) 1.552 13.441 ( 0.000 6.175 0.000) 6.175 13.446 ( 0.000 6.676 0.000) 6.676 13.545 ( 0.000 3.322 0.000) 3.322 13.585 ( 0.000 2.866 0.000) 2.866 14.060 ( 0.000 2.689 0.000) 2.689 14.177 ( 0.000 0.676 0.000) 0.676 14.227 ( 0.000 -0.174 0.000) 0.174 14.251 ( 0.000 -1.519 0.000) 1.519 14.387 ( 0.000 3.832 0.000) 3.832 14.393 ( -0.000 3.062 -0.000) 3.062 14.476 ( 0.000 5.150 0.000) 5.150 14.524 ( 0.000 1.111 0.000) 1.111 15.065 ( 0.000 -2.601 0.000) 2.601 15.098 ( 0.000 -1.579 0.000) 1.579 15.166 ( 0.000 -7.693 0.000) 7.693 15.216 ( 0.000 -6.979 0.000) 6.979 15.441 ( 0.000 2.677 0.000) 2.677 15.477 ( 0.000 3.384 0.000) 3.384 15.508 ( 0.000 -2.112 0.000) 2.112 15.563 ( 0.000 -0.599 0.000) 0.599 15.941 ( 0.000 0.092 0.000) 0.092 15.971 ( -0.000 -0.878 0.000) 0.878 15.992 ( 0.000 1.090 0.000) 1.090 16.025 ( 0.000 -0.348 0.000) 0.348 16.335 ( 0.000 -0.188 0.000) 0.188 16.349 ( 0.000 -0.740 0.000) 0.740 16.418 ( 0.000 0.748 0.000) 0.748 16.458 ( 0.000 -0.886 0.000) 0.886 17.165 ( 0.000 1.447 0.000) 1.447 17.204 ( 0.000 0.279 0.000) 0.279 17.212 ( 0.000 0.033 0.000) 0.033 17.233 ( 0.000 -1.278 0.000) 1.278 19.940 ( 0.000 -0.654 0.000) 0.654 19.952 ( 0.000 -1.380 0.000) 1.380 20.052 ( 0.000 1.052 0.000) 1.052 20.066 ( 0.000 1.732 0.000) 1.732 20.108 ( 0.000 -0.587 0.000) 0.587 20.145 ( 0.000 -1.108 0.000) 1.108 20.479 ( 0.000 1.326 0.000) 1.326 20.543 ( 0.000 -1.349 0.000) 1.349 22.059 ( 0.000 2.732 0.000) 2.732 22.102 ( 0.000 2.376 0.000) 2.376 22.194 ( 0.000 -2.937 0.000) 2.937 22.230 ( 0.000 -2.936 0.000) 2.936 22.497 ( 0.000 1.389 0.000) 1.389 22.583 ( 0.000 -2.253 0.000) 2.253 22.646 ( 0.000 0.815 0.000) 0.815 22.702 ( 0.000 -1.536 0.000) 1.536 27.471 ( 0.000 4.827 0.000) 4.827 27.524 ( 0.000 7.706 0.000) 7.706 27.752 ( 0.000 -6.805 0.000) 6.805 27.900 ( 0.000 -8.324 0.000) 8.324 28.149 ( 0.000 4.871 0.000) 4.871 28.232 ( 0.000 5.173 0.000) 5.173 28.407 ( 0.000 -5.991 0.000) 5.991 28.522 ( 0.000 -7.105 0.000) 7.105 30.601 ( 0.000 2.738 0.000) 2.738 30.670 ( -0.000 -0.242 -0.000) 0.242 30.697 ( 0.000 3.411 0.000) 3.411 30.720 ( 0.000 2.189 0.000) 2.189 30.939 ( 0.000 0.324 0.000) 0.324 30.988 ( -0.000 -0.943 0.000) 0.943 31.044 ( 0.000 4.086 0.000) 4.086 31.133 ( -0.000 -1.040 0.000) 1.040 31.235 ( 0.000 1.910 -0.000) 1.910 31.276 ( 0.000 1.447 0.000) 1.447 31.379 ( 0.000 0.957 0.000) 0.957 31.474 ( 0.000 -1.812 -0.000) 1.812 32.054 ( 0.000 4.632 0.000) 4.632 32.079 ( 0.000 1.496 0.000) 1.496 32.223 ( 0.000 -3.994 0.000) 3.994 32.352 ( 0.000 -6.900 0.000) 6.900 32.886 ( 0.000 0.866 0.000) 0.866 32.923 ( 0.000 -0.704 0.000) 0.704 33.185 ( 0.000 0.821 0.000) 0.821 33.220 ( 0.000 -0.578 0.000) 0.578 33.244 ( 0.000 0.682 0.000) 0.682 33.280 ( 0.000 -0.809 0.000) 0.809 33.352 ( 0.000 0.129 -0.000) 0.129 33.359 ( 0.000 -0.196 0.000) 0.196 34.682 ( 0.000 1.487 0.000) 1.487 34.750 ( 0.000 -1.408 0.000) 1.408 35.010 ( 0.000 1.010 0.000) 1.010 35.070 ( 0.000 -1.564 0.000) 1.564 35.338 ( 0.000 4.192 -0.000) 4.192 35.482 ( 0.000 1.286 0.000) 1.286 35.537 ( 0.000 -4.632 0.000) 4.632 35.594 ( 0.000 -3.475 0.000) 3.475 35.805 ( 0.000 2.350 0.000) 2.350 35.867 ( 0.000 3.189 0.000) 3.189 35.906 ( 0.000 -0.941 0.000) 0.941 36.001 ( 0.000 -1.821 0.000) 1.821 36.941 ( 0.000 3.766 0.000) 3.766 37.008 ( 0.000 4.392 0.000) 4.392 37.289 ( 0.000 -1.440 0.000) 1.440 37.505 ( 0.000 -7.202 0.000) 7.202 ======================= Grid point 18 (11/63) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.000 -26.655 0.000) 26.655 0.958 ( 0.000 26.655 0.000) 26.655 1.220 ( 0.000 -30.122 0.000) 30.122 1.220 ( 0.000 30.122 0.000) 30.122 1.802 ( 0.000 -9.919 0.000) 9.919 1.802 ( 0.000 9.919 0.000) 9.919 1.994 ( 0.000 -41.290 0.000) 41.290 1.994 ( 0.000 41.290 0.000) 41.290 2.349 ( 0.000 -6.220 0.000) 6.220 2.349 ( 0.000 6.220 0.000) 6.220 2.388 ( 0.000 -4.973 0.000) 4.973 2.388 ( 0.000 4.973 0.000) 4.973 2.637 ( 0.000 -0.681 0.000) 0.681 2.637 ( 0.000 0.681 0.000) 0.681 2.729 ( 0.000 -11.331 0.000) 11.331 2.729 ( 0.000 11.331 0.000) 11.331 2.792 ( 0.000 -5.451 0.000) 5.451 2.792 ( 0.000 5.451 0.000) 5.451 3.012 ( 0.000 -0.977 0.000) 0.977 3.012 ( 0.000 0.977 0.000) 0.977 3.117 ( 0.000 -2.438 0.000) 2.438 3.117 ( 0.000 2.438 0.000) 2.438 3.216 ( 0.000 -3.900 0.000) 3.900 3.216 ( 0.000 3.900 0.000) 3.900 3.346 ( 0.000 -1.086 0.000) 1.086 3.346 ( 0.000 1.086 0.000) 1.086 3.492 ( 0.000 -1.913 0.000) 1.913 3.492 ( 0.000 1.913 0.000) 1.913 3.523 ( 0.000 -10.348 0.000) 10.348 3.523 ( 0.000 10.348 0.000) 10.348 3.819 ( 0.000 -1.314 0.000) 1.314 3.819 ( 0.000 1.314 0.000) 1.314 4.045 ( 0.000 -8.455 0.000) 8.455 4.045 ( 0.000 8.455 0.000) 8.455 4.064 ( 0.000 -9.883 0.000) 9.883 4.064 ( 0.000 9.883 0.000) 9.883 4.153 ( 0.000 -1.624 0.000) 1.624 4.153 ( 0.000 1.624 0.000) 1.624 4.244 ( 0.000 -3.982 0.000) 3.982 4.244 ( 0.000 3.982 0.000) 3.982 4.591 ( 0.000 -0.956 0.000) 0.956 4.591 ( 0.000 0.956 0.000) 0.956 4.774 ( 0.000 -0.852 0.000) 0.852 4.774 ( 0.000 0.852 0.000) 0.852 4.860 ( 0.000 -2.600 0.000) 2.600 4.860 ( 0.000 2.600 0.000) 2.600 4.909 ( 0.000 -2.359 0.000) 2.359 4.909 ( 0.000 2.359 0.000) 2.359 5.018 ( 0.000 -0.795 0.000) 0.795 5.018 ( 0.000 0.795 0.000) 0.795 5.108 ( 0.000 -1.527 0.000) 1.527 5.108 ( 0.000 1.527 0.000) 1.527 5.332 ( 0.000 -6.075 0.000) 6.075 5.332 ( 0.000 6.075 0.000) 6.075 5.369 ( 0.000 -7.672 0.000) 7.672 5.369 ( 0.000 7.672 0.000) 7.672 5.549 ( 0.000 -4.817 0.000) 4.817 5.549 ( 0.000 4.817 0.000) 4.817 5.633 ( 0.000 -2.991 0.000) 2.991 5.633 ( 0.000 2.991 0.000) 2.991 5.778 ( 0.000 -2.727 0.000) 2.727 5.778 ( 0.000 2.727 0.000) 2.727 5.843 ( 0.000 -1.514 0.000) 1.514 5.843 ( 0.000 1.514 0.000) 1.514 6.051 ( 0.000 -1.054 0.000) 1.054 6.051 ( 0.000 1.054 0.000) 1.054 6.333 ( 0.000 -4.060 0.000) 4.060 6.333 ( 0.000 4.060 0.000) 4.060 6.498 ( 0.000 -7.816 0.000) 7.816 6.498 ( 0.000 7.816 0.000) 7.816 6.556 ( 0.000 -0.355 0.000) 0.355 6.556 ( 0.000 0.355 0.000) 0.355 6.880 ( 0.000 -6.722 0.000) 6.722 6.880 ( 0.000 6.722 0.000) 6.722 6.989 ( 0.000 -0.936 0.000) 0.936 6.989 ( 0.000 0.936 0.000) 0.936 8.261 ( 0.000 -7.176 0.000) 7.176 8.261 ( 0.000 7.176 0.000) 7.176 8.309 ( 0.000 -1.412 0.000) 1.412 8.309 ( 0.000 1.412 0.000) 1.412 8.691 ( 0.000 -1.973 0.000) 1.973 8.691 ( 0.000 1.973 0.000) 1.973 8.710 ( 0.000 -6.045 0.000) 6.045 8.710 ( 0.000 6.045 0.000) 6.045 8.967 ( 0.000 -3.516 0.000) 3.516 8.967 ( 0.000 3.516 0.000) 3.516 9.032 ( 0.000 -0.837 0.000) 0.837 9.032 ( 0.000 0.837 0.000) 0.837 9.092 ( 0.000 -0.535 0.000) 0.535 9.092 ( 0.000 0.535 0.000) 0.535 9.309 ( 0.000 -4.347 0.000) 4.347 9.309 ( 0.000 4.347 0.000) 4.347 9.734 ( 0.000 -5.242 0.000) 5.242 9.734 ( 0.000 5.242 0.000) 5.242 10.070 ( 0.000 -2.130 0.000) 2.130 10.070 ( 0.000 2.130 0.000) 2.130 10.265 ( 0.000 -6.230 0.000) 6.230 10.265 ( 0.000 6.230 0.000) 6.230 10.357 ( 0.000 -3.360 0.000) 3.360 10.357 ( 0.000 3.360 0.000) 3.360 10.596 ( 0.000 -4.526 0.000) 4.526 10.596 ( 0.000 4.526 0.000) 4.526 10.766 ( 0.000 -3.895 0.000) 3.895 10.766 ( 0.000 3.895 0.000) 3.895 11.212 ( 0.000 -5.614 0.000) 5.614 11.212 ( 0.000 5.614 0.000) 5.614 11.283 ( 0.000 -7.607 0.000) 7.607 11.283 ( 0.000 7.607 0.000) 7.607 11.920 ( 0.000 -2.774 0.000) 2.774 11.920 ( 0.000 2.774 0.000) 2.774 12.076 ( 0.000 -2.478 0.000) 2.478 12.076 ( 0.000 2.478 0.000) 2.478 12.176 ( 0.000 -1.209 0.000) 1.209 12.176 ( 0.000 1.209 0.000) 1.209 12.329 ( 0.000 -3.918 0.000) 3.918 12.329 ( 0.000 3.918 0.000) 3.918 12.668 ( 0.000 -5.234 0.000) 5.234 12.668 ( 0.000 5.234 0.000) 5.234 12.740 ( 0.000 -3.684 0.000) 3.684 12.740 ( 0.000 3.684 0.000) 3.684 13.235 ( 0.000 -0.697 0.000) 0.697 13.235 ( 0.000 0.697 0.000) 0.697 13.247 ( 0.000 -1.918 0.000) 1.918 13.247 ( 0.000 1.918 0.000) 1.918 14.214 ( 0.000 -1.041 0.000) 1.041 14.214 ( 0.000 1.041 0.000) 1.041 14.365 ( 0.000 -3.965 0.000) 3.965 14.365 ( 0.000 3.965 0.000) 3.965 14.439 ( 0.000 -12.081 0.000) 12.081 14.439 ( 0.000 12.081 0.000) 12.081 14.581 ( 0.000 -1.952 0.000) 1.952 14.581 ( 0.000 1.952 0.000) 1.952 14.746 ( 0.000 -4.545 0.000) 4.545 14.746 ( 0.000 4.545 0.000) 4.545 14.980 ( 0.000 -2.728 0.000) 2.728 14.980 ( 0.000 2.728 0.000) 2.728 15.275 ( 0.000 -13.868 0.000) 13.868 15.275 ( 0.000 13.868 0.000) 13.868 15.628 ( 0.000 -0.105 0.000) 0.105 15.628 ( 0.000 0.105 0.000) 0.105 15.684 ( 0.000 -1.018 0.000) 1.018 15.684 ( 0.000 1.018 0.000) 1.018 16.082 ( 0.000 -2.859 0.000) 2.859 16.082 ( 0.000 2.859 0.000) 2.859 16.291 ( 0.000 -2.806 0.000) 2.806 16.291 ( 0.000 2.806 0.000) 2.806 16.307 ( 0.000 -0.956 0.000) 0.956 16.307 ( 0.000 0.956 0.000) 0.956 17.146 ( 0.000 -0.258 0.000) 0.258 17.146 ( 0.000 0.258 0.000) 0.258 17.180 ( 0.000 -1.441 0.000) 1.441 17.180 ( 0.000 1.441 0.000) 1.441 19.677 ( 0.000 -6.224 0.000) 6.224 19.677 ( 0.000 6.224 0.000) 6.224 19.772 ( 0.000 -2.786 0.000) 2.786 19.772 ( 0.000 2.786 0.000) 2.786 20.582 ( 0.000 -0.845 0.000) 0.845 20.582 ( 0.000 0.845 0.000) 0.845 20.799 ( 0.000 -1.698 0.000) 1.698 20.799 ( 0.000 1.698 0.000) 1.698 21.607 ( 0.000 -0.652 0.000) 0.652 21.607 ( 0.000 0.652 0.000) 0.652 21.724 ( 0.000 -1.268 0.000) 1.268 21.724 ( 0.000 1.268 0.000) 1.268 22.966 ( 0.000 -2.657 0.000) 2.657 22.966 ( 0.000 2.657 0.000) 2.657 23.159 ( 0.000 -0.632 0.000) 0.632 23.159 ( 0.000 0.632 0.000) 0.632 26.559 ( 0.000 -0.376 0.000) 0.376 26.559 ( 0.000 0.376 0.000) 0.376 26.589 ( 0.000 -0.047 0.000) 0.047 26.589 ( 0.000 0.047 0.000) 0.047 29.397 ( 0.000 -0.908 0.000) 0.908 29.397 ( 0.000 0.908 0.000) 0.908 29.594 ( 0.000 -5.159 0.000) 5.159 29.594 ( 0.000 5.159 0.000) 5.159 29.826 ( 0.000 -11.522 0.000) 11.522 29.826 ( 0.000 11.522 0.000) 11.522 30.524 ( 0.000 -0.124 0.000) 0.124 30.524 ( 0.000 0.124 0.000) 0.124 30.680 ( 0.000 -2.306 0.000) 2.306 30.680 ( 0.000 2.306 0.000) 2.306 30.958 ( 0.000 -1.217 0.000) 1.217 30.958 ( 0.000 1.217 0.000) 1.217 31.609 ( 0.000 -5.214 0.000) 5.214 31.609 ( 0.000 5.214 0.000) 5.214 32.081 ( 0.000 -1.229 0.000) 1.229 32.081 ( 0.000 1.229 0.000) 1.229 32.157 ( 0.000 -2.169 0.000) 2.169 32.157 ( 0.000 2.169 0.000) 2.169 32.265 ( 0.000 -0.384 0.000) 0.384 32.265 ( 0.000 0.384 0.000) 0.384 32.327 ( 0.000 -1.291 0.000) 1.291 32.327 ( 0.000 1.291 0.000) 1.291 33.260 ( 0.000 -0.042 0.000) 0.042 33.260 ( 0.000 0.042 0.000) 0.042 33.895 ( 0.000 -1.002 0.000) 1.002 33.895 ( 0.000 1.002 0.000) 1.002 34.263 ( 0.000 -0.823 0.000) 0.823 34.263 ( 0.000 0.823 0.000) 0.823 34.748 ( 0.000 -0.563 0.000) 0.563 34.748 ( 0.000 0.563 0.000) 0.563 34.842 ( 0.000 -0.880 0.000) 0.880 34.842 ( 0.000 0.880 0.000) 0.880 35.337 ( 0.000 -1.340 0.000) 1.340 35.337 ( 0.000 1.340 0.000) 1.340 35.393 ( 0.000 -2.102 0.000) 2.102 35.393 ( 0.000 2.102 0.000) 2.102 35.425 ( 0.000 -2.563 0.000) 2.563 35.425 ( 0.000 2.563 0.000) 2.563 35.773 ( 0.000 -2.792 0.000) 2.792 35.773 ( 0.000 2.792 0.000) 2.792 36.009 ( 0.000 -0.023 0.000) 0.023 36.009 ( 0.000 0.023 0.000) 0.023 38.292 ( 0.000 -10.805 0.000) 10.805 38.292 ( 0.000 10.805 0.000) 10.805 ======================= Grid point 20 (12/63) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 3.590 -20.453 11.045) 23.520 1.144 ( 3.590 20.453 11.045) 23.520 1.284 ( 10.814 -17.588 9.209) 22.607 1.284 ( 10.814 17.588 9.209) 22.607 1.787 ( -0.581 -9.576 2.313) 9.869 1.787 ( -0.581 9.576 2.313) 9.869 2.085 ( 7.582 -31.109 -2.377) 32.108 2.085 ( 7.582 31.109 -2.377) 32.108 2.324 ( -0.660 -0.815 -0.511) 1.167 2.324 ( -0.660 0.815 -0.511) 1.167 2.434 ( 2.914 -4.987 1.312) 5.923 2.434 ( 2.914 4.987 1.312) 5.923 2.622 ( 1.711 -6.280 -4.122) 7.704 2.622 ( 1.711 6.280 -4.122) 7.704 2.777 ( 6.730 -1.286 -0.967) 6.919 2.777 ( 6.730 1.286 -0.967) 6.919 2.878 ( 0.831 -12.384 4.066) 13.061 2.878 ( 0.831 12.384 4.066) 13.061 2.946 ( -4.053 -2.930 -5.699) 7.583 2.946 ( -4.053 2.930 -5.699) 7.583 3.138 ( 4.539 -1.235 -0.997) 4.809 3.138 ( 4.539 1.235 -0.997) 4.809 3.210 ( 0.999 -2.239 3.467) 4.246 3.210 ( 0.999 2.239 3.467) 4.246 3.354 ( -2.429 -2.424 2.201) 4.077 3.354 ( -2.429 2.424 2.201) 4.077 3.505 ( 0.449 -4.896 6.034) 7.783 3.505 ( 0.449 4.896 6.034) 7.783 3.582 ( 2.435 -6.815 -1.098) 7.319 3.582 ( 2.435 6.815 -1.098) 7.319 3.760 ( 2.709 -2.073 -4.538) 5.677 3.760 ( 2.709 2.073 -4.538) 5.677 3.956 ( -2.734 -5.700 -2.570) 6.824 3.956 ( -2.734 5.700 -2.570) 6.824 4.103 ( 3.324 -2.805 -2.204) 4.876 4.103 ( 3.324 2.805 -2.204) 4.876 4.264 ( 6.557 -3.112 2.559) 7.696 4.264 ( 6.557 3.112 2.559) 7.696 4.357 ( 4.019 -3.413 4.032) 6.637 4.357 ( 4.019 3.413 4.032) 6.637 4.540 ( -5.756 -0.483 2.439) 6.270 4.540 ( -5.756 0.483 2.439) 6.270 4.707 ( -3.188 -2.363 -1.358) 4.195 4.707 ( -3.188 2.363 -1.358) 4.195 4.823 ( -0.886 -2.789 -6.570) 7.192 4.823 ( -0.886 2.789 -6.570) 7.192 4.870 ( -4.294 -0.830 -1.753) 4.712 4.870 ( -4.294 0.830 -1.753) 4.712 5.039 ( 2.701 -4.491 2.064) 5.633 5.039 ( 2.701 4.491 2.064) 5.633 5.124 ( 0.578 -1.209 0.781) 1.551 5.124 ( 0.578 1.209 0.781) 1.551 5.310 ( -0.755 -5.879 -2.788) 6.550 5.310 ( -0.755 5.879 -2.788) 6.550 5.406 ( -0.257 -7.602 1.231) 7.705 5.406 ( -0.257 7.602 1.231) 7.705 5.503 ( -7.885 -3.066 -1.773) 8.643 5.503 ( -7.885 3.066 -1.773) 8.643 5.609 ( 5.067 -1.605 0.109) 5.316 5.609 ( 5.067 1.605 0.109) 5.316 5.805 ( 3.337 -4.475 -0.085) 5.583 5.805 ( 3.337 4.475 -0.085) 5.583 5.880 ( 1.431 -3.154 2.010) 4.004 5.880 ( 1.431 3.154 2.010) 4.004 6.053 ( -1.249 -0.530 1.358) 1.920 6.053 ( -1.249 0.530 1.358) 1.920 6.296 ( -5.461 -5.142 -0.051) 7.501 6.296 ( -5.461 5.142 -0.051) 7.501 6.465 ( -0.652 -4.396 -2.950) 5.334 6.465 ( -0.652 4.396 -2.950) 5.334 6.612 ( 3.286 -0.602 2.735) 4.318 6.612 ( 3.286 0.602 2.735) 4.318 6.825 ( -4.152 -3.892 -0.113) 5.692 6.825 ( -4.152 3.892 -0.113) 5.692 6.976 ( -1.493 -4.018 -0.222) 4.292 6.976 ( -1.493 4.018 -0.222) 4.292 8.123 ( -14.456 -3.526 -0.050) 14.880 8.123 ( -14.456 3.526 -0.050) 14.880 8.154 ( -12.882 -3.371 0.247) 13.318 8.154 ( -12.882 3.371 0.247) 13.318 8.736 ( 3.340 -1.446 0.347) 3.656 8.736 ( 3.340 1.446 0.347) 3.656 8.795 ( 5.662 -3.203 -0.344) 6.514 8.795 ( 5.662 3.203 -0.344) 6.514 8.951 ( 0.308 -3.204 -1.225) 3.444 8.951 ( 0.308 3.204 -1.225) 3.444 9.059 ( 3.947 -1.683 -1.405) 4.515 9.059 ( 3.947 1.683 -1.405) 4.515 9.109 ( 0.662 -1.168 1.412) 1.948 9.109 ( 0.662 1.168 1.412) 1.948 9.305 ( 0.293 -3.229 -0.642) 3.305 9.305 ( 0.293 3.229 -0.642) 3.305 9.744 ( -0.345 -4.366 1.819) 4.742 9.744 ( -0.345 4.366 1.819) 4.742 9.981 ( -9.554 -2.198 0.660) 9.826 9.981 ( -9.554 2.198 0.660) 9.826 10.154 ( -9.671 -5.592 -0.868) 11.205 10.154 ( -9.671 5.592 -0.868) 11.205 10.312 ( -4.566 -2.546 -1.199) 5.363 10.312 ( -4.566 2.546 -1.199) 5.363 10.591 ( -1.209 -4.340 0.176) 4.509 10.591 ( -1.209 4.340 0.176) 4.509 10.716 ( -3.762 -3.787 -1.095) 5.449 10.716 ( -3.762 3.787 -1.095) 5.449 11.287 ( 7.813 -2.695 0.302) 8.270 11.287 ( 7.813 2.695 0.302) 8.270 11.351 ( 7.169 -4.199 -0.415) 8.319 11.351 ( 7.169 4.199 -0.415) 8.319 11.933 ( 1.079 -2.350 0.416) 2.620 11.933 ( 1.079 2.350 0.416) 2.620 12.069 ( -0.151 -0.875 -0.820) 1.209 12.069 ( -0.151 0.875 -0.820) 1.209 12.142 ( -2.624 -0.295 1.061) 2.846 12.142 ( -2.624 0.295 1.061) 2.846 12.307 ( -2.992 -3.962 -0.248) 4.971 12.307 ( -2.992 3.962 -0.248) 4.971 12.675 ( 0.990 -5.568 -0.041) 5.655 12.675 ( 0.990 5.568 -0.041) 5.655 12.761 ( 1.473 -4.506 0.179) 4.744 12.761 ( 1.473 4.506 0.179) 4.744 13.300 ( 5.919 -3.944 0.017) 7.113 13.300 ( 5.919 3.944 0.017) 7.113 13.336 ( 9.008 -5.319 -0.029) 10.461 13.336 ( 9.008 5.319 -0.029) 10.461 14.132 ( -6.727 -1.283 0.018) 6.849 14.132 ( -6.727 1.283 0.018) 6.849 14.257 ( -9.238 -4.974 -0.271) 10.496 14.257 ( -9.238 4.974 -0.271) 10.496 14.456 ( 3.507 -8.700 0.226) 9.383 14.456 ( 3.507 8.700 0.226) 9.383 14.665 ( 4.629 -0.888 0.841) 4.788 14.665 ( 4.629 0.888 0.841) 4.788 14.876 ( 10.885 -7.204 0.308) 13.057 14.876 ( 10.885 7.204 0.308) 13.057 15.067 ( 9.894 -0.670 -0.954) 9.963 15.067 ( 9.894 0.670 -0.954) 9.963 15.321 ( 2.725 -9.744 -0.030) 10.118 15.321 ( 2.725 9.744 -0.030) 10.118 15.577 ( -7.888 -0.998 -0.044) 7.951 15.577 ( -7.888 0.998 -0.044) 7.951 15.640 ( -1.533 -0.581 1.439) 2.181 15.640 ( -1.533 0.581 1.439) 2.181 15.943 ( -3.557 -7.796 -4.756) 9.800 15.943 ( -3.557 7.796 -4.756) 9.800 16.340 ( 4.516 -0.724 -0.163) 4.577 16.340 ( 4.516 0.724 -0.163) 4.577 16.416 ( 8.039 -5.566 -3.560) 10.406 16.416 ( 8.039 5.566 -3.560) 10.406 17.146 ( -0.150 -0.264 0.146) 0.337 17.146 ( -0.150 0.264 0.146) 0.337 17.189 ( 0.784 -1.567 0.446) 1.808 17.189 ( 0.784 1.567 0.446) 1.808 19.682 ( 2.075 -5.290 -1.686) 5.927 19.682 ( 2.075 5.290 -1.686) 5.927 19.808 ( 4.310 -2.059 -0.521) 4.805 19.808 ( 4.310 2.059 -0.521) 4.805 20.532 ( -5.630 -1.238 0.203) 5.768 20.532 ( -5.630 1.238 0.203) 5.768 20.775 ( -3.063 -1.045 -0.091) 3.237 20.775 ( -3.063 1.045 -0.091) 3.237 21.686 ( 7.223 -1.683 1.938) 7.666 21.686 ( 7.223 1.683 1.938) 7.666 21.769 ( 5.694 -1.108 -1.153) 5.914 21.769 ( 5.694 1.108 -1.153) 5.914 22.915 ( -4.283 -2.767 -2.066) 5.502 22.915 ( -4.283 2.767 -2.066) 5.502 23.057 ( -10.113 -0.591 1.351) 10.219 23.057 ( -10.113 0.591 1.351) 10.219 26.658 ( 11.716 -0.933 -0.145) 11.754 26.658 ( 11.716 0.933 -0.145) 11.754 26.819 ( 22.635 -7.666 -1.474) 23.943 26.819 ( 22.635 7.666 -1.474) 23.943 29.261 ( -17.510 -5.395 -0.097) 18.323 29.261 ( -17.510 5.395 -0.097) 18.323 29.327 ( -18.612 -6.108 1.466) 19.643 29.327 ( -18.612 6.108 1.466) 19.643 30.096 ( 18.023 -9.160 1.707) 20.289 30.096 ( 18.023 9.160 1.707) 20.289 30.520 ( 0.464 -2.177 -0.337) 2.251 30.520 ( 0.464 2.177 -0.337) 2.251 30.702 ( 4.225 -2.271 -1.958) 5.181 30.702 ( 4.225 2.271 -1.958) 5.181 30.980 ( 3.664 -7.309 -1.769) 8.365 30.980 ( 3.664 7.309 -1.769) 8.365 31.602 ( -2.215 -5.349 0.813) 5.847 31.602 ( -2.215 5.349 0.813) 5.847 31.964 ( -8.912 -1.597 0.777) 9.087 31.964 ( -8.912 1.597 0.777) 9.087 32.068 ( -6.469 -4.087 -1.423) 7.783 32.068 ( -6.469 4.087 -1.423) 7.783 32.344 ( 9.497 -2.794 -0.685) 9.923 32.344 ( 9.497 2.794 -0.685) 9.923 32.513 ( 13.761 -0.601 -2.037) 13.924 32.513 ( 13.761 0.601 -2.037) 13.924 33.110 ( -8.404 -10.141 -21.958) 25.605 33.110 ( -8.404 10.141 -21.958) 25.605 33.539 ( -11.247 -12.950 -26.572) 31.627 33.539 ( -11.247 12.950 -26.572) 31.627 33.837 ( -5.118 -0.986 -4.080) 6.619 33.837 ( -5.118 0.986 -4.080) 6.619 34.789 ( -0.214 -1.264 0.824) 1.524 34.789 ( -0.214 1.264 0.824) 1.524 34.912 ( 1.059 -1.189 2.928) 3.333 34.912 ( 1.059 1.189 2.928) 3.333 35.397 ( 2.057 -1.627 0.229) 2.633 35.397 ( 2.057 1.627 0.229) 2.633 35.422 ( 3.915 -1.443 0.963) 4.282 35.422 ( 3.915 1.443 0.963) 4.282 35.546 ( 5.799 -4.184 -3.531) 7.974 35.546 ( 5.799 4.184 -3.531) 7.974 35.955 ( -5.012 -3.944 9.881) 11.760 35.955 ( -5.012 3.944 9.881) 11.760 36.265 ( 7.925 -13.868 36.783) 40.101 36.265 ( 7.925 13.868 36.783) 40.101 38.164 ( -11.453 -12.118 -3.629) 17.064 38.164 ( -11.453 12.118 -3.629) 17.064 ======================= Grid point 22 (13/63) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 12.972 -14.294 6.038) 20.225 1.364 ( 12.972 14.294 6.038) 20.225 1.715 ( 13.706 -8.763 14.066) 21.505 1.715 ( 13.706 8.763 14.066) 21.505 1.903 ( 6.894 -5.721 8.040) 12.038 1.903 ( 6.894 5.721 8.040) 12.038 2.147 ( 6.441 -10.263 -3.403) 12.586 2.147 ( 6.441 10.263 -3.403) 12.586 2.282 ( -4.809 -8.095 -3.709) 10.119 2.282 ( -4.809 8.095 -3.709) 10.119 2.493 ( 3.258 -6.502 0.474) 7.288 2.493 ( 3.258 6.502 0.474) 7.288 2.593 ( -6.022 -4.101 -1.995) 7.554 2.593 ( -6.022 4.101 -1.995) 7.554 2.744 ( 2.327 -5.945 -1.420) 6.541 2.744 ( 2.327 5.945 -1.420) 6.541 2.866 ( -3.153 -2.698 0.620) 4.196 2.866 ( -3.153 2.698 0.620) 4.196 3.013 ( 8.503 -7.954 3.587) 12.183 3.013 ( 8.503 7.954 3.587) 12.183 3.112 ( -1.055 -0.552 -4.426) 4.583 3.112 ( -1.055 0.552 -4.426) 4.583 3.302 ( -0.162 -5.008 1.929) 5.369 3.302 ( -0.162 5.008 1.929) 5.369 3.487 ( 8.699 -1.292 7.052) 11.272 3.487 ( 8.699 1.292 7.052) 11.272 3.555 ( 5.980 -3.083 2.476) 7.169 3.555 ( 5.980 3.083 2.476) 7.169 3.646 ( 2.303 -2.860 3.494) 5.069 3.646 ( 2.303 2.860 3.494) 5.069 3.799 ( 4.279 -1.218 -5.284) 6.907 3.799 ( 4.279 1.218 -5.284) 6.907 3.948 ( 2.728 -5.112 1.404) 5.962 3.948 ( 2.728 5.112 1.404) 5.962 4.130 ( 3.282 -4.136 -3.261) 6.206 4.130 ( 3.282 4.136 -3.261) 6.206 4.260 ( -3.731 -3.866 -5.137) 7.433 4.260 ( -3.731 3.866 -5.137) 7.433 4.431 ( 1.784 -4.003 0.890) 4.472 4.431 ( 1.784 4.003 0.890) 4.472 4.548 ( -2.372 -2.515 5.321) 6.346 4.548 ( -2.372 2.515 5.321) 6.346 4.625 ( -5.509 -1.365 -0.620) 5.709 4.625 ( -5.509 1.365 -0.620) 5.709 4.705 ( -0.259 -1.304 -5.468) 5.627 4.705 ( -0.259 1.304 -5.468) 5.627 4.834 ( 3.069 -2.580 -0.582) 4.051 4.834 ( 3.069 2.580 -0.582) 4.051 5.071 ( -3.653 -7.309 -3.309) 8.816 5.071 ( -3.653 7.309 -3.309) 8.816 5.127 ( 0.704 -2.537 0.908) 2.785 5.127 ( 0.704 2.537 0.908) 2.785 5.238 ( -2.406 -6.594 -3.296) 7.755 5.238 ( -2.406 6.594 -3.296) 7.755 5.307 ( -4.158 -4.790 -0.542) 6.366 5.307 ( -4.158 4.790 -0.542) 6.366 5.456 ( 0.089 -4.912 -0.499) 4.938 5.456 ( 0.089 4.912 -0.499) 4.938 5.686 ( -0.210 -2.375 -1.478) 2.805 5.686 ( -0.210 2.375 -1.478) 2.805 5.836 ( -1.104 -2.072 0.092) 2.350 5.836 ( -1.104 2.072 0.092) 2.350 5.937 ( 3.957 -2.575 1.421) 4.930 5.937 ( 3.957 2.575 1.421) 4.930 6.047 ( -0.059 -0.590 2.204) 2.282 6.047 ( -0.059 0.590 2.204) 2.282 6.193 ( -3.377 -4.421 0.306) 5.572 6.193 ( -3.377 4.421 0.306) 5.572 6.448 ( 0.855 -1.264 -0.613) 1.644 6.448 ( 0.855 1.264 -0.613) 1.644 6.680 ( 1.034 -0.765 0.892) 1.565 6.680 ( 1.034 0.765 0.892) 1.565 6.769 ( -1.454 -3.806 -0.946) 4.183 6.769 ( -1.454 3.806 -0.946) 4.183 6.934 ( -3.591 -4.118 0.742) 5.514 6.934 ( -3.591 4.118 0.742) 5.514 7.829 ( -17.236 -4.109 -1.327) 17.769 7.829 ( -17.236 4.109 -1.327) 17.769 7.939 ( -12.711 -6.790 0.610) 14.424 7.939 ( -12.711 6.790 0.610) 14.424 8.767 ( -0.288 -0.675 0.637) 0.971 8.767 ( -0.288 0.675 0.637) 0.971 8.829 ( 0.175 -1.832 -1.286) 2.245 8.829 ( 0.175 1.832 -1.286) 2.245 8.989 ( 4.261 -0.922 -0.239) 4.366 8.989 ( 4.261 0.922 -0.239) 4.366 9.104 ( 1.564 -1.145 -1.132) 2.244 9.104 ( 1.564 1.145 -1.132) 2.244 9.158 ( 4.192 -1.434 1.510) 4.681 9.158 ( 4.192 1.434 1.510) 4.681 9.314 ( 2.023 -0.688 -1.130) 2.417 9.314 ( 2.023 0.688 -1.130) 2.417 9.719 ( -6.841 -1.291 0.116) 6.963 9.719 ( -6.841 1.291 0.116) 6.962 9.818 ( -9.887 -2.254 2.666) 10.485 9.818 ( -9.887 2.254 2.666) 10.485 10.001 ( -5.553 -6.230 1.183) 8.429 10.001 ( -5.553 6.230 1.183) 8.429 10.195 ( -5.579 -2.228 -2.477) 6.498 10.195 ( -5.579 2.228 -2.477) 6.498 10.547 ( -2.878 -4.781 -0.928) 5.656 10.547 ( -2.878 4.781 -0.928) 5.656 10.656 ( -2.619 -3.794 0.539) 4.641 10.656 ( -2.619 3.794 0.539) 4.641 11.441 ( 8.813 -0.204 -0.445) 8.827 11.441 ( 8.813 0.204 -0.445) 8.827 11.490 ( 8.439 -0.952 0.292) 8.498 11.490 ( 8.439 0.952 0.292) 8.498 11.955 ( -0.006 -0.585 1.205) 1.340 11.955 ( -0.006 0.585 1.205) 1.340 12.060 ( -0.743 -1.968 0.794) 2.248 12.060 ( -0.743 1.968 0.794) 2.248 12.121 ( -0.657 -1.025 -0.272) 1.247 12.121 ( -0.657 1.025 -0.272) 1.247 12.244 ( -2.049 -3.181 -1.199) 3.969 12.244 ( -2.049 3.181 -1.199) 3.969 12.702 ( 1.527 -4.509 0.468) 4.783 12.702 ( 1.527 4.509 0.468) 4.783 12.780 ( 0.434 -3.726 -0.072) 3.752 12.780 ( 0.434 3.726 -0.072) 3.752 13.417 ( 6.503 -6.681 0.258) 9.327 13.417 ( 6.503 6.681 0.258) 9.327 13.478 ( 6.873 -8.277 -0.407) 10.766 13.478 ( 6.873 8.277 -0.407) 10.766 14.058 ( -0.956 -3.241 0.134) 3.382 14.058 ( -0.956 3.241 0.134) 3.382 14.137 ( -3.173 -5.031 -0.174) 5.951 14.137 ( -3.173 5.031 -0.174) 5.951 14.518 ( 0.810 -5.440 1.197) 5.629 14.518 ( 0.810 5.440 1.197) 5.629 14.688 ( -1.964 -1.002 -0.009) 2.205 14.688 ( -1.964 1.002 -0.009) 2.205 15.044 ( 5.235 -9.044 0.399) 10.457 15.044 ( 5.235 9.044 0.399) 10.457 15.212 ( 4.071 -3.851 -0.376) 5.617 15.212 ( 4.071 3.851 -0.376) 5.617 15.334 ( 0.309 -2.999 0.581) 3.070 15.334 ( 0.309 2.999 0.581) 3.070 15.423 ( -2.255 -1.408 -0.646) 2.736 15.423 ( -2.255 1.408 -0.646) 2.736 15.759 ( 9.692 -0.394 1.715) 9.850 15.759 ( 9.692 0.394 1.715) 9.850 15.882 ( 2.747 -4.306 -5.098) 7.216 15.882 ( 2.747 4.306 -5.098) 7.216 16.403 ( 0.899 -1.083 0.038) 1.408 16.403 ( 0.899 1.083 0.038) 1.408 16.454 ( 2.244 -3.051 -2.158) 4.359 16.454 ( 2.244 3.051 -2.158) 4.359 17.147 ( 0.371 -0.410 0.092) 0.560 17.147 ( 0.371 0.410 0.092) 0.560 17.213 ( 1.265 -1.630 0.143) 2.068 17.213 ( 1.265 1.630 0.143) 2.068 19.720 ( 5.329 -3.266 -2.002) 6.563 19.720 ( 5.329 3.266 -2.002) 6.563 19.900 ( 7.210 -0.967 -0.940) 7.335 19.900 ( 7.210 0.967 -0.940) 7.335 20.404 ( -9.358 -2.133 0.336) 9.604 20.404 ( -9.358 2.133 0.336) 9.604 20.692 ( -5.798 -1.389 -0.479) 5.982 20.692 ( -5.798 1.389 -0.479) 5.982 21.872 ( 9.949 -2.937 1.846) 10.536 21.872 ( 9.949 2.937 1.846) 10.536 21.881 ( 9.797 -1.454 -1.499) 10.017 21.881 ( 9.797 1.454 -1.499) 10.017 22.786 ( -7.134 -3.062 -2.035) 8.026 22.786 ( -7.134 3.062 -2.035) 8.026 22.897 ( -11.050 -2.250 2.418) 11.533 22.897 ( -11.050 2.250 2.418) 11.533 26.947 ( 20.593 -3.073 1.193) 20.855 26.947 ( 20.593 3.073 1.193) 20.855 27.192 ( 23.557 -10.952 -4.675) 26.396 27.192 ( 23.557 10.952 -4.675) 26.396 28.884 ( -23.328 -7.066 -0.052) 24.374 28.884 ( -23.328 7.066 -0.052) 24.374 28.998 ( -22.107 -5.072 0.456) 22.685 28.998 ( -22.107 5.072 0.456) 22.685 30.392 ( 12.601 -5.824 2.426) 14.092 30.392 ( 12.601 5.824 2.426) 14.092 30.560 ( 4.696 -2.790 0.215) 5.466 30.560 ( 4.696 2.790 0.215) 5.466 30.786 ( 8.238 -2.716 -1.851) 8.870 30.786 ( 8.238 2.716 -1.851) 8.870 31.026 ( 4.092 -6.195 -2.548) 7.850 31.026 ( 4.092 6.195 -2.548) 7.850 31.525 ( -8.162 -5.452 1.560) 9.939 31.525 ( -8.162 5.452 1.560) 9.939 31.783 ( -11.068 -5.254 -4.242) 12.965 31.783 ( -11.068 5.254 -4.242) 12.965 32.017 ( 2.964 -5.390 -1.410) 6.311 32.017 ( 2.964 5.390 -1.410) 6.311 32.369 ( 2.119 -13.543 -16.312) 21.306 32.369 ( 2.119 13.543 -16.312) 21.306 32.652 ( 9.623 -2.370 -3.275) 10.437 32.652 ( 9.623 2.370 -3.275) 10.437 32.873 ( 10.640 -2.651 -4.437) 11.829 32.873 ( 10.640 2.651 -4.437) 11.829 33.345 ( -3.838 -1.967 -0.293) 4.323 33.345 ( -3.838 1.967 -0.293) 4.323 33.671 ( -7.844 -1.339 -4.282) 9.037 33.671 ( -7.844 1.339 -4.282) 9.037 34.779 ( -1.393 -2.019 -0.289) 2.470 34.779 ( -1.393 2.019 -0.289) 2.470 34.962 ( 1.066 -0.407 2.665) 2.899 34.962 ( 1.066 0.407 2.665) 2.899 35.431 ( 2.029 -2.670 -0.478) 3.387 35.431 ( 2.029 2.670 -0.478) 3.387 35.510 ( 4.363 -3.257 -2.194) 5.870 35.510 ( 4.363 3.257 -2.194) 5.870 35.600 ( 3.061 -0.297 4.563) 5.503 35.600 ( 3.061 0.297 4.563) 5.503 35.957 ( -1.118 -3.216 1.021) 3.554 35.957 ( -1.118 3.216 1.021) 3.554 36.740 ( 0.896 -14.281 26.502) 30.118 36.740 ( 0.896 14.281 26.502) 30.118 37.850 ( -16.805 -12.771 -5.949) 21.930 37.850 ( -16.805 12.771 -5.949) 21.930 ======================= Grid point 24 (14/63) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 5.624 -6.226 5.849) 10.228 1.650 ( 5.624 6.226 5.849) 10.228 1.907 ( -6.089 -3.276 -4.851) 8.446 1.907 ( -6.089 3.276 -4.851) 8.446 2.018 ( 9.467 -13.401 -4.598) 17.039 2.018 ( 9.467 13.401 -4.598) 17.039 2.202 ( 2.574 -4.206 8.153) 9.528 2.202 ( 2.574 4.206 8.153) 9.528 2.349 ( 13.020 -4.218 4.035) 14.268 2.349 ( 13.020 4.218 4.035) 14.268 2.492 ( -2.780 -2.061 2.028) 4.011 2.492 ( -2.780 2.061 2.028) 4.011 2.609 ( 4.856 -4.101 3.556) 7.283 2.609 ( 4.856 4.101 3.556) 7.283 2.809 ( -2.725 -7.793 2.447) 8.611 2.809 ( -2.725 7.793 2.447) 8.611 2.846 ( 2.865 -2.059 -0.114) 3.530 2.846 ( 2.865 2.059 -0.114) 3.530 2.979 ( -3.541 -5.157 -1.146) 6.359 2.979 ( -3.541 5.157 -1.146) 6.359 3.236 ( 7.161 -4.204 3.109) 8.867 3.236 ( 7.161 4.204 3.109) 8.867 3.372 ( 7.591 -1.186 -0.163) 7.685 3.372 ( 7.591 1.186 -0.163) 7.685 3.537 ( -5.040 -6.029 -2.958) 8.396 3.537 ( -5.040 6.029 -2.958) 8.396 3.640 ( 0.987 -6.101 1.021) 6.264 3.640 ( 0.987 6.101 1.021) 6.264 3.813 ( 2.634 -6.195 4.731) 8.228 3.813 ( 2.634 6.195 4.731) 8.228 3.869 ( 7.211 -2.716 0.977) 7.767 3.869 ( 7.211 2.716 0.977) 7.767 3.961 ( 1.279 -5.643 -1.554) 5.991 3.961 ( 1.279 5.643 -1.554) 5.991 4.082 ( -3.067 -2.033 -5.335) 6.481 4.082 ( -3.067 2.033 -5.335) 6.481 4.220 ( 1.456 -0.369 2.789) 3.168 4.220 ( 1.456 0.369 2.789) 3.168 4.406 ( 0.301 -1.410 -4.517) 4.741 4.406 ( 0.301 1.410 -4.517) 4.741 4.450 ( -3.777 -5.281 -1.969) 6.784 4.450 ( -3.777 5.281 -1.969) 6.784 4.634 ( -1.570 -1.553 1.538) 2.691 4.634 ( -1.570 1.553 1.538) 2.691 4.714 ( 1.595 -2.730 2.089) 3.790 4.714 ( 1.595 2.730 2.089) 3.790 4.852 ( -1.302 -2.594 0.278) 2.915 4.852 ( -1.302 2.594 0.278) 2.915 4.961 ( -0.880 -2.661 -2.233) 3.583 4.961 ( -0.880 2.661 -2.233) 3.583 5.133 ( -0.096 -1.026 -2.936) 3.111 5.133 ( -0.096 1.026 -2.936) 3.111 5.194 ( 0.928 -4.776 -1.361) 5.052 5.194 ( 0.928 4.776 -1.361) 5.052 5.292 ( 0.625 -2.198 2.452) 3.352 5.292 ( 0.625 2.198 2.452) 3.352 5.416 ( -2.231 -4.397 -2.952) 5.747 5.416 ( -2.231 4.397 -2.952) 5.747 5.564 ( -5.319 -3.641 -3.167) 7.182 5.564 ( -5.319 3.641 -3.167) 7.182 5.840 ( -1.650 -3.315 1.634) 4.048 5.840 ( -1.650 3.315 1.634) 4.048 5.969 ( 1.256 -1.068 -1.328) 2.117 5.969 ( 1.256 1.068 -1.328) 2.117 6.116 ( -0.435 -4.335 2.578) 5.062 6.116 ( -0.435 4.335 2.578) 5.062 6.216 ( 4.841 -1.539 2.301) 5.577 6.216 ( 4.841 1.539 2.301) 5.577 6.469 ( 1.981 -1.089 -0.222) 2.272 6.469 ( 1.981 1.089 -0.222) 2.272 6.653 ( -2.158 -0.878 -2.737) 3.595 6.653 ( -2.158 0.878 -2.737) 3.595 6.765 ( 0.680 -4.378 0.606) 4.472 6.765 ( 0.680 4.378 0.606) 4.472 6.896 ( -0.914 -2.587 1.048) 2.937 6.896 ( -0.914 2.587 1.048) 2.937 7.528 ( -14.150 -5.634 -2.206) 15.389 7.528 ( -14.150 5.634 -2.206) 15.389 7.748 ( -9.354 -7.767 0.170) 12.160 7.748 ( -9.354 7.767 0.170) 12.160 8.761 ( -0.926 -0.134 0.697) 1.167 8.761 ( -0.926 0.134 0.697) 1.167 8.812 ( -0.047 -3.184 -1.034) 3.348 8.812 ( -0.047 3.184 -1.034) 3.348 9.044 ( 1.436 -1.422 0.261) 2.038 9.044 ( 1.436 1.422 0.261) 2.038 9.101 ( 0.470 -1.529 -0.833) 1.803 9.101 ( 0.470 1.529 -0.833) 1.803 9.263 ( 4.476 -0.147 1.382) 4.686 9.263 ( 4.476 0.147 1.382) 4.686 9.351 ( 3.992 -0.853 -0.701) 4.142 9.351 ( 3.992 0.853 -0.701) 4.142 9.554 ( -9.272 -1.425 -0.064) 9.382 9.554 ( -9.272 1.425 -0.064) 9.382 9.692 ( -7.462 -1.606 0.923) 7.688 9.692 ( -7.462 1.606 0.923) 7.688 9.986 ( -1.565 -3.721 1.205) 4.213 9.986 ( -1.565 3.721 1.205) 4.213 10.098 ( -1.772 -1.555 -0.709) 2.462 10.098 ( -1.772 1.555 -0.709) 2.462 10.498 ( -1.252 -4.994 -0.676) 5.193 10.498 ( -1.252 4.994 -0.676) 5.193 10.623 ( -1.948 -2.769 0.139) 3.388 10.623 ( -1.948 2.769 0.139) 3.388 11.556 ( 4.869 -1.029 -0.337) 4.988 11.556 ( 4.869 1.029 -0.337) 4.988 11.615 ( 4.822 -1.052 0.389) 4.951 11.615 ( 4.822 1.052 0.389) 4.951 11.960 ( -0.760 -1.597 0.768) 1.928 11.960 ( -0.760 1.597 0.768) 1.928 12.058 ( -1.295 -1.845 2.157) 3.120 12.058 ( -1.295 1.845 2.157) 3.120 12.120 ( 1.208 -3.387 -1.213) 3.795 12.120 ( 1.208 3.387 -1.213) 3.795 12.225 ( 1.411 -1.828 -1.019) 2.524 12.225 ( 1.411 1.828 -1.019) 2.524 12.721 ( -0.347 -1.879 0.296) 1.934 12.721 ( -0.347 1.879 0.296) 1.934 12.773 ( -0.823 -1.205 -0.020) 1.459 12.773 ( -0.823 1.205 -0.020) 1.459 13.510 ( 3.625 -5.633 0.575) 6.723 13.510 ( 3.625 5.633 0.575) 6.723 13.552 ( 2.486 -5.974 -0.463) 6.487 13.552 ( 2.486 5.974 -0.463) 6.487 14.100 ( 4.811 -4.114 -0.198) 6.333 14.100 ( 4.811 4.114 -0.198) 6.333 14.152 ( 4.153 -1.219 0.082) 4.330 14.152 ( 4.153 1.219 0.082) 4.330 14.489 ( -4.716 -3.852 0.815) 6.143 14.489 ( -4.716 3.852 0.815) 6.143 14.618 ( -5.555 -2.707 -0.186) 6.182 14.618 ( -5.555 2.707 -0.186) 6.182 15.058 ( -1.390 -6.042 0.365) 6.211 15.058 ( -1.390 6.042 0.365) 6.211 15.156 ( -5.386 -6.485 0.193) 8.432 15.156 ( -5.386 6.485 0.193) 8.432 15.430 ( 5.753 -1.392 0.836) 5.978 15.430 ( 5.753 1.392 0.836) 5.978 15.474 ( 5.252 -2.612 -0.621) 5.898 15.474 ( 5.252 2.612 -0.621) 5.898 15.908 ( 5.656 -2.267 -2.981) 6.784 15.908 ( 5.656 2.267 -2.981) 6.784 15.939 ( 7.574 -0.595 1.046) 7.669 15.939 ( 7.574 0.595 1.046) 7.669 16.367 ( -2.644 -1.696 -0.758) 3.232 16.367 ( -2.644 1.696 -0.758) 3.232 16.458 ( -1.411 -0.672 0.463) 1.630 16.458 ( -1.411 0.672 0.463) 1.630 17.168 ( 1.493 -0.768 0.594) 1.781 17.168 ( 1.493 0.768 0.594) 1.781 17.225 ( 0.239 -1.317 -0.556) 1.449 17.225 ( 0.239 1.317 -0.556) 1.449 19.823 ( 8.759 -0.987 -1.284) 8.908 19.823 ( 8.759 0.987 -1.284) 8.908 20.019 ( 6.974 -0.239 -0.486) 6.995 20.019 ( 6.974 0.239 -0.486) 6.995 20.233 ( -10.554 -2.255 0.463) 10.802 20.233 ( -10.554 2.255 0.463) 10.802 20.578 ( -5.954 -1.922 -0.682) 6.294 20.578 ( -5.954 1.922 -0.682) 6.294 22.024 ( 9.247 -1.880 -0.831) 9.472 22.024 ( 9.247 1.880 -0.831) 9.472 22.075 ( 9.319 -1.799 0.695) 9.516 22.075 ( 9.319 1.799 0.695) 9.516 22.631 ( -8.233 -3.030 -1.008) 8.831 22.631 ( -8.233 3.030 -1.008) 8.831 22.746 ( -8.642 -2.480 1.446) 9.106 22.746 ( -8.642 2.480 1.446) 9.106 27.355 ( 22.510 -5.496 1.810) 23.242 27.355 ( 22.510 5.496 1.810) 23.242 27.504 ( 18.488 -7.773 -3.203) 20.310 27.504 ( 18.488 7.773 -3.203) 20.310 28.500 ( -20.440 -7.720 0.432) 21.853 28.500 ( -20.440 7.720 0.432) 21.853 28.606 ( -21.342 -5.882 -1.373) 22.180 28.606 ( -21.342 5.882 -1.373) 22.180 30.578 ( 6.800 -1.394 1.231) 7.050 30.578 ( 6.800 1.394 1.231) 7.050 30.671 ( 5.821 -2.257 1.348) 6.387 30.671 ( 5.821 2.257 1.348) 6.387 30.917 ( 7.299 -4.594 -1.036) 8.687 30.917 ( 7.299 4.594 -1.036) 8.687 31.053 ( 2.448 -5.655 -0.842) 6.219 31.053 ( 2.448 5.655 -0.842) 6.219 31.391 ( -8.667 -4.113 0.688) 9.618 31.391 ( -8.667 4.113 0.688) 9.618 31.527 ( -8.050 -7.455 -6.570) 12.789 31.527 ( -8.050 7.455 -6.570) 12.789 32.084 ( 3.929 -3.091 0.762) 5.056 32.084 ( 3.929 3.091 0.762) 5.056 32.235 ( 2.323 -5.035 -9.761) 11.226 32.235 ( 2.323 5.035 -9.761) 11.226 32.814 ( 7.772 -0.588 1.882) 8.018 32.814 ( 7.772 0.588 1.882) 8.018 33.067 ( 12.122 -0.207 -0.761) 12.148 33.067 ( 12.122 0.207 -0.761) 12.148 33.292 ( -3.332 -0.024 0.958) 3.467 33.292 ( -3.332 0.024 0.958) 3.467 33.482 ( -8.938 -0.579 -2.210) 9.226 33.482 ( -8.938 0.579 -2.210) 9.226 34.740 ( -1.612 -2.076 -1.043) 2.828 34.740 ( -1.612 2.076 -1.043) 2.828 35.012 ( 0.972 -1.402 2.210) 2.791 35.012 ( 0.972 1.402 2.210) 2.791 35.445 ( 0.886 -4.518 -1.563) 4.862 35.445 ( 0.886 4.518 -1.563) 4.862 35.521 ( 1.137 -3.711 -1.502) 4.162 35.521 ( 1.137 3.711 -1.502) 4.162 35.758 ( 4.924 -2.362 6.614) 8.577 35.758 ( 4.924 2.362 6.614) 8.577 35.951 ( -0.153 -3.526 -0.150) 3.532 35.951 ( -0.153 3.526 -0.150) 3.532 36.971 ( -0.416 -8.234 11.162) 13.876 36.971 ( -0.416 8.234 11.162) 13.876 37.501 ( -13.601 -10.987 -4.876) 18.151 37.501 ( -13.601 10.987 -4.876) 18.151 ======================= Grid point 26 (15/63) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.000 -6.226 0.000) 6.226 1.630 ( 0.000 6.226 0.000) 6.226 1.834 ( 0.000 -4.850 -0.000) 4.850 1.834 ( 0.000 4.850 0.000) 4.850 2.178 ( 0.000 -6.299 0.000) 6.299 2.178 ( 0.000 6.299 0.000) 6.299 2.238 ( 0.000 -4.449 0.000) 4.449 2.238 ( 0.000 4.449 0.000) 4.449 2.465 ( 0.000 -0.733 0.000) 0.733 2.465 ( 0.000 0.733 0.000) 0.733 2.566 ( 0.000 -1.849 0.000) 1.849 2.566 ( 0.000 1.849 0.000) 1.849 2.674 ( 0.000 -1.856 0.000) 1.856 2.674 ( -0.000 1.856 -0.000) 1.856 2.758 ( 0.000 -4.439 -0.000) 4.439 2.758 ( 0.000 4.439 0.000) 4.439 2.880 ( 0.000 -3.378 0.000) 3.378 2.880 ( 0.000 3.378 0.000) 3.378 2.992 ( 0.000 -3.615 0.000) 3.615 2.992 ( 0.000 3.615 0.000) 3.615 3.334 ( 0.000 -1.438 -0.000) 1.438 3.334 ( 0.000 1.438 -0.000) 1.438 3.352 ( -0.000 -6.526 0.000) 6.526 3.352 ( -0.000 6.526 0.000) 6.526 3.546 ( 0.000 -2.783 0.000) 2.783 3.546 ( 0.000 2.783 0.000) 2.783 3.609 ( 0.000 -5.826 0.000) 5.826 3.609 ( 0.000 5.826 0.000) 5.826 3.854 ( 0.000 -4.255 0.000) 4.255 3.854 ( 0.000 4.255 -0.000) 4.255 3.926 ( 0.000 -4.253 0.000) 4.253 3.926 ( 0.000 4.253 -0.000) 4.253 3.975 ( 0.000 -4.976 0.000) 4.976 3.975 ( 0.000 4.976 0.000) 4.976 4.002 ( 0.000 -6.706 0.000) 6.706 4.002 ( 0.000 6.706 0.000) 6.706 4.293 ( 0.000 -5.205 -0.000) 5.205 4.293 ( 0.000 5.205 -0.000) 5.205 4.335 ( 0.000 -2.134 0.000) 2.134 4.335 ( 0.000 2.134 0.000) 2.134 4.444 ( 0.000 -1.349 0.000) 1.349 4.444 ( 0.000 1.349 0.000) 1.349 4.610 ( 0.000 -0.711 0.000) 0.711 4.610 ( 0.000 0.711 0.000) 0.711 4.744 ( 0.000 -1.961 0.000) 1.961 4.744 ( 0.000 1.961 0.000) 1.961 4.861 ( 0.000 -1.470 0.000) 1.470 4.861 ( 0.000 1.470 0.000) 1.470 4.937 ( 0.000 -3.946 0.000) 3.946 4.937 ( 0.000 3.946 0.000) 3.946 5.086 ( 0.000 -0.917 0.000) 0.917 5.086 ( 0.000 0.917 0.000) 0.917 5.200 ( 0.000 -9.518 0.000) 9.518 5.200 ( 0.000 9.518 0.000) 9.518 5.346 ( 0.000 -2.668 0.000) 2.668 5.346 ( 0.000 2.668 0.000) 2.668 5.385 ( 0.000 -0.705 0.000) 0.705 5.385 ( -0.000 0.705 -0.000) 0.705 5.469 ( 0.000 -1.862 0.000) 1.862 5.469 ( 0.000 1.862 0.000) 1.862 5.828 ( 0.000 -1.836 0.000) 1.836 5.828 ( 0.000 1.836 0.000) 1.836 5.974 ( 0.000 -0.901 0.000) 0.901 5.974 ( 0.000 0.901 0.000) 0.901 6.110 ( 0.000 -3.910 0.000) 3.910 6.110 ( 0.000 3.910 0.000) 3.910 6.303 ( 0.000 -2.556 0.000) 2.556 6.303 ( 0.000 2.556 0.000) 2.556 6.489 ( 0.000 -1.361 0.000) 1.361 6.489 ( 0.000 1.361 0.000) 1.361 6.596 ( 0.000 -0.390 0.000) 0.390 6.596 ( 0.000 0.390 0.000) 0.390 6.784 ( 0.000 -4.412 0.000) 4.412 6.784 ( 0.000 4.412 -0.000) 4.412 6.911 ( 0.000 -0.599 0.000) 0.599 6.911 ( 0.000 0.599 0.000) 0.599 7.367 ( 0.000 -5.999 0.000) 5.999 7.367 ( 0.000 5.999 0.000) 5.999 7.659 ( 0.000 -8.145 0.000) 8.145 7.659 ( 0.000 8.145 0.000) 8.145 8.757 ( 0.000 -0.242 0.000) 0.242 8.757 ( 0.000 0.242 0.000) 0.242 8.805 ( 0.000 -3.049 0.000) 3.049 8.805 ( 0.000 3.049 0.000) 3.049 9.050 ( 0.000 -0.016 0.000) 0.016 9.050 ( 0.000 0.016 0.000) 0.016 9.106 ( 0.000 -2.795 0.000) 2.795 9.106 ( 0.000 2.795 0.000) 2.795 9.322 ( 0.000 -0.700 0.000) 0.700 9.322 ( 0.000 0.700 -0.000) 0.700 9.382 ( 0.000 -2.340 0.000) 2.340 9.382 ( 0.000 2.340 0.000) 2.340 9.478 ( 0.000 -1.554 0.000) 1.554 9.478 ( 0.000 1.554 0.000) 1.554 9.613 ( 0.000 -0.691 0.000) 0.691 9.613 ( 0.000 0.691 0.000) 0.691 9.962 ( 0.000 -0.378 0.000) 0.378 9.962 ( 0.000 0.378 0.000) 0.378 10.097 ( 0.000 -3.368 0.000) 3.368 10.097 ( 0.000 3.368 -0.000) 3.368 10.486 ( 0.000 -4.685 0.000) 4.685 10.486 ( 0.000 4.685 0.000) 4.685 10.603 ( 0.000 -2.188 0.000) 2.188 10.603 ( 0.000 2.188 0.000) 2.188 11.596 ( 0.000 -1.944 0.000) 1.944 11.596 ( 0.000 1.944 0.000) 1.944 11.658 ( 0.000 -1.237 0.000) 1.237 11.658 ( 0.000 1.237 0.000) 1.237 11.956 ( 0.000 -1.526 0.000) 1.526 11.956 ( 0.000 1.526 0.000) 1.526 12.068 ( 0.000 -0.870 0.000) 0.870 12.068 ( 0.000 0.870 0.000) 0.870 12.118 ( 0.000 -4.543 -0.000) 4.543 12.118 ( 0.000 4.543 0.000) 4.543 12.242 ( 0.000 -2.749 0.000) 2.749 12.242 ( 0.000 2.749 0.000) 2.749 12.710 ( 0.000 -1.596 0.000) 1.596 12.710 ( 0.000 1.596 0.000) 1.596 12.766 ( 0.000 -1.190 0.000) 1.190 12.766 ( 0.000 1.190 0.000) 1.190 13.551 ( 0.000 -3.601 0.000) 3.601 13.551 ( 0.000 3.601 0.000) 3.601 13.565 ( 0.000 -4.746 -0.000) 4.746 13.565 ( 0.000 4.746 0.000) 4.746 14.158 ( 0.000 -6.139 0.000) 6.139 14.158 ( 0.000 6.139 0.000) 6.139 14.211 ( 0.000 -2.562 0.000) 2.562 14.211 ( 0.000 2.562 0.000) 2.562 14.435 ( 0.000 -0.294 0.000) 0.294 14.435 ( 0.000 0.294 0.000) 0.294 14.549 ( 0.000 -0.562 0.000) 0.562 14.549 ( 0.000 0.562 0.000) 0.562 15.049 ( 0.000 -2.604 0.000) 2.604 15.049 ( 0.000 2.604 0.000) 2.604 15.104 ( 0.000 -3.537 0.000) 3.537 15.104 ( 0.000 3.537 0.000) 3.537 15.477 ( 0.000 -1.395 0.000) 1.395 15.477 ( 0.000 1.395 0.000) 1.395 15.533 ( 0.000 -2.400 0.000) 2.400 15.533 ( 0.000 2.400 0.000) 2.400 15.952 ( 0.000 -0.976 0.000) 0.976 15.952 ( 0.000 0.976 0.000) 0.976 16.012 ( 0.000 -0.930 0.000) 0.930 16.012 ( 0.000 0.930 0.000) 0.930 16.336 ( 0.000 -0.420 0.000) 0.420 16.336 ( 0.000 0.420 0.000) 0.420 16.438 ( 0.000 -1.181 0.000) 1.181 16.438 ( 0.000 1.181 0.000) 1.181 17.198 ( 0.000 -1.661 0.000) 1.661 17.198 ( 0.000 1.661 0.000) 1.661 17.212 ( 0.000 -0.078 0.000) 0.078 17.212 ( -0.000 0.078 -0.000) 0.078 19.935 ( 0.000 -0.279 0.000) 0.279 19.935 ( 0.000 0.279 0.000) 0.279 20.074 ( 0.000 -0.973 0.000) 0.973 20.074 ( 0.000 0.973 -0.000) 0.973 20.117 ( 0.000 -1.580 0.000) 1.580 20.117 ( 0.000 1.580 0.000) 1.580 20.511 ( 0.000 -1.881 0.000) 1.881 20.511 ( 0.000 1.881 0.000) 1.881 22.125 ( 0.000 -3.930 0.000) 3.930 22.125 ( 0.000 3.930 0.000) 3.930 22.163 ( 0.000 -3.725 0.000) 3.725 22.163 ( -0.000 3.725 0.000) 3.725 22.535 ( 0.000 -2.492 0.000) 2.492 22.535 ( 0.000 2.492 0.000) 2.492 22.670 ( 0.000 -1.642 0.000) 1.642 22.670 ( 0.000 1.642 0.000) 1.642 27.600 ( 0.000 -8.237 0.000) 8.237 27.600 ( 0.000 8.237 0.000) 8.237 27.708 ( 0.000 -10.883 0.000) 10.883 27.708 ( 0.000 10.883 0.000) 10.883 28.272 ( 0.000 -7.507 0.000) 7.507 28.272 ( 0.000 7.507 0.000) 7.507 28.365 ( 0.000 -8.425 0.000) 8.425 28.365 ( 0.000 8.425 -0.000) 8.425 30.651 ( 0.000 -1.980 0.000) 1.980 30.651 ( 0.000 1.980 0.000) 1.980 30.741 ( 0.000 -0.558 0.000) 0.558 30.741 ( 0.000 0.558 -0.000) 0.558 30.961 ( 0.000 -1.676 0.000) 1.676 30.961 ( 0.000 1.676 0.000) 1.676 31.105 ( 0.000 -2.139 0.000) 2.139 31.105 ( 0.000 2.139 0.000) 2.139 31.279 ( 0.000 -1.668 0.000) 1.668 31.279 ( -0.000 1.668 0.000) 1.668 31.417 ( 0.000 -3.243 0.000) 3.243 31.417 ( 0.000 3.243 0.000) 3.243 32.135 ( 0.000 -4.486 0.000) 4.486 32.135 ( 0.000 4.486 0.000) 4.486 32.191 ( 0.000 -8.995 -0.000) 8.995 32.191 ( 0.000 8.995 0.000) 8.995 32.906 ( 0.000 -1.095 0.000) 1.095 32.906 ( 0.000 1.095 0.000) 1.095 33.204 ( 0.000 -1.021 0.000) 1.021 33.204 ( 0.000 1.021 0.000) 1.021 33.261 ( 0.000 -1.064 0.000) 1.064 33.261 ( 0.000 1.064 0.000) 1.064 33.355 ( 0.000 -0.219 0.000) 0.219 33.355 ( 0.000 0.219 -0.000) 0.219 34.717 ( 0.000 -1.954 0.000) 1.954 34.717 ( 0.000 1.954 0.000) 1.954 35.036 ( 0.000 -1.746 0.000) 1.746 35.036 ( 0.000 1.746 0.000) 1.746 35.438 ( 0.000 -5.725 -0.000) 5.725 35.438 ( 0.000 5.725 0.000) 5.725 35.523 ( 0.000 -3.159 0.000) 3.159 35.523 ( 0.000 3.159 0.000) 3.159 35.857 ( 0.000 -2.740 0.000) 2.740 35.857 ( 0.000 2.740 0.000) 2.740 35.949 ( 0.000 -3.606 0.000) 3.606 35.949 ( 0.000 3.606 0.000) 3.606 37.022 ( 0.000 -3.495 0.000) 3.495 37.022 ( 0.000 3.495 0.000) 3.495 37.346 ( 0.000 -7.800 0.000) 7.800 37.346 ( 0.000 7.800 0.000) 7.800 ======================= Grid point 45 (16/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 0.475 0.000 20.352) 20.357 0.514 ( -1.044 0.000 26.911) 26.931 0.971 ( 0.326 0.000 47.692) 47.693 1.436 ( 2.015 0.000 -7.870) 8.124 1.798 ( 2.724 0.000 16.228) 16.455 2.018 ( -0.018 0.000 -1.112) 1.112 2.069 ( -8.617 0.000 -1.238) 8.706 2.178 ( -1.657 0.000 2.529) 3.024 2.226 ( -0.060 0.000 8.104) 8.104 2.256 ( -3.282 0.000 10.123) 10.642 2.505 ( 7.496 0.000 -3.248) 8.170 2.509 ( -7.064 0.000 1.872) 7.308 2.634 ( -2.730 0.000 7.886) 8.345 2.657 ( 9.167 0.000 -5.973) 10.941 2.678 ( 1.389 0.000 -0.018) 1.389 2.747 ( 0.563 0.000 -4.904) 4.936 2.814 ( -1.754 0.000 -1.131) 2.087 2.845 ( 1.183 0.000 0.677) 1.363 2.875 ( -3.002 0.000 -8.065) 8.605 3.044 ( 0.462 0.000 -2.695) 2.734 3.163 ( 2.241 0.000 -0.157) 2.246 3.163 ( -2.299 0.000 -5.139) 5.629 3.224 ( -2.832 0.000 5.336) 6.041 3.228 ( 0.274 0.000 -6.836) 6.841 3.320 ( -0.165 0.000 3.660) 3.664 3.382 ( -2.163 0.000 -2.537) 3.333 3.462 ( 10.729 0.000 -3.401) 11.255 3.509 ( -1.193 0.000 -0.407) 1.261 3.531 ( -2.082 0.000 8.999) 9.237 3.612 ( 1.038 0.000 -3.130) 3.298 3.684 ( 1.213 0.000 2.572) 2.844 3.788 ( -1.147 0.000 -2.075) 2.371 3.838 ( -3.479 0.000 4.205) 5.458 4.003 ( -5.153 0.000 -0.107) 5.154 4.046 ( 6.634 0.000 7.351) 9.902 4.195 ( -0.355 0.000 0.796) 0.871 4.209 ( -0.388 0.000 -1.418) 1.470 4.251 ( 1.236 0.000 -0.634) 1.389 4.329 ( -6.711 0.000 -3.747) 7.686 4.421 ( 2.944 0.000 -6.812) 7.421 4.503 ( 5.590 0.000 -8.039) 9.792 4.584 ( -1.305 0.000 1.819) 2.239 4.688 ( -0.372 0.000 -10.392) 10.399 4.758 ( 5.088 0.000 0.893) 5.166 4.788 ( -1.142 0.000 -10.525) 10.587 4.822 ( -0.247 0.000 -8.299) 8.303 4.828 ( 0.192 0.000 -2.357) 2.365 4.855 ( 2.597 0.000 0.992) 2.780 4.932 ( -0.664 0.000 2.459) 2.547 5.031 ( -2.399 0.000 -2.878) 3.747 5.085 ( -6.504 0.000 3.014) 7.168 5.135 ( -1.446 0.000 -1.059) 1.793 5.185 ( 1.208 0.000 0.790) 1.443 5.225 ( 1.389 0.000 -5.129) 5.314 5.227 ( 1.927 0.000 4.037) 4.473 5.446 ( 3.260 0.000 2.828) 4.316 5.487 ( -0.787 0.000 0.485) 0.924 5.499 ( -1.200 0.000 -0.641) 1.360 5.698 ( 0.435 0.000 -1.305) 1.375 5.744 ( 2.769 0.000 3.930) 4.808 5.775 ( 0.274 0.000 -3.899) 3.908 5.833 ( -1.372 0.000 6.198) 6.348 5.902 ( 0.183 0.000 3.147) 3.152 6.078 ( -4.851 0.000 -0.967) 4.947 6.118 ( -0.114 0.000 -4.117) 4.118 6.144 ( -3.004 0.000 5.804) 6.535 6.312 ( -1.198 0.000 -4.671) 4.822 6.340 ( 1.301 0.000 1.151) 1.737 6.502 ( 1.500 0.000 1.917) 2.434 6.531 ( 4.057 0.000 0.013) 4.057 6.617 ( 2.015 0.000 2.406) 3.138 6.627 ( 3.451 0.000 4.102) 5.361 6.751 ( -1.956 0.000 0.803) 2.115 6.823 ( 2.039 0.000 0.868) 2.216 7.103 ( -3.058 0.000 3.403) 4.576 7.626 ( 9.152 0.000 -6.718) 11.353 8.107 ( -1.012 0.000 2.146) 2.373 8.277 ( 1.060 0.000 -2.181) 2.426 8.455 ( 2.210 0.000 0.360) 2.239 8.458 ( -11.005 0.000 0.800) 11.034 8.545 ( 3.752 0.000 0.464) 3.781 8.671 ( -4.176 0.000 -2.181) 4.711 8.747 ( -2.220 0.000 1.757) 2.831 8.836 ( 1.210 0.000 -1.195) 1.700 8.899 ( -2.155 0.000 0.577) 2.231 8.938 ( 0.041 0.000 -1.146) 1.147 9.025 ( -2.174 0.000 -1.401) 2.586 9.040 ( 1.627 0.000 -0.539) 1.714 9.123 ( -0.087 0.000 -1.068) 1.072 9.152 ( -1.456 0.000 1.355) 1.989 9.219 ( 0.991 0.000 -0.404) 1.070 9.392 ( 0.666 0.000 -2.022) 2.129 9.676 ( -1.929 0.000 3.751) 4.218 9.890 ( 1.888 0.000 0.087) 1.890 9.993 ( 0.676 0.000 0.106) 0.685 10.050 ( -2.134 0.000 1.221) 2.459 10.159 ( 3.864 0.000 -0.593) 3.909 10.221 ( 0.319 0.000 -5.770) 5.779 10.406 ( -0.929 0.000 -0.462) 1.038 10.428 ( -1.022 0.000 -0.821) 1.311 10.515 ( -1.979 0.000 1.159) 2.293 10.622 ( -0.227 0.000 -2.943) 2.951 10.735 ( 0.489 0.000 1.889) 1.951 10.834 ( -0.801 0.000 -0.989) 1.273 11.092 ( -0.583 0.000 0.078) 0.588 11.100 ( 3.544 0.000 -0.063) 3.545 11.388 ( 0.180 0.000 0.591) 0.618 11.432 ( -0.514 0.000 -0.417) 0.662 11.891 ( -2.849 0.000 1.287) 3.126 11.990 ( 4.039 0.000 -1.211) 4.217 12.041 ( -4.183 0.000 1.496) 4.443 12.068 ( -0.843 0.000 1.531) 1.747 12.138 ( -0.146 0.000 0.142) 0.204 12.139 ( -0.366 0.000 -1.310) 1.360 12.187 ( 2.471 0.000 -0.841) 2.611 12.282 ( 1.554 0.000 -0.909) 1.801 12.498 ( -0.482 0.000 -0.101) 0.493 12.535 ( -0.586 0.000 -0.665) 0.887 12.801 ( 0.641 0.000 1.012) 1.198 12.855 ( -0.382 0.000 -0.242) 0.452 13.195 ( -0.664 0.000 0.752) 1.003 13.265 ( -1.585 0.000 0.714) 1.738 13.270 ( 1.855 0.000 -1.318) 2.275 13.299 ( -1.834 0.000 0.009) 1.834 14.007 ( 0.476 0.000 0.508) 0.696 14.042 ( -0.188 0.000 -0.395) 0.437 14.225 ( -0.878 0.000 -0.075) 0.881 14.250 ( 1.082 0.000 -0.534) 1.207 14.338 ( -2.382 0.000 1.030) 2.595 14.425 ( 0.371 0.000 -0.947) 1.017 14.545 ( 0.892 0.000 1.441) 1.695 14.638 ( 16.234 0.000 -1.218) 16.280 14.702 ( 0.320 0.000 1.204) 1.246 14.733 ( -0.183 0.000 -0.180) 0.257 14.928 ( -1.297 0.000 -0.427) 1.366 14.997 ( 4.497 0.000 1.943) 4.899 15.006 ( -0.523 0.000 -2.903) 2.950 15.094 ( -2.603 0.000 0.334) 2.624 15.560 ( -0.045 0.000 1.306) 1.307 15.631 ( -3.908 0.000 -1.261) 4.106 15.672 ( -0.907 0.000 0.765) 1.186 15.675 ( 1.957 0.000 0.769) 2.102 15.781 ( 0.681 0.000 3.261) 3.331 16.091 ( 1.788 0.000 -3.175) 3.644 16.257 ( 1.322 0.000 1.595) 2.071 16.301 ( 0.238 0.000 0.471) 0.527 16.315 ( -4.845 0.000 -1.647) 5.117 16.392 ( -1.367 0.000 0.282) 1.396 17.121 ( -0.064 0.000 0.009) 0.065 17.136 ( 0.614 0.000 -0.311) 0.688 17.160 ( -0.636 0.000 1.613) 1.734 17.215 ( 0.669 0.000 0.202) 0.699 19.602 ( -2.843 0.000 -0.324) 2.862 19.674 ( 0.797 0.000 -2.646) 2.763 19.850 ( 0.313 0.000 1.084) 1.128 19.860 ( -0.654 0.000 1.146) 1.319 20.568 ( -1.566 0.000 0.893) 1.802 20.603 ( 1.159 0.000 0.417) 1.232 20.788 ( 0.317 0.000 -0.471) 0.568 20.817 ( 1.235 0.000 -0.598) 1.372 21.550 ( 1.029 0.000 1.509) 1.827 21.671 ( 1.535 0.000 -1.886) 2.431 21.752 ( 0.103 0.000 0.798) 0.805 21.758 ( -0.730 0.000 0.129) 0.741 22.969 ( -7.153 0.000 -2.256) 7.501 22.983 ( 2.483 0.000 -3.681) 4.440 23.182 ( -1.961 0.000 2.455) 3.142 23.190 ( -0.154 0.000 1.454) 1.462 26.542 ( 0.845 0.000 -0.543) 1.004 26.546 ( -0.699 0.000 -0.808) 1.068 26.585 ( 0.939 0.000 0.868) 1.279 26.594 ( 1.110 0.000 0.494) 1.215 29.384 ( 0.328 0.000 1.225) 1.269 29.418 ( -3.041 0.000 2.478) 3.923 29.502 ( 16.294 0.000 -1.230) 16.341 29.549 ( -11.992 0.000 1.443) 12.078 29.679 ( 3.284 0.000 -2.544) 4.154 29.713 ( -3.775 0.000 -3.718) 5.299 30.203 ( -0.213 0.000 11.039) 11.041 30.536 ( 1.087 0.000 1.088) 1.538 30.556 ( -0.266 0.000 0.816) 0.858 30.612 ( -0.115 0.000 -1.245) 1.250 30.746 ( -0.892 0.000 0.620) 1.086 30.981 ( -3.029 0.000 -1.793) 3.520 31.487 ( -0.578 0.000 -0.072) 0.582 31.487 ( 0.177 0.000 -0.117) 0.212 31.769 ( 1.635 0.000 3.896) 4.225 32.067 ( 6.297 0.000 0.217) 6.301 32.095 ( -2.954 0.000 0.138) 2.957 32.130 ( -5.969 0.000 1.625) 6.186 32.189 ( 10.067 0.000 -1.381) 10.161 32.250 ( -5.381 0.000 -0.599) 5.415 32.304 ( 1.508 0.000 0.994) 1.806 32.322 ( -11.507 0.000 -2.044) 11.687 32.373 ( 10.084 0.000 0.214) 10.086 33.231 ( -2.162 0.000 -14.398) 14.560 33.378 ( 0.070 0.000 3.044) 3.045 33.662 ( -1.626 0.000 -32.988) 33.028 33.802 ( 0.148 0.000 -5.846) 5.848 33.883 ( -0.174 0.000 -4.722) 4.725 34.792 ( -2.205 0.000 1.724) 2.799 34.831 ( 4.711 0.000 4.680) 6.641 34.873 ( 6.228 0.000 -0.713) 6.268 34.878 ( -1.672 0.000 3.871) 4.217 35.279 ( 1.507 0.000 -1.499) 2.126 35.323 ( 1.405 0.000 -1.202) 1.849 35.384 ( 1.124 0.000 2.785) 3.004 35.441 ( 1.488 0.000 -0.502) 1.570 35.463 ( 0.081 0.000 6.035) 6.035 35.604 ( -0.566 0.000 3.097) 3.148 35.909 ( 3.090 0.000 -1.497) 3.434 35.992 ( -0.381 0.000 -3.651) 3.670 36.217 ( -2.252 0.000 34.771) 34.844 37.719 ( 0.053 0.000 -10.336) 10.336 38.352 ( -5.726 0.000 1.990) 6.062 38.533 ( 0.622 0.000 -2.196) 2.282 ======================= Grid point 46 (17/63) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 24.863 0.000 18.523) 31.004 0.984 ( 14.592 0.000 22.174) 26.545 1.534 ( 20.308 0.000 -8.339) 21.954 1.671 ( 15.172 0.000 35.284) 38.407 1.822 ( -10.266 0.000 2.025) 10.463 1.879 ( 6.093 0.000 -15.602) 16.750 2.130 ( -5.520 0.000 -2.697) 6.144 2.172 ( 1.328 0.000 17.288) 17.339 2.300 ( 1.499 0.000 -3.484) 3.793 2.392 ( 0.687 0.000 18.656) 18.669 2.405 ( -1.942 0.000 -1.770) 2.627 2.553 ( 0.826 0.000 -1.695) 1.885 2.579 ( 3.151 0.000 1.992) 3.728 2.642 ( -11.399 0.000 -2.815) 11.742 2.665 ( -2.961 0.000 4.705) 5.559 2.719 ( 0.322 0.000 7.804) 7.811 2.849 ( 6.427 0.000 -0.933) 6.495 2.894 ( -7.605 0.000 -3.044) 8.192 2.951 ( 7.606 0.000 -2.641) 8.051 3.029 ( 11.986 0.000 -2.830) 12.316 3.148 ( 12.064 0.000 -6.498) 13.702 3.202 ( 1.437 0.000 -1.536) 2.104 3.203 ( 2.368 0.000 0.186) 2.376 3.221 ( -5.217 0.000 -10.625) 11.837 3.268 ( -2.593 0.000 11.744) 12.027 3.370 ( 1.456 0.000 -0.884) 1.703 3.417 ( -9.040 0.000 -10.022) 13.497 3.540 ( 2.597 0.000 -4.772) 5.433 3.573 ( -0.537 0.000 6.551) 6.573 3.668 ( 11.515 0.000 0.088) 11.515 3.771 ( 1.032 0.000 -2.620) 2.816 3.829 ( -0.128 0.000 1.379) 1.385 3.857 ( 5.766 0.000 -5.157) 7.736 3.896 ( -4.029 0.000 7.174) 8.228 4.156 ( 0.184 0.000 1.569) 1.579 4.193 ( -0.682 0.000 1.156) 1.342 4.214 ( 0.803 0.000 -0.716) 1.076 4.262 ( 4.127 0.000 -5.716) 7.050 4.321 ( 5.333 0.000 8.937) 10.407 4.353 ( 0.185 0.000 -7.834) 7.836 4.479 ( 2.790 0.000 -4.767) 5.523 4.534 ( -2.711 0.000 -6.737) 7.262 4.586 ( -1.861 0.000 -9.971) 10.143 4.637 ( 2.178 0.000 -0.836) 2.333 4.679 ( -2.598 0.000 -5.414) 6.006 4.798 ( -4.271 0.000 0.200) 4.276 4.806 ( -1.260 0.000 2.626) 2.913 4.847 ( -3.314 0.000 -0.630) 3.374 4.942 ( -1.842 0.000 0.869) 2.037 4.979 ( 3.768 0.000 -6.018) 7.100 5.111 ( -1.507 0.000 -2.350) 2.792 5.160 ( -0.087 0.000 -2.363) 2.364 5.204 ( 6.661 0.000 -1.030) 6.740 5.229 ( 2.806 0.000 6.394) 6.983 5.298 ( 0.057 0.000 4.365) 4.365 5.397 ( -3.939 0.000 -3.092) 5.007 5.487 ( 1.545 0.000 -1.597) 2.222 5.561 ( 2.869 0.000 1.134) 3.085 5.629 ( -4.476 0.000 -2.415) 5.086 5.745 ( 1.181 0.000 -2.244) 2.536 5.856 ( 1.230 0.000 4.414) 4.582 5.933 ( 1.784 0.000 7.362) 7.575 5.962 ( 0.747 0.000 1.848) 1.993 5.983 ( -2.963 0.000 -7.123) 7.715 5.994 ( -1.744 0.000 1.331) 2.194 6.135 ( -3.097 0.000 1.794) 3.579 6.292 ( -0.734 0.000 0.003) 0.734 6.307 ( -5.963 0.000 2.135) 6.333 6.538 ( -0.559 0.000 2.015) 2.092 6.569 ( -9.716 0.000 2.753) 10.098 6.627 ( 6.073 0.000 -1.308) 6.212 6.695 ( 0.684 0.000 1.375) 1.536 6.726 ( -1.506 0.000 -0.404) 1.559 6.818 ( -2.794 0.000 -0.405) 2.824 7.068 ( -6.859 0.000 3.347) 7.632 7.298 ( -20.897 0.000 5.144) 21.521 7.969 ( -12.029 0.000 0.671) 12.047 8.061 ( -18.069 0.000 -2.692) 18.269 8.233 ( -15.459 0.000 0.733) 15.476 8.378 ( -10.546 0.000 1.620) 10.670 8.638 ( 2.736 0.000 -4.311) 5.105 8.690 ( 6.025 0.000 3.878) 7.165 8.796 ( 3.390 0.000 0.308) 3.404 8.836 ( -2.529 0.000 1.230) 2.812 8.948 ( 1.300 0.000 -0.379) 1.354 8.954 ( 8.096 0.000 -0.680) 8.125 9.033 ( 4.418 0.000 -1.326) 4.613 9.083 ( 3.105 0.000 -0.128) 3.108 9.133 ( 2.464 0.000 -1.260) 2.767 9.154 ( 0.279 0.000 1.854) 1.875 9.243 ( 1.817 0.000 0.664) 1.934 9.364 ( -0.403 0.000 -2.425) 2.458 9.704 ( -0.010 0.000 3.715) 3.715 9.887 ( -3.875 0.000 0.395) 3.895 9.953 ( -9.333 0.000 0.478) 9.345 9.971 ( -5.154 0.000 2.289) 5.640 10.094 ( -8.513 0.000 -0.682) 8.541 10.110 ( -2.783 0.000 -7.052) 7.581 10.326 ( -7.327 0.000 0.492) 7.343 10.340 ( -6.278 0.000 -1.090) 6.372 10.536 ( 0.477 0.000 0.699) 0.847 10.545 ( -4.541 0.000 -1.930) 4.934 10.748 ( -1.519 0.000 2.014) 2.523 10.773 ( -3.287 0.000 -1.371) 3.561 11.210 ( 12.010 0.000 -0.327) 12.014 11.270 ( 13.201 0.000 -1.251) 13.260 11.428 ( 3.480 0.000 0.761) 3.563 11.439 ( 2.211 0.000 -0.610) 2.294 11.885 ( 1.085 0.000 1.168) 1.594 11.983 ( -2.276 0.000 0.559) 2.344 12.025 ( -5.066 0.000 1.982) 5.440 12.085 ( 2.143 0.000 -1.336) 2.525 12.088 ( 0.338 0.000 1.148) 1.197 12.120 ( -1.283 0.000 0.464) 1.364 12.257 ( 4.392 0.000 -1.225) 4.560 12.261 ( -1.751 0.000 -2.348) 2.929 12.531 ( 3.451 0.000 0.703) 3.522 12.561 ( 4.316 0.000 -0.944) 4.418 12.834 ( 1.412 0.000 0.946) 1.699 12.843 ( -0.260 0.000 -0.633) 0.684 13.209 ( 1.212 0.000 0.646) 1.373 13.275 ( 0.891 0.000 -0.885) 1.256 13.437 ( 15.985 0.000 1.572) 16.062 13.564 ( 22.090 0.000 -7.585) 23.356 13.929 ( -10.415 0.000 -0.110) 10.416 13.932 ( -9.647 0.000 0.099) 9.647 14.200 ( -0.679 0.000 0.603) 0.908 14.245 ( -0.204 0.000 -0.417) 0.464 14.262 ( -4.921 0.000 1.164) 5.057 14.349 ( -5.514 0.000 -1.000) 5.604 14.678 ( 7.006 0.000 -0.704) 7.041 14.689 ( -1.623 0.000 1.228) 2.035 14.769 ( 5.108 0.000 0.017) 5.108 14.892 ( 15.574 0.000 -3.895) 16.054 15.069 ( 12.999 0.000 0.099) 13.000 15.079 ( 10.610 0.000 -1.863) 10.773 15.142 ( 9.414 0.000 -1.126) 9.481 15.251 ( 15.088 0.000 -4.054) 15.623 15.549 ( -5.733 0.000 1.565) 5.943 15.563 ( -2.795 0.000 -0.538) 2.846 15.631 ( 0.901 0.000 0.267) 0.940 15.670 ( 1.326 0.000 -2.315) 2.668 15.825 ( -1.391 0.000 4.575) 4.782 16.033 ( -2.791 0.000 -5.750) 6.391 16.334 ( 5.168 0.000 -1.849) 5.489 16.341 ( 1.712 0.000 2.322) 2.885 16.359 ( 6.153 0.000 1.970) 6.461 16.416 ( 5.291 0.000 -3.928) 6.589 17.118 ( -0.097 0.000 -0.156) 0.184 17.142 ( 0.556 0.000 -0.338) 0.651 17.170 ( -0.224 0.000 1.333) 1.351 17.231 ( 0.927 0.000 0.002) 0.927 19.591 ( 1.416 0.000 1.076) 1.779 19.691 ( 4.449 0.000 -2.802) 5.258 19.859 ( -0.215 0.000 0.774) 0.804 19.866 ( 0.847 0.000 0.937) 1.263 20.495 ( -7.259 0.000 0.618) 7.285 20.582 ( -4.901 0.000 1.294) 5.069 20.734 ( -4.035 0.000 -1.715) 4.384 20.801 ( -2.531 0.000 -0.253) 2.543 21.653 ( 7.783 0.000 1.259) 7.884 21.710 ( 5.455 0.000 -1.969) 5.799 21.792 ( 4.633 0.000 0.292) 4.643 21.793 ( 5.055 0.000 1.334) 5.228 22.842 ( -6.720 0.000 -0.773) 6.764 22.944 ( -2.553 0.000 -1.907) 3.187 23.101 ( -9.874 0.000 2.251) 10.127 23.153 ( -5.812 0.000 1.204) 5.936 26.635 ( 10.140 0.000 0.257) 10.143 26.648 ( 12.758 0.000 -0.558) 12.771 26.751 ( 16.370 0.000 1.979) 16.489 26.982 ( 34.787 0.000 -17.016) 38.726 29.092 ( -23.710 0.000 0.099) 23.711 29.113 ( -22.641 0.000 -0.175) 22.642 29.396 ( -12.266 0.000 2.677) 12.555 29.498 ( -16.143 0.000 -1.694) 16.232 29.880 ( 20.614 0.000 0.874) 20.632 29.925 ( 19.520 0.000 -1.426) 19.572 30.443 ( 8.359 0.000 7.906) 11.505 30.589 ( 4.238 0.000 -2.168) 4.760 30.591 ( 3.529 0.000 1.546) 3.852 30.620 ( 2.591 0.000 -0.790) 2.708 30.803 ( 6.095 0.000 1.302) 6.233 31.033 ( 8.712 0.000 -6.750) 11.021 31.464 ( -1.869 0.000 -0.719) 2.002 31.508 ( -0.134 0.000 1.682) 1.687 31.822 ( -5.177 0.000 4.085) 6.595 31.932 ( -9.864 0.000 -1.402) 9.964 31.947 ( -7.679 0.000 1.785) 7.883 32.066 ( -8.809 0.000 1.553) 8.945 32.154 ( -1.967 0.000 0.520) 2.034 32.352 ( 14.673 0.000 2.043) 14.815 32.440 ( 10.491 0.000 0.356) 10.497 32.462 ( 13.482 0.000 -6.261) 14.865 32.586 ( 13.957 0.000 -0.424) 13.964 32.824 ( -1.114 0.000 -31.345) 31.365 33.396 ( -2.552 0.000 3.378) 4.234 33.429 ( -2.658 0.000 -3.516) 4.407 33.708 ( -3.513 0.000 -3.625) 5.048 33.780 ( -4.350 0.000 -5.338) 6.886 34.762 ( -2.820 0.000 0.488) 2.862 34.874 ( -2.592 0.000 1.118) 2.823 34.925 ( 2.862 0.000 0.267) 2.874 34.960 ( 2.872 0.000 3.322) 4.391 35.282 ( 2.135 0.000 -3.365) 3.985 35.354 ( 3.370 0.000 -0.670) 3.436 35.456 ( 4.088 0.000 0.903) 4.187 35.481 ( 4.723 0.000 -2.425) 5.309 35.570 ( 2.038 0.000 8.245) 8.493 35.663 ( 0.294 0.000 6.934) 6.941 35.885 ( 1.359 0.000 -6.416) 6.558 35.937 ( 1.897 0.000 -6.755) 7.016 36.628 ( -1.343 0.000 32.390) 32.418 37.501 ( -6.090 0.000 -15.647) 16.790 38.020 ( -32.206 0.000 18.700) 37.242 38.397 ( -12.331 0.000 -3.776) 12.896 ======================= Grid point 47 (18/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 6.036 0.000 11.101) 12.636 1.532 ( 10.678 0.000 19.521) 22.251 1.769 ( 10.572 0.000 -15.284) 18.584 1.822 ( 20.006 0.000 -10.348) 22.524 1.865 ( 11.235 0.000 8.191) 13.904 2.041 ( 5.985 0.000 -1.006) 6.069 2.175 ( 0.609 0.000 -14.132) 14.145 2.334 ( -10.148 0.000 -1.936) 10.331 2.342 ( 15.055 0.000 15.076) 21.306 2.383 ( 6.369 0.000 10.967) 12.683 2.463 ( -1.758 0.000 -3.138) 3.597 2.535 ( -4.935 0.000 5.338) 7.270 2.549 ( 1.365 0.000 1.942) 2.374 2.729 ( -2.496 0.000 8.351) 8.716 2.781 ( 4.917 0.000 7.630) 9.077 2.812 ( 0.006 0.000 1.087) 1.087 2.830 ( 0.021 0.000 1.547) 1.547 2.866 ( -10.114 0.000 -12.218) 15.861 2.990 ( 3.896 0.000 4.295) 5.799 2.995 ( -1.224 0.000 -12.313) 12.373 3.044 ( 4.379 0.000 -7.965) 9.090 3.063 ( 6.184 0.000 9.440) 11.285 3.289 ( 5.843 0.000 2.746) 6.456 3.310 ( 2.357 0.000 1.592) 2.844 3.383 ( 7.886 0.000 -5.145) 9.416 3.418 ( 0.358 0.000 14.382) 14.386 3.496 ( 0.863 0.000 -5.641) 5.707 3.521 ( 15.077 0.000 3.102) 15.392 3.637 ( -6.418 0.000 -8.368) 10.546 3.667 ( 2.919 0.000 2.300) 3.716 3.759 ( -1.483 0.000 1.166) 1.886 3.862 ( 1.782 0.000 2.024) 2.697 3.865 ( 10.377 0.000 -7.177) 12.617 3.998 ( 0.309 0.000 0.633) 0.705 4.134 ( -0.913 0.000 -8.266) 8.316 4.194 ( -2.683 0.000 2.930) 3.973 4.232 ( 2.677 0.000 4.968) 5.644 4.277 ( 1.205 0.000 -5.262) 5.398 4.303 ( 0.108 0.000 2.844) 2.847 4.421 ( -1.040 0.000 -4.750) 4.862 4.452 ( -3.595 0.000 -2.991) 4.676 4.470 ( 0.976 0.000 -1.703) 1.963 4.546 ( 4.593 0.000 -0.509) 4.621 4.593 ( 0.803 0.000 -0.404) 0.899 4.712 ( 6.710 0.000 -0.710) 6.747 4.773 ( -2.094 0.000 4.149) 4.647 4.777 ( -1.132 0.000 4.222) 4.371 4.831 ( -2.634 0.000 1.690) 3.129 4.921 ( -1.031 0.000 0.736) 1.267 4.964 ( -0.991 0.000 -5.425) 5.514 5.000 ( -0.083 0.000 -4.266) 4.267 5.136 ( 1.322 0.000 -0.766) 1.528 5.252 ( -3.776 0.000 -1.635) 4.114 5.277 ( -8.198 0.000 4.069) 9.152 5.310 ( -4.544 0.000 3.662) 5.836 5.355 ( 6.784 0.000 -3.190) 7.497 5.516 ( -0.106 0.000 1.994) 1.996 5.552 ( -1.761 0.000 -3.196) 3.649 5.555 ( 2.687 0.000 -3.604) 4.495 5.705 ( -4.637 0.000 -3.522) 5.823 5.885 ( -0.645 0.000 2.176) 2.269 5.898 ( 4.048 0.000 -1.530) 4.327 6.028 ( 0.946 0.000 3.874) 3.988 6.029 ( 3.643 0.000 -1.758) 4.045 6.057 ( -1.342 0.000 5.677) 5.833 6.093 ( -2.257 0.000 0.237) 2.270 6.208 ( -5.345 0.000 1.755) 5.626 6.222 ( -5.609 0.000 -2.777) 6.259 6.460 ( -2.636 0.000 0.965) 2.807 6.542 ( -1.426 0.000 2.707) 3.060 6.638 ( -2.098 0.000 -3.129) 3.767 6.702 ( -0.692 0.000 -0.427) 0.813 6.734 ( 4.902 0.000 -1.445) 5.111 6.758 ( -2.196 0.000 -0.818) 2.343 6.942 ( -6.613 0.000 -1.798) 6.854 7.119 ( -8.874 0.000 3.556) 9.560 7.703 ( -18.904 0.000 -1.804) 18.990 7.743 ( -14.010 0.000 -0.069) 14.011 7.944 ( -17.595 0.000 -0.449) 17.601 8.186 ( -13.234 0.000 1.571) 13.327 8.643 ( 3.496 0.000 -3.252) 4.774 8.767 ( -1.437 0.000 2.096) 2.541 8.806 ( -3.119 0.000 2.417) 3.946 8.857 ( 2.646 0.000 0.677) 2.731 8.977 ( 1.673 0.000 1.017) 1.958 9.078 ( 5.160 0.000 0.574) 5.192 9.095 ( 1.915 0.000 0.476) 1.973 9.101 ( -0.108 0.000 -2.394) 2.396 9.191 ( 5.856 0.000 -0.275) 5.862 9.221 ( 5.879 0.000 1.218) 6.004 9.309 ( 4.808 0.000 0.091) 4.809 9.332 ( -0.154 0.000 -1.116) 1.126 9.714 ( -3.726 0.000 0.106) 3.727 9.735 ( -13.179 0.000 1.079) 13.223 9.785 ( -9.106 0.000 -1.344) 9.204 9.898 ( -9.261 0.000 1.336) 9.357 9.923 ( -6.865 0.000 4.062) 7.977 9.994 ( -0.612 0.000 -6.244) 6.274 10.188 ( -7.853 0.000 -2.343) 8.195 10.258 ( -3.508 0.000 3.066) 4.659 10.450 ( -4.199 0.000 -0.298) 4.210 10.538 ( -0.787 0.000 0.302) 0.843 10.706 ( -2.771 0.000 -0.732) 2.866 10.714 ( -4.489 0.000 0.586) 4.527 11.432 ( 12.647 0.000 0.077) 12.647 11.481 ( 8.822 0.000 -0.949) 8.873 11.495 ( 7.123 0.000 0.240) 7.127 11.521 ( 5.519 0.000 0.815) 5.579 11.936 ( 2.657 0.000 0.768) 2.766 11.949 ( -2.753 0.000 -0.019) 2.754 11.984 ( -2.419 0.000 2.734) 3.651 12.027 ( -3.128 0.000 -0.230) 3.136 12.105 ( -1.324 0.000 0.586) 1.448 12.184 ( 4.095 0.000 0.629) 4.143 12.233 ( 3.785 0.000 -1.843) 4.210 12.278 ( 0.803 0.000 -2.296) 2.433 12.612 ( 3.893 0.000 1.369) 4.126 12.634 ( 4.237 0.000 -0.464) 4.262 12.831 ( -0.236 0.000 -0.536) 0.585 12.854 ( -0.340 0.000 0.085) 0.350 13.250 ( 2.691 0.000 0.469) 2.732 13.294 ( 2.284 0.000 -0.552) 2.350 13.724 ( -6.274 0.000 1.655) 6.489 13.745 ( -10.344 0.000 -0.419) 10.352 13.814 ( 15.578 0.000 -3.866) 16.051 13.822 ( 14.753 0.000 3.303) 15.119 14.174 ( -0.846 0.000 0.493) 0.979 14.205 ( -2.930 0.000 -0.500) 2.972 14.273 ( 2.542 0.000 0.656) 2.625 14.279 ( -1.491 0.000 -0.916) 1.750 14.666 ( -4.281 0.000 -2.021) 4.734 14.667 ( -3.054 0.000 1.451) 3.382 14.925 ( 10.460 0.000 0.109) 10.461 15.068 ( 7.471 0.000 -2.477) 7.871 15.238 ( 7.579 0.000 0.401) 7.589 15.287 ( 9.314 0.000 1.326) 9.408 15.326 ( 6.942 0.000 -0.068) 6.943 15.334 ( 0.876 0.000 0.226) 0.904 15.467 ( 0.558 0.000 0.342) 0.655 15.525 ( -0.568 0.000 -1.186) 1.316 15.741 ( 10.621 0.000 -3.944) 11.329 15.755 ( 9.918 0.000 1.672) 10.058 15.852 ( -0.533 0.000 3.628) 3.667 15.896 ( -2.017 0.000 -6.496) 6.802 16.370 ( -1.297 0.000 2.126) 2.491 16.389 ( 2.899 0.000 -1.843) 3.435 16.443 ( 2.832 0.000 -3.084) 4.188 16.481 ( 2.407 0.000 3.306) 4.090 17.120 ( 0.724 0.000 -0.058) 0.726 17.154 ( 1.369 0.000 0.001) 1.369 17.186 ( 0.555 0.000 0.715) 0.905 17.242 ( 0.944 0.000 -1.013) 1.385 19.677 ( 6.284 0.000 1.876) 6.557 19.730 ( 4.577 0.000 -3.234) 5.604 19.915 ( 5.858 0.000 1.275) 5.995 19.917 ( 4.364 0.000 0.006) 4.364 20.357 ( -9.656 0.000 1.227) 9.734 20.471 ( -9.413 0.000 0.772) 9.444 20.625 ( -5.930 0.000 -1.240) 6.058 20.726 ( -5.579 0.000 -0.407) 5.594 21.807 ( 9.835 0.000 -1.211) 9.910 21.809 ( 8.304 0.000 -1.227) 8.394 21.931 ( 9.727 0.000 1.350) 9.821 21.947 ( 10.543 0.000 0.450) 10.553 22.701 ( -8.343 0.000 -0.833) 8.384 22.856 ( -6.532 0.000 0.070) 6.532 22.927 ( -12.598 0.000 1.890) 12.739 23.022 ( -10.149 0.000 0.233) 10.152 26.892 ( 17.772 0.000 1.555) 17.840 26.919 ( 18.782 0.000 -1.497) 18.841 27.200 ( 26.779 0.000 9.240) 28.328 27.305 ( 26.860 0.000 -14.362) 30.458 28.683 ( -23.367 0.000 0.387) 23.370 28.714 ( -22.686 0.000 -0.879) 22.703 29.138 ( -19.779 0.000 1.694) 19.851 29.147 ( -21.870 0.000 -1.957) 21.958 30.222 ( 16.492 0.000 -1.363) 16.548 30.228 ( 17.349 0.000 2.368) 17.509 30.611 ( 4.478 0.000 3.588) 5.738 30.655 ( 7.468 0.000 -2.778) 7.968 30.669 ( 3.552 0.000 -0.642) 3.610 30.720 ( 8.125 0.000 1.271) 8.224 30.968 ( 8.905 0.000 2.811) 9.338 31.075 ( 5.424 0.000 -4.863) 7.285 31.368 ( -8.066 0.000 -1.034) 8.132 31.462 ( -9.144 0.000 2.257) 9.419 31.716 ( -11.091 0.000 2.923) 11.470 31.755 ( -9.860 0.000 -2.020) 10.064 31.884 ( 2.197 0.000 -0.038) 2.197 31.981 ( -0.311 0.000 -0.589) 0.666 32.268 ( 5.899 0.000 6.816) 9.014 32.299 ( 1.040 0.000 -18.627) 18.656 32.630 ( 12.552 0.000 3.519) 13.036 32.671 ( 11.697 0.000 1.189) 11.758 32.814 ( 14.102 0.000 -3.281) 14.479 32.831 ( 14.274 0.000 0.027) 14.274 33.360 ( -3.987 0.000 -0.194) 3.992 33.373 ( -3.824 0.000 1.956) 4.295 33.606 ( -6.406 0.000 1.015) 6.486 33.620 ( -7.112 0.000 -3.704) 8.018 34.713 ( -2.604 0.000 -0.467) 2.645 34.821 ( -2.747 0.000 -1.603) 3.181 34.966 ( 1.944 0.000 -0.133) 1.948 35.037 ( 2.112 0.000 1.878) 2.826 35.276 ( 1.417 0.000 -2.110) 2.542 35.408 ( 3.525 0.000 -0.801) 3.615 35.533 ( 4.634 0.000 -2.585) 5.306 35.533 ( 4.508 0.000 -0.866) 4.591 35.721 ( 1.911 0.000 9.447) 9.639 35.780 ( 3.081 0.000 7.110) 7.749 35.816 ( 0.378 0.000 -6.352) 6.364 35.904 ( 5.803 0.000 -9.414) 11.059 36.920 ( -4.303 0.000 22.455) 22.863 37.167 ( -7.305 0.000 -17.484) 18.949 37.762 ( -24.746 0.000 17.325) 30.208 38.033 ( -19.512 0.000 -8.719) 21.371 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 4.460 0.000 -2.840) 5.288 1.724 ( 6.386 0.000 -3.935) 7.501 1.893 ( 3.137 0.000 -7.256) 7.905 1.936 ( 9.493 0.000 6.366) 11.430 2.000 ( -2.157 0.000 -3.608) 4.204 2.081 ( -8.139 0.000 -1.873) 8.352 2.213 ( 4.867 0.000 11.701) 12.673 2.290 ( 2.729 0.000 -2.014) 3.392 2.436 ( -3.764 0.000 -5.888) 6.988 2.467 ( 13.516 0.000 3.358) 13.927 2.514 ( 10.452 0.000 -8.324) 13.362 2.595 ( -3.220 0.000 5.168) 6.089 2.632 ( -4.438 0.000 -8.626) 9.701 2.652 ( 4.455 0.000 0.057) 4.455 2.765 ( -1.114 0.000 -5.613) 5.723 2.823 ( 1.022 0.000 -0.114) 1.028 2.863 ( 3.130 0.000 8.237) 8.812 2.892 ( 1.089 0.000 3.505) 3.670 2.904 ( -2.448 0.000 -5.094) 5.651 3.100 ( 4.303 0.000 6.568) 7.852 3.104 ( 13.783 0.000 -4.669) 14.553 3.182 ( -2.395 0.000 -0.917) 2.565 3.363 ( -3.473 0.000 7.998) 8.720 3.412 ( 6.338 0.000 -4.137) 7.569 3.414 ( -3.145 0.000 -6.466) 7.190 3.519 ( 12.504 0.000 0.861) 12.533 3.562 ( 3.577 0.000 3.390) 4.929 3.671 ( -3.014 0.000 -1.532) 3.381 3.672 ( 6.535 0.000 9.112) 11.213 3.715 ( 1.351 0.000 2.032) 2.440 3.778 ( 2.234 0.000 0.541) 2.298 3.894 ( 3.825 0.000 -7.467) 8.390 3.939 ( 1.668 0.000 5.317) 5.572 4.007 ( 3.758 0.000 -1.072) 3.908 4.073 ( 1.389 0.000 -0.864) 1.636 4.122 ( -5.799 0.000 -3.556) 6.802 4.185 ( -3.206 0.000 -3.762) 4.943 4.266 ( -1.340 0.000 -3.177) 3.448 4.284 ( -4.943 0.000 -0.250) 4.949 4.362 ( 1.847 0.000 2.367) 3.002 4.435 ( -0.332 0.000 -2.439) 2.461 4.457 ( 5.007 0.000 0.432) 5.025 4.576 ( -0.503 0.000 3.350) 3.387 4.698 ( 4.133 0.000 2.016) 4.598 4.700 ( -4.552 0.000 -1.752) 4.877 4.754 ( -5.123 0.000 -2.712) 5.797 4.801 ( -3.136 0.000 4.143) 5.196 4.891 ( 4.920 0.000 2.728) 5.626 4.893 ( -1.404 0.000 0.763) 1.598 4.958 ( 0.586 0.000 -5.234) 5.267 5.000 ( 4.212 0.000 6.303) 7.581 5.163 ( -1.915 0.000 -0.612) 2.010 5.167 ( -4.832 0.000 2.780) 5.575 5.224 ( 2.928 0.000 4.058) 5.004 5.238 ( -7.595 0.000 2.926) 8.139 5.411 ( 1.432 0.000 -1.827) 2.321 5.475 ( 1.979 0.000 -5.584) 5.925 5.529 ( -1.005 0.000 2.724) 2.903 5.547 ( -2.051 0.000 -1.043) 2.301 5.589 ( -3.290 0.000 -1.522) 3.625 5.874 ( -2.625 0.000 1.632) 3.091 5.937 ( 0.885 0.000 -2.056) 2.238 5.974 ( -9.228 0.000 2.183) 9.483 6.022 ( 0.080 0.000 -4.309) 4.309 6.076 ( -0.071 0.000 -2.441) 2.442 6.118 ( 5.216 0.000 1.925) 5.560 6.177 ( 7.744 0.000 0.899) 7.796 6.244 ( 2.261 0.000 -1.076) 2.504 6.485 ( 1.814 0.000 1.757) 2.525 6.555 ( -2.133 0.000 2.506) 3.291 6.574 ( 1.057 0.000 -2.077) 2.330 6.618 ( -5.579 0.000 -3.832) 6.768 6.736 ( 0.657 0.000 1.178) 1.349 6.826 ( 6.928 0.000 -0.787) 6.973 6.910 ( 3.000 0.000 -0.145) 3.003 7.024 ( -6.931 0.000 1.547) 7.102 7.400 ( -13.672 0.000 0.176) 13.673 7.516 ( -11.189 0.000 -0.035) 11.189 7.659 ( -13.565 0.000 0.706) 13.583 7.980 ( -11.637 0.000 0.742) 11.660 8.671 ( 2.948 0.000 -2.059) 3.596 8.745 ( -1.306 0.000 -0.945) 1.612 8.790 ( -2.378 0.000 2.660) 3.568 8.882 ( -0.213 0.000 0.485) 0.530 9.019 ( 0.771 0.000 1.727) 1.892 9.055 ( -0.334 0.000 -2.525) 2.547 9.106 ( -1.642 0.000 1.785) 2.425 9.146 ( 2.739 0.000 -0.157) 2.744 9.268 ( 3.442 0.000 -0.686) 3.510 9.358 ( 7.423 0.000 -0.114) 7.424 9.359 ( 1.494 0.000 2.255) 2.705 9.387 ( 5.015 0.000 -1.047) 5.123 9.527 ( -12.028 0.000 1.659) 12.142 9.586 ( -8.066 0.000 -0.918) 8.118 9.639 ( -3.835 0.000 -2.394) 4.521 9.739 ( -7.877 0.000 -0.330) 7.884 9.937 ( -0.958 0.000 3.784) 3.903 9.941 ( 1.573 0.000 -3.732) 4.050 10.043 ( -5.343 0.000 -1.396) 5.523 10.235 ( -3.104 0.000 1.235) 3.341 10.406 ( -1.649 0.000 1.062) 1.962 10.523 ( -0.836 0.000 -0.336) 0.901 10.637 ( -3.637 0.000 0.085) 3.638 10.665 ( -1.314 0.000 -0.087) 1.317 11.545 ( 2.465 0.000 0.057) 2.466 11.605 ( 4.197 0.000 -0.486) 4.225 11.610 ( 6.262 0.000 0.545) 6.286 11.648 ( 6.679 0.000 -0.177) 6.681 11.903 ( -1.379 0.000 -0.469) 1.457 11.975 ( -2.630 0.000 0.129) 2.633 11.976 ( 1.327 0.000 -0.095) 1.330 11.993 ( -0.592 0.000 0.718) 0.931 12.098 ( -0.984 0.000 1.892) 2.132 12.237 ( 2.454 0.000 -0.504) 2.506 12.261 ( 0.982 0.000 -1.109) 1.482 12.324 ( 5.704 0.000 -0.273) 5.710 12.674 ( 0.960 0.000 -0.319) 1.011 12.684 ( 2.921 0.000 0.610) 2.984 12.817 ( -3.411 0.000 -0.339) 3.428 12.820 ( -0.718 0.000 -0.134) 0.730 13.316 ( 4.357 0.000 0.325) 4.369 13.334 ( 3.009 0.000 -0.581) 3.064 13.583 ( -7.678 0.000 -0.368) 7.687 13.594 ( -6.456 0.000 0.405) 6.468 13.989 ( 7.226 0.000 -0.560) 7.248 14.126 ( 11.725 0.000 2.706) 12.033 14.176 ( 0.325 0.000 -0.639) 0.717 14.212 ( 3.994 0.000 -0.290) 4.004 14.252 ( -0.075 0.000 -0.144) 0.163 14.330 ( 4.545 0.000 -0.757) 4.607 14.526 ( -8.980 0.000 -1.285) 9.072 14.612 ( -5.634 0.000 1.189) 5.758 15.059 ( 4.425 0.000 0.051) 4.425 15.087 ( 0.384 0.000 -1.393) 1.445 15.328 ( -3.899 0.000 0.502) 3.931 15.339 ( 3.144 0.000 0.204) 3.151 15.358 ( -0.191 0.000 1.223) 1.238 15.399 ( 3.451 0.000 0.364) 3.470 15.519 ( 1.963 0.000 -1.503) 2.473 15.538 ( 2.387 0.000 0.529) 2.445 15.866 ( 6.562 0.000 -1.067) 6.648 15.896 ( 8.354 0.000 -2.660) 8.768 15.918 ( 5.282 0.000 1.020) 5.380 15.952 ( 7.700 0.000 1.636) 7.872 16.364 ( -2.245 0.000 2.563) 3.407 16.379 ( -1.539 0.000 -0.816) 1.742 16.446 ( 1.388 0.000 -1.805) 2.277 16.490 ( -5.036 0.000 2.082) 5.449 17.139 ( 1.146 0.000 -0.001) 1.146 17.192 ( 2.282 0.000 0.551) 2.348 17.202 ( 0.185 0.000 0.658) 0.684 17.236 ( 0.383 0.000 -1.761) 1.802 19.805 ( 8.234 0.000 -2.058) 8.488 19.840 ( 9.365 0.000 1.877) 9.551 20.004 ( 5.009 0.000 -0.165) 5.012 20.057 ( 6.685 0.000 1.850) 6.936 20.203 ( -10.297 0.000 2.121) 10.513 20.293 ( -10.982 0.000 0.383) 10.989 20.518 ( -5.262 0.000 -0.042) 5.262 20.614 ( -5.949 0.000 -0.495) 5.969 21.951 ( 8.276 0.000 -0.124) 8.277 21.969 ( 10.336 0.000 -1.314) 10.420 22.118 ( 9.495 0.000 0.632) 9.516 22.139 ( 10.871 0.000 -0.355) 10.877 22.553 ( -7.222 0.000 -0.401) 7.233 22.719 ( -8.578 0.000 -0.662) 8.604 22.742 ( -10.897 0.000 2.023) 11.083 22.833 ( -10.628 0.000 -0.285) 10.632 27.227 ( 18.487 0.000 -1.766) 18.571 27.242 ( 18.268 0.000 2.199) 18.400 27.587 ( 21.789 0.000 -7.712) 23.114 27.793 ( 21.936 0.000 12.688) 25.341 28.317 ( -19.376 0.000 0.916) 19.397 28.330 ( -18.704 0.000 -1.843) 18.795 28.717 ( -23.188 0.000 -2.695) 23.344 28.820 ( -18.239 0.000 2.781) 18.450 30.448 ( 11.310 0.000 -1.263) 11.380 30.520 ( 12.405 0.000 2.602) 12.675 30.695 ( 0.486 0.000 -2.183) 2.237 30.702 ( 1.466 0.000 2.022) 2.498 30.781 ( 10.087 0.000 -1.199) 10.158 30.881 ( 8.693 0.000 0.639) 8.717 31.123 ( -0.419 0.000 1.763) 1.812 31.147 ( 6.907 0.000 3.910) 7.937 31.207 ( -4.821 0.000 -1.271) 4.986 31.290 ( -11.127 0.000 0.555) 11.140 31.547 ( -12.215 0.000 3.465) 12.696 31.560 ( -8.080 0.000 -1.497) 8.218 31.975 ( 4.646 0.000 1.118) 4.778 32.013 ( 4.408 0.000 -3.316) 5.516 32.226 ( 4.032 0.000 0.083) 4.033 32.445 ( 1.926 0.000 9.428) 9.623 32.830 ( 5.391 0.000 2.261) 5.846 32.857 ( 7.958 0.000 -0.045) 7.958 33.032 ( 12.863 0.000 0.085) 12.864 33.056 ( 12.296 0.000 -0.997) 12.336 33.268 ( -4.352 0.000 -2.462) 5.000 33.327 ( -3.356 0.000 1.295) 3.597 33.467 ( -7.987 0.000 0.520) 8.004 33.500 ( -9.301 0.000 3.049) 9.788 34.676 ( -0.998 0.000 0.167) 1.012 34.766 ( -0.819 0.000 -1.388) 1.611 34.982 ( 1.194 0.000 -1.906) 2.249 35.072 ( 1.235 0.000 -1.210) 1.729 35.291 ( 1.104 0.000 1.385) 1.772 35.445 ( 2.184 0.000 -1.355) 2.570 35.573 ( 2.918 0.000 -1.196) 3.154 35.583 ( 2.764 0.000 -1.448) 3.120 35.762 ( 2.713 0.000 -6.566) 7.104 35.820 ( -1.823 0.000 4.311) 4.681 35.900 ( 7.348 0.000 -9.971) 12.386 35.905 ( 2.339 0.000 2.536) 3.450 36.905 ( 0.408 0.000 -11.547) 11.554 37.021 ( -8.199 0.000 11.298) 13.960 37.558 ( -19.451 0.000 10.330) 22.024 37.623 ( -9.932 0.000 -10.549) 14.488 ======================= Grid point 49 (20/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 0.971 0.000 3.674) 3.800 1.779 ( 0.521 0.000 0.530) 0.743 1.838 ( 2.767 0.000 -8.530) 8.967 1.939 ( -8.506 0.000 -6.180) 10.514 1.996 ( 3.906 0.000 0.874) 4.003 2.081 ( 8.901 0.000 3.830) 9.690 2.189 ( -13.629 0.000 -9.580) 16.659 2.332 ( 5.434 0.000 -3.254) 6.334 2.340 ( -0.783 0.000 -0.658) 1.022 2.444 ( -4.911 0.000 -2.659) 5.585 2.470 ( 3.330 0.000 -1.585) 3.688 2.552 ( -5.651 0.000 -10.116) 11.587 2.672 ( -1.814 0.000 4.130) 4.511 2.690 ( 0.281 0.000 -3.846) 3.856 2.768 ( 2.397 0.000 2.493) 3.458 2.790 ( 3.325 0.000 1.761) 3.763 2.853 ( -1.831 0.000 -8.308) 8.508 2.868 ( 4.309 0.000 -1.334) 4.511 2.985 ( 1.546 0.000 3.644) 3.959 3.082 ( -6.101 0.000 2.437) 6.570 3.254 ( -4.106 0.000 6.456) 7.651 3.293 ( 2.482 0.000 -0.093) 2.484 3.339 ( -3.968 0.000 -1.050) 4.104 3.436 ( 5.376 0.000 1.462) 5.571 3.437 ( 4.377 0.000 -3.121) 5.375 3.560 ( -5.940 0.000 2.649) 6.504 3.564 ( -3.400 0.000 -1.248) 3.622 3.660 ( -0.688 0.000 -5.442) 5.486 3.717 ( -3.078 0.000 -1.287) 3.336 3.745 ( -1.561 0.000 -0.473) 1.631 3.770 ( 5.950 0.000 -1.977) 6.270 3.842 ( 3.107 0.000 -6.866) 7.536 3.903 ( -7.573 0.000 0.844) 7.620 4.018 ( -1.134 0.000 -0.956) 1.483 4.099 ( 1.432 0.000 1.771) 2.278 4.133 ( 2.501 0.000 3.021) 3.922 4.245 ( 2.532 0.000 0.869) 2.677 4.248 ( 6.778 0.000 4.503) 8.137 4.281 ( 5.633 0.000 -0.201) 5.636 4.398 ( 0.531 0.000 -0.250) 0.587 4.440 ( -2.676 0.000 1.368) 3.006 4.527 ( 2.270 0.000 -2.349) 3.267 4.540 ( -2.677 0.000 -2.008) 3.346 4.609 ( -3.612 0.000 1.396) 3.872 4.647 ( 0.872 0.000 -5.520) 5.589 4.706 ( -0.713 0.000 0.662) 0.973 4.858 ( -1.037 0.000 -3.046) 3.217 4.864 ( 2.699 0.000 3.260) 4.232 4.893 ( -2.995 0.000 4.980) 5.812 4.977 ( 2.118 0.000 1.057) 2.367 5.118 ( -6.780 0.000 7.086) 9.808 5.132 ( -0.631 0.000 -1.299) 1.444 5.171 ( -2.728 0.000 3.020) 4.070 5.249 ( 6.811 0.000 6.781) 9.611 5.263 ( -3.284 0.000 3.132) 4.538 5.419 ( 1.843 0.000 -0.560) 1.927 5.495 ( -1.622 0.000 -0.237) 1.639 5.529 ( 6.491 0.000 1.123) 6.587 5.552 ( -0.124 0.000 2.108) 2.112 5.564 ( 1.289 0.000 0.080) 1.292 5.834 ( -6.201 0.000 -1.433) 6.364 5.878 ( -0.247 0.000 1.792) 1.809 5.931 ( 0.993 0.000 -0.501) 1.112 6.019 ( 6.009 0.000 -2.733) 6.601 6.075 ( 1.981 0.000 -1.697) 2.609 6.155 ( -5.770 0.000 -3.455) 6.725 6.223 ( 3.509 0.000 -0.965) 3.639 6.276 ( -2.244 0.000 -3.022) 3.763 6.499 ( -1.156 0.000 0.078) 1.159 6.539 ( -0.286 0.000 0.856) 0.902 6.580 ( 3.266 0.000 1.567) 3.622 6.614 ( 2.901 0.000 1.259) 3.163 6.777 ( -0.837 0.000 2.339) 2.485 6.863 ( -2.775 0.000 -2.858) 3.984 6.924 ( -0.797 0.000 -0.188) 0.819 6.939 ( -1.750 0.000 0.222) 1.764 7.309 ( 1.680 0.000 2.424) 2.949 7.408 ( 0.306 0.000 0.043) 0.309 7.591 ( 2.395 0.000 5.120) 5.653 7.847 ( -2.158 0.000 -1.246) 2.492 8.683 ( 1.853 0.000 -2.087) 2.791 8.705 ( -0.567 0.000 -2.661) 2.721 8.789 ( -1.881 0.000 2.918) 3.472 8.879 ( -0.182 0.000 0.016) 0.183 9.035 ( -1.151 0.000 1.225) 1.680 9.056 ( 2.527 0.000 -0.625) 2.603 9.093 ( -1.854 0.000 1.342) 2.289 9.176 ( 1.230 0.000 -0.254) 1.256 9.326 ( 2.740 0.000 0.364) 2.764 9.365 ( -5.659 0.000 0.684) 5.700 9.394 ( -1.064 0.000 1.709) 2.013 9.423 ( -1.919 0.000 -1.509) 2.441 9.446 ( 2.769 0.000 -0.831) 2.891 9.500 ( 2.255 0.000 -1.263) 2.585 9.617 ( 2.494 0.000 -0.557) 2.555 9.631 ( -2.015 0.000 -0.784) 2.162 9.907 ( -4.447 0.000 -1.343) 4.645 9.957 ( 3.935 0.000 -1.386) 4.172 10.030 ( 2.726 0.000 2.812) 3.916 10.180 ( -2.423 0.000 -1.814) 3.027 10.403 ( -0.517 0.000 1.393) 1.486 10.506 ( 0.118 0.000 -1.168) 1.174 10.618 ( 0.397 0.000 1.121) 1.189 10.656 ( 0.013 0.000 0.155) 0.155 11.569 ( 0.005 0.000 0.434) 0.434 11.624 ( -0.351 0.000 -0.832) 0.903 11.680 ( 0.445 0.000 0.396) 0.596 11.708 ( 0.119 0.000 -0.047) 0.128 11.897 ( 0.610 0.000 0.012) 0.610 11.945 ( -2.545 0.000 -2.230) 3.384 11.950 ( -0.330 0.000 0.507) 0.605 11.996 ( 0.864 0.000 -0.292) 0.912 12.105 ( -1.223 0.000 2.044) 2.382 12.249 ( 0.091 0.000 -1.329) 1.332 12.294 ( 1.535 0.000 1.334) 2.034 12.374 ( 0.228 0.000 -0.931) 0.959 12.677 ( 0.223 0.000 0.095) 0.242 12.716 ( -1.278 0.000 -0.831) 1.524 12.769 ( 0.853 0.000 0.399) 0.942 12.806 ( -0.085 0.000 -0.441) 0.449 13.370 ( 0.649 0.000 -0.090) 0.655 13.373 ( -0.700 0.000 -0.106) 0.708 13.500 ( 0.719 0.000 0.107) 0.727 13.526 ( -0.771 0.000 -0.472) 0.904 14.055 ( 0.776 0.000 0.940) 1.219 14.161 ( -1.203 0.000 -1.319) 1.785 14.221 ( 0.523 0.000 0.191) 0.556 14.248 ( -0.005 0.000 -0.254) 0.254 14.344 ( -10.499 0.000 -0.011) 10.499 14.382 ( 10.984 0.000 1.720) 11.118 14.409 ( 3.798 0.000 -1.206) 3.985 14.503 ( -4.794 0.000 -1.441) 5.006 15.101 ( 0.259 0.000 -0.266) 0.372 15.103 ( 1.497 0.000 -0.354) 1.538 15.269 ( -0.397 0.000 0.730) 0.831 15.304 ( -1.499 0.000 -0.157) 1.508 15.400 ( -0.149 0.000 0.064) 0.162 15.418 ( -0.900 0.000 -0.672) 1.123 15.551 ( -1.197 0.000 0.075) 1.199 15.551 ( 2.021 0.000 -0.010) 2.021 15.944 ( 0.744 0.000 0.195) 0.769 15.977 ( -0.655 0.000 -0.326) 0.732 16.000 ( 3.954 0.000 1.599) 4.265 16.028 ( -0.950 0.000 0.220) 0.975 16.355 ( -3.181 0.000 1.586) 3.555 16.363 ( 1.881 0.000 0.648) 1.990 16.410 ( -2.241 0.000 -0.111) 2.244 16.463 ( 2.310 0.000 -0.540) 2.372 17.147 ( -0.120 0.000 -0.189) 0.224 17.197 ( -1.100 0.000 -1.286) 1.692 17.210 ( -0.317 0.000 0.855) 0.912 17.247 ( 1.844 0.000 -0.043) 1.844 19.934 ( 6.052 0.000 -0.902) 6.119 19.953 ( -3.709 0.000 -1.314) 3.935 20.065 ( 4.713 0.000 1.680) 5.003 20.074 ( -4.672 0.000 2.089) 5.118 20.128 ( -2.735 0.000 1.549) 3.143 20.180 ( -1.966 0.000 1.991) 2.799 20.471 ( 0.507 0.000 0.689) 0.856 20.557 ( 0.874 0.000 -0.153) 0.887 22.034 ( -0.440 0.000 0.250) 0.506 22.072 ( 0.881 0.000 -0.684) 1.116 22.235 ( 0.608 0.000 0.984) 1.156 22.263 ( 0.768 0.000 0.254) 0.808 22.480 ( 0.880 0.000 -0.173) 0.897 22.575 ( -2.692 0.000 -2.451) 3.641 22.659 ( -0.133 0.000 1.393) 1.399 22.718 ( 0.265 0.000 -0.096) 0.282 27.433 ( -3.599 0.000 0.111) 3.601 27.439 ( 3.447 0.000 -0.048) 3.448 27.840 ( 11.555 0.000 1.588) 11.664 27.957 ( -17.253 0.000 -2.150) 17.387 28.105 ( -2.826 0.000 0.151) 2.830 28.155 ( 5.770 0.000 -1.919) 6.080 28.544 ( 8.465 0.000 6.398) 10.611 28.645 ( -5.012 0.000 3.961) 6.388 30.561 ( 2.291 0.000 -0.579) 2.363 30.614 ( -5.807 0.000 -2.150) 6.192 30.699 ( 4.766 0.000 0.609) 4.805 30.699 ( -3.309 0.000 0.564) 3.357 30.966 ( 5.239 0.000 1.953) 5.591 30.993 ( 0.064 0.000 0.276) 0.283 31.004 ( -3.226 0.000 0.843) 3.335 31.123 ( -1.807 0.000 -1.898) 2.621 31.267 ( 1.843 0.000 4.343) 4.718 31.334 ( 3.530 0.000 7.302) 8.111 31.391 ( -7.815 0.000 1.516) 7.960 31.509 ( 2.836 0.000 2.243) 3.616 32.015 ( -1.768 0.000 0.606) 1.869 32.029 ( 1.632 0.000 -1.300) 2.086 32.417 ( 8.500 0.000 11.747) 14.500 32.520 ( -7.134 0.000 8.319) 10.958 32.866 ( -0.672 0.000 -1.215) 1.389 32.889 ( -2.504 0.000 -3.431) 4.248 33.204 ( 0.767 0.000 -0.551) 0.944 33.205 ( 3.156 0.000 -1.860) 3.664 33.223 ( 2.906 0.000 2.003) 3.529 33.287 ( -3.926 0.000 0.764) 3.999 33.383 ( -3.113 0.000 2.289) 3.864 33.389 ( 1.422 0.000 2.028) 2.476 34.690 ( 0.484 0.000 2.490) 2.537 34.770 ( 1.414 0.000 0.882) 1.667 34.964 ( 0.470 0.000 -3.007) 3.043 35.047 ( -0.390 0.000 -3.896) 3.915 35.349 ( 1.105 0.000 4.690) 4.818 35.449 ( 0.485 0.000 -1.732) 1.798 35.585 ( 0.861 0.000 -3.858) 3.953 35.608 ( 2.216 0.000 -0.515) 2.275 35.746 ( 4.367 0.000 -6.169) 7.558 35.750 ( -6.176 0.000 -2.055) 6.509 35.866 ( -4.534 0.000 -4.981) 6.736 35.903 ( 7.516 0.000 -10.910) 13.249 36.914 ( -12.850 0.000 0.979) 12.887 36.951 ( 12.327 0.000 -0.086) 12.327 37.336 ( -15.214 0.000 2.001) 15.345 37.544 ( 10.525 0.000 -3.222) 11.007 ======================= Grid point 50 (21/63) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -16.846 0.000 -1.366) 16.902 1.486 ( -24.456 0.000 -4.994) 24.961 1.805 ( -11.488 0.000 -3.051) 11.886 1.874 ( 7.839 0.000 -6.747) 10.343 1.942 ( -6.315 0.000 -6.327) 8.939 1.954 ( 2.949 0.000 -1.198) 3.183 2.137 ( -12.352 0.000 -9.765) 15.746 2.288 ( -10.082 0.000 -8.568) 13.231 2.373 ( 13.304 0.000 6.375) 14.753 2.411 ( 1.030 0.000 -10.633) 10.683 2.436 ( 5.393 0.000 5.444) 7.663 2.538 ( -3.959 0.000 -1.356) 4.185 2.559 ( -8.196 0.000 -5.260) 9.739 2.670 ( 8.399 0.000 5.927) 10.280 2.710 ( -2.912 0.000 -0.915) 3.052 2.844 ( 0.536 0.000 5.347) 5.374 2.899 ( -8.742 0.000 1.023) 8.802 2.955 ( 1.241 0.000 8.571) 8.660 2.998 ( -6.374 0.000 1.114) 6.470 3.016 ( 4.096 0.000 -2.364) 4.730 3.084 ( -8.227 0.000 -6.791) 10.668 3.166 ( -7.905 0.000 3.860) 8.797 3.260 ( -2.952 0.000 5.316) 6.081 3.416 ( -3.381 0.000 -1.934) 3.895 3.439 ( -8.770 0.000 3.050) 9.285 3.508 ( -0.674 0.000 3.411) 3.477 3.574 ( -0.986 0.000 -8.053) 8.113 3.615 ( -5.134 0.000 -3.028) 5.960 3.626 ( 3.398 0.000 0.732) 3.476 3.741 ( 6.200 0.000 -1.518) 6.383 3.784 ( -2.277 0.000 -4.351) 4.911 3.848 ( -0.530 0.000 3.444) 3.484 3.855 ( 1.956 0.000 -3.040) 3.615 4.051 ( 3.005 0.000 4.887) 5.737 4.146 ( 0.292 0.000 1.048) 1.088 4.223 ( 1.364 0.000 0.791) 1.576 4.229 ( -4.441 0.000 -3.050) 5.388 4.316 ( -5.466 0.000 -2.739) 6.114 4.329 ( 4.316 0.000 -4.043) 5.914 4.390 ( 3.727 0.000 5.464) 6.614 4.452 ( -0.989 0.000 -6.374) 6.450 4.493 ( 7.017 0.000 0.775) 7.060 4.518 ( 3.028 0.000 -0.090) 3.029 4.577 ( -1.275 0.000 -0.943) 1.586 4.708 ( -1.256 0.000 0.209) 1.273 4.729 ( 5.791 0.000 2.482) 6.300 4.895 ( 6.311 0.000 2.510) 6.792 4.920 ( 0.118 0.000 1.816) 1.820 4.950 ( -1.132 0.000 10.651) 10.711 5.007 ( -2.093 0.000 1.832) 2.782 5.096 ( -4.813 0.000 5.500) 7.308 5.108 ( 2.278 0.000 -4.454) 5.003 5.148 ( -0.095 0.000 -1.409) 1.412 5.249 ( -1.591 0.000 2.237) 2.745 5.342 ( -3.896 0.000 3.869) 5.491 5.441 ( 0.762 0.000 -0.319) 0.826 5.523 ( -0.572 0.000 3.155) 3.207 5.578 ( 4.734 0.000 -1.333) 4.918 5.593 ( 2.362 0.000 -1.002) 2.566 5.677 ( 6.113 0.000 1.803) 6.373 5.739 ( -1.277 0.000 -2.262) 2.598 5.899 ( 0.972 0.000 -1.506) 1.792 5.961 ( 2.504 0.000 0.904) 2.662 6.011 ( -5.043 0.000 -2.513) 5.635 6.077 ( -1.139 0.000 -0.819) 1.403 6.110 ( -1.361 0.000 -2.929) 3.230 6.143 ( 2.486 0.000 0.226) 2.496 6.189 ( -5.349 0.000 -2.206) 5.786 6.456 ( -3.174 0.000 -0.382) 3.197 6.486 ( -3.625 0.000 1.176) 3.811 6.685 ( 3.875 0.000 -1.203) 4.057 6.689 ( 2.560 0.000 1.239) 2.844 6.752 ( -3.872 0.000 1.249) 4.068 6.811 ( -0.279 0.000 -1.863) 1.884 6.882 ( -2.389 0.000 -2.209) 3.254 6.946 ( 3.156 0.000 1.917) 3.693 7.480 ( 13.274 0.000 2.844) 13.575 7.521 ( 11.427 0.000 -0.847) 11.459 7.802 ( 11.666 0.000 6.302) 13.259 7.888 ( 9.985 0.000 -3.865) 10.707 8.665 ( -0.029 0.000 -2.923) 2.923 8.702 ( 2.971 0.000 -1.195) 3.202 8.797 ( -1.710 0.000 3.758) 4.129 8.877 ( -0.071 0.000 -0.109) 0.130 9.013 ( -2.159 0.000 0.337) 2.185 9.080 ( -1.232 0.000 0.577) 1.360 9.090 ( 0.875 0.000 -0.831) 1.207 9.178 ( -1.651 0.000 1.075) 1.970 9.299 ( -2.245 0.000 0.382) 2.277 9.310 ( -5.839 0.000 -2.169) 6.229 9.316 ( -1.878 0.000 0.717) 2.011 9.432 ( -5.645 0.000 1.566) 5.858 9.521 ( 10.905 0.000 1.393) 10.994 9.579 ( 9.132 0.000 -1.968) 9.341 9.681 ( 5.137 0.000 0.181) 5.141 9.697 ( 9.866 0.000 -2.253) 10.120 9.796 ( -5.483 0.000 -1.404) 5.660 10.032 ( 5.540 0.000 -0.386) 5.554 10.132 ( 0.712 0.000 -2.341) 2.447 10.150 ( 6.158 0.000 3.047) 6.871 10.437 ( 2.171 0.000 2.252) 3.128 10.504 ( 1.332 0.000 -1.284) 1.850 10.654 ( 1.909 0.000 0.460) 1.964 10.671 ( 1.916 0.000 -0.050) 1.917 11.555 ( -2.447 0.000 0.583) 2.516 11.577 ( -4.010 0.000 -0.846) 4.098 11.627 ( -7.085 0.000 0.566) 7.108 11.646 ( -6.567 0.000 -0.596) 6.594 11.886 ( -0.714 0.000 -1.101) 1.312 11.916 ( 1.234 0.000 0.432) 1.308 11.978 ( 2.445 0.000 0.214) 2.454 11.995 ( -1.299 0.000 -0.066) 1.301 12.114 ( -0.423 0.000 2.032) 2.075 12.216 ( -1.533 0.000 -1.386) 2.066 12.319 ( -0.334 0.000 0.552) 0.645 12.321 ( -3.757 0.000 -0.703) 3.822 12.651 ( -3.657 0.000 -0.528) 3.695 12.682 ( -0.546 0.000 0.262) 0.606 12.815 ( 1.612 0.000 -0.397) 1.660 12.825 ( 2.903 0.000 0.006) 2.903 13.306 ( -4.396 0.000 -0.052) 4.396 13.338 ( -3.004 0.000 -0.302) 3.019 13.575 ( 6.363 0.000 -0.335) 6.372 13.594 ( 7.751 0.000 0.198) 7.753 14.031 ( -13.036 0.000 -1.854) 13.168 14.053 ( -3.055 0.000 2.639) 4.037 14.192 ( -1.806 0.000 0.347) 1.839 14.215 ( -3.095 0.000 -0.236) 3.104 14.272 ( 0.739 0.000 0.775) 1.071 14.324 ( -6.329 0.000 -1.309) 6.463 14.534 ( 6.224 0.000 -2.154) 6.587 14.587 ( 9.810 0.000 1.566) 9.934 15.051 ( -4.853 0.000 -0.509) 4.879 15.100 ( 0.028 0.000 -0.718) 0.719 15.319 ( 1.248 0.000 0.293) 1.282 15.336 ( 1.896 0.000 0.408) 1.939 15.362 ( -3.911 0.000 0.809) 3.994 15.364 ( -2.911 0.000 -0.218) 2.919 15.504 ( -2.214 0.000 -1.160) 2.499 15.564 ( -1.032 0.000 0.394) 1.104 15.878 ( -8.750 0.000 -0.909) 8.797 15.900 ( -3.925 0.000 0.870) 4.021 15.919 ( -10.342 0.000 -0.938) 10.385 16.065 ( 0.925 0.000 2.356) 2.531 16.328 ( -0.268 0.000 1.040) 1.074 16.413 ( 1.142 0.000 -1.592) 1.960 16.458 ( 2.445 0.000 1.824) 3.051 16.526 ( 6.992 0.000 2.439) 7.405 17.138 ( -0.866 0.000 0.367) 0.940 17.162 ( -1.004 0.000 -0.954) 1.385 17.203 ( -1.581 0.000 0.298) 1.609 17.261 ( 0.129 0.000 -0.394) 0.414 19.799 ( -9.173 0.000 -0.526) 9.188 19.901 ( -5.125 0.000 0.992) 5.220 20.027 ( -8.531 0.000 0.353) 8.539 20.074 ( -6.382 0.000 3.073) 7.084 20.180 ( 9.247 0.000 1.700) 9.402 20.281 ( 9.216 0.000 -0.060) 9.216 20.556 ( 6.753 0.000 1.566) 6.932 20.619 ( 5.845 0.000 -0.968) 5.925 21.945 ( -8.456 0.000 -0.658) 8.481 21.981 ( -9.034 0.000 -0.764) 9.067 22.116 ( -11.979 0.000 0.460) 11.988 22.142 ( -11.241 0.000 -0.141) 11.242 22.595 ( 8.710 0.000 1.875) 8.909 22.636 ( 10.829 0.000 -2.945) 11.222 22.755 ( 7.768 0.000 1.557) 7.923 22.831 ( 10.552 0.000 -0.436) 10.561 27.185 ( -19.024 0.000 -0.524) 19.031 27.296 ( -17.324 0.000 1.213) 17.366 27.490 ( -26.745 0.000 -3.206) 26.936 28.021 ( 0.596 0.000 10.086) 10.103 28.285 ( 19.877 0.000 -0.439) 19.881 28.385 ( 17.982 0.000 0.181) 17.983 28.777 ( 15.461 0.000 0.554) 15.471 28.851 ( 16.643 0.000 2.511) 16.831 30.438 ( -12.135 0.000 -0.917) 12.169 30.492 ( -9.996 0.000 1.010) 10.047 30.635 ( -3.855 0.000 -0.263) 3.864 30.722 ( -1.542 0.000 -0.238) 1.560 30.852 ( -8.027 0.000 1.379) 8.145 30.853 ( -11.128 0.000 -0.884) 11.163 31.195 ( -7.072 0.000 0.944) 7.134 31.218 ( 12.052 0.000 2.636) 12.337 31.221 ( 3.764 0.000 -0.488) 3.795 31.365 ( 2.294 0.000 7.658) 7.994 31.542 ( 8.917 0.000 2.780) 9.340 31.653 ( 8.055 0.000 2.260) 8.366 31.945 ( -5.242 0.000 -0.484) 5.264 32.065 ( -0.171 0.000 6.127) 6.129 32.406 ( -12.525 0.000 2.632) 12.799 32.709 ( -2.814 0.000 3.192) 4.255 32.788 ( -8.283 0.000 -0.031) 8.283 32.790 ( 4.678 0.000 6.325) 7.867 33.072 ( -12.874 0.000 -0.167) 12.875 33.095 ( -8.818 0.000 -0.007) 8.818 33.225 ( 1.450 0.000 -2.970) 3.305 33.349 ( 7.694 0.000 6.767) 10.247 33.518 ( 9.425 0.000 2.572) 9.769 33.567 ( 10.945 0.000 2.554) 11.239 34.738 ( 0.229 0.000 3.729) 3.736 34.815 ( 1.106 0.000 1.914) 2.211 34.932 ( 0.269 0.000 -3.228) 3.240 34.971 ( -1.594 0.000 -5.408) 5.638 35.422 ( -1.073 0.000 -1.742) 2.046 35.439 ( 0.774 0.000 7.234) 7.276 35.508 ( -1.651 0.000 -6.440) 6.648 35.613 ( -6.103 0.000 -3.172) 6.878 35.624 ( 2.032 0.000 -3.211) 3.800 35.718 ( -4.698 0.000 -2.481) 5.313 35.754 ( 3.477 0.000 -4.111) 5.385 35.876 ( 7.298 0.000 -14.919) 16.608 36.623 ( -16.899 0.000 -5.065) 17.641 37.083 ( -11.800 0.000 -5.285) 12.930 37.246 ( 16.558 0.000 4.192) 17.080 37.818 ( 20.382 0.000 0.404) 20.386 ======================= Grid point 51 (22/63) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -29.024 0.000 -1.790) 29.079 1.043 ( -25.203 0.000 -1.313) 25.237 1.616 ( -25.343 0.000 1.167) 25.370 1.717 ( -17.920 0.000 -5.485) 18.740 1.730 ( -9.241 0.000 -0.404) 9.250 1.854 ( -3.841 0.000 -1.665) 4.187 1.970 ( 6.524 0.000 -0.614) 6.553 2.143 ( 1.495 0.000 0.681) 1.643 2.297 ( 2.906 0.000 -6.364) 6.996 2.301 ( -4.562 0.000 -5.892) 7.451 2.481 ( -3.652 0.000 -0.373) 3.671 2.488 ( -5.528 0.000 1.652) 5.770 2.540 ( -9.007 0.000 0.962) 9.058 2.731 ( 5.384 0.000 -12.954) 14.028 2.757 ( -0.170 0.000 2.037) 2.044 2.842 ( 4.580 0.000 10.302) 11.274 2.848 ( 1.624 0.000 8.822) 8.970 2.935 ( -4.173 0.000 7.926) 8.957 2.992 ( 3.351 0.000 -6.509) 7.321 3.012 ( -7.823 0.000 -2.216) 8.131 3.123 ( 6.885 0.000 -1.106) 6.973 3.145 ( -3.269 0.000 8.653) 9.250 3.307 ( -5.874 0.000 1.677) 6.108 3.322 ( -11.322 0.000 -3.140) 11.749 3.368 ( 1.027 0.000 2.036) 2.281 3.477 ( -0.483 0.000 4.529) 4.555 3.512 ( 0.639 0.000 1.108) 1.279 3.587 ( -2.421 0.000 -5.808) 6.293 3.629 ( 2.924 0.000 9.373) 9.818 3.686 ( -6.471 0.000 -9.985) 11.899 3.722 ( 0.839 0.000 -4.129) 4.213 3.835 ( -3.561 0.000 0.764) 3.642 3.929 ( -0.708 0.000 7.183) 7.218 4.078 ( -1.879 0.000 -9.262) 9.451 4.091 ( -3.849 0.000 1.122) 4.009 4.130 ( -1.173 0.000 -2.599) 2.851 4.244 ( 4.299 0.000 -0.517) 4.330 4.257 ( -0.671 0.000 6.028) 6.066 4.343 ( -1.382 0.000 -1.722) 2.208 4.379 ( 5.301 0.000 -4.332) 6.846 4.557 ( 1.339 0.000 -3.433) 3.685 4.578 ( 6.333 0.000 3.155) 7.076 4.605 ( 5.144 0.000 3.060) 5.986 4.628 ( 4.172 0.000 0.244) 4.179 4.686 ( 0.740 0.000 1.212) 1.420 4.806 ( 4.556 0.000 -2.517) 5.205 4.935 ( -8.348 0.000 3.979) 9.248 4.954 ( 0.144 0.000 2.942) 2.945 5.001 ( -4.086 0.000 5.502) 6.853 5.055 ( 4.859 0.000 1.377) 5.050 5.078 ( -0.569 0.000 -6.043) 6.069 5.103 ( -2.326 0.000 4.335) 4.920 5.155 ( 7.981 0.000 -3.914) 8.889 5.259 ( 0.620 0.000 0.184) 0.647 5.360 ( 1.641 0.000 3.006) 3.425 5.414 ( -3.932 0.000 0.349) 3.947 5.509 ( 0.803 0.000 -2.690) 2.807 5.553 ( -3.640 0.000 -3.318) 4.926 5.644 ( 2.249 0.000 -1.370) 2.634 5.726 ( 0.332 0.000 1.075) 1.126 5.772 ( 3.425 0.000 0.684) 3.492 5.845 ( -2.312 0.000 -3.636) 4.309 5.933 ( -4.615 0.000 0.508) 4.643 5.964 ( -1.697 0.000 -3.073) 3.511 6.058 ( -0.002 0.000 2.297) 2.297 6.079 ( -2.151 0.000 -1.080) 2.407 6.114 ( 2.100 0.000 2.732) 3.446 6.221 ( 5.117 0.000 -0.366) 5.130 6.425 ( 0.753 0.000 -0.529) 0.920 6.470 ( -1.752 0.000 2.472) 3.030 6.647 ( -3.473 0.000 -3.528) 4.950 6.677 ( -3.135 0.000 -2.943) 4.300 6.729 ( 2.071 0.000 -1.624) 2.632 6.778 ( -2.992 0.000 1.458) 3.328 6.843 ( 3.052 0.000 -4.844) 5.726 7.041 ( 2.792 0.000 2.916) 4.037 7.738 ( 14.696 0.000 -1.265) 14.751 7.787 ( 18.468 0.000 1.049) 18.498 8.069 ( 15.575 0.000 -3.549) 15.974 8.091 ( 12.559 0.000 5.336) 13.645 8.625 ( -1.151 0.000 -2.663) 2.902 8.753 ( 3.259 0.000 0.088) 3.260 8.825 ( -1.034 0.000 4.252) 4.376 8.867 ( -1.787 0.000 0.757) 1.941 8.978 ( -1.498 0.000 -0.540) 1.593 9.047 ( -3.607 0.000 -0.844) 3.704 9.059 ( -1.697 0.000 0.105) 1.700 9.152 ( -3.229 0.000 0.062) 3.230 9.213 ( -3.778 0.000 0.607) 3.826 9.225 ( -5.340 0.000 0.522) 5.365 9.321 ( -7.807 0.000 0.247) 7.811 9.348 ( 3.082 0.000 -0.270) 3.094 9.683 ( -0.510 0.000 -2.580) 2.630 9.751 ( 7.784 0.000 0.913) 7.837 9.753 ( 12.687 0.000 0.329) 12.691 9.785 ( 6.249 0.000 0.737) 6.293 9.880 ( 12.920 0.000 -2.016) 13.076 10.137 ( 7.418 0.000 0.106) 7.418 10.170 ( 5.998 0.000 -1.034) 6.087 10.291 ( 5.838 0.000 2.202) 6.239 10.513 ( 1.430 0.000 -1.153) 1.836 10.532 ( 5.149 0.000 2.386) 5.675 10.677 ( 0.835 0.000 -0.833) 1.179 10.728 ( 4.542 0.000 0.248) 4.549 11.443 ( -11.779 0.000 0.428) 11.787 11.468 ( -8.941 0.000 -1.029) 9.000 11.501 ( -6.153 0.000 -0.153) 6.155 11.524 ( -5.250 0.000 0.977) 5.340 11.901 ( 1.492 0.000 0.455) 1.560 11.938 ( 0.798 0.000 0.102) 0.805 11.968 ( -1.056 0.000 1.481) 1.819 12.024 ( 2.918 0.000 -0.128) 2.921 12.128 ( -0.714 0.000 1.198) 1.395 12.170 ( -2.540 0.000 -0.464) 2.582 12.274 ( -0.456 0.000 -0.396) 0.604 12.287 ( -2.352 0.000 -1.885) 3.014 12.593 ( -3.256 0.000 0.778) 3.347 12.653 ( -3.160 0.000 0.238) 3.169 12.835 ( -1.049 0.000 -0.880) 1.370 12.840 ( 1.195 0.000 0.149) 1.204 13.246 ( -2.907 0.000 0.412) 2.936 13.291 ( -1.492 0.000 -0.636) 1.621 13.684 ( -3.942 0.000 0.425) 3.965 13.751 ( 10.178 0.000 -0.040) 10.178 13.769 ( -4.017 0.000 -0.671) 4.072 14.044 ( -3.750 0.000 6.206) 7.251 14.141 ( -2.750 0.000 -2.181) 3.510 14.209 ( 3.201 0.000 -0.266) 3.212 14.246 ( -1.440 0.000 -0.467) 1.514 14.298 ( 1.378 0.000 -0.008) 1.378 14.606 ( 4.178 0.000 -0.936) 4.282 14.720 ( 3.339 0.000 0.149) 3.342 14.925 ( -9.947 0.000 0.453) 9.957 15.060 ( -5.322 0.000 -2.295) 5.795 15.257 ( -6.605 0.000 1.494) 6.772 15.275 ( -5.365 0.000 -0.240) 5.370 15.315 ( -4.037 0.000 -0.427) 4.060 15.348 ( -3.651 0.000 0.937) 3.770 15.480 ( 0.267 0.000 0.352) 0.442 15.544 ( 0.080 0.000 -0.553) 0.559 15.701 ( -9.441 0.000 -1.515) 9.562 15.740 ( -4.428 0.000 -1.159) 4.577 15.902 ( 0.579 0.000 1.938) 2.022 16.092 ( 1.652 0.000 -1.172) 2.025 16.332 ( -1.648 0.000 0.163) 1.656 16.387 ( -1.793 0.000 -0.942) 2.025 16.453 ( -3.193 0.000 0.900) 3.317 16.754 ( 11.262 0.000 4.888) 12.278 17.131 ( -0.786 0.000 0.751) 1.087 17.145 ( 0.204 0.000 -0.679) 0.709 17.169 ( -1.947 0.000 -0.085) 1.949 17.250 ( -0.646 0.000 -0.318) 0.720 19.659 ( -6.527 0.000 0.222) 6.531 19.844 ( -2.436 0.000 -1.323) 2.772 19.881 ( -8.050 0.000 1.737) 8.235 19.987 ( -7.436 0.000 2.687) 7.907 20.364 ( 8.985 0.000 1.967) 9.198 20.426 ( 8.025 0.000 -0.825) 8.067 20.699 ( 6.403 0.000 1.427) 6.560 20.708 ( 5.979 0.000 -1.602) 6.190 21.756 ( -9.750 0.000 -2.887) 10.169 21.780 ( -11.499 0.000 -1.443) 11.589 21.932 ( -9.585 0.000 0.859) 9.624 21.954 ( -10.467 0.000 0.824) 10.499 22.775 ( 8.018 0.000 3.466) 8.735 22.804 ( 12.464 0.000 -3.675) 12.994 22.925 ( 8.244 0.000 2.976) 8.765 23.005 ( 9.528 0.000 -0.828) 9.564 26.865 ( -16.723 0.000 0.082) 16.723 26.971 ( -20.332 0.000 1.047) 20.359 27.033 ( -22.289 0.000 -1.651) 22.350 28.137 ( -2.205 0.000 11.333) 11.546 28.675 ( 24.237 0.000 0.110) 24.237 28.722 ( 21.307 0.000 -1.359) 21.350 29.088 ( 18.629 0.000 -0.975) 18.654 29.166 ( 18.791 0.000 -0.161) 18.792 30.179 ( -16.875 0.000 -0.340) 16.878 30.278 ( -16.168 0.000 1.565) 16.244 30.540 ( -9.371 0.000 0.095) 9.372 30.647 ( -8.566 0.000 -1.476) 8.692 30.675 ( -2.884 0.000 -0.194) 2.891 30.747 ( -6.134 0.000 1.316) 6.274 30.989 ( -13.010 0.000 1.261) 13.070 31.364 ( 8.961 0.000 -1.536) 9.092 31.407 ( 6.485 0.000 0.287) 6.491 31.563 ( 10.028 0.000 7.308) 12.408 31.694 ( 5.997 0.000 -0.249) 6.002 31.811 ( 8.476 0.000 0.964) 8.531 31.873 ( -1.127 0.000 -0.538) 1.248 32.196 ( 0.501 0.000 13.916) 13.925 32.222 ( -8.428 0.000 0.120) 8.429 32.547 ( -8.021 0.000 -3.757) 8.857 32.594 ( -13.801 0.000 1.022) 13.839 32.791 ( -13.905 0.000 1.021) 13.943 32.830 ( -14.429 0.000 -0.491) 14.437 33.131 ( 7.557 0.000 2.121) 7.850 33.258 ( 4.412 0.000 -1.178) 4.567 33.700 ( 17.732 0.000 10.382) 20.548 33.704 ( 8.590 0.000 1.241) 8.680 33.771 ( 9.567 0.000 2.752) 9.955 34.778 ( -0.676 0.000 3.296) 3.365 34.843 ( -0.654 0.000 2.112) 2.211 34.851 ( -2.108 0.000 -8.047) 8.319 34.894 ( 0.476 0.000 -6.216) 6.234 35.375 ( -1.838 0.000 -1.430) 2.329 35.411 ( -2.455 0.000 -2.634) 3.601 35.480 ( -4.198 0.000 -2.523) 4.898 35.537 ( 1.225 0.000 1.698) 2.094 35.603 ( 2.395 0.000 -6.204) 6.650 35.644 ( -3.342 0.000 0.319) 3.357 35.713 ( -1.464 0.000 -9.505) 9.617 35.802 ( 3.489 0.000 -6.225) 7.136 36.270 ( -15.897 0.000 -2.811) 16.144 36.829 ( -11.419 0.000 0.876) 11.453 37.558 ( 14.054 0.000 1.872) 14.178 38.176 ( 19.533 0.000 -0.353) 19.536 ======================= Grid point 52 (23/63) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -23.703 0.000 17.101) 29.229 0.590 ( -29.320 0.000 8.995) 30.669 0.900 ( -46.479 0.000 11.734) 47.938 1.580 ( -9.374 0.000 -0.206) 9.376 1.628 ( -3.924 0.000 9.335) 10.126 1.955 ( 7.170 0.000 3.579) 8.014 2.106 ( 4.466 0.000 5.783) 7.306 2.120 ( -4.227 0.000 5.425) 6.877 2.200 ( -3.229 0.000 -0.087) 3.231 2.267 ( -2.264 0.000 -5.790) 6.217 2.407 ( 1.837 0.000 0.102) 1.840 2.465 ( 1.648 0.000 0.718) 1.797 2.521 ( 0.131 0.000 7.422) 7.423 2.706 ( -3.806 0.000 -2.610) 4.615 2.774 ( 8.824 0.000 -9.456) 12.934 2.828 ( -5.733 0.000 -3.142) 6.538 2.834 ( -5.030 0.000 -3.713) 6.252 2.962 ( -3.531 0.000 4.130) 5.433 2.978 ( -2.186 0.000 -0.742) 2.308 3.014 ( 3.563 0.000 -5.033) 6.167 3.122 ( 0.181 0.000 -1.138) 1.152 3.196 ( 3.889 0.000 6.119) 7.250 3.238 ( 1.728 0.000 3.560) 3.957 3.279 ( -11.639 0.000 2.971) 12.013 3.316 ( -2.064 0.000 -4.553) 4.999 3.413 ( -3.226 0.000 0.340) 3.244 3.451 ( -5.220 0.000 0.784) 5.278 3.514 ( -3.349 0.000 0.662) 3.414 3.555 ( 0.217 0.000 -2.613) 2.622 3.651 ( -3.645 0.000 -2.843) 4.623 3.783 ( 2.939 0.000 4.588) 5.449 3.834 ( -10.512 0.000 -2.541) 10.815 3.865 ( 2.148 0.000 7.613) 7.910 3.913 ( -4.359 0.000 -6.910) 8.170 4.119 ( 1.157 0.000 -3.432) 3.621 4.150 ( 2.729 0.000 2.033) 3.403 4.234 ( -1.485 0.000 0.104) 1.488 4.295 ( -2.965 0.000 -3.921) 4.916 4.388 ( 3.722 0.000 4.213) 5.622 4.422 ( 5.541 0.000 -5.972) 8.146 4.483 ( 0.817 0.000 -6.089) 6.144 4.622 ( 4.012 0.000 -4.727) 6.200 4.634 ( -1.368 0.000 -1.936) 2.370 4.752 ( 3.155 0.000 1.035) 3.320 4.762 ( 0.542 0.000 2.317) 2.380 4.848 ( 2.673 0.000 -1.110) 2.895 4.925 ( -1.348 0.000 -6.611) 6.747 4.951 ( -2.821 0.000 -0.107) 2.823 4.968 ( 4.508 0.000 7.589) 8.827 4.974 ( -0.603 0.000 -6.029) 6.059 5.127 ( -1.613 0.000 5.761) 5.983 5.144 ( 2.831 0.000 -1.736) 3.321 5.203 ( 0.808 0.000 -2.039) 2.194 5.261 ( -3.243 0.000 -0.416) 3.269 5.346 ( 2.787 0.000 -0.967) 2.950 5.364 ( -5.577 0.000 -16.611) 17.522 5.473 ( 4.424 0.000 2.998) 5.344 5.494 ( -1.195 0.000 1.081) 1.611 5.663 ( 1.420 0.000 -0.422) 1.482 5.739 ( -1.921 0.000 1.071) 2.199 5.801 ( 0.553 0.000 -1.033) 1.172 5.835 ( -4.445 0.000 2.942) 5.330 5.909 ( -1.532 0.000 -1.640) 2.244 5.945 ( 11.039 0.000 26.028) 28.273 6.086 ( -1.579 0.000 6.795) 6.976 6.100 ( 2.844 0.000 0.219) 2.852 6.137 ( 1.862 0.000 -3.077) 3.596 6.363 ( 5.223 0.000 1.073) 5.332 6.453 ( 2.090 0.000 0.158) 2.096 6.470 ( -2.844 0.000 5.665) 6.339 6.546 ( -1.542 0.000 -1.098) 1.893 6.562 ( -4.033 0.000 -1.879) 4.449 6.764 ( -1.081 0.000 1.916) 2.200 6.765 ( 4.080 0.000 -1.419) 4.320 6.902 ( 8.841 0.000 8.399) 12.194 7.096 ( -0.199 0.000 2.559) 2.566 7.964 ( 12.006 0.000 -0.802) 12.033 8.104 ( 17.279 0.000 -1.089) 17.313 8.303 ( 14.103 0.000 -1.694) 14.205 8.347 ( 10.376 0.000 4.118) 11.163 8.562 ( -1.562 0.000 -2.323) 2.800 8.781 ( -3.400 0.000 1.520) 3.725 8.829 ( -5.343 0.000 2.559) 5.924 8.840 ( -0.766 0.000 0.611) 0.980 8.968 ( -4.922 0.000 0.037) 4.922 8.969 ( -0.686 0.000 1.952) 2.069 9.015 ( -1.956 0.000 -1.075) 2.232 9.064 ( -3.850 0.000 -1.135) 4.014 9.160 ( -2.755 0.000 -0.389) 2.782 9.174 ( -4.342 0.000 3.184) 5.384 9.226 ( -0.447 0.000 -2.023) 2.072 9.386 ( 2.205 0.000 -1.210) 2.515 9.645 ( -2.021 0.000 1.987) 2.834 9.845 ( 3.988 0.000 -1.298) 4.194 9.916 ( 8.245 0.000 0.517) 8.262 9.978 ( 7.890 0.000 2.160) 8.181 10.060 ( 9.682 0.000 -2.009) 9.888 10.225 ( 4.348 0.000 -2.207) 4.876 10.334 ( 10.649 0.000 0.157) 10.650 10.386 ( 3.068 0.000 0.419) 3.096 10.533 ( 2.073 0.000 -0.330) 2.099 10.628 ( 3.364 0.000 -1.633) 3.739 10.686 ( 1.656 0.000 1.201) 2.045 10.814 ( 3.806 0.000 0.384) 3.826 11.226 ( -12.671 0.000 0.468) 12.679 11.280 ( -9.881 0.000 -2.927) 10.305 11.414 ( -3.656 0.000 0.082) 3.657 11.462 ( -3.033 0.000 0.386) 3.058 11.895 ( -2.224 0.000 1.774) 2.845 11.953 ( 1.633 0.000 -0.632) 1.751 12.037 ( 3.395 0.000 2.529) 4.233 12.080 ( 1.825 0.000 0.432) 1.875 12.116 ( -0.077 0.000 -0.995) 0.998 12.122 ( -1.405 0.000 0.260) 1.429 12.215 ( -2.292 0.000 -1.723) 2.867 12.275 ( 1.055 0.000 -1.350) 1.714 12.541 ( -3.852 0.000 0.246) 3.859 12.588 ( -4.158 0.000 -0.019) 4.158 12.799 ( -1.139 0.000 -0.339) 1.188 12.856 ( 0.327 0.000 0.207) 0.387 13.210 ( -2.074 0.000 0.710) 2.192 13.272 ( 0.241 0.000 -0.976) 1.005 13.435 ( -13.931 0.000 0.705) 13.949 13.921 ( 7.880 0.000 -0.635) 7.906 13.927 ( 11.424 0.000 -0.065) 11.424 13.993 ( -6.672 0.000 -9.207) 11.371 14.158 ( 4.352 0.000 3.959) 5.884 14.241 ( 0.044 0.000 -0.562) 0.563 14.249 ( 1.551 0.000 1.474) 2.139 14.352 ( 6.525 0.000 -1.015) 6.603 14.653 ( 1.943 0.000 -0.059) 1.944 14.671 ( -10.462 0.000 0.170) 10.464 14.772 ( -4.480 0.000 0.043) 4.480 14.841 ( -13.546 0.000 -7.334) 15.404 15.064 ( -12.920 0.000 0.076) 12.920 15.135 ( -9.376 0.000 -0.301) 9.381 15.208 ( -11.085 0.000 1.763) 11.225 15.306 ( -2.082 0.000 -11.382) 11.571 15.519 ( 2.635 0.000 0.727) 2.733 15.574 ( 4.872 0.000 -0.035) 4.872 15.633 ( 2.063 0.000 0.419) 2.105 15.730 ( 1.978 0.000 0.545) 2.052 15.833 ( -8.981 0.000 -6.098) 10.855 16.109 ( 4.486 0.000 -6.157) 7.618 16.274 ( -3.579 0.000 -0.037) 3.579 16.336 ( -3.544 0.000 0.049) 3.545 16.401 ( -3.890 0.000 1.629) 4.218 16.832 ( -4.705 0.000 -25.551) 25.981 17.123 ( -0.525 0.000 0.111) 0.536 17.138 ( -0.059 0.000 -1.534) 1.536 17.153 ( -0.672 0.000 1.100) 1.289 17.220 ( -1.440 0.000 -1.698) 2.227 19.604 ( -0.562 0.000 2.743) 2.800 19.736 ( -4.154 0.000 -2.479) 4.837 19.852 ( -0.678 0.000 1.488) 1.636 19.884 ( -5.513 0.000 -1.218) 5.646 20.516 ( 5.324 0.000 1.769) 5.611 20.538 ( 5.861 0.000 -0.313) 5.870 20.768 ( 0.472 0.000 -0.135) 0.491 20.780 ( 4.297 0.000 -1.319) 4.495 21.598 ( -7.315 0.000 -0.205) 7.318 21.622 ( -1.477 0.000 1.682) 2.238 21.803 ( -8.286 0.000 1.065) 8.354 21.810 ( -5.604 0.000 0.581) 5.634 22.940 ( 8.349 0.000 -4.280) 9.382 22.963 ( 7.353 0.000 5.590) 9.237 23.100 ( 6.377 0.000 3.563) 7.305 23.121 ( 5.330 0.000 -1.100) 5.442 26.635 ( -9.720 0.000 0.181) 9.722 26.683 ( -13.187 0.000 0.757) 13.209 26.695 ( -14.249 0.000 -0.886) 14.276 27.937 ( -24.370 0.000 -51.675) 57.134 29.080 ( 22.443 0.000 -0.085) 22.443 29.090 ( 23.012 0.000 0.168) 23.013 29.346 ( 11.110 0.000 0.390) 11.117 29.496 ( 19.011 0.000 -0.396) 19.015 29.858 ( -20.019 0.000 0.762) 20.034 29.982 ( -19.413 0.000 0.568) 19.422 30.302 ( -15.799 0.000 1.953) 15.919 30.568 ( -2.151 0.000 0.506) 2.210 30.623 ( -2.566 0.000 -1.827) 3.150 30.664 ( -4.486 0.000 -0.997) 4.596 30.816 ( -8.069 0.000 0.866) 8.116 31.445 ( 0.923 0.000 -8.127) 8.179 31.461 ( 3.569 0.000 -0.571) 3.615 31.736 ( 0.572 0.000 -0.416) 0.707 31.742 ( -1.941 0.000 -24.850) 24.926 31.908 ( 6.480 0.000 -0.594) 6.507 31.982 ( 9.875 0.000 0.664) 9.898 32.092 ( -8.361 0.000 -28.900) 30.085 32.189 ( 3.830 0.000 0.031) 3.830 32.369 ( -13.694 0.000 2.376) 13.899 32.371 ( -8.694 0.000 0.519) 8.709 32.524 ( -16.460 0.000 -0.941) 16.487 32.572 ( -14.065 0.000 -1.333) 14.128 33.280 ( 5.736 0.000 1.137) 5.847 33.324 ( 2.862 0.000 1.255) 3.126 33.816 ( 5.062 0.000 -2.991) 5.880 33.872 ( 4.844 0.000 -2.422) 5.416 34.011 ( 13.499 0.000 -22.967) 26.640 34.740 ( -0.688 0.000 -1.103) 1.300 34.763 ( 0.396 0.000 -5.414) 5.428 34.796 ( -1.423 0.000 2.608) 2.971 34.855 ( -1.498 0.000 3.552) 3.855 35.334 ( -5.894 0.000 -10.146) 11.733 35.334 ( -0.816 0.000 -1.210) 1.459 35.365 ( -1.658 0.000 0.925) 1.898 35.425 ( -1.918 0.000 2.277) 2.977 35.475 ( -3.636 0.000 -3.441) 5.006 35.604 ( -1.968 0.000 0.772) 2.114 35.743 ( -1.566 0.000 17.250) 17.321 35.953 ( 3.230 0.000 11.885) 12.316 36.076 ( -7.913 0.000 4.067) 8.897 37.180 ( 29.637 0.000 72.646) 78.459 37.739 ( 7.692 0.000 -3.812) 8.585 38.443 ( 12.133 0.000 -1.622) 12.241 ======================= Grid point 53 (24/63) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -4.166 26.406 9.239) 28.284 1.033 ( 0.810 20.493 29.147) 35.640 1.178 ( 0.083 35.933 23.656) 43.021 1.526 ( 3.401 7.123 -6.426) 10.179 1.710 ( 1.039 -13.816 22.288) 26.244 1.769 ( -8.837 -18.927 4.234) 21.313 2.009 ( 2.786 -5.824 -3.229) 7.218 2.196 ( -3.780 1.979 -8.167) 9.215 2.230 ( -2.318 3.615 1.767) 4.643 2.306 ( 2.842 4.105 2.917) 5.783 2.447 ( 4.449 -5.760 -0.350) 7.287 2.511 ( -1.256 -6.508 -1.912) 6.898 2.564 ( -3.682 -6.722 -0.583) 7.686 2.642 ( 4.013 4.590 3.886) 7.230 2.699 ( -0.183 -1.772 4.331) 4.683 2.740 ( 0.283 -3.131 -3.426) 4.650 2.789 ( 3.177 0.512 1.894) 3.734 2.882 ( 0.366 4.304 -2.386) 4.935 2.938 ( -5.588 4.241 -4.783) 8.490 3.034 ( 1.720 -1.773 -3.451) 4.244 3.108 ( 1.720 -4.452 -0.882) 4.853 3.133 ( -0.421 -2.488 -0.878) 2.672 3.253 ( -0.483 -1.127 1.908) 2.268 3.291 ( -5.022 2.327 3.273) 6.430 3.354 ( -0.100 2.104 -0.327) 2.132 3.394 ( -0.176 5.111 -2.486) 5.687 3.411 ( -1.636 -2.201 1.973) 3.378 3.508 ( 1.302 -0.710 1.784) 2.320 3.568 ( 2.201 0.949 4.540) 5.134 3.656 ( 1.779 3.154 -1.853) 4.067 3.710 ( -2.229 3.662 -2.627) 5.028 3.801 ( -1.125 3.410 3.613) 5.094 3.856 ( -3.294 2.404 1.489) 4.341 3.952 ( -6.664 -4.456 1.642) 8.183 4.065 ( -0.134 0.954 -2.539) 2.715 4.095 ( 2.088 -2.172 2.689) 4.038 4.165 ( 0.428 -2.948 -1.518) 3.343 4.246 ( 2.203 0.115 -0.583) 2.282 4.341 ( 4.034 -5.313 0.464) 6.687 4.390 ( 3.043 -3.003 -1.879) 4.670 4.518 ( 5.342 2.170 -6.102) 8.395 4.614 ( -2.150 1.481 -0.686) 2.700 4.694 ( 2.180 -1.881 -1.407) 3.204 4.719 ( 2.530 -3.473 -11.313) 12.101 4.779 ( -1.369 2.455 -3.055) 4.151 4.841 ( -3.319 0.669 -0.896) 3.502 4.867 ( -1.802 0.517 -3.451) 3.927 4.910 ( -2.738 6.577 -5.609) 9.068 4.971 ( 0.616 1.285 2.765) 3.110 5.028 ( 0.283 0.162 4.008) 4.021 5.054 ( 2.956 2.474 -1.895) 4.295 5.179 ( -0.830 1.746 1.984) 2.770 5.204 ( -0.653 0.948 -0.226) 1.174 5.236 ( 1.186 5.147 1.145) 5.405 5.411 ( -0.872 8.972 -10.689) 13.983 5.421 ( -0.563 -3.105 0.386) 3.179 5.453 ( 1.680 1.005 0.052) 1.958 5.506 ( 0.962 -1.647 1.051) 2.178 5.664 ( 2.231 -6.828 -0.156) 7.185 5.699 ( -1.594 -3.588 -1.555) 4.223 5.752 ( 0.926 0.710 2.048) 2.357 5.806 ( 0.532 -2.145 4.035) 4.601 5.895 ( -2.401 -0.061 4.167) 4.810 5.989 ( -2.481 -7.559 0.906) 8.007 6.103 ( -0.176 -1.396 -0.237) 1.426 6.173 ( -2.198 -4.406 8.873) 10.148 6.210 ( 0.787 3.531 -1.324) 3.852 6.366 ( 1.148 -0.546 -1.431) 1.914 6.483 ( -2.237 -1.509 3.587) 4.489 6.548 ( 2.104 0.122 0.714) 2.225 6.581 ( 2.519 -1.718 -0.869) 3.170 6.624 ( 2.996 -4.716 -0.185) 5.590 6.783 ( -1.791 3.204 0.069) 3.672 6.847 ( 2.613 4.251 -1.854) 5.324 7.029 ( -2.128 -6.816 1.974) 7.408 7.171 ( 1.226 -20.081 5.377) 20.825 8.149 ( -0.525 4.703 1.166) 4.873 8.278 ( 0.180 0.335 -1.925) 1.963 8.364 ( -2.006 -4.050 1.322) 4.709 8.397 ( 1.350 -6.131 0.480) 6.297 8.592 ( 4.382 4.583 0.431) 6.356 8.679 ( -3.685 0.393 -1.394) 3.959 8.730 ( -2.855 -1.569 1.414) 3.551 8.817 ( 2.064 -3.984 -1.322) 4.678 8.899 ( -2.063 2.186 0.943) 3.150 8.955 ( -0.840 1.505 -1.055) 2.020 9.023 ( -0.050 0.691 -0.695) 0.982 9.064 ( 1.956 0.550 -1.171) 2.345 9.085 ( -1.268 -2.910 -0.378) 3.196 9.148 ( -1.363 -1.171 3.163) 3.637 9.227 ( 1.004 1.538 -2.114) 2.800 9.364 ( 1.027 -3.218 -2.423) 4.157 9.691 ( -0.894 2.255 3.717) 4.439 9.844 ( 1.324 -4.562 0.510) 4.777 10.019 ( 0.903 2.366 -0.295) 2.550 10.101 ( -0.263 0.834 1.532) 1.764 10.155 ( -0.645 3.090 -1.466) 3.480 10.256 ( 0.360 2.982 -4.040) 5.034 10.370 ( 0.135 -3.876 -0.666) 3.935 10.381 ( 0.203 -2.705 -1.262) 2.992 10.541 ( -1.177 2.621 1.235) 3.128 10.647 ( 0.508 1.628 -1.807) 2.485 10.713 ( -1.059 -1.776 0.742) 2.197 10.809 ( -0.792 -2.360 -1.392) 2.852 11.129 ( 1.327 3.191 0.090) 3.457 11.145 ( -0.545 5.143 -0.377) 5.186 11.334 ( 1.174 -5.546 0.583) 5.699 11.395 ( -0.814 -4.428 -0.860) 4.584 11.896 ( -1.865 1.477 1.868) 3.024 11.983 ( 1.405 -1.931 0.551) 2.450 12.023 ( -1.411 1.125 -0.246) 1.822 12.096 ( -1.205 -0.039 -0.205) 1.223 12.153 ( 0.103 1.574 0.052) 1.578 12.180 ( -1.700 1.880 0.281) 2.550 12.220 ( 1.934 5.181 -0.093) 5.530 12.329 ( 1.592 2.381 -0.912) 3.006 12.566 ( -0.457 5.864 0.280) 5.889 12.666 ( 0.569 4.181 -2.728) 5.025 12.767 ( -0.514 -3.337 1.135) 3.562 12.818 ( 0.766 -3.657 -0.100) 3.738 13.208 ( -0.039 1.529 0.295) 1.558 13.244 ( 0.692 -1.589 -0.747) 1.887 13.257 ( -0.439 -0.739 0.652) 1.079 13.283 ( -0.783 -1.404 0.108) 1.611 14.155 ( 0.878 12.562 0.513) 12.603 14.205 ( 0.149 2.649 -0.447) 2.691 14.229 ( -3.547 0.564 -0.087) 3.593 14.278 ( 2.583 2.727 -0.696) 3.820 14.418 ( -0.101 -0.548 -0.248) 0.610 14.507 ( -6.503 3.192 -4.266) 8.407 14.557 ( 2.037 1.525 1.297) 2.856 14.638 ( 2.251 -1.693 0.641) 2.889 14.705 ( -0.334 0.994 0.300) 1.091 14.846 ( 7.968 4.482 -7.151) 11.607 14.898 ( -2.416 -5.896 0.020) 6.372 14.998 ( 2.152 -0.892 -2.310) 3.281 15.073 ( -3.601 8.097 1.723) 9.028 15.404 ( 6.586 21.829 -16.548) 28.173 15.551 ( 2.289 0.918 -0.150) 2.471 15.627 ( -2.338 -0.303 -0.793) 2.488 15.673 ( 2.178 0.170 0.291) 2.204 15.681 ( -0.822 0.933 -0.937) 1.557 15.748 ( -2.486 0.132 0.031) 2.490 16.064 ( 1.897 -3.166 -4.918) 6.149 16.261 ( 0.347 0.462 1.376) 1.493 16.302 ( -5.532 -1.144 -1.146) 5.764 16.308 ( 0.366 0.688 0.206) 0.806 16.371 ( -0.905 -2.044 0.462) 2.283 17.135 ( 0.077 1.108 -0.339) 1.161 17.142 ( 0.447 0.497 -0.046) 0.670 17.168 ( -0.457 0.663 1.144) 1.399 17.206 ( 0.580 -0.875 0.238) 1.076 19.590 ( -1.041 0.700 0.459) 1.336 19.678 ( 0.822 0.050 -3.302) 3.403 19.812 ( -0.196 -3.037 0.991) 3.201 19.821 ( -0.698 -3.030 0.798) 3.210 20.575 ( -1.297 0.714 0.894) 1.729 20.601 ( 0.700 -0.301 0.561) 0.946 20.782 ( -0.183 0.240 0.342) 0.456 20.817 ( 0.844 -0.591 -0.890) 1.361 21.574 ( 1.219 1.869 0.343) 2.257 21.652 ( 2.814 -2.039 -0.436) 3.503 21.724 ( -2.591 -0.732 1.634) 3.149 21.750 ( -0.349 -0.924 0.232) 1.015 22.918 ( -1.848 -1.707 -0.970) 2.696 22.964 ( 1.882 -1.978 -3.699) 4.597 23.180 ( -1.697 -0.109 2.076) 2.684 23.184 ( -1.012 -0.246 1.256) 1.632 26.544 ( 0.153 0.209 -0.588) 0.642 26.551 ( -0.998 0.032 -0.975) 1.395 26.594 ( 1.219 0.386 0.417) 1.345 26.595 ( 0.467 0.097 0.516) 0.702 29.392 ( -0.164 0.936 1.193) 1.525 29.429 ( -2.110 0.103 2.098) 2.978 29.502 ( 5.845 2.816 -0.329) 6.497 29.632 ( -1.750 6.760 2.373) 7.375 29.680 ( -0.779 -0.086 -1.742) 1.910 30.084 ( -1.533 -5.584 5.183) 7.771 30.475 ( -3.747 13.405 -12.183) 18.498 30.534 ( 0.168 -0.184 0.863) 0.898 30.612 ( 2.841 7.695 -8.273) 11.650 30.630 ( -0.975 3.071 -3.299) 4.612 30.768 ( 2.825 5.635 -3.340) 7.134 30.962 ( -1.437 -2.026 -2.427) 3.472 31.524 ( -1.178 3.957 0.326) 4.142 31.722 ( -0.072 -3.534 2.206) 4.167 31.928 ( 0.154 33.201 -29.194) 44.211 32.084 ( 6.139 2.739 -2.079) 7.037 32.111 ( 2.018 1.533 -0.203) 2.542 32.119 ( -6.898 -0.738 0.910) 6.997 32.187 ( 7.821 0.355 -2.323) 8.166 32.263 ( -5.908 1.294 -0.913) 6.116 32.285 ( -3.889 -1.068 0.447) 4.058 32.335 ( -2.947 -0.555 -1.749) 3.471 32.443 ( 5.102 13.453 -13.285) 19.583 33.178 ( -1.626 -6.345 -21.506) 22.481 33.398 ( -0.610 2.269 0.097) 2.351 33.600 ( -1.801 -6.003 -28.948) 29.619 33.816 ( 0.059 1.253 -6.486) 6.606 33.870 ( -0.124 -1.190 -5.007) 5.148 34.797 ( -1.398 0.530 2.143) 2.614 34.825 ( 2.852 -0.591 4.044) 4.983 34.875 ( 3.776 0.302 1.274) 3.997 34.883 ( 1.719 0.200 2.582) 3.109 35.302 ( 1.645 2.138 -1.021) 2.884 35.340 ( 1.130 1.672 -1.301) 2.401 35.379 ( 1.594 -0.647 2.368) 2.927 35.421 ( 0.353 -1.897 -0.501) 1.994 35.469 ( 0.670 0.676 5.928) 6.004 35.562 ( 0.817 -3.617 3.869) 5.359 35.922 ( 2.164 1.010 -3.233) 4.019 35.975 ( 0.260 -1.613 -3.916) 4.243 36.330 ( -3.380 12.081 40.065) 41.983 37.354 ( -4.339 -40.639 38.960) 56.464 38.076 ( -1.249 -0.412 -0.740) 1.509 38.441 ( 0.492 -9.123 -3.609) 9.824 ======================= Grid point 54 (25/63) ======================= q-point: ( 0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 15.746 9.835 15.408) 24.126 1.353 ( 7.435 19.016 12.533) 23.957 1.580 ( 12.187 2.736 -4.769) 13.370 1.664 ( -0.786 -7.914 1.808) 8.155 1.749 ( 12.030 8.848 30.707) 34.146 1.966 ( 0.791 -3.397 -0.578) 3.535 2.016 ( 5.609 -0.271 -3.598) 6.669 2.065 ( -2.778 -9.106 6.318) 11.426 2.235 ( 0.816 -1.531 3.594) 3.991 2.418 ( -0.081 1.124 0.608) 1.281 2.463 ( 5.178 2.937 3.306) 6.809 2.497 ( -1.152 -4.849 -2.229) 5.459 2.568 ( 1.806 -5.135 1.766) 5.722 2.626 ( -4.666 -3.068 -2.851) 6.270 2.734 ( -4.832 3.503 3.967) 7.166 2.761 ( 4.442 4.569 2.495) 6.844 2.802 ( -0.036 1.967 -1.061) 2.235 2.882 ( 0.101 -2.735 -0.047) 2.737 2.919 ( 1.290 -0.892 -1.440) 2.130 3.031 ( 6.086 -0.459 1.198) 6.220 3.127 ( 1.302 -5.732 -3.151) 6.670 3.152 ( 2.654 -2.907 -1.087) 4.084 3.259 ( 4.065 5.811 -6.156) 9.390 3.275 ( -2.322 2.539 -0.896) 3.555 3.353 ( 2.374 4.947 7.676) 9.436 3.373 ( -0.307 1.402 -1.895) 2.377 3.457 ( 4.377 4.489 -4.245) 7.572 3.488 ( -1.950 -3.891 1.188) 4.512 3.622 ( -0.783 5.155 0.433) 5.232 3.680 ( 7.068 -1.265 -0.134) 7.182 3.760 ( 4.806 -5.977 -0.059) 7.670 3.805 ( -1.589 1.733 2.552) 3.470 3.846 ( -3.113 2.374 -1.939) 4.368 3.909 ( 4.787 0.294 6.990) 8.477 4.074 ( -0.925 -2.787 1.554) 3.322 4.087 ( 1.440 -3.628 -1.494) 4.179 4.250 ( 1.817 -1.488 -2.657) 3.546 4.261 ( 3.223 -3.401 -3.590) 5.902 4.365 ( 4.368 3.201 -4.302) 6.916 4.427 ( -2.960 3.719 1.263) 4.918 4.514 ( 0.308 3.422 -3.619) 4.991 4.537 ( 1.609 3.267 -5.832) 6.875 4.608 ( 0.536 1.627 -5.623) 5.878 4.658 ( 0.418 1.120 -2.881) 3.119 4.680 ( -3.517 0.617 -3.838) 5.242 4.769 ( -4.140 -0.811 1.185) 4.382 4.810 ( -0.603 -0.772 0.123) 0.987 4.847 ( -2.714 -0.914 -0.923) 3.008 4.998 ( -3.354 3.471 0.222) 4.832 5.039 ( 2.852 5.283 -3.116) 6.764 5.096 ( 0.416 0.465 -2.076) 2.168 5.187 ( 1.445 -1.441 1.277) 2.407 5.221 ( -1.347 0.929 -1.571) 2.268 5.266 ( 2.486 4.576 0.497) 5.231 5.322 ( -0.502 3.441 3.247) 4.757 5.360 ( -2.880 -3.362 -2.952) 5.321 5.487 ( 2.564 -0.132 -2.018) 3.265 5.542 ( -1.464 -1.451 -0.250) 2.076 5.612 ( -2.351 -2.670 -2.303) 4.238 5.705 ( 2.613 -3.609 0.407) 4.474 5.840 ( 0.700 0.108 3.315) 3.390 5.872 ( 1.470 -4.365 3.146) 5.578 5.908 ( -1.114 -4.337 -0.577) 4.514 5.968 ( 0.962 -1.133 3.136) 3.471 6.042 ( -1.298 2.299 -2.666) 3.752 6.159 ( -4.449 1.400 2.175) 5.146 6.209 ( -4.137 -3.845 3.960) 6.898 6.347 ( -2.441 -0.270 -1.516) 2.886 6.475 ( -5.709 -5.625 2.687) 8.453 6.517 ( -2.168 -3.748 0.016) 4.330 6.643 ( 5.136 0.667 -0.696) 5.225 6.681 ( 1.529 -1.656 1.264) 2.584 6.744 ( -2.442 2.185 -0.828) 3.380 6.838 ( -2.060 3.213 -0.454) 3.844 6.976 ( -5.584 -8.153 1.337) 9.972 7.140 ( -6.648 -10.743 3.365) 13.074 8.018 ( -12.401 4.841 0.471) 13.321 8.080 ( -16.921 2.092 -1.589) 17.124 8.197 ( -15.610 -3.387 0.456) 15.980 8.302 ( -10.727 -6.958 0.806) 12.811 8.662 ( 3.236 2.414 -3.473) 5.325 8.727 ( 5.596 3.573 3.236) 7.386 8.780 ( 4.318 -1.992 -0.057) 4.756 8.864 ( -3.411 2.001 1.155) 4.119 8.914 ( 8.478 -3.183 -0.158) 9.057 8.947 ( 0.841 0.184 -0.813) 1.184 9.024 ( 2.815 -0.786 -1.402) 3.242 9.098 ( 2.982 -3.183 -0.862) 4.446 9.105 ( 2.572 2.066 0.706) 3.374 9.161 ( -0.615 0.078 2.433) 2.511 9.239 ( 2.923 0.170 -1.117) 3.134 9.335 ( -0.263 -2.873 -2.513) 3.826 9.726 ( -0.318 2.271 3.052) 3.817 9.854 ( -2.612 -3.211 0.739) 4.204 9.970 ( -6.168 0.369 1.400) 6.336 10.023 ( -9.681 4.133 1.893) 10.695 10.047 ( -6.825 -0.921 -2.874) 7.462 10.161 ( -5.296 2.737 -3.730) 7.032 10.279 ( -7.326 -3.565 -0.002) 8.148 10.319 ( -5.541 -1.976 -1.550) 6.084 10.535 ( -2.651 1.958 0.780) 3.387 10.603 ( -1.722 3.973 -1.338) 4.532 10.698 ( -2.643 -3.815 1.128) 4.776 10.762 ( -2.234 -2.104 -0.510) 3.111 11.236 ( 10.409 2.598 -0.810) 10.759 11.264 ( 11.355 0.612 0.161) 11.373 11.401 ( 4.211 -3.138 -0.484) 5.274 11.403 ( 4.493 -3.494 0.276) 5.698 11.904 ( 0.997 2.098 1.303) 2.664 11.987 ( -2.051 0.400 1.402) 2.516 12.051 ( 4.136 -1.876 -0.122) 4.543 12.066 ( -2.911 1.619 1.325) 3.585 12.120 ( -3.460 3.110 -0.934) 4.745 12.145 ( -1.212 1.348 0.486) 1.877 12.232 ( -0.138 1.455 -0.153) 1.469 12.308 ( -1.513 1.139 -2.221) 2.919 12.587 ( 1.909 4.772 0.970) 5.230 12.650 ( 1.948 5.790 -1.515) 6.294 12.782 ( 0.796 -4.095 0.689) 4.229 12.834 ( 0.820 -2.195 -0.131) 2.346 13.231 ( 2.629 2.693 0.330) 3.777 13.274 ( 3.221 0.932 -0.450) 3.383 13.384 ( 11.034 -4.134 0.750) 11.807 13.448 ( 14.912 -7.115 -2.011) 16.644 14.072 ( -9.364 7.226 -1.002) 11.870 14.091 ( -9.025 10.964 0.293) 14.204 14.166 ( -3.475 -1.238 0.912) 3.800 14.272 ( -4.532 0.556 -0.396) 4.583 14.345 ( 0.003 5.870 1.523) 6.065 14.417 ( -0.122 7.305 -2.633) 7.766 14.667 ( 4.495 -0.379 -0.262) 4.519 14.716 ( 2.218 -0.432 0.146) 2.264 14.778 ( 8.225 3.282 1.075) 8.921 14.957 ( 10.952 3.853 -3.244) 12.055 15.030 ( 14.197 -3.587 -1.810) 14.754 15.068 ( 9.110 -3.415 -1.711) 9.879 15.158 ( 8.597 6.400 0.992) 10.764 15.367 ( 4.804 9.899 -6.494) 12.777 15.523 ( -5.104 -2.137 0.774) 5.587 15.576 ( -6.245 0.469 -0.241) 6.267 15.648 ( 2.320 2.325 0.115) 3.287 15.665 ( 2.042 -0.164 -1.865) 2.771 15.760 ( -0.388 -5.764 3.541) 6.776 15.977 ( -3.003 -6.246 -6.293) 9.361 16.318 ( 4.213 -0.369 -0.611) 4.273 16.347 ( 6.516 -1.018 0.758) 6.639 16.362 ( 3.521 1.172 0.722) 3.781 16.409 ( 5.075 -0.793 -1.979) 5.505 17.130 ( -0.119 1.090 -0.303) 1.137 17.146 ( 0.193 0.320 -0.092) 0.385 17.177 ( 0.067 0.688 0.907) 1.140 17.222 ( 0.865 -0.972 0.051) 1.302 19.598 ( 1.850 1.033 0.380) 2.152 19.682 ( 3.613 -1.248 -3.186) 4.976 19.830 ( 1.165 -2.249 0.883) 2.682 19.840 ( 2.133 -2.181 0.584) 3.106 20.511 ( -6.835 1.515 0.666) 7.033 20.572 ( -5.195 -1.041 1.133) 5.418 20.743 ( -3.695 0.938 -1.197) 3.996 20.791 ( -2.786 -1.010 -0.379) 2.988 21.669 ( 7.868 1.533 0.674) 8.045 21.718 ( 6.372 0.531 -2.266) 6.784 21.760 ( 4.949 -1.582 1.881) 5.526 21.796 ( 5.054 -1.018 0.556) 5.186 22.841 ( -5.309 0.196 -1.336) 5.478 22.915 ( -2.845 -2.751 -2.295) 4.574 23.098 ( -9.823 -0.208 2.120) 10.051 23.124 ( -7.221 -2.012 1.960) 7.748 26.641 ( 11.103 0.697 0.073) 11.125 26.659 ( 13.333 0.706 -0.183) 13.353 26.748 ( 15.837 0.123 0.940) 15.866 26.883 ( 27.504 -7.137 -8.338) 29.613 29.136 ( -22.488 6.039 0.090) 23.285 29.238 ( -21.524 6.899 -0.278) 22.604 29.363 ( -13.936 -3.428 2.061) 14.498 29.452 ( -16.694 -4.541 -0.920) 17.325 29.963 ( 19.595 9.699 2.914) 22.057 30.190 ( 10.940 14.461 -6.498) 19.262 30.425 ( 7.406 -0.041 5.256) 9.081 30.554 ( 2.291 -2.016 -0.304) 3.067 30.626 ( 3.405 1.743 -1.901) 4.272 30.645 ( 5.517 2.149 -1.697) 6.159 30.814 ( 5.801 2.200 -0.575) 6.231 31.000 ( 7.628 -3.467 -5.843) 10.215 31.506 ( -1.986 5.280 0.003) 5.641 31.664 ( -1.436 13.367 -5.803) 14.643 31.786 ( -5.784 -1.380 1.573) 6.151 31.950 ( -7.663 2.213 0.003) 7.976 31.974 ( -8.025 1.797 -0.559) 8.243 32.060 ( -7.767 0.039 0.222) 7.770 32.116 ( -2.772 -3.453 -0.469) 4.453 32.360 ( 11.877 -0.408 -0.042) 11.884 32.414 ( 9.360 -2.673 -3.993) 10.522 32.451 ( 13.911 -1.279 -5.624) 15.059 32.593 ( 13.861 0.874 -1.310) 13.950 32.749 ( 2.712 -7.101 -26.244) 27.323 33.397 ( -2.526 0.149 2.768) 3.750 33.421 ( -2.667 -0.743 -1.614) 3.205 33.714 ( -3.631 0.742 -4.249) 5.638 33.766 ( -4.222 -1.348 -5.376) 6.967 34.778 ( -2.673 1.574 0.770) 3.196 34.854 ( -2.136 -1.806 1.239) 3.059 34.937 ( 2.230 0.923 0.674) 2.506 34.959 ( 2.591 -0.190 2.826) 3.839 35.314 ( 2.457 3.074 -2.963) 4.926 35.367 ( 3.377 1.329 -1.007) 3.766 35.441 ( 3.165 -2.216 -1.031) 3.999 35.456 ( 4.729 -1.534 -0.101) 4.972 35.582 ( 2.699 0.927 7.535) 8.057 35.640 ( 0.741 -2.134 6.743) 7.112 35.884 ( 1.380 0.185 -6.472) 6.620 35.925 ( 2.259 -1.173 -6.915) 7.369 36.748 ( -3.334 12.478 33.422) 35.831 37.451 ( -10.571 -11.275 6.197) 16.652 37.900 ( -19.251 -2.861 6.974) 20.674 38.287 ( -11.607 -10.813 -5.767) 16.879 ======================= Grid point 55 (26/63) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 15.408 -0.398 17.947) 23.657 1.569 ( 8.529 7.622 3.256) 11.893 1.725 ( 4.488 -6.445 -1.028) 7.921 1.819 ( 13.270 6.738 -10.894) 18.444 1.894 ( 7.493 1.585 -6.076) 9.776 1.994 ( 4.452 -2.641 0.418) 5.193 2.124 ( 4.535 -4.760 -0.982) 6.647 2.276 ( 9.800 -7.713 6.249) 13.950 2.340 ( -7.076 -4.536 0.239) 8.408 2.372 ( 5.492 -1.055 6.292) 8.418 2.386 ( -2.453 1.481 -0.143) 2.869 2.550 ( 4.968 -1.590 3.473) 6.267 2.579 ( -3.294 -0.750 3.866) 5.134 2.699 ( -3.959 -0.320 -0.863) 4.065 2.728 ( 3.570 -0.072 -0.550) 3.613 2.755 ( -0.620 -0.109 4.982) 5.022 2.857 ( 1.387 2.006 1.602) 2.917 2.911 ( -1.523 0.131 2.322) 2.780 2.999 ( -0.459 1.573 -5.082) 5.339 3.032 ( -0.389 -2.271 -4.058) 4.666 3.101 ( 8.085 3.792 8.145) 12.086 3.170 ( 0.818 6.771 -1.407) 6.964 3.217 ( 7.257 -2.120 -0.003) 7.560 3.381 ( 3.837 -1.156 1.074) 4.149 3.392 ( 6.163 6.725 -0.499) 9.135 3.490 ( 6.401 6.481 0.677) 9.135 3.514 ( 1.325 1.109 0.861) 1.930 3.539 ( -4.352 0.897 0.465) 4.468 3.633 ( 10.858 5.306 4.251) 12.810 3.763 ( -0.647 4.654 -1.059) 4.817 3.800 ( -1.820 3.502 -0.587) 3.990 3.839 ( 8.987 -2.568 -3.953) 10.148 3.865 ( 1.459 1.980 3.787) 4.516 4.020 ( 1.054 -1.124 -2.559) 2.987 4.069 ( 1.643 -10.167 0.863) 10.335 4.156 ( 3.125 -4.060 1.106) 5.241 4.205 ( -1.407 3.677 -6.729) 7.796 4.227 ( 2.414 -3.678 -0.463) 4.424 4.298 ( -0.768 1.029 -3.097) 3.353 4.388 ( -1.275 -0.065 -2.124) 2.478 4.461 ( -1.451 0.331 1.286) 1.967 4.524 ( -2.665 0.807 -8.077) 8.543 4.584 ( 1.990 4.281 -3.528) 5.893 4.660 ( 3.202 4.335 2.629) 5.997 4.702 ( 2.514 -0.515 2.300) 3.446 4.752 ( 0.052 -0.511 6.341) 6.362 4.806 ( -0.216 -0.147 -1.510) 1.532 4.830 ( -0.581 0.730 2.506) 2.674 4.926 ( -2.985 1.007 -0.323) 3.167 5.009 ( 0.198 3.703 -5.015) 6.238 5.040 ( -2.903 4.243 -1.014) 5.240 5.129 ( -0.321 -1.013 -1.475) 1.818 5.219 ( -5.775 -3.243 -0.637) 6.653 5.288 ( -3.058 -0.358 2.479) 3.953 5.309 ( -2.791 2.136 3.042) 4.648 5.352 ( 1.401 -2.102 -0.852) 2.666 5.461 ( -3.517 -5.696 0.979) 6.765 5.487 ( 1.124 -0.609 -4.434) 4.615 5.594 ( 1.512 0.322 -3.410) 3.744 5.663 ( -5.026 -3.940 -3.675) 7.368 5.850 ( 1.595 -2.497 0.824) 3.076 5.896 ( 3.427 -3.514 -2.116) 5.345 5.948 ( -0.252 -0.809 2.514) 2.653 6.035 ( -3.051 -2.125 4.688) 5.983 6.076 ( 3.604 1.672 0.627) 4.022 6.101 ( -2.354 0.266 1.622) 2.871 6.174 ( -1.651 -0.565 1.092) 2.059 6.244 ( -3.733 -1.276 -1.943) 4.397 6.439 ( -0.108 -0.664 1.219) 1.392 6.514 ( -0.907 -2.688 2.510) 3.788 6.650 ( -2.639 1.359 -2.708) 4.018 6.698 ( -1.232 -0.332 0.034) 1.277 6.724 ( 1.743 -0.293 -0.330) 1.798 6.796 ( -0.016 2.323 -1.121) 2.579 6.878 ( -4.061 -4.003 -1.972) 6.033 7.064 ( -6.044 -5.424 2.086) 8.385 7.731 ( -18.813 2.992 -1.253) 19.090 7.802 ( -13.580 5.660 -0.236) 14.714 7.902 ( -17.900 -4.053 -0.445) 18.359 8.103 ( -12.733 -7.747 0.649) 14.919 8.677 ( 3.198 3.482 -2.737) 5.463 8.783 ( -1.593 1.179 1.567) 2.526 8.823 ( -3.495 1.196 2.181) 4.290 8.847 ( 2.029 -1.275 0.473) 2.443 8.977 ( 2.688 0.331 0.761) 2.813 9.044 ( 4.902 -2.781 0.665) 5.675 9.067 ( 3.047 -1.046 -1.410) 3.517 9.108 ( -0.287 -0.881 -0.598) 1.103 9.189 ( 5.489 0.329 1.024) 5.594 9.217 ( 4.716 -0.582 1.547) 4.997 9.293 ( 3.728 -1.258 -0.774) 4.010 9.312 ( 1.310 -1.989 -1.375) 2.750 9.702 ( -6.243 0.306 -0.070) 6.251 9.733 ( -10.383 -0.761 -0.017) 10.411 9.825 ( -11.168 1.477 0.487) 11.276 9.882 ( -8.775 -1.328 -1.221) 8.958 9.939 ( -3.553 3.640 3.196) 6.007 10.036 ( -3.180 2.960 -2.675) 5.103 10.176 ( -7.079 -1.654 -2.534) 7.699 10.201 ( -3.266 -4.536 2.633) 6.179 10.469 ( -4.222 2.486 0.397) 4.915 10.575 ( -1.043 2.833 -0.362) 3.040 10.648 ( -3.665 -3.714 0.524) 5.244 10.716 ( -3.261 -1.591 -0.204) 3.634 11.426 ( 11.509 -0.271 -0.411) 11.520 11.451 ( 7.744 -2.217 -0.052) 8.055 11.486 ( 7.995 0.427 -0.368) 8.015 11.531 ( 7.351 -0.745 1.105) 7.471 11.958 ( 2.797 1.951 1.365) 3.673 11.960 ( -2.622 1.552 0.417) 3.075 12.035 ( -3.620 4.724 1.770) 6.209 12.048 ( -2.181 1.178 -0.062) 2.479 12.093 ( -0.648 -0.381 -0.625) 0.978 12.161 ( 3.048 -2.606 0.928) 4.116 12.219 ( 0.656 -1.099 -1.043) 1.651 12.263 ( -0.101 -1.961 -2.442) 3.134 12.647 ( 2.738 3.276 1.323) 4.470 12.683 ( 2.677 3.692 -0.712) 4.616 12.803 ( 0.444 -2.799 0.513) 2.881 12.832 ( -0.690 -2.292 -0.648) 2.479 13.298 ( 4.458 5.251 0.320) 6.895 13.337 ( 4.432 4.849 -0.374) 6.580 13.574 ( 5.817 -8.128 1.398) 10.092 13.620 ( 5.286 -7.830 -1.040) 9.505 13.957 ( -0.508 7.852 -0.975) 7.929 13.995 ( 0.202 8.900 0.930) 8.951 14.140 ( 0.217 -2.871 0.893) 3.015 14.177 ( -2.965 -1.666 -1.176) 3.599 14.380 ( -1.139 10.652 1.378) 10.801 14.426 ( 1.716 11.053 -0.220) 11.187 14.671 ( -3.824 0.289 -1.643) 4.172 14.695 ( -2.630 1.138 0.588) 2.925 14.935 ( 7.716 2.655 0.773) 8.196 15.082 ( 5.579 2.112 -2.263) 6.380 15.228 ( 8.417 -2.858 0.298) 8.894 15.263 ( 11.535 -2.558 0.065) 11.815 15.303 ( 1.755 0.706 1.692) 2.538 15.357 ( 0.589 1.072 -0.492) 1.318 15.437 ( -0.471 -3.040 0.117) 3.078 15.485 ( -2.703 -4.196 -0.910) 5.073 15.733 ( 9.214 0.604 -3.426) 9.849 15.776 ( 10.193 0.745 0.295) 10.225 15.825 ( 3.678 -1.917 2.488) 4.837 15.860 ( -0.455 -3.488 -4.323) 5.573 16.365 ( 0.912 0.063 0.011) 0.915 16.393 ( 0.884 -0.348 -1.350) 1.651 16.446 ( 3.176 0.719 -0.724) 3.336 16.480 ( 1.804 -0.265 2.998) 3.509 17.130 ( 0.754 0.966 -0.127) 1.232 17.154 ( 1.074 -0.045 0.116) 1.081 17.192 ( 0.716 0.637 0.303) 1.005 17.233 ( 0.882 -0.933 -0.852) 1.541 19.675 ( 6.173 -0.026 1.084) 6.267 19.713 ( 4.871 -1.581 -2.870) 5.870 19.904 ( 5.902 -0.711 0.479) 5.964 19.909 ( 5.671 -0.752 0.762) 5.772 20.376 ( -9.658 1.844 1.113) 9.896 20.456 ( -9.489 -1.525 0.800) 9.644 20.642 ( -5.917 1.619 -1.062) 6.225 20.712 ( -5.640 -1.383 -0.503) 5.829 21.820 ( 9.879 1.346 -1.355) 10.062 21.825 ( 8.955 1.338 -1.378) 9.159 21.919 ( 10.129 -0.964 1.428) 10.275 21.937 ( 9.752 -1.114 0.771) 9.845 22.711 ( -7.717 1.135 -1.106) 7.878 22.820 ( -6.127 -3.530 -0.567) 7.094 22.924 ( -12.492 0.179 1.785) 12.620 22.990 ( -10.382 -2.768 1.021) 10.793 26.915 ( 18.957 2.525 1.146) 19.158 26.955 ( 20.076 3.244 -0.787) 20.351 27.143 ( 24.766 -4.811 4.949) 25.710 27.229 ( 25.642 -6.640 -8.542) 27.831 28.736 ( -23.455 6.574 0.382) 24.362 28.823 ( -23.972 8.133 -0.795) 25.327 29.066 ( -21.493 -6.600 0.368) 22.486 29.106 ( -21.823 -4.544 -0.726) 22.303 30.296 ( 15.030 8.353 0.736) 17.211 30.360 ( 12.514 9.444 0.710) 15.694 30.580 ( 5.183 -2.398 0.633) 5.746 30.639 ( 5.261 -2.607 1.414) 6.039 30.696 ( 7.025 3.204 -0.742) 7.756 30.766 ( 9.308 3.487 0.509) 9.953 30.932 ( 6.982 -2.564 -0.011) 7.438 31.056 ( 6.365 -2.931 -3.544) 7.852 31.419 ( -8.151 6.073 -0.059) 10.164 31.524 ( -10.218 5.805 -0.763) 11.776 31.674 ( -10.627 -3.576 3.983) 11.899 31.757 ( -11.610 -2.019 -4.749) 12.705 31.921 ( 3.643 4.401 0.400) 5.727 31.992 ( 0.826 1.638 -0.584) 1.925 32.193 ( 4.564 -6.545 1.635) 8.145 32.240 ( 3.316 -6.383 -12.089) 14.067 32.638 ( 12.402 0.776 2.761) 12.730 32.668 ( 11.790 -0.427 1.656) 11.914 32.819 ( 14.183 0.464 -2.726) 14.450 32.831 ( 14.300 -0.014 -0.334) 14.304 33.362 ( -3.979 0.178 0.206) 3.988 33.371 ( -3.898 -0.187 1.689) 4.253 33.603 ( -6.368 -0.283 0.198) 6.378 33.612 ( -6.901 -0.654 -3.095) 7.592 34.731 ( -2.642 1.739 -0.550) 3.210 34.806 ( -2.725 -1.469 -1.325) 3.367 34.977 ( 1.766 1.039 0.135) 2.054 35.026 ( 1.899 -1.065 1.598) 2.701 35.316 ( 1.649 3.939 -2.070) 4.745 35.419 ( 3.531 1.066 -0.803) 3.775 35.485 ( 3.367 -3.164 -1.365) 4.818 35.528 ( 4.495 -2.241 -1.611) 5.275 35.732 ( 1.769 0.516 8.256) 8.459 35.751 ( 3.705 -1.247 4.920) 6.284 35.834 ( 2.122 1.163 -4.893) 5.458 35.894 ( 5.384 -1.132 -8.747) 10.333 37.005 ( -6.292 8.541 21.845) 24.284 37.234 ( -8.710 4.948 -11.304) 15.104 37.680 ( -20.889 -6.162 13.999) 25.890 37.925 ( -17.715 -10.439 -9.710) 22.739 ======================= Grid point 56 (27/63) ======================= q-point: ( 0.38 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.041 3.382 -7.411) 8.146 1.730 ( 4.361 -6.434 -5.242) 9.375 1.780 ( -0.282 2.379 3.211) 4.007 1.926 ( 5.390 1.213 -0.463) 5.544 2.000 ( 4.832 -4.086 3.335) 7.153 2.093 ( 5.451 -0.796 -1.015) 5.602 2.232 ( 11.368 -1.347 2.864) 11.800 2.337 ( -1.053 1.353 0.324) 1.745 2.383 ( 2.302 -3.734 -11.518) 12.325 2.402 ( 0.076 0.384 -1.444) 1.496 2.518 ( 5.589 -7.677 2.056) 9.716 2.546 ( 5.476 0.886 1.826) 5.840 2.637 ( -4.256 0.594 -2.957) 5.216 2.692 ( 4.939 -0.259 0.675) 4.991 2.718 ( -1.723 7.513 1.172) 7.797 2.821 ( 3.022 -3.073 4.147) 5.982 2.862 ( -2.624 -2.398 -0.384) 3.576 2.896 ( -0.358 3.305 -4.513) 5.605 2.950 ( 0.061 0.048 -0.198) 0.213 3.058 ( 2.804 -3.856 6.100) 7.742 3.171 ( 4.273 2.855 2.218) 5.597 3.236 ( 3.420 4.039 -11.384) 12.554 3.388 ( 2.240 2.693 3.750) 5.132 3.426 ( -0.823 2.855 1.204) 3.206 3.438 ( -0.044 3.580 -1.299) 3.808 3.524 ( 7.942 -0.912 5.032) 9.447 3.576 ( 5.356 1.737 0.431) 5.647 3.647 ( -4.438 -2.769 -1.358) 5.404 3.701 ( 7.127 5.824 1.750) 9.369 3.805 ( -0.304 6.272 3.375) 7.129 3.856 ( 2.668 5.179 1.401) 5.992 3.881 ( 3.941 1.012 -4.832) 6.317 3.948 ( 1.818 1.161 4.756) 5.223 3.973 ( -1.564 -4.406 -5.544) 7.252 4.017 ( 1.215 -3.058 -0.981) 3.433 4.166 ( -0.630 -1.322 -0.935) 1.738 4.180 ( 0.042 -4.059 -1.612) 4.368 4.252 ( -2.060 4.746 -0.889) 5.250 4.274 ( 0.952 1.464 -2.166) 2.782 4.346 ( 0.942 -1.724 -1.653) 2.568 4.429 ( 1.995 -1.173 -2.330) 3.284 4.518 ( 1.862 1.342 6.680) 7.063 4.558 ( -1.929 0.874 -0.459) 2.167 4.661 ( -4.182 -0.855 -0.232) 4.275 4.733 ( -4.536 0.702 -1.399) 4.799 4.763 ( 0.955 1.118 -0.700) 1.628 4.834 ( 2.368 -1.637 0.640) 2.949 4.886 ( 0.481 5.719 2.731) 6.355 4.940 ( -2.179 -1.042 -2.269) 3.314 4.960 ( 1.001 -0.024 2.440) 2.638 5.024 ( 2.664 4.765 4.511) 7.082 5.107 ( -4.599 -2.365 1.286) 5.329 5.158 ( 0.207 -0.587 0.459) 0.773 5.246 ( -1.320 1.860 3.695) 4.342 5.307 ( -1.566 4.585 2.297) 5.362 5.375 ( 3.400 -4.018 -0.607) 5.298 5.408 ( -2.730 -3.056 -3.189) 5.192 5.465 ( -0.791 -5.758 1.963) 6.135 5.525 ( -3.332 -4.726 -1.555) 5.988 5.576 ( -2.031 -0.810 -1.522) 2.664 5.844 ( -2.414 -1.767 0.019) 2.992 5.928 ( -0.230 -4.248 -0.970) 4.363 5.951 ( -4.123 -0.810 -0.022) 4.202 5.974 ( 2.878 -3.243 -2.007) 4.778 6.062 ( -1.608 2.946 -0.542) 3.400 6.159 ( 1.474 1.023 -0.862) 1.990 6.216 ( 7.431 2.077 0.236) 7.720 6.244 ( 2.235 0.191 -0.600) 2.322 6.483 ( 1.737 -0.028 2.227) 2.825 6.531 ( -2.195 -2.163 2.807) 4.168 6.582 ( 0.335 0.958 -2.066) 2.301 6.611 ( -4.721 -0.586 -3.123) 5.691 6.736 ( 0.512 0.630 1.213) 1.460 6.843 ( 5.354 0.955 -1.064) 5.542 6.870 ( 3.171 -2.782 0.545) 4.253 6.986 ( -5.389 -3.684 1.083) 6.617 7.425 ( -14.576 3.000 0.543) 14.891 7.586 ( -9.968 6.206 -1.121) 11.795 7.613 ( -13.630 -4.110 1.028) 14.273 7.901 ( -10.471 -7.483 -0.008) 12.870 8.701 ( 2.398 2.976 -1.750) 4.204 8.761 ( -1.439 1.262 -0.231) 1.928 8.799 ( -2.517 0.730 2.446) 3.584 8.861 ( -0.294 -2.158 0.409) 2.216 9.029 ( 1.510 1.153 1.214) 2.254 9.052 ( 0.190 -0.174 -1.884) 1.901 9.091 ( -1.507 -1.239 0.896) 2.147 9.126 ( 2.671 -1.967 -0.142) 3.320 9.272 ( 3.202 0.612 -0.247) 3.270 9.324 ( 3.398 -1.976 1.920) 4.374 9.350 ( 5.769 -1.177 -0.399) 5.901 9.378 ( 4.581 -1.539 0.591) 4.868 9.533 ( -10.679 0.632 0.489) 10.708 9.568 ( -7.430 -1.235 -1.113) 7.614 9.661 ( -6.698 1.663 -1.221) 7.009 9.725 ( -7.912 -1.392 -0.572) 8.054 9.922 ( 0.860 1.296 -1.610) 2.239 9.988 ( -2.742 1.160 -0.663) 3.050 10.057 ( -2.907 1.939 0.134) 3.497 10.191 ( -2.410 -3.780 1.707) 4.797 10.429 ( -1.556 2.597 1.238) 3.271 10.555 ( -0.499 2.068 -0.605) 2.212 10.596 ( -2.748 -3.102 0.474) 4.171 10.658 ( -2.217 -1.279 -0.368) 2.586 11.542 ( 3.554 -0.074 0.005) 3.555 11.586 ( 6.531 -2.008 -0.002) 6.833 11.606 ( 4.637 0.421 0.112) 4.658 11.644 ( 4.490 -0.744 0.158) 4.554 11.923 ( -1.098 1.995 -0.365) 2.306 11.977 ( -1.975 0.660 -0.119) 2.086 12.015 ( 1.278 3.484 -0.771) 3.790 12.036 ( -1.462 3.199 0.035) 3.518 12.081 ( -0.309 -0.607 2.034) 2.145 12.200 ( 0.974 -3.810 -0.356) 3.949 12.234 ( 1.174 -2.258 -0.368) 2.572 12.281 ( 4.553 -4.049 -0.434) 6.108 12.687 ( 0.452 1.606 0.017) 1.668 12.713 ( 1.549 1.951 0.244) 2.503 12.791 ( -2.828 -2.245 -0.572) 3.656 12.804 ( -0.868 -1.622 0.056) 1.840 13.384 ( 4.901 6.772 0.238) 8.362 13.405 ( 3.699 6.636 -0.412) 7.608 13.592 ( -3.256 -0.551 0.270) 3.313 13.612 ( -2.315 -0.304 -0.012) 2.335 14.009 ( 4.919 3.366 -0.108) 5.961 14.115 ( 7.968 -0.490 0.661) 8.010 14.166 ( 3.759 -0.591 -0.723) 3.873 14.196 ( 3.957 -2.148 0.190) 4.506 14.368 ( -0.687 9.481 0.615) 9.526 14.422 ( -0.788 8.198 -0.564) 8.255 14.539 ( -8.176 1.248 -1.273) 8.368 14.628 ( -6.303 1.084 0.597) 6.424 15.034 ( 2.828 -1.361 0.155) 3.142 15.086 ( -0.393 0.413 -0.966) 1.122 15.235 ( -5.426 -7.850 1.447) 9.652 15.289 ( -5.379 -5.760 0.050) 7.881 15.379 ( 6.297 1.948 -0.861) 6.647 15.431 ( 5.237 2.358 0.709) 5.787 15.479 ( 2.828 -2.940 -0.703) 4.139 15.524 ( 4.538 -1.799 0.273) 4.890 15.859 ( 7.658 -0.411 -0.792) 7.710 15.880 ( 7.944 -1.180 -2.222) 8.333 15.937 ( 5.793 1.406 0.632) 5.994 15.960 ( 6.752 0.482 1.539) 6.942 16.358 ( -1.869 -0.308 1.250) 2.270 16.372 ( -1.296 -0.681 -0.485) 1.542 16.457 ( -0.451 0.977 -0.546) 1.207 16.487 ( -4.551 -0.337 1.975) 4.973 17.151 ( 1.350 1.204 -0.054) 1.810 17.190 ( 2.269 -0.261 0.637) 2.371 17.204 ( 0.321 0.223 0.218) 0.448 17.227 ( 0.119 -0.845 -1.554) 1.773 19.801 ( 8.515 -0.164 -1.529) 8.653 19.827 ( 9.179 -1.183 1.279) 9.343 20.010 ( 5.544 0.620 0.281) 5.586 20.048 ( 6.634 -0.906 1.650) 6.896 20.219 ( -10.360 1.475 1.867) 10.630 20.281 ( -10.888 -1.160 0.692) 10.972 20.532 ( -5.404 1.414 -0.222) 5.590 20.600 ( -5.872 -1.425 -0.508) 6.064 21.973 ( 8.692 2.117 -0.079) 8.947 21.988 ( 10.653 1.759 -1.132) 10.856 22.102 ( 8.693 -1.487 0.643) 8.843 22.119 ( 10.100 -1.904 -0.256) 10.281 22.565 ( -7.145 1.452 -0.608) 7.317 22.686 ( -8.647 -3.675 -0.286) 9.400 22.742 ( -9.687 0.822 1.090) 9.783 22.812 ( -10.177 -2.021 0.144) 10.376 27.257 ( 19.095 3.805 -1.114) 19.502 27.314 ( 19.666 6.434 1.904) 20.779 27.517 ( 21.155 -6.292 -5.658) 22.784 27.691 ( 22.079 -9.405 8.550) 25.476 28.363 ( -19.982 6.003 1.036) 20.890 28.423 ( -19.882 7.360 -1.160) 21.232 28.657 ( -23.255 -5.951 -1.899) 24.080 28.746 ( -18.908 -7.200 1.816) 20.314 30.497 ( 9.804 4.607 -1.322) 10.913 30.585 ( 9.112 4.797 2.539) 10.606 30.667 ( 4.117 -1.852 -0.853) 4.594 30.707 ( 2.470 -0.033 -1.006) 2.667 30.823 ( 7.585 3.847 0.390) 8.514 30.935 ( 7.617 5.279 0.347) 9.274 31.037 ( 3.119 -5.528 2.977) 7.011 31.139 ( 4.365 -3.077 0.160) 5.343 31.267 ( -7.399 5.257 -0.146) 9.078 31.341 ( -9.372 4.266 1.320) 10.382 31.530 ( -8.705 -2.295 -0.952) 9.053 31.543 ( -9.450 -1.482 3.838) 10.306 32.019 ( 4.286 4.538 1.016) 6.324 32.035 ( 3.681 2.905 -1.668) 4.976 32.188 ( 4.065 -3.652 0.807) 5.524 32.365 ( 2.300 -7.862 8.430) 11.754 32.837 ( 5.952 0.698 2.199) 6.384 32.859 ( 7.311 -0.003 0.933) 7.370 33.035 ( 12.790 0.392 -0.700) 12.815 33.055 ( 12.377 -0.206 -0.970) 12.417 33.275 ( -4.186 0.746 -1.963) 4.683 33.318 ( -3.476 -0.950 0.735) 3.678 33.469 ( -8.022 0.256 0.971) 8.084 33.493 ( -8.949 -0.701 2.729) 9.382 34.691 ( -1.039 1.436 -0.059) 1.773 34.753 ( -0.934 -1.236 -1.165) 1.939 34.993 ( 1.112 1.135 -1.774) 2.381 35.056 ( 1.120 -1.529 -1.282) 2.288 35.332 ( 1.177 4.047 1.068) 4.348 35.458 ( 2.198 1.357 -1.059) 2.792 35.517 ( 2.001 -3.937 -0.852) 4.497 35.572 ( 2.287 -3.031 -0.285) 3.808 35.768 ( 4.072 1.641 -6.922) 8.197 35.841 ( -0.445 1.896 2.566) 3.222 35.875 ( 6.153 -2.221 -6.596) 9.290 35.905 ( 2.789 -0.562 -0.944) 2.998 36.987 ( -0.944 7.775 -10.192) 12.854 37.070 ( -8.990 4.499 10.369) 14.443 37.500 ( -17.361 -5.370 9.180) 20.360 37.544 ( -9.199 -7.383 -9.298) 15.019 ======================= Grid point 57 (28/63) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 3.446 1.409 2.092) 4.270 1.775 ( -1.491 -5.702 0.257) 5.899 1.836 ( 8.820 0.574 4.061) 9.727 1.881 ( -2.486 1.067 -4.016) 4.843 2.055 ( -8.349 4.195 -2.632) 9.707 2.103 ( 1.931 -0.980 -4.283) 4.800 2.146 ( -2.600 -1.758 -9.651) 10.148 2.333 ( 4.200 0.299 -3.887) 5.730 2.368 ( 0.981 -1.010 -4.671) 4.879 2.435 ( 6.824 -0.895 -0.059) 6.882 2.456 ( -11.544 0.592 -5.292) 12.713 2.558 ( -3.613 0.417 -1.703) 4.016 2.633 ( -0.935 -2.275 -2.977) 3.861 2.692 ( 2.312 -3.420 4.652) 6.220 2.749 ( -2.009 -2.897 -1.175) 3.716 2.770 ( 0.895 6.566 -3.215) 7.366 2.874 ( 1.211 -0.919 -4.075) 4.349 2.909 ( -5.577 -1.704 -1.086) 5.932 2.932 ( 0.269 -1.503 -1.106) 1.886 3.042 ( -1.377 -4.393 9.163) 10.254 3.252 ( 1.166 7.259 -1.324) 7.470 3.328 ( 2.518 -0.828 -3.008) 4.010 3.367 ( -4.746 -1.091 2.518) 5.482 3.450 ( 3.255 6.047 -0.886) 6.924 3.469 ( 0.108 4.067 2.022) 4.544 3.591 ( 3.455 -1.844 -0.191) 3.920 3.627 ( -1.769 0.166 2.359) 2.953 3.644 ( -0.244 -1.913 -2.729) 3.342 3.687 ( -4.303 0.534 -3.022) 5.285 3.757 ( -1.655 2.962 1.807) 3.844 3.843 ( -1.605 7.428 -4.227) 8.696 3.870 ( 2.858 2.945 -3.766) 5.570 3.934 ( -2.496 2.966 0.490) 3.907 4.016 ( 0.081 -1.148 -1.374) 1.793 4.081 ( 2.125 -0.912 3.470) 4.170 4.134 ( 1.540 -4.269 0.983) 4.644 4.212 ( 1.143 1.212 -0.244) 1.684 4.233 ( 5.584 -0.315 2.710) 6.215 4.326 ( 2.307 3.041 0.906) 3.923 4.410 ( -1.504 -2.357 -0.953) 2.954 4.421 ( 2.034 1.603 -0.328) 2.611 4.478 ( 0.263 -3.529 -1.996) 4.063 4.576 ( 0.116 1.066 -0.634) 1.246 4.626 ( -1.383 1.084 -4.007) 4.376 4.662 ( -0.704 3.977 1.615) 4.350 4.749 ( -0.716 2.197 2.691) 3.547 4.821 ( -2.492 -2.026 0.903) 3.336 4.883 ( 1.725 1.030 -2.267) 3.029 4.917 ( 0.467 1.174 3.237) 3.475 4.993 ( -2.194 -1.986 1.531) 3.332 5.096 ( 0.848 3.937 3.575) 5.385 5.150 ( -4.240 1.691 5.510) 7.155 5.201 ( 2.626 -0.950 3.110) 4.180 5.247 ( -4.927 2.141 0.289) 5.380 5.273 ( 1.098 0.486 2.860) 3.102 5.418 ( 0.515 -1.201 1.194) 1.770 5.440 ( 4.663 -2.690 2.135) 5.791 5.470 ( 0.271 -6.022 2.112) 6.387 5.506 ( -0.707 -3.401 0.180) 3.478 5.562 ( 2.468 -1.626 1.472) 3.301 5.796 ( -3.345 -1.840 -1.738) 4.194 5.860 ( -0.917 -1.111 1.196) 1.872 5.966 ( 2.570 -0.202 -2.111) 3.332 6.001 ( 5.024 -2.237 -2.441) 6.017 6.044 ( -1.000 0.201 -0.699) 1.237 6.152 ( -1.493 -1.538 -1.728) 2.753 6.227 ( 0.185 1.166 -2.358) 2.637 6.276 ( -2.323 -0.063 -3.905) 4.544 6.497 ( -1.438 0.066 1.197) 1.872 6.531 ( -0.071 -0.803 1.190) 1.437 6.589 ( 3.028 0.845 1.014) 3.304 6.618 ( 3.606 0.184 1.419) 3.880 6.764 ( -1.119 -0.563 1.786) 2.182 6.850 ( -2.561 -2.183 -2.206) 4.024 6.908 ( -0.584 -1.031 0.030) 1.185 6.924 ( -1.978 -1.041 -0.034) 2.236 7.319 ( 0.920 2.448 3.218) 4.147 7.477 ( 0.863 3.724 -0.412) 3.844 7.548 ( 2.155 -2.146 4.093) 5.100 7.782 ( -1.031 -6.105 -1.491) 6.369 8.712 ( 1.486 2.534 -1.500) 3.298 8.731 ( -0.781 2.080 -1.543) 2.705 8.796 ( -1.537 0.721 2.542) 3.056 8.861 ( -0.017 -1.792 0.336) 1.823 9.050 ( -0.128 0.888 0.458) 1.007 9.058 ( 1.840 0.760 -0.494) 2.051 9.074 ( -1.566 -1.504 1.084) 2.427 9.153 ( 1.044 -2.247 -0.344) 2.501 9.328 ( 1.025 0.219 0.735) 1.280 9.361 ( -6.905 -0.478 0.940) 6.986 9.373 ( 1.531 -1.175 1.494) 2.440 9.429 ( -0.597 -1.633 -0.350) 1.773 9.436 ( 1.129 0.918 -1.261) 1.925 9.486 ( 1.393 -1.169 -1.495) 2.354 9.604 ( 1.230 -0.927 -0.968) 1.819 9.621 ( -0.307 -1.064 -0.990) 1.485 9.924 ( -2.441 1.521 -1.335) 3.171 9.952 ( 4.169 -0.215 -1.172) 4.336 10.055 ( 0.695 2.186 1.763) 2.893 10.149 ( -2.364 -2.525 -1.012) 3.604 10.429 ( -0.726 2.810 1.594) 3.311 10.543 ( 0.491 2.993 -1.213) 3.267 10.582 ( -0.052 -3.418 1.282) 3.651 10.641 ( 0.314 -1.635 0.042) 1.665 11.574 ( 0.079 0.732 0.418) 0.847 11.625 ( -0.820 -0.379 -0.900) 1.275 11.657 ( 1.007 -1.417 0.775) 1.903 11.689 ( -0.462 -1.677 0.030) 1.739 11.916 ( 0.467 1.733 -0.277) 1.816 11.957 ( -0.048 0.421 0.005) 0.423 11.980 ( -1.973 3.063 -2.642) 4.501 12.014 ( 0.414 1.663 -1.063) 2.016 12.107 ( -0.697 0.902 2.233) 2.507 12.206 ( 0.269 -3.827 -0.750) 3.909 12.264 ( 0.802 -2.450 1.154) 2.825 12.326 ( 0.380 -4.509 -0.511) 4.554 12.687 ( 0.204 1.068 0.219) 1.109 12.732 ( -2.111 0.608 -0.868) 2.362 12.751 ( 2.136 -1.050 0.439) 2.420 12.788 ( -0.319 -1.556 -0.464) 1.654 13.439 ( -0.662 6.185 -0.090) 6.221 13.444 ( 0.673 6.568 -0.170) 6.605 13.548 ( 0.057 3.430 0.291) 3.443 13.580 ( -0.342 3.039 -0.438) 3.089 14.069 ( 0.547 2.549 0.914) 2.762 14.166 ( -0.706 0.872 -1.143) 1.602 14.231 ( 0.242 -0.059 0.356) 0.434 14.250 ( 0.191 -1.401 -0.093) 1.417 14.381 ( -6.291 3.758 -0.054) 7.328 14.411 ( 5.218 2.742 1.283) 6.033 14.455 ( 4.751 4.381 -1.776) 6.702 14.515 ( -3.875 1.711 -1.053) 4.365 15.060 ( 0.993 -2.628 -0.224) 2.818 15.091 ( 0.075 -1.686 -0.621) 1.798 15.175 ( -1.590 -7.630 0.797) 7.834 15.213 ( 0.015 -7.074 -0.296) 7.080 15.443 ( 0.796 2.735 0.152) 2.852 15.469 ( -1.229 3.329 -0.656) 3.609 15.515 ( 0.015 -1.901 0.592) 1.992 15.557 ( 0.257 -0.791 -0.521) 0.981 15.944 ( 0.668 0.224 0.341) 0.783 15.981 ( 2.374 -0.412 -0.006) 2.409 15.995 ( 0.826 0.196 0.887) 1.228 16.024 ( -0.901 -0.426 0.095) 1.001 16.351 ( -2.343 -0.219 1.479) 2.780 16.359 ( 1.244 -0.419 1.014) 1.659 16.417 ( -1.743 0.702 -0.169) 1.887 16.454 ( 1.266 -0.828 -0.458) 1.581 17.158 ( -0.177 1.102 -0.453) 1.204 17.195 ( -1.112 -0.308 -1.288) 1.729 17.214 ( 0.021 0.326 0.708) 0.780 17.238 ( 1.742 -0.812 0.192) 1.932 19.929 ( 3.744 -0.224 -0.566) 3.793 19.948 ( -0.955 -0.649 -0.668) 1.334 20.061 ( 1.207 0.314 1.154) 1.700 20.085 ( -1.198 0.186 0.776) 1.439 20.130 ( -2.909 0.501 2.424) 3.820 20.171 ( -2.266 -0.875 2.216) 3.288 20.483 ( 0.661 1.248 0.539) 1.512 20.544 ( 0.896 -1.274 -0.049) 1.558 22.062 ( -0.457 2.786 0.279) 2.837 22.096 ( 0.804 2.511 -0.569) 2.697 22.203 ( 0.185 -3.125 0.809) 3.233 22.231 ( 0.676 -3.102 0.100) 3.176 22.494 ( 1.251 1.397 -0.156) 1.882 22.564 ( -1.326 -1.261 -1.701) 2.498 22.656 ( -0.574 0.010 0.832) 1.011 22.702 ( -0.445 -1.593 -0.148) 1.660 27.476 ( 1.103 5.085 0.528) 5.230 27.519 ( -1.766 7.298 -0.532) 7.527 27.768 ( 8.661 -6.810 1.510) 11.121 27.879 ( -11.224 -7.733 -1.777) 13.745 28.154 ( -1.917 5.164 0.470) 5.528 28.214 ( 2.484 5.523 -1.396) 6.215 28.467 ( 7.319 -7.181 5.072) 11.440 28.557 ( -4.219 -8.310 2.794) 9.729 30.591 ( 1.687 2.762 -0.559) 3.285 30.640 ( -4.555 1.728 -1.946) 5.246 30.698 ( 0.221 0.530 -0.133) 0.589 30.718 ( 0.976 0.919 -0.721) 1.522 30.966 ( 3.701 0.850 2.268) 4.423 31.003 ( -2.571 -0.233 1.207) 2.850 31.039 ( -0.582 3.231 -0.304) 3.297 31.116 ( -1.916 -0.824 -1.557) 2.603 31.262 ( 2.182 0.374 2.480) 3.324 31.329 ( 3.714 -1.675 2.877) 4.988 31.429 ( -7.165 4.398 6.058) 10.363 31.529 ( 3.663 0.669 4.679) 5.980 32.051 ( -0.695 3.601 0.384) 3.688 32.067 ( 0.335 4.467 1.313) 4.668 32.363 ( 5.680 -4.944 10.905) 13.252 32.457 ( -4.150 -6.412 8.877) 11.710 32.870 ( -1.682 0.623 -1.762) 2.514 32.894 ( -2.362 0.083 -2.598) 3.512 33.190 ( 2.559 -0.598 -1.091) 2.845 33.199 ( 1.044 -0.526 -1.243) 1.707 33.245 ( 2.419 1.420 1.296) 3.090 33.283 ( -2.428 -0.502 0.975) 2.664 33.382 ( -2.537 -0.053 2.223) 3.374 33.387 ( 0.425 -0.198 2.053) 2.106 34.702 ( 0.588 1.183 2.191) 2.558 34.757 ( 1.244 -1.217 1.052) 2.034 34.974 ( 0.353 0.996 -3.107) 3.282 35.031 ( -0.273 -1.474 -3.708) 3.999 35.382 ( 1.009 3.298 3.685) 5.047 35.467 ( 0.511 1.904 -0.983) 2.203 35.531 ( 0.840 -3.558 -1.425) 3.924 35.611 ( 1.410 -2.786 1.734) 3.571 35.731 ( 0.468 1.679 -8.044) 8.231 35.789 ( -1.230 2.203 -5.222) 5.800 35.851 ( -3.156 -1.679 -5.642) 6.679 35.886 ( 6.583 -1.692 -10.325) 12.361 36.957 ( -12.588 4.378 1.521) 13.414 37.014 ( 8.834 5.265 0.374) 10.291 37.302 ( -12.218 -2.585 1.311) 12.557 37.475 ( 10.215 -6.799 -2.846) 12.596 ======================= Grid point 58 (29/63) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -18.854 3.464 -2.734) 19.363 1.646 ( -9.320 2.963 -5.198) 11.075 1.775 ( -15.440 3.362 -1.977) 15.925 1.840 ( 2.976 0.526 -5.950) 6.673 1.960 ( -1.499 0.959 -6.114) 6.367 2.007 ( -6.616 -0.660 -7.179) 9.784 2.125 ( -9.775 2.484 -4.712) 11.132 2.235 ( -1.189 -3.468 1.115) 3.832 2.310 ( -1.237 -5.420 -5.273) 7.663 2.413 ( 4.934 0.937 4.186) 6.538 2.467 ( -0.547 -0.925 -6.073) 6.167 2.488 ( 3.176 -0.371 2.997) 4.383 2.564 ( -2.210 -5.282 4.094) 7.039 2.653 ( -0.415 4.594 0.405) 4.631 2.681 ( -4.248 -4.568 0.207) 6.241 2.783 ( 4.185 -2.791 -0.375) 5.044 2.879 ( -3.424 -5.198 1.410) 6.382 2.944 ( -0.021 -2.968 1.693) 3.417 2.960 ( 7.036 0.197 4.593) 8.405 3.109 ( -7.716 6.821 -10.069) 14.403 3.118 ( -11.292 3.899 -2.994) 12.316 3.169 ( 1.431 -0.913 9.190) 9.346 3.311 ( -4.936 -0.685 3.551) 6.120 3.391 ( -4.884 4.398 -0.320) 6.580 3.494 ( -6.528 0.682 -2.655) 7.080 3.503 ( -9.437 -0.482 -2.375) 9.743 3.604 ( -1.211 1.417 -0.508) 1.932 3.612 ( -1.665 2.269 -4.450) 5.265 3.653 ( -0.011 1.467 0.493) 1.548 3.747 ( 3.184 4.463 1.683) 5.735 3.839 ( -1.977 -1.876 -4.207) 5.012 3.851 ( 0.136 7.241 0.013) 7.242 3.907 ( -0.606 3.262 1.111) 3.499 4.039 ( 1.235 -1.060 4.221) 4.524 4.131 ( 2.090 -0.430 0.653) 2.231 4.191 ( -2.976 -2.664 -2.647) 4.791 4.238 ( -1.902 -5.896 -1.540) 6.383 4.290 ( 8.388 -2.931 4.169) 9.815 4.327 ( -1.225 3.116 -1.836) 3.818 4.400 ( 3.492 2.666 -2.959) 5.297 4.441 ( 1.498 1.267 -2.177) 2.930 4.506 ( 1.564 -0.322 -1.314) 2.068 4.531 ( 0.171 1.680 -2.465) 2.988 4.625 ( 4.177 1.137 -2.300) 4.902 4.683 ( 0.934 -0.942 5.826) 5.975 4.763 ( -0.955 4.209 -0.438) 4.338 4.882 ( -1.474 -5.362 5.514) 7.831 4.923 ( 4.378 4.301 4.793) 7.787 4.962 ( -2.646 -4.105 -0.310) 4.893 5.016 ( 3.678 3.392 5.470) 7.413 5.115 ( -2.656 3.468 3.537) 5.621 5.132 ( 1.769 2.019 -3.627) 4.512 5.164 ( -0.981 2.118 -0.763) 2.456 5.230 ( -2.066 -1.096 2.600) 3.497 5.351 ( -1.928 -0.245 4.835) 5.210 5.407 ( -4.134 -6.823 1.129) 8.057 5.471 ( 0.900 -1.227 2.293) 2.753 5.571 ( 5.029 -0.769 1.457) 5.292 5.586 ( 5.498 -5.112 1.145) 7.595 5.622 ( 4.249 0.189 -1.326) 4.455 5.746 ( 0.904 1.215 -1.961) 2.477 5.876 ( 0.789 -2.879 -1.510) 3.345 5.972 ( 1.013 -1.445 -2.221) 2.837 5.988 ( -2.684 1.397 0.512) 3.069 6.048 ( -0.182 -2.650 -0.884) 2.799 6.108 ( -3.466 -1.292 -3.727) 5.251 6.157 ( 0.558 0.909 -0.256) 1.097 6.184 ( -2.701 -0.230 -2.092) 3.424 6.464 ( -3.319 1.100 0.991) 3.634 6.493 ( -3.336 0.448 1.104) 3.543 6.674 ( 3.358 0.293 0.045) 3.371 6.696 ( 1.510 -0.377 -0.042) 1.557 6.744 ( -3.104 -0.364 1.565) 3.495 6.823 ( 3.382 -0.413 -2.464) 4.204 6.860 ( -4.132 -1.217 0.236) 4.314 6.913 ( 2.204 -2.473 0.448) 3.342 7.496 ( 13.300 2.745 2.675) 13.841 7.581 ( 10.866 4.731 -1.091) 11.902 7.741 ( 11.566 -5.358 4.995) 13.691 7.835 ( 10.013 -5.031 -3.406) 11.712 8.699 ( -0.216 2.983 -2.129) 3.671 8.731 ( 2.434 2.267 -0.687) 3.397 8.808 ( -1.094 1.106 3.124) 3.490 8.870 ( 0.366 -0.837 0.451) 1.019 9.030 ( -2.083 1.633 0.482) 2.690 9.065 ( -0.898 -1.275 0.233) 1.577 9.082 ( 0.302 -0.674 -0.842) 1.120 9.157 ( -0.765 -2.154 0.601) 2.363 9.258 ( -4.937 -1.892 -0.628) 5.325 9.293 ( -4.800 -1.914 1.203) 5.305 9.341 ( -2.938 1.160 -0.568) 3.209 9.402 ( -3.765 -2.395 1.306) 4.649 9.535 ( 10.051 1.089 0.812) 10.142 9.575 ( 9.907 -0.555 -0.938) 9.967 9.655 ( 4.275 -1.186 -0.731) 4.496 9.686 ( 8.865 -1.137 -2.269) 9.221 9.852 ( -2.798 4.610 -1.780) 5.678 10.014 ( 4.295 -2.422 -1.642) 5.197 10.118 ( 1.554 -0.410 0.017) 1.607 10.144 ( 5.295 -0.729 2.245) 5.797 10.453 ( 1.141 2.473 2.133) 3.460 10.547 ( 1.689 3.354 -1.232) 3.952 10.608 ( 1.193 -3.704 1.045) 4.029 10.662 ( 2.203 -1.808 -0.499) 2.894 11.557 ( -3.011 0.255 0.474) 3.059 11.569 ( -4.637 -0.529 -0.385) 4.683 11.613 ( -7.083 -0.829 0.185) 7.134 11.635 ( -5.262 -1.220 -0.083) 5.403 11.923 ( -0.112 1.969 -0.680) 2.086 11.930 ( 0.804 2.039 -0.914) 2.375 11.975 ( 1.107 0.637 0.328) 1.318 12.018 ( 1.089 1.645 -0.827) 2.139 12.114 ( -0.732 0.464 1.633) 1.848 12.186 ( -1.247 -2.649 -0.851) 3.049 12.265 ( -2.087 -3.255 0.235) 3.874 12.306 ( -0.752 -3.012 0.089) 3.106 12.668 ( -2.563 1.887 -0.365) 3.203 12.714 ( 0.360 2.287 0.242) 2.328 12.783 ( 0.733 -2.576 -0.637) 2.753 12.809 ( 2.933 -1.682 0.074) 3.382 13.376 ( -4.798 6.536 -0.059) 8.108 13.409 ( -3.842 6.884 -0.183) 7.886 13.576 ( 1.813 -0.691 -0.088) 1.942 13.619 ( 3.763 0.195 0.172) 3.772 14.045 ( -4.915 1.906 1.195) 5.406 14.073 ( -6.749 2.418 -0.925) 7.228 14.177 ( -4.422 -1.710 -0.316) 4.751 14.199 ( -4.186 -2.152 0.259) 4.714 14.339 ( -0.277 7.609 -0.223) 7.617 14.432 ( 1.334 8.126 -0.108) 8.236 14.557 ( 7.484 1.967 -1.727) 7.928 14.598 ( 8.447 1.171 0.671) 8.554 15.031 ( -3.590 -1.244 -0.001) 3.800 15.087 ( 1.795 -0.254 -0.853) 2.004 15.219 ( 3.739 -8.157 0.965) 9.025 15.285 ( 5.503 -5.517 0.078) 7.792 15.374 ( -6.533 1.485 -1.148) 6.797 15.415 ( -5.892 1.959 0.339) 6.219 15.472 ( -3.000 -1.755 -0.496) 3.511 15.542 ( -2.674 -2.245 0.475) 3.523 15.889 ( -7.682 1.425 -0.751) 7.849 15.912 ( -5.078 0.794 0.170) 5.142 15.924 ( -9.178 0.613 -0.316) 9.204 16.034 ( -0.441 -3.166 2.359) 3.973 16.346 ( 0.779 1.752 1.062) 2.191 16.404 ( 1.579 -0.842 -1.101) 2.101 16.457 ( 2.024 -0.085 1.516) 2.530 16.500 ( 5.192 -2.210 1.837) 5.934 17.146 ( -0.783 0.682 0.109) 1.044 17.161 ( -0.990 -0.077 -0.774) 1.259 17.210 ( -1.251 0.754 0.144) 1.468 17.252 ( -0.041 -0.942 -0.333) 1.000 19.810 ( -8.693 1.127 -0.250) 8.770 19.882 ( -5.819 -1.859 0.786) 6.159 20.032 ( -8.109 0.578 0.859) 8.175 20.065 ( -6.419 -0.850 2.780) 7.047 20.199 ( 9.121 1.773 1.470) 9.407 20.269 ( 9.285 -1.225 0.287) 9.370 20.565 ( 6.512 0.872 1.038) 6.652 20.609 ( 5.902 -0.971 -0.712) 6.023 21.970 ( -8.864 2.584 -0.540) 9.248 22.008 ( -8.774 2.506 -0.453) 9.136 22.094 ( -10.831 -2.248 0.409) 11.070 22.119 ( -10.742 -2.361 -0.114) 10.999 22.610 ( 8.836 1.405 1.295) 9.040 22.642 ( 10.764 0.510 -2.472) 11.056 22.737 ( 7.117 -1.537 1.583) 7.451 22.788 ( 8.995 -3.750 -0.710) 9.771 27.225 ( -20.246 4.025 -0.716) 20.655 27.355 ( -18.939 4.909 1.452) 19.618 27.454 ( -23.960 -2.299 -2.363) 24.185 27.853 ( -8.296 -14.450 7.195) 18.150 28.354 ( 20.275 6.566 0.605) 21.321 28.446 ( 20.427 5.429 -0.349) 21.139 28.702 ( 17.358 -6.749 -0.085) 18.624 28.773 ( 17.917 -7.484 1.914) 19.512 30.484 ( -11.039 4.255 -1.030) 11.876 30.537 ( -7.118 3.210 0.643) 7.834 30.639 ( -4.672 0.169 -0.465) 4.698 30.689 ( -3.777 -2.565 -1.060) 4.687 30.877 ( -8.219 2.883 1.610) 8.857 30.916 ( -8.036 4.475 -0.338) 9.204 31.099 ( -0.776 -5.127 3.060) 6.021 31.158 ( 2.622 -4.103 -0.413) 4.887 31.298 ( 3.999 3.828 0.003) 5.535 31.448 ( 8.116 -1.554 0.121) 8.264 31.521 ( 6.358 6.578 7.602) 11.895 31.697 ( 7.840 1.064 3.094) 8.495 31.994 ( -5.648 5.331 0.667) 7.795 32.126 ( 0.228 5.285 7.655) 9.305 32.380 ( -9.643 -1.113 5.242) 11.032 32.653 ( 1.484 -6.219 8.940) 10.991 32.779 ( -3.308 -0.215 0.520) 3.355 32.790 ( -4.215 -0.336 0.749) 4.294 33.070 ( -12.043 -0.123 -0.269) 12.046 33.086 ( -9.053 -0.797 -0.041) 9.088 33.244 ( 1.378 1.849 -1.808) 2.930 33.329 ( 5.956 -1.867 4.831) 7.892 33.523 ( 9.687 0.501 2.611) 10.046 33.557 ( 10.765 -0.930 2.592) 11.112 34.748 ( 0.321 0.994 3.339) 3.499 34.801 ( 0.926 -1.296 2.053) 2.598 34.937 ( 0.118 0.504 -3.488) 3.527 34.964 ( -1.161 -0.643 -4.909) 5.086 35.422 ( -0.704 0.815 0.253) 1.106 35.476 ( -0.184 1.610 1.594) 2.273 35.505 ( -0.556 0.759 -0.920) 1.316 35.596 ( -4.962 0.120 -4.263) 6.543 35.647 ( -1.441 0.143 -2.289) 2.708 35.680 ( -2.118 -3.562 -0.580) 4.185 35.761 ( 3.305 1.289 -9.212) 9.871 35.858 ( 7.138 -1.932 -14.573) 16.342 36.673 ( -17.259 5.129 -4.342) 18.521 36.975 ( -12.984 -8.481 -3.680) 15.939 37.367 ( 16.393 9.868 2.660) 19.318 37.748 ( 19.947 -7.114 0.880) 21.196 ======================= Grid point 59 (30/63) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -24.163 10.023 1.450) 26.200 1.259 ( -24.336 13.865 -6.961) 28.860 1.585 ( -9.544 -12.195 -1.706) 15.579 1.711 ( -11.177 -2.005 2.002) 11.530 1.732 ( -8.644 -0.021 -1.709) 8.812 1.813 ( -13.789 5.153 -1.396) 14.786 1.945 ( -4.675 -0.091 -1.948) 5.066 2.208 ( 0.219 7.582 1.230) 7.685 2.243 ( 4.789 -0.561 0.936) 4.912 2.375 ( -4.235 -3.012 -2.737) 5.874 2.403 ( 0.207 1.788 -8.920) 9.100 2.561 ( 1.200 5.991 -1.660) 6.331 2.626 ( -4.529 -1.293 2.171) 5.186 2.689 ( -7.502 1.372 -3.819) 8.530 2.749 ( 2.871 -2.958 10.937) 11.688 2.816 ( 2.269 -2.474 -0.261) 3.367 2.889 ( 2.828 -6.034 -1.710) 6.880 2.901 ( 2.339 3.283 9.233) 10.075 2.934 ( 0.196 -0.449 -0.969) 1.086 3.090 ( 2.583 0.390 1.449) 2.987 3.108 ( 1.835 1.768 -4.587) 5.248 3.203 ( -12.789 8.964 2.933) 15.891 3.254 ( -2.709 -3.572 5.801) 7.331 3.325 ( -5.352 -2.036 3.074) 6.499 3.335 ( -4.362 -1.868 -2.614) 5.417 3.401 ( -2.665 -5.073 -0.979) 5.813 3.506 ( -1.377 0.918 2.808) 3.260 3.579 ( -3.699 -3.948 -4.522) 7.051 3.633 ( 3.223 -2.530 1.802) 4.476 3.678 ( -5.345 -4.703 -6.229) 9.460 3.769 ( -0.809 6.151 -1.305) 6.340 3.873 ( -2.513 6.213 2.724) 7.235 3.915 ( -3.919 -1.211 3.104) 5.144 4.029 ( -8.470 0.269 3.979) 9.362 4.124 ( 0.356 1.430 -0.457) 1.543 4.152 ( -2.837 -1.064 1.506) 3.384 4.240 ( -1.882 3.915 -2.153) 4.848 4.268 ( 6.691 1.652 -2.060) 7.193 4.356 ( -1.317 -0.293 -6.044) 6.193 4.401 ( 2.383 0.717 -4.941) 5.533 4.476 ( 3.982 -6.739 0.114) 7.828 4.530 ( 4.568 -4.350 0.485) 6.327 4.611 ( 2.859 1.184 -0.276) 3.107 4.688 ( 3.067 5.158 -0.106) 6.002 4.708 ( 3.011 -0.839 -1.082) 3.308 4.808 ( 3.642 0.995 6.095) 7.170 4.870 ( -3.325 -4.007 -0.892) 5.283 4.946 ( -0.292 -3.460 3.724) 5.092 5.025 ( -2.839 4.228 1.906) 5.437 5.075 ( 0.790 0.574 -1.542) 1.826 5.091 ( 3.124 1.662 -0.436) 3.565 5.123 ( -4.258 1.722 3.176) 5.584 5.203 ( 3.073 4.960 -2.576) 6.378 5.279 ( 4.291 2.297 2.931) 5.681 5.367 ( 0.355 -2.161 -0.139) 2.195 5.396 ( 0.364 -1.521 2.659) 3.085 5.472 ( -0.879 -1.784 1.167) 2.306 5.594 ( 0.118 -3.559 -3.283) 4.843 5.617 ( -1.440 -1.869 -2.264) 3.270 5.664 ( 2.142 -1.641 -3.811) 4.670 5.756 ( -0.066 2.201 1.391) 2.605 5.857 ( 0.471 0.081 -1.902) 1.961 5.915 ( -3.056 -0.935 -1.081) 3.373 5.982 ( -3.315 -0.226 -0.363) 3.343 6.033 ( 0.645 -2.106 1.624) 2.737 6.057 ( -0.133 -1.553 0.770) 1.739 6.138 ( 2.183 2.009 0.766) 3.064 6.232 ( 6.673 -0.604 -0.772) 6.745 6.450 ( 0.496 2.820 1.966) 3.473 6.480 ( -1.281 0.758 2.591) 2.988 6.639 ( -3.646 -0.394 -3.186) 4.858 6.675 ( -2.595 -0.753 -2.378) 3.600 6.730 ( 1.743 1.368 -0.409) 2.253 6.803 ( -2.253 0.686 -0.089) 2.357 6.865 ( 4.684 2.176 -3.244) 6.099 6.990 ( 3.399 -4.293 1.824) 5.772 7.772 ( 15.312 3.548 -0.843) 15.741 7.810 ( 16.723 2.524 0.522) 16.920 8.009 ( 12.479 -6.668 3.388) 14.548 8.018 ( 15.096 -5.252 -2.809) 16.229 8.665 ( -0.858 3.982 -2.316) 4.686 8.773 ( 2.272 0.866 0.115) 2.434 8.834 ( -0.819 1.172 3.348) 3.641 8.874 ( -1.602 0.443 1.155) 2.024 9.003 ( -2.103 1.745 0.659) 2.811 9.025 ( -4.147 -1.740 0.223) 4.503 9.050 ( -0.769 -0.280 -1.615) 1.810 9.140 ( -2.249 -1.336 0.083) 2.617 9.175 ( -4.112 -2.666 0.653) 4.944 9.217 ( -5.516 -1.805 1.138) 5.914 9.318 ( -4.852 -0.177 0.013) 4.856 9.336 ( 0.560 -0.936 -0.621) 1.255 9.681 ( 1.310 0.368 -1.263) 1.857 9.740 ( 10.685 0.365 -1.820) 10.845 9.761 ( 7.228 -1.699 1.378) 7.552 9.803 ( 9.556 0.610 -0.690) 9.600 9.891 ( 10.380 3.027 -0.623) 10.830 10.096 ( 8.304 -4.411 -0.250) 9.406 10.185 ( 4.987 1.940 0.281) 5.359 10.271 ( 5.544 -1.944 1.537) 6.072 10.506 ( 1.871 1.697 0.776) 2.643 10.580 ( 3.953 2.846 -0.195) 4.875 10.646 ( 1.306 -2.879 0.607) 3.219 10.705 ( 4.183 -2.428 -0.417) 4.855 11.445 ( -10.188 -1.440 -0.556) 10.304 11.454 ( -9.533 0.628 0.672) 9.578 11.473 ( -7.744 -1.085 -0.834) 7.864 11.528 ( -6.111 -0.728 1.078) 6.248 11.921 ( -0.054 1.471 0.158) 1.480 11.948 ( 0.505 0.575 0.425) 0.875 11.996 ( 1.666 2.994 1.160) 3.618 12.044 ( 2.955 1.727 -0.579) 3.471 12.116 ( -1.535 -0.580 0.479) 1.710 12.154 ( -1.038 -1.477 -0.301) 1.830 12.235 ( -0.755 -1.570 -0.544) 1.825 12.302 ( 0.893 -0.795 -0.875) 1.482 12.624 ( -2.579 2.952 0.612) 3.967 12.704 ( -1.802 4.027 0.010) 4.412 12.786 ( -0.071 -3.944 0.008) 3.945 12.835 ( 0.182 -1.752 -0.448) 1.817 13.297 ( -4.459 5.228 0.376) 6.881 13.331 ( -4.161 4.971 -0.565) 6.507 13.558 ( -6.811 -7.148 0.604) 9.891 13.651 ( -1.718 -8.240 0.059) 8.418 13.965 ( 1.558 11.520 -0.655) 11.644 14.031 ( -0.686 0.438 2.096) 2.249 14.102 ( -0.724 -1.953 -0.906) 2.272 14.197 ( 3.664 -1.624 -0.327) 4.021 14.320 ( -1.720 8.659 -0.259) 8.832 14.481 ( 2.212 9.652 1.494) 10.014 14.642 ( 4.357 2.869 -1.275) 5.370 14.710 ( 2.805 -1.683 -0.181) 3.276 14.939 ( -8.908 2.503 0.835) 9.291 15.097 ( -2.816 4.020 -1.267) 5.069 15.224 ( -3.855 -5.726 0.147) 6.904 15.265 ( -8.239 -1.571 0.226) 8.390 15.281 ( -4.153 1.118 0.419) 4.321 15.367 ( 1.590 -0.415 0.044) 1.644 15.458 ( 0.527 -2.082 0.306) 2.169 15.490 ( 1.459 -4.920 -0.680) 5.177 15.712 ( -8.159 0.516 -1.703) 8.351 15.727 ( -9.609 0.054 -1.224) 9.687 15.905 ( 0.175 0.636 1.845) 1.959 16.041 ( 0.107 -4.750 -0.226) 4.756 16.364 ( -0.809 2.357 -0.577) 2.558 16.386 ( -1.522 -0.083 -0.810) 1.726 16.454 ( -3.223 0.906 1.537) 3.684 16.661 ( 5.712 -7.685 4.327) 10.508 17.137 ( -0.426 0.427 0.170) 0.626 17.148 ( 0.039 0.107 -0.169) 0.203 17.180 ( -1.686 1.090 -0.207) 2.018 17.234 ( -1.159 -1.371 -0.592) 1.890 19.680 ( -5.953 2.222 0.019) 6.355 19.812 ( -2.661 -3.189 -0.573) 4.193 19.895 ( -8.442 1.474 1.256) 8.661 19.970 ( -7.695 -1.671 2.255) 8.191 20.380 ( 8.996 1.429 1.667) 9.260 20.423 ( 8.228 -0.384 -0.349) 8.244 20.693 ( 6.076 -0.327 0.618) 6.116 20.703 ( 6.105 -0.504 -1.120) 6.228 21.776 ( -10.390 2.415 -1.909) 10.836 21.818 ( -10.673 2.629 -1.732) 11.127 21.925 ( -9.132 -0.827 0.911) 9.214 21.938 ( -10.162 -1.544 1.014) 10.328 22.782 ( 8.619 0.702 1.785) 8.830 22.805 ( 11.044 0.123 -2.842) 11.404 22.903 ( 8.547 -2.020 2.893) 9.246 22.939 ( 8.866 -4.826 -0.713) 10.120 26.885 ( -17.611 2.041 0.017) 17.729 26.981 ( -21.883 -1.104 0.537) 21.917 27.061 ( -21.177 5.427 -0.733) 21.874 27.688 ( -21.138 -29.602 4.924) 36.706 28.750 ( 22.860 6.516 0.878) 23.786 28.837 ( 25.010 6.802 -0.558) 25.925 29.038 ( 20.056 -4.553 -0.735) 20.579 29.104 ( 19.747 -6.341 -0.485) 20.746 30.240 ( -16.198 5.896 -0.286) 17.240 30.413 ( -7.910 5.186 1.750) 9.619 30.520 ( -9.042 -0.593 -0.614) 9.082 30.600 ( -4.101 -2.180 -0.202) 4.648 30.751 ( -6.983 4.115 0.601) 8.128 30.808 ( -5.102 5.179 1.097) 7.352 30.979 ( -11.380 -0.085 0.471) 11.390 31.201 ( 1.004 -9.227 0.128) 9.283 31.436 ( 8.543 2.194 0.270) 8.824 31.596 ( 8.236 -4.570 -0.772) 9.451 31.732 ( 10.791 6.164 1.380) 12.504 31.846 ( 6.886 -0.202 -0.345) 6.897 31.924 ( -1.245 6.309 0.753) 6.474 32.155 ( -4.933 -3.945 1.906) 6.597 32.399 ( -0.610 11.274 8.809) 14.321 32.538 ( -8.673 -0.900 -2.468) 9.062 32.656 ( -6.938 6.809 4.716) 10.805 32.780 ( -13.308 -1.068 1.224) 13.406 32.874 ( -7.636 6.066 2.103) 9.977 33.114 ( 8.110 -1.916 2.561) 8.718 33.293 ( 5.240 4.311 0.625) 6.814 33.629 ( 16.897 -7.034 10.696) 21.199 33.716 ( 9.488 0.697 1.778) 9.678 33.757 ( 8.996 -1.168 1.696) 9.229 34.784 ( -0.732 0.559 2.905) 3.048 34.822 ( -1.146 -1.317 0.470) 1.808 34.866 ( -1.089 0.862 -6.061) 6.219 34.891 ( 0.183 -0.305 -6.423) 6.433 35.392 ( -1.740 1.629 -0.669) 2.476 35.417 ( -2.343 0.539 -2.511) 3.476 35.471 ( -4.037 -0.733 -2.590) 4.852 35.529 ( -0.670 -2.245 -2.553) 3.465 35.589 ( -1.513 0.740 1.930) 2.561 35.656 ( 1.212 0.735 -15.062) 15.129 35.709 ( -1.155 -0.500 0.455) 1.338 35.779 ( 3.686 -2.259 -6.515) 7.819 36.317 ( -17.667 5.031 -1.063) 18.400 36.676 ( -17.276 -12.272 1.760) 21.264 37.693 ( 16.621 11.352 1.465) 20.181 38.103 ( 19.135 -7.344 -0.009) 20.496 ======================= Grid point 60 (31/63) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -17.102 15.262 13.505) 26.604 0.855 ( -19.211 21.779 12.271) 31.527 1.329 ( -25.319 32.634 4.235) 41.521 1.492 ( -6.190 -9.280 8.758) 14.183 1.612 ( -3.855 -0.109 0.158) 3.860 1.776 ( -0.655 -13.880 6.402) 15.299 1.975 ( 1.863 -9.720 2.085) 10.114 2.196 ( 0.597 3.761 1.918) 4.264 2.305 ( 0.281 7.198 -3.126) 7.852 2.334 ( -2.818 10.956 -2.795) 11.653 2.373 ( 4.621 -4.430 -5.009) 8.128 2.495 ( 0.209 0.863 6.177) 6.240 2.596 ( -1.302 4.871 2.229) 5.513 2.607 ( -2.783 -3.082 -0.734) 4.217 2.761 ( -5.472 -9.656 -0.224) 11.102 2.805 ( -8.015 -1.080 -4.654) 9.331 2.888 ( -1.442 2.437 -5.055) 5.794 2.920 ( -5.359 -4.131 -0.949) 6.832 2.974 ( 6.632 1.707 2.309) 7.227 2.991 ( 3.395 -2.064 -5.784) 7.017 3.115 ( 0.704 -2.873 -1.718) 3.420 3.138 ( -3.002 -2.772 1.896) 4.504 3.268 ( -2.951 0.755 4.168) 5.162 3.290 ( -1.701 3.170 7.503) 8.321 3.372 ( 3.410 0.931 0.176) 3.539 3.396 ( -2.369 1.278 2.303) 3.543 3.433 ( -3.469 -4.187 0.985) 5.526 3.491 ( -4.942 -3.126 0.390) 5.861 3.534 ( -4.838 1.894 0.873) 5.269 3.744 ( -0.863 -3.728 2.191) 4.409 3.748 ( -0.157 6.532 -2.313) 6.931 3.841 ( -4.235 1.974 0.954) 4.769 3.870 ( 0.206 1.789 -0.457) 1.858 3.927 ( -5.511 4.634 3.503) 8.007 4.112 ( -3.782 1.333 -1.083) 4.153 4.147 ( -0.454 -2.464 0.389) 2.536 4.181 ( -1.308 -0.494 2.222) 2.625 4.269 ( 0.718 -5.516 -4.361) 7.068 4.284 ( -2.534 -5.497 -3.917) 7.209 4.405 ( 0.295 -4.029 -1.481) 4.303 4.474 ( 5.739 0.447 -5.607) 8.035 4.616 ( 5.196 0.341 -3.861) 6.482 4.624 ( 2.330 -2.736 1.302) 3.822 4.758 ( 3.351 -2.728 -0.243) 4.328 4.803 ( 5.222 3.029 -0.288) 6.044 4.829 ( -1.215 0.629 -0.815) 1.592 4.906 ( 1.275 0.473 0.166) 1.370 4.944 ( -1.633 -1.298 2.199) 3.031 5.000 ( 1.706 3.414 -2.754) 4.706 5.032 ( -0.761 5.142 -2.336) 5.698 5.081 ( -5.062 -1.623 -1.400) 5.497 5.144 ( -0.134 -0.592 3.959) 4.006 5.207 ( 1.373 3.606 -1.829) 4.270 5.281 ( -4.925 4.189 1.121) 6.562 5.366 ( 0.997 1.354 0.634) 1.797 5.456 ( 1.645 -1.103 -1.991) 2.808 5.498 ( 1.488 2.660 -1.386) 3.348 5.529 ( 1.029 0.614 -5.368) 5.500 5.595 ( 4.533 -7.382 -2.332) 8.971 5.678 ( 2.642 -5.465 0.790) 6.121 5.789 ( -1.631 2.120 -2.542) 3.690 5.827 ( -2.120 -0.696 -0.690) 2.335 5.877 ( 1.094 -2.018 9.919) 10.181 5.923 ( -4.537 -0.712 2.637) 5.296 6.066 ( 1.004 -1.576 2.589) 3.193 6.100 ( -0.552 -1.381 4.779) 5.005 6.182 ( 4.182 4.326 -2.851) 6.658 6.350 ( 4.832 -3.471 -1.457) 6.125 6.489 ( -2.790 0.837 4.696) 5.525 6.516 ( 2.261 2.974 -1.261) 3.943 6.552 ( -0.495 -0.377 -0.750) 0.974 6.601 ( 0.336 1.179 -2.375) 2.673 6.789 ( 0.090 1.404 1.484) 2.045 6.797 ( 6.958 3.825 -2.115) 8.217 6.920 ( 5.886 1.512 1.699) 6.310 7.053 ( 1.306 -4.169 2.384) 4.977 8.005 ( 12.528 4.578 -0.278) 13.341 8.112 ( 16.632 0.907 -0.547) 16.666 8.244 ( 10.473 -6.628 2.317) 12.609 8.248 ( 13.421 -5.291 -1.238) 14.479 8.608 ( -2.285 4.698 -2.016) 5.600 8.775 ( -4.032 -0.991 0.983) 4.267 8.824 ( -6.188 -0.477 2.131) 6.562 8.847 ( -2.018 -0.314 0.382) 2.078 8.935 ( -4.371 -0.978 0.761) 4.543 8.994 ( -2.308 0.728 0.602) 2.494 9.024 ( 0.572 1.973 -1.532) 2.562 9.078 ( -2.730 -0.048 -0.601) 2.796 9.127 ( -2.381 -2.689 -0.159) 3.595 9.153 ( -4.371 -2.307 2.741) 5.652 9.245 ( -0.626 1.973 -1.765) 2.721 9.356 ( 2.148 -2.806 -1.423) 3.809 9.671 ( -1.110 2.339 1.582) 3.034 9.805 ( 3.161 -3.986 -0.672) 5.131 9.933 ( 8.846 1.924 -0.087) 9.053 9.999 ( 9.082 0.558 1.206) 9.179 10.074 ( 9.712 2.869 -0.334) 10.133 10.245 ( 5.171 1.156 -0.966) 5.386 10.288 ( 8.741 -3.502 -0.335) 9.422 10.351 ( 3.329 -2.301 -0.779) 4.122 10.536 ( 1.031 1.875 0.546) 2.208 10.637 ( 2.351 -0.311 -1.704) 2.920 10.688 ( 2.798 0.557 1.372) 3.165 10.789 ( 4.194 -2.394 0.214) 4.834 11.244 ( -10.857 -0.280 -1.148) 10.921 11.266 ( -11.309 3.683 0.446) 11.901 11.360 ( -4.218 -4.616 -0.461) 6.270 11.444 ( -4.502 -2.925 0.369) 5.381 11.909 ( -2.250 1.541 1.724) 3.227 11.960 ( 0.613 0.215 0.431) 0.780 12.059 ( -1.362 0.974 0.834) 1.870 12.088 ( 3.253 0.959 0.733) 3.470 12.101 ( 2.639 1.703 0.489) 3.178 12.147 ( 1.226 -0.803 -0.429) 1.527 12.218 ( 0.039 2.439 -1.218) 2.726 12.314 ( 1.757 1.850 -1.531) 2.976 12.591 ( -2.371 4.273 0.600) 4.923 12.669 ( -0.916 4.660 -0.627) 4.790 12.775 ( -1.393 -2.738 0.457) 3.106 12.823 ( -0.379 -3.113 -0.375) 3.159 13.234 ( -3.327 2.710 0.490) 4.319 13.266 ( -2.192 0.584 -0.701) 2.374 13.388 ( -10.676 -3.820 0.616) 11.356 13.507 ( -15.486 -14.355 -1.037) 21.141 14.073 ( 8.690 12.082 -0.523) 14.892 14.111 ( 7.702 1.883 -0.297) 7.934 14.158 ( 5.849 -0.054 1.390) 6.013 14.279 ( -1.743 4.240 -0.324) 4.596 14.304 ( 8.593 -0.313 -0.391) 8.608 14.544 ( 2.665 6.485 2.242) 7.361 14.656 ( -5.051 -1.540 -0.150) 5.283 14.669 ( -3.505 -1.851 -1.850) 4.374 14.760 ( -9.622 4.473 0.625) 10.630 14.954 ( -9.120 2.779 -2.225) 9.790 15.061 ( -10.689 -1.594 -0.852) 10.841 15.106 ( -9.967 -3.821 -1.222) 10.744 15.201 ( -8.994 5.040 0.681) 10.332 15.435 ( 8.625 8.189 -7.197) 13.901 15.486 ( 3.957 -3.529 1.492) 5.508 15.577 ( 5.625 0.009 -0.274) 5.632 15.624 ( 0.958 -0.822 -0.390) 1.321 15.654 ( 1.610 -4.114 -0.148) 4.421 15.874 ( -3.641 3.036 -3.912) 6.147 16.058 ( 4.717 -4.644 -4.169) 7.823 16.305 ( -3.529 2.311 -1.212) 4.389 16.336 ( -3.453 0.040 -0.165) 3.457 16.402 ( -5.079 0.788 2.224) 5.600 16.646 ( -11.847 -11.906 -7.213) 18.279 17.134 ( 0.159 0.544 -0.123) 0.580 17.142 ( -0.060 0.300 -0.884) 0.935 17.165 ( -0.543 0.810 0.640) 1.166 17.205 ( -0.772 -1.073 -0.466) 1.401 19.610 ( -2.471 1.953 0.418) 3.177 19.740 ( -2.778 -0.506 -3.340) 4.374 19.819 ( -2.740 -2.230 2.167) 4.145 19.864 ( -5.210 -1.868 -0.474) 5.555 20.527 ( 5.126 0.752 1.477) 5.387 20.540 ( 5.540 0.136 -0.030) 5.542 20.765 ( 1.806 0.021 0.151) 1.813 20.781 ( 4.331 -0.303 -1.191) 4.502 21.625 ( -4.843 1.527 -1.418) 5.272 21.649 ( -5.241 1.690 0.278) 5.514 21.797 ( -7.584 -0.500 1.119) 7.683 21.804 ( -5.919 -0.691 0.613) 5.991 22.914 ( 3.209 -2.507 0.689) 4.130 22.928 ( 7.606 -1.373 -3.491) 8.481 23.082 ( 8.487 -1.013 1.658) 8.707 23.092 ( 7.129 -0.788 3.225) 7.864 26.643 ( -10.261 0.779 0.148) 10.291 26.682 ( -13.051 -0.790 0.691) 13.093 26.717 ( -15.661 3.092 -0.944) 15.991 27.136 ( -41.165 -30.473 -8.147) 51.861 29.145 ( 22.368 6.332 0.359) 23.250 29.223 ( 18.174 3.679 -1.015) 18.570 29.325 ( 12.397 -1.909 0.615) 12.559 29.443 ( 19.803 -5.958 -0.211) 20.681 29.930 ( -19.697 7.208 0.732) 20.987 30.244 ( -15.826 -5.720 2.394) 16.998 30.443 ( 4.216 11.572 -0.758) 12.340 30.555 ( -1.924 -0.994 0.714) 2.280 30.665 ( -3.115 2.927 -0.759) 4.341 30.763 ( -0.195 7.251 -0.811) 7.299 30.797 ( -7.478 1.482 -2.977) 8.184 31.145 ( -6.375 -11.355 -3.714) 13.542 31.530 ( 1.071 2.469 0.674) 2.775 31.681 ( 2.684 -3.889 0.003) 4.726 31.916 ( 9.076 1.770 -1.092) 9.311 31.951 ( 12.349 1.341 -1.501) 12.512 32.015 ( 7.746 2.959 0.646) 8.317 32.155 ( 3.902 -3.165 0.010) 5.024 32.287 ( -8.614 4.226 -7.580) 12.228 32.364 ( -8.119 -0.548 -1.295) 8.239 32.512 ( -12.853 1.843 -1.143) 13.034 32.524 ( -15.393 0.024 -0.824) 15.415 32.911 ( 13.701 31.747 -39.379) 52.405 33.246 ( 4.697 -2.392 -0.553) 5.300 33.449 ( 12.355 14.548 -12.477) 22.803 33.818 ( 5.470 0.072 -4.052) 6.808 33.865 ( 5.196 -0.669 -2.737) 5.911 33.971 ( 15.306 -4.480 -23.492) 28.394 34.740 ( -0.679 0.108 -1.267) 1.441 34.755 ( -0.201 -0.616 -3.585) 3.643 34.810 ( -0.837 1.152 1.766) 2.269 34.849 ( -1.196 -0.641 3.119) 3.402 35.340 ( -3.713 0.904 -5.447) 6.654 35.358 ( -2.515 1.673 -2.800) 4.118 35.369 ( -1.940 0.741 -0.061) 2.078 35.427 ( -1.978 0.239 1.592) 2.550 35.466 ( -3.960 -0.900 -3.470) 5.342 35.528 ( -2.117 -5.507 1.865) 6.187 35.805 ( 0.791 4.189 14.598) 15.208 35.932 ( 3.730 -2.341 10.803) 11.667 36.118 ( -11.305 5.226 10.983) 16.605 36.676 ( -9.153 -28.639 53.311) 61.205 37.951 ( 13.764 12.140 -2.020) 18.463 38.365 ( 11.884 -7.785 -1.972) 14.343 ======================= Grid point 61 (32/63) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -2.786 -27.138 3.400) 27.492 1.234 ( -2.786 27.138 3.400) 27.492 1.365 ( -2.100 -18.359 30.242) 35.440 1.365 ( -2.100 18.359 30.242) 35.440 1.793 ( 2.350 -12.453 -3.061) 13.037 1.793 ( 2.350 12.453 -3.061) 13.037 1.983 ( -0.769 -35.371 0.469) 35.383 1.983 ( -0.769 35.371 0.469) 35.383 2.305 ( -0.302 -1.606 -1.804) 2.434 2.305 ( -0.302 1.606 -1.804) 2.434 2.388 ( 1.424 -2.553 -3.127) 4.281 2.388 ( 1.424 2.553 -3.127) 4.281 2.565 ( -0.157 -9.251 -4.067) 10.107 2.565 ( -0.157 9.251 -4.067) 10.107 2.696 ( 2.169 -1.417 4.596) 5.276 2.696 ( 2.169 1.417 4.596) 5.276 2.907 ( 0.241 -9.114 3.028) 9.607 2.907 ( 0.241 9.114 3.028) 9.607 2.962 ( -1.295 -2.703 -3.086) 4.302 2.962 ( -1.295 2.703 -3.086) 4.302 3.095 ( 0.465 -2.545 -2.127) 3.349 3.095 ( 0.465 2.545 -2.127) 3.349 3.255 ( -2.048 -2.853 3.655) 5.069 3.255 ( -2.048 2.853 3.655) 5.069 3.407 ( -1.131 -1.376 0.668) 1.903 3.407 ( -1.131 1.376 0.668) 1.903 3.483 ( -0.347 -4.171 2.184) 4.721 3.483 ( -0.347 4.171 2.184) 4.721 3.591 ( -2.454 -5.268 3.273) 6.669 3.591 ( -2.454 5.268 3.273) 6.669 3.823 ( -5.445 -3.046 0.207) 6.242 3.823 ( -5.445 3.046 0.207) 6.242 3.957 ( -0.756 -5.843 -3.143) 6.678 3.957 ( -0.756 5.843 -3.143) 6.678 4.041 ( 1.196 -2.964 -1.477) 3.521 4.041 ( 1.196 2.964 -1.477) 3.521 4.190 ( 2.323 -5.459 -0.504) 5.955 4.190 ( 2.323 5.459 -0.504) 5.955 4.299 ( 5.488 -4.099 4.235) 8.053 4.299 ( 5.488 4.099 4.235) 8.053 4.596 ( 1.067 -3.970 -4.029) 5.756 4.596 ( 1.067 3.970 -4.029) 5.756 4.675 ( 2.771 -0.668 -3.250) 4.322 4.675 ( 2.771 0.668 -3.250) 4.322 4.813 ( -3.510 -1.895 -3.288) 5.170 4.813 ( -3.510 1.895 -3.288) 5.170 4.914 ( -1.642 -3.274 -0.784) 3.746 4.914 ( -1.642 3.274 -0.784) 3.746 5.017 ( 2.785 -1.983 -0.654) 3.481 5.017 ( 2.785 1.983 -0.654) 3.481 5.139 ( -1.158 -4.349 2.160) 4.992 5.139 ( -1.158 4.349 2.160) 4.992 5.286 ( 0.472 -5.084 -3.572) 6.231 5.286 ( 0.472 5.084 -3.572) 6.231 5.406 ( -0.025 -5.051 1.481) 5.264 5.406 ( -0.025 5.051 1.481) 5.264 5.529 ( 3.247 -4.675 -1.391) 5.859 5.529 ( 3.247 4.675 -1.391) 5.859 5.588 ( -2.140 -8.112 -2.699) 8.813 5.588 ( -2.140 8.112 -2.699) 8.813 5.779 ( 0.803 -1.840 1.575) 2.551 5.779 ( 0.803 1.840 1.575) 2.551 5.890 ( -1.823 -2.468 3.003) 4.293 5.890 ( -1.823 2.468 3.003) 4.293 6.105 ( -1.613 -2.096 4.598) 5.305 6.105 ( -1.613 2.096 4.598) 5.305 6.315 ( 2.433 -5.387 -3.005) 6.631 6.315 ( 2.433 5.387 -3.005) 6.631 6.488 ( -3.732 -3.410 0.358) 5.068 6.488 ( -3.732 3.410 0.358) 5.068 6.568 ( 3.272 -1.024 0.778) 3.515 6.568 ( 3.272 1.024 0.778) 3.515 6.878 ( -0.399 -6.550 0.146) 6.564 6.878 ( -0.399 6.550 0.146) 6.564 6.967 ( 0.764 -6.112 -1.656) 6.378 6.967 ( 0.764 6.112 -1.656) 6.378 8.265 ( 0.467 -6.987 0.416) 7.015 8.265 ( 0.467 6.987 0.416) 7.015 8.304 ( -0.331 -2.466 -0.477) 2.533 8.304 ( -0.331 2.466 -0.477) 2.533 8.688 ( 1.176 -2.088 -0.475) 2.444 8.688 ( 1.176 2.088 -0.475) 2.444 8.713 ( -1.337 -4.037 0.438) 4.275 8.713 ( -1.337 4.037 0.438) 4.275 8.958 ( -0.656 -2.486 -0.624) 2.646 8.958 ( -0.656 2.486 -0.624) 2.646 9.028 ( -1.226 -1.863 -0.769) 2.359 9.028 ( -1.226 1.863 -0.769) 2.359 9.106 ( 0.489 -2.717 1.845) 3.320 9.106 ( 0.489 2.717 1.845) 3.320 9.287 ( 0.767 -4.304 -2.158) 4.876 9.287 ( 0.767 4.304 -2.158) 4.876 9.755 ( 0.605 -4.310 1.939) 4.765 9.755 ( 0.605 4.310 1.939) 4.765 10.068 ( 0.210 -2.619 -0.497) 2.674 10.068 ( 0.210 2.619 -0.497) 2.674 10.258 ( -1.739 -5.404 -0.812) 5.735 10.258 ( -1.739 5.404 -0.812) 5.735 10.333 ( 1.662 -2.739 -1.843) 3.696 10.333 ( 1.662 2.739 -1.843) 3.696 10.609 ( -0.268 -4.146 1.278) 4.347 10.609 ( -0.268 4.146 1.278) 4.347 10.746 ( -0.948 -3.882 -1.771) 4.371 10.746 ( -0.948 3.882 -1.771) 4.371 11.212 ( 0.474 -4.654 -0.039) 4.679 11.212 ( 0.474 4.654 -0.039) 4.679 11.279 ( -0.072 -6.271 -0.364) 6.282 11.279 ( -0.072 6.271 -0.364) 6.282 11.937 ( -0.974 -2.533 1.470) 3.086 11.937 ( -0.974 2.533 1.470) 3.086 12.064 ( -0.415 -2.476 -1.153) 2.763 12.064 ( -0.415 2.476 -1.153) 2.763 12.189 ( -0.437 -1.317 1.263) 1.876 12.189 ( -0.437 1.317 1.263) 1.876 12.320 ( 1.439 -3.826 -0.962) 4.199 12.320 ( 1.439 3.826 -0.962) 4.199 12.674 ( -0.492 -5.024 0.521) 5.075 12.674 ( -0.492 5.024 0.521) 5.075 12.740 ( 0.523 -3.658 -0.016) 3.695 12.740 ( 0.523 3.658 -0.016) 3.695 13.235 ( 0.827 -0.500 0.032) 0.967 13.235 ( 0.827 0.500 0.032) 0.967 13.251 ( -0.769 -1.469 0.315) 1.688 13.251 ( -0.769 1.469 0.315) 1.688 14.221 ( -1.303 -0.973 0.698) 1.769 14.221 ( -1.303 0.973 0.698) 1.769 14.327 ( 2.434 -0.424 -2.717) 3.672 14.327 ( 2.434 0.424 -2.717) 3.672 14.464 ( -1.721 -6.560 1.547) 6.956 14.464 ( -1.721 6.560 1.547) 6.956 14.597 ( 0.400 -2.406 1.373) 2.799 14.597 ( 0.400 2.406 1.373) 2.799 14.749 ( 0.475 -5.142 0.498) 5.188 14.749 ( 0.475 5.142 0.498) 5.188 14.939 ( 0.780 -3.987 -3.741) 5.522 14.939 ( 0.780 3.987 -3.741) 5.522 15.308 ( -1.174 -14.141 3.131) 14.531 15.308 ( -1.174 14.141 3.131) 14.531 15.620 ( 0.074 -0.753 -0.882) 1.162 15.620 ( 0.074 0.753 -0.882) 1.162 15.684 ( 2.864 -0.469 -0.173) 2.907 15.684 ( 2.864 0.469 -0.173) 2.907 15.940 ( 0.472 -10.974 -11.087) 15.606 15.940 ( 0.472 10.974 -11.087) 15.606 16.277 ( -2.301 -1.244 0.233) 2.626 16.277 ( -2.301 1.244 0.233) 2.626 16.331 ( -0.840 -1.765 0.461) 2.009 16.331 ( -0.840 1.765 0.461) 2.009 17.148 ( 0.171 -0.095 0.112) 0.226 17.148 ( 0.171 0.095 0.112) 0.226 17.185 ( 0.188 -1.208 0.453) 1.304 17.185 ( 0.188 1.208 0.453) 1.304 19.643 ( 0.435 -3.773 -2.423) 4.505 19.643 ( 0.435 3.773 -2.423) 4.505 19.781 ( -0.660 -0.811 0.651) 1.231 19.781 ( -0.660 0.811 0.651) 1.231 20.591 ( -0.408 -0.760 0.804) 1.179 20.591 ( -0.408 0.760 0.804) 1.179 20.798 ( 0.210 -1.167 -0.252) 1.212 20.798 ( 0.210 1.167 -0.252) 1.212 21.611 ( 1.803 -2.049 0.318) 2.747 21.611 ( 1.803 2.049 0.318) 2.747 21.730 ( -1.400 -0.963 0.483) 1.767 21.730 ( -1.400 0.963 0.483) 1.767 22.924 ( 0.820 -1.747 -3.029) 3.591 22.924 ( 0.820 1.747 -3.029) 3.591 23.181 ( -1.369 -0.147 1.464) 2.010 23.181 ( -1.369 0.147 1.464) 2.010 26.549 ( -0.366 -0.232 -0.720) 0.841 26.549 ( -0.366 0.232 -0.720) 0.841 26.597 ( 0.589 -0.011 0.505) 0.776 26.597 ( 0.589 0.011 0.505) 0.776 29.415 ( -0.174 -1.245 1.634) 2.061 29.415 ( -0.174 1.245 1.634) 2.061 29.579 ( 1.460 -4.791 -1.473) 5.221 29.579 ( 1.460 4.791 -1.473) 5.221 29.889 ( -1.451 -13.130 6.363) 14.663 29.889 ( -1.451 13.130 6.363) 14.663 30.529 ( -1.125 -0.438 0.167) 1.219 30.529 ( -1.125 0.438 0.167) 1.219 30.655 ( -0.836 -1.436 -2.740) 3.204 30.655 ( -0.836 1.436 -2.740) 3.204 30.902 ( 1.744 -4.689 -5.404) 7.364 30.902 ( 1.744 4.689 -5.404) 7.364 31.623 ( -0.100 -5.899 1.566) 6.104 31.623 ( -0.100 5.899 1.566) 6.104 32.091 ( -0.320 -1.529 0.813) 1.761 32.091 ( -0.320 1.529 0.813) 1.761 32.144 ( 3.262 -1.323 -1.518) 3.834 32.144 ( 3.262 1.323 -1.518) 3.834 32.255 ( -0.857 -2.429 -2.006) 3.265 32.255 ( -0.857 2.429 -2.006) 3.265 32.305 ( -1.334 -2.319 -2.271) 3.509 32.305 ( -1.334 2.319 -2.271) 3.509 32.924 ( -1.265 -22.895 -45.697) 51.127 32.924 ( -1.265 22.895 -45.697) 51.127 33.473 ( -1.637 -5.940 -12.364) 13.815 33.473 ( -1.637 5.940 -12.364) 13.815 33.843 ( -0.030 -1.548 -5.864) 6.065 33.843 ( -0.030 1.548 -5.864) 6.065 34.811 ( 0.342 -0.841 3.011) 3.145 34.811 ( 0.342 0.841 3.011) 3.145 34.882 ( 3.078 -0.297 2.248) 3.823 34.882 ( 3.078 0.297 2.248) 3.823 35.348 ( 1.687 -2.251 0.269) 2.825 35.348 ( 1.687 2.251 0.269) 2.825 35.382 ( 0.525 -2.036 -0.724) 2.224 35.382 ( 0.525 2.036 -0.724) 2.224 35.497 ( 1.286 -2.588 5.315) 6.049 35.497 ( 1.286 2.588 5.315) 6.049 35.944 ( 1.150 -1.417 -3.968) 4.367 35.944 ( 1.150 1.417 -3.968) 4.367 36.687 ( -4.855 -26.475 49.717) 56.535 36.687 ( -4.855 26.475 49.717) 56.535 38.229 ( 0.196 -11.873 -6.097) 13.348 38.229 ( 0.196 11.873 -6.097) 13.348 ======================= Grid point 63 (33/63) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 3.572 -17.437 5.056) 18.504 1.236 ( 3.572 17.437 5.056) 18.504 1.704 ( 3.317 -9.059 12.508) 15.796 1.704 ( 3.317 9.059 12.508) 15.796 1.842 ( 5.235 -10.527 5.589) 13.018 1.842 ( 5.235 10.527 5.589) 13.018 2.037 ( 4.304 -13.022 -0.528) 13.725 2.037 ( 4.304 13.022 -0.528) 13.725 2.315 ( 1.525 -9.660 3.819) 10.499 2.315 ( 1.525 9.660 3.819) 10.499 2.465 ( -1.450 -5.139 -2.260) 5.798 2.465 ( -1.450 5.139 -2.260) 5.798 2.521 ( 5.985 -4.072 -0.419) 7.251 2.521 ( 5.985 4.072 -0.419) 7.251 2.801 ( -2.294 -4.739 0.338) 5.276 2.801 ( -2.294 4.739 0.338) 5.276 2.864 ( 3.632 -2.742 2.745) 5.314 2.864 ( 3.632 2.742 2.745) 5.314 2.946 ( 0.309 -8.226 1.096) 8.304 2.946 ( 0.309 8.226 1.096) 8.304 3.079 ( 0.185 -2.084 -4.606) 5.059 3.079 ( 0.185 2.084 -4.606) 5.059 3.317 ( 1.722 -2.838 5.433) 6.367 3.317 ( 1.722 2.838 5.433) 6.367 3.420 ( 6.295 -5.442 -1.529) 8.461 3.420 ( 6.295 5.442 -1.529) 8.461 3.462 ( 0.505 -3.065 -4.493) 5.462 3.462 ( 0.505 3.065 -4.493) 5.462 3.654 ( 4.342 -5.125 4.023) 7.830 3.654 ( 4.342 5.125 4.023) 7.830 3.748 ( -4.929 -5.967 4.038) 8.730 3.748 ( -4.929 5.967 4.038) 8.730 3.951 ( -0.510 -8.511 2.049) 8.769 3.951 ( -0.510 8.511 2.049) 8.769 4.032 ( 2.995 -7.368 -4.282) 9.033 4.032 ( 2.995 7.368 -4.282) 9.033 4.222 ( 2.037 -2.497 -4.079) 5.198 4.222 ( 2.037 2.497 -4.079) 5.198 4.423 ( 3.106 -2.821 0.546) 4.232 4.423 ( 3.106 2.821 0.546) 4.232 4.570 ( -0.093 -1.873 -0.793) 2.037 4.570 ( -0.093 1.873 -0.793) 2.037 4.639 ( 0.582 -2.574 -1.865) 3.232 4.639 ( 0.582 2.574 -1.865) 3.232 4.738 ( -4.477 -2.907 -2.820) 6.037 4.738 ( -4.477 2.907 -2.820) 6.037 4.816 ( -1.741 -1.647 -2.541) 3.493 4.816 ( -1.741 1.647 -2.541) 3.493 5.085 ( -0.582 -3.510 0.547) 3.600 5.085 ( -0.582 3.510 0.547) 3.600 5.119 ( 0.723 -3.490 -1.481) 3.859 5.119 ( 0.723 3.490 -1.481) 3.859 5.245 ( -0.353 -4.868 -2.556) 5.510 5.245 ( -0.353 4.868 -2.556) 5.510 5.394 ( -3.550 -0.939 -0.672) 3.733 5.394 ( -3.550 0.939 -0.672) 3.733 5.476 ( -2.899 -2.815 -0.141) 4.043 5.476 ( -2.899 2.815 -0.141) 4.043 5.620 ( 4.292 -4.717 0.097) 6.378 5.620 ( 4.292 4.717 0.097) 6.378 5.836 ( 0.387 -1.478 0.101) 1.531 5.836 ( 0.387 1.478 0.101) 1.531 5.905 ( 1.834 -4.767 2.942) 5.894 5.905 ( 1.834 4.767 2.942) 5.894 6.099 ( -3.649 -4.079 2.090) 5.859 6.099 ( -3.649 4.079 2.090) 5.859 6.261 ( -3.556 -6.078 -2.268) 7.398 6.261 ( -3.556 6.078 -2.268) 7.398 6.450 ( -1.365 -2.142 1.153) 2.789 6.450 ( -1.365 2.142 1.153) 2.789 6.650 ( 3.782 -0.854 0.697) 3.940 6.650 ( 3.782 0.854 0.697) 3.940 6.820 ( -4.669 -5.667 -0.035) 7.343 6.820 ( -4.669 5.667 -0.035) 7.343 6.968 ( -0.100 -7.713 -0.594) 7.737 6.968 ( -0.100 7.713 -0.594) 7.737 8.118 ( -15.300 -4.166 -0.398) 15.862 8.118 ( -15.300 4.166 -0.398) 15.862 8.161 ( -12.318 -6.476 0.346) 13.921 8.161 ( -12.318 6.476 0.346) 13.921 8.722 ( 3.952 -3.582 -1.301) 5.490 8.722 ( 3.952 3.582 -1.301) 5.490 8.813 ( 5.380 -4.889 1.530) 7.430 8.813 ( 5.380 4.889 1.530) 7.430 8.932 ( -0.120 -2.287 -0.485) 2.341 8.932 ( -0.120 2.287 -0.485) 2.341 9.036 ( 2.951 -2.553 -0.915) 4.009 9.036 ( 2.951 2.553 -0.915) 4.009 9.145 ( 0.806 -1.734 2.316) 3.003 9.145 ( 0.806 1.734 2.316) 3.003 9.272 ( 1.318 -3.156 -2.546) 4.264 9.272 ( 1.318 3.156 -2.546) 4.264 9.784 ( -0.762 -3.670 1.755) 4.139 9.784 ( -0.762 3.670 1.755) 4.139 9.991 ( -7.379 -1.935 0.004) 7.629 9.991 ( -7.379 1.935 0.004) 7.629 10.142 ( -8.797 -4.751 0.105) 9.999 10.142 ( -8.797 4.751 0.105) 9.999 10.273 ( -5.244 -2.629 -2.374) 6.329 10.273 ( -5.244 2.629 -2.374) 6.329 10.601 ( -2.832 -4.346 0.940) 5.272 10.601 ( -2.832 4.346 0.940) 5.272 10.699 ( -1.980 -4.074 -0.669) 4.579 10.699 ( -1.980 4.074 -0.669) 4.579 11.286 ( 7.619 -0.808 -0.371) 7.671 11.286 ( 7.619 0.808 -0.371) 7.671 11.346 ( 7.525 -0.397 -0.013) 7.535 11.346 ( 7.525 0.397 -0.013) 7.535 11.958 ( 0.863 -3.127 1.923) 3.771 11.958 ( 0.863 3.127 1.923) 3.771 12.053 ( 0.583 -1.775 -0.962) 2.102 12.053 ( 0.583 1.775 -0.962) 2.102 12.168 ( -3.065 -1.095 1.581) 3.618 12.168 ( -3.065 1.095 1.581) 3.618 12.283 ( -3.188 -3.319 -2.027) 5.028 12.283 ( -3.188 3.319 -2.027) 5.028 12.680 ( 0.936 -4.602 0.442) 4.717 12.680 ( 0.936 4.602 0.442) 4.717 12.762 ( 1.376 -4.541 -0.075) 4.745 12.762 ( 1.376 4.541 -0.075) 4.745 13.303 ( 6.133 -4.339 0.219) 7.516 13.303 ( 6.133 4.339 0.219) 7.516 13.333 ( 8.335 -5.043 -0.236) 9.745 13.333 ( 8.335 5.043 -0.236) 9.745 14.140 ( -6.773 -1.835 0.744) 7.056 14.140 ( -6.773 1.835 0.744) 7.056 14.239 ( -8.031 -4.384 -1.379) 9.253 14.239 ( -8.031 4.384 -1.379) 9.253 14.472 ( 4.049 -3.489 1.125) 5.462 14.472 ( 4.049 3.489 1.125) 5.462 14.676 ( 2.726 -2.058 0.124) 3.418 14.676 ( 2.726 2.058 0.124) 3.418 14.892 ( 11.315 -7.451 1.365) 13.616 14.892 ( 11.315 7.451 1.365) 13.616 15.023 ( 12.709 -1.779 -3.122) 13.207 15.023 ( 12.709 1.779 -3.122) 13.207 15.344 ( -0.569 -10.919 2.265) 11.166 15.344 ( -0.569 10.919 2.265) 11.166 15.558 ( -7.614 -2.902 -1.910) 8.369 15.558 ( -7.614 2.902 -1.910) 8.369 15.672 ( 0.148 -1.822 1.632) 2.450 15.672 ( 0.148 1.822 1.632) 2.450 15.799 ( 1.037 -11.360 -7.607) 13.711 15.799 ( 1.037 11.360 -7.607) 13.711 16.326 ( 5.536 -0.998 -0.701) 5.669 16.326 ( 5.536 0.998 -0.701) 5.669 16.387 ( 4.594 -1.414 0.329) 4.818 16.387 ( 4.594 1.414 0.329) 4.818 17.147 ( -0.245 -0.434 -0.062) 0.502 17.147 ( -0.245 0.434 -0.062) 0.502 17.197 ( 0.656 -1.417 0.264) 1.584 17.197 ( 0.656 1.417 0.264) 1.584 19.638 ( 2.282 -2.944 -1.978) 4.217 19.638 ( 2.282 2.944 -1.978) 4.217 19.810 ( 3.045 -0.515 0.486) 3.126 19.810 ( 3.045 0.515 0.486) 3.126 20.544 ( -5.972 -1.784 0.862) 6.292 20.544 ( -5.972 1.784 0.862) 6.292 20.767 ( -3.203 -1.434 -0.630) 3.565 20.767 ( -3.203 1.434 -0.630) 3.565 21.703 ( 8.137 -1.832 -0.668) 8.368 21.703 ( 8.137 1.832 -0.668) 8.368 21.765 ( 4.541 -1.733 1.062) 4.975 21.765 ( 4.541 1.733 1.062) 4.975 22.863 ( -3.729 -2.218 -2.320) 4.921 22.863 ( -3.729 2.218 -2.320) 4.921 23.100 ( -9.177 -0.560 2.105) 9.432 23.100 ( -9.177 0.560 2.105) 9.432 26.658 ( 12.921 -0.815 0.138) 12.948 26.658 ( 12.921 0.815 0.138) 12.948 26.779 ( 18.608 -3.530 -1.956) 19.041 26.779 ( 18.608 3.530 -1.956) 19.041 29.266 ( -18.941 -6.647 0.545) 20.081 29.266 ( -18.941 6.647 0.545) 20.081 29.351 ( -17.875 -5.592 0.633) 18.740 29.351 ( -17.875 5.592 0.633) 18.740 30.173 ( 15.556 -10.138 6.023) 19.521 30.173 ( 15.556 10.138 6.023) 19.521 30.502 ( 1.262 -4.041 -2.030) 4.695 30.502 ( 1.262 4.041 -2.030) 4.695 30.656 ( 4.744 -1.094 -2.259) 5.367 30.656 ( 4.744 1.094 -2.259) 5.367 30.906 ( 5.851 -6.087 -4.966) 9.795 30.906 ( 5.851 6.087 -4.966) 9.795 31.636 ( -2.476 -7.340 2.964) 8.294 31.636 ( -2.476 7.340 2.964) 8.294 31.960 ( -12.155 -4.296 -3.205) 13.284 31.960 ( -12.155 4.296 -3.205) 13.284 32.031 ( -5.849 -5.292 -2.284) 8.211 32.031 ( -5.849 5.292 -2.284) 8.211 32.188 ( 2.332 -15.121 -17.697) 23.393 32.188 ( 2.332 15.121 -17.697) 23.393 32.418 ( 13.969 -1.874 -1.585) 14.183 32.418 ( 13.969 1.874 -1.585) 14.183 32.631 ( 11.679 -3.787 -7.828) 14.560 32.631 ( 11.679 3.787 -7.828) 14.560 33.406 ( -2.587 -0.757 1.177) 2.942 33.406 ( -2.587 0.757 1.177) 2.942 33.736 ( -3.923 -1.523 -5.135) 6.639 33.736 ( -3.923 1.523 -5.135) 6.639 34.815 ( -2.319 -2.150 1.202) 3.383 34.815 ( -2.319 2.150 1.202) 3.383 34.952 ( 2.178 -0.587 1.706) 2.828 34.952 ( 2.178 0.587 1.706) 2.828 35.376 ( 2.824 -2.615 -1.642) 4.184 35.376 ( 2.824 2.615 -1.642) 4.184 35.418 ( 3.997 -2.066 -1.315) 4.687 35.418 ( 3.997 2.066 -1.315) 4.687 35.603 ( 1.921 -1.441 7.361) 7.743 35.603 ( 1.921 1.441 7.361) 7.743 35.899 ( 2.071 -1.289 -6.790) 7.215 35.899 ( 2.071 1.289 -6.790) 7.215 37.081 ( -8.546 -21.629 31.837) 39.427 37.081 ( -8.546 21.629 31.837) 39.427 38.041 ( -10.958 -13.255 -8.068) 18.996 38.041 ( -10.958 13.255 -8.068) 18.996 ======================= Grid point 65 (34/63) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 15.246 -5.476 6.387) 17.413 1.505 ( 15.246 5.476 6.387) 17.413 1.834 ( 6.863 -6.774 -5.692) 11.198 1.834 ( 6.863 6.774 -5.692) 11.198 1.976 ( 2.487 -3.226 2.174) 4.618 1.976 ( 2.487 3.226 2.174) 4.618 2.088 ( 1.136 -7.408 -4.527) 8.756 2.088 ( 1.136 7.408 -4.527) 8.756 2.306 ( 1.908 -5.115 6.001) 8.113 2.306 ( 1.908 5.115 6.001) 8.113 2.483 ( 2.655 -4.820 2.560) 6.069 2.483 ( 2.655 4.820 2.560) 6.069 2.617 ( 1.526 -5.933 1.772) 6.377 2.617 ( 1.526 5.933 1.772) 6.377 2.780 ( -0.665 -3.162 3.409) 4.697 2.780 ( -0.665 3.162 3.409) 4.697 2.891 ( -2.384 -3.693 1.183) 4.552 2.891 ( -2.384 3.693 1.183) 4.552 2.993 ( -0.979 -1.243 -5.542) 5.764 2.993 ( -0.979 1.243 -5.542) 5.764 3.145 ( 9.649 -1.995 8.567) 13.057 3.145 ( 9.649 1.995 8.567) 13.057 3.318 ( -0.851 -5.468 -3.074) 6.330 3.318 ( -0.851 5.468 -3.074) 6.330 3.501 ( 7.231 -2.215 0.236) 7.567 3.501 ( 7.231 2.215 0.236) 7.567 3.624 ( 9.838 -5.099 -2.465) 11.351 3.624 ( 9.838 5.099 -2.465) 11.351 3.709 ( -2.262 -10.892 5.039) 12.213 3.709 ( -2.262 10.892 5.039) 12.213 3.807 ( 7.345 -0.782 3.876) 8.342 3.807 ( 7.345 0.782 3.876) 8.342 3.923 ( -0.960 -3.694 -2.196) 4.403 3.923 ( -0.960 3.694 -2.196) 4.403 4.059 ( 0.772 -4.836 -3.509) 6.025 4.059 ( 0.772 4.836 -3.509) 6.025 4.210 ( 1.435 -2.393 1.813) 3.328 4.210 ( 1.435 2.393 1.813) 3.328 4.388 ( -2.048 -3.985 -4.505) 6.354 4.388 ( -2.048 3.985 -4.505) 6.354 4.480 ( -2.622 -3.313 -7.407) 8.528 4.480 ( -2.622 3.313 -7.407) 8.528 4.669 ( 0.394 -2.852 0.581) 2.937 4.669 ( 0.394 2.852 0.581) 2.937 4.717 ( 1.620 -1.988 5.012) 5.630 4.717 ( 1.620 1.988 5.012) 5.630 4.821 ( 1.721 -1.847 0.779) 2.642 4.821 ( 1.721 1.847 0.779) 2.642 4.992 ( -4.388 -4.785 -3.042) 7.169 4.992 ( -4.388 4.785 -3.042) 7.169 5.118 ( 0.612 -1.915 -0.885) 2.196 5.118 ( 0.612 1.915 -0.885) 2.196 5.217 ( -2.867 -5.998 0.469) 6.664 5.217 ( -2.867 5.998 0.469) 6.664 5.335 ( -3.236 -5.003 2.292) 6.384 5.335 ( -3.236 5.003 2.292) 6.384 5.440 ( -2.104 -5.852 -1.099) 6.315 5.440 ( -2.104 5.852 -1.099) 6.315 5.605 ( -2.124 -2.414 -5.165) 6.084 5.605 ( -2.124 2.414 -5.165) 6.084 5.829 ( 2.581 -1.237 -1.030) 3.042 5.829 ( 2.581 1.237 -1.030) 3.042 5.979 ( -2.058 -3.057 2.445) 4.422 5.979 ( -2.058 3.057 2.445) 4.422 6.104 ( 2.753 -1.025 2.851) 4.094 6.104 ( 2.753 1.025 2.851) 4.094 6.191 ( -1.443 -2.642 -0.693) 3.089 6.191 ( -1.443 2.642 -0.693) 3.089 6.460 ( 0.413 -2.467 1.532) 2.933 6.460 ( 0.413 2.467 1.532) 2.933 6.681 ( -1.787 -1.533 -0.891) 2.518 6.681 ( -1.787 1.533 -0.891) 2.518 6.751 ( -0.794 -3.527 -0.511) 3.652 6.751 ( -0.794 3.527 -0.511) 3.652 6.938 ( -2.318 -6.998 -0.475) 7.387 6.938 ( -2.318 6.998 -0.475) 7.387 7.809 ( -18.558 -4.961 -0.518) 19.217 7.809 ( -18.558 4.961 -0.518) 19.217 7.941 ( -12.693 -8.421 -0.367) 15.237 7.941 ( -12.693 8.421 -0.367) 15.237 8.756 ( 1.885 -4.056 -1.258) 4.646 8.756 ( 1.885 4.056 -1.258) 4.646 8.835 ( -2.655 -0.214 1.593) 3.104 8.835 ( -2.655 0.214 1.593) 3.104 8.997 ( 4.592 -1.851 0.926) 5.036 8.997 ( 4.592 1.851 0.926) 5.036 9.076 ( 2.189 -1.819 -1.281) 3.121 9.076 ( 2.189 1.819 -1.281) 3.121 9.203 ( 3.385 -0.843 2.622) 4.364 9.203 ( 3.385 0.843 2.622) 4.364 9.281 ( 2.970 -0.502 -2.042) 3.639 9.281 ( 2.970 0.502 -2.042) 3.639 9.718 ( -8.305 -0.962 -0.306) 8.366 9.718 ( -8.305 0.962 -0.306) 8.366 9.846 ( -9.218 -1.764 0.049) 9.386 9.846 ( -9.218 1.764 0.049) 9.386 10.037 ( -4.358 -4.348 1.578) 6.355 10.037 ( -4.358 4.348 1.578) 6.355 10.147 ( -4.700 -1.311 -1.344) 5.061 10.147 ( -4.700 1.311 -1.344) 5.061 10.543 ( -3.913 -4.723 0.425) 6.148 10.543 ( -3.913 4.723 0.425) 6.148 10.662 ( -2.319 -3.620 -0.037) 4.299 10.662 ( -2.319 3.620 -0.037) 4.299 11.427 ( 8.882 -0.444 -0.684) 8.919 11.427 ( 8.882 0.444 -0.684) 8.919 11.504 ( 8.667 -1.501 0.810) 8.833 11.504 ( 8.667 1.501 0.810) 8.833 11.987 ( -1.141 -0.658 1.709) 2.157 11.987 ( -1.141 0.658 1.709) 2.157 12.062 ( 2.080 -2.047 -0.805) 3.027 12.062 ( 2.080 2.047 -0.805) 3.027 12.130 ( -3.108 -2.452 1.318) 4.172 12.130 ( -3.108 2.452 1.318) 4.172 12.209 ( -1.140 -2.023 -2.124) 3.147 12.209 ( -1.140 2.023 -2.124) 3.147 12.714 ( 1.541 -2.873 0.639) 3.322 12.714 ( 1.541 2.873 0.639) 3.322 12.776 ( 0.402 -2.667 -0.356) 2.720 12.776 ( 0.402 2.667 -0.356) 2.720 13.428 ( 6.567 -7.581 0.733) 10.056 13.428 ( 6.567 7.581 0.733) 10.056 13.467 ( 6.981 -8.119 -0.656) 10.727 13.467 ( 6.981 8.119 -0.656) 10.727 14.066 ( -1.832 -3.730 0.609) 4.200 14.066 ( -1.832 3.730 0.609) 4.200 14.125 ( -2.080 -3.836 -0.903) 4.456 14.125 ( -2.080 3.836 -0.903) 4.456 14.552 ( 0.275 -2.641 1.992) 3.319 14.552 ( 0.275 2.641 1.992) 3.319 14.667 ( -1.276 -1.661 -1.963) 2.871 14.667 ( -1.276 1.661 -1.963) 2.871 15.069 ( 3.460 -8.668 2.067) 9.559 15.069 ( 3.460 8.668 2.067) 9.559 15.192 ( 6.628 -4.224 -1.673) 8.036 15.192 ( 6.628 4.224 -1.673) 8.036 15.353 ( 1.196 -3.696 1.306) 4.098 15.353 ( 1.196 3.696 1.306) 4.098 15.404 ( -2.477 -2.977 -1.216) 4.059 15.404 ( -2.477 2.977 -1.216) 4.059 15.766 ( 6.640 -2.248 -4.719) 8.450 15.766 ( 6.640 2.248 -4.719) 8.450 15.807 ( 7.316 -0.544 2.252) 7.674 15.807 ( 7.316 0.544 2.252) 7.674 16.377 ( 1.379 -0.992 -1.419) 2.213 16.377 ( 1.379 0.992 -1.419) 2.213 16.467 ( 1.941 -1.088 2.098) 3.058 16.467 ( 1.941 1.088 2.098) 3.058 17.148 ( 0.798 -0.671 0.016) 1.043 17.148 ( 0.798 0.671 0.016) 1.043 17.211 ( 0.819 -1.266 -0.392) 1.558 17.211 ( 0.819 1.266 -0.392) 1.558 19.684 ( 5.666 -1.138 -1.110) 5.885 19.684 ( 5.666 1.138 -1.110) 5.885 19.898 ( 6.394 -0.176 0.587) 6.424 19.898 ( 6.394 0.176 0.587) 6.424 20.418 ( -9.609 -2.325 0.923) 9.929 20.418 ( -9.609 2.325 0.923) 9.929 20.678 ( -5.796 -2.032 -0.748) 6.187 20.678 ( -5.796 2.032 -0.748) 6.187 21.842 ( 10.039 -0.267 -1.847) 10.211 21.842 ( 10.039 0.267 -1.847) 10.211 21.913 ( 9.485 -0.819 1.637) 9.660 21.913 ( 9.485 0.819 1.637) 9.660 22.750 ( -6.587 -3.143 -1.313) 7.416 22.750 ( -6.587 3.143 -1.313) 7.416 22.942 ( -11.415 -1.838 1.740) 11.692 22.942 ( -11.415 1.838 1.740) 11.692 26.977 ( 21.790 -2.828 1.277) 22.010 26.977 ( 21.790 2.828 1.277) 22.010 27.112 ( 22.513 -3.967 -2.275) 22.973 27.112 ( 22.513 3.967 -2.275) 22.973 28.891 ( -23.360 -7.762 0.754) 24.627 28.891 ( -23.360 7.762 0.754) 24.627 28.993 ( -23.161 -5.997 -0.972) 23.945 28.993 ( -23.161 5.997 -0.972) 23.945 30.445 ( 9.719 -4.126 1.384) 10.649 30.445 ( 9.719 4.126 1.384) 10.649 30.570 ( 6.477 -3.679 1.347) 7.570 30.570 ( 6.477 3.679 1.347) 7.570 30.765 ( 9.206 -3.591 0.406) 9.890 30.765 ( 9.206 3.591 0.406) 9.890 30.963 ( 6.104 -5.646 -2.940) 8.819 30.963 ( 6.104 5.646 -2.940) 8.819 31.566 ( -9.777 -7.102 1.647) 12.195 31.566 ( -9.777 7.102 1.647) 12.195 31.661 ( -11.493 -6.822 -4.875) 14.227 31.661 ( -11.493 6.822 -4.875) 14.227 32.028 ( 3.390 -3.217 2.559) 5.328 32.028 ( 3.390 3.217 2.559) 5.328 32.105 ( 4.420 -3.586 -6.928) 8.966 32.105 ( 4.420 3.586 -6.928) 8.966 32.655 ( 12.057 -0.891 2.114) 12.274 32.655 ( 12.057 0.891 2.114) 12.274 32.828 ( 14.303 -0.343 -1.437) 14.379 32.828 ( 14.303 0.343 -1.437) 14.379 33.366 ( -3.976 -0.263 1.019) 4.113 33.366 ( -3.976 0.263 1.019) 4.113 33.602 ( -6.511 -0.306 -1.559) 6.702 33.602 ( -6.511 0.306 -1.559) 6.702 34.770 ( -2.693 -2.199 -0.850) 3.579 34.770 ( -2.693 2.199 -0.850) 3.579 35.001 ( 1.650 -1.429 0.863) 2.347 35.001 ( 1.650 1.429 0.863) 2.347 35.404 ( 2.399 -4.373 -1.416) 5.185 35.404 ( 2.399 4.373 -1.416) 5.185 35.466 ( 3.531 -2.885 -1.498) 4.800 35.466 ( 3.531 2.885 -1.498) 4.800 35.739 ( 3.310 -0.606 6.593) 7.402 35.739 ( 3.310 0.606 6.593) 7.402 35.863 ( 4.129 -1.881 -7.173) 8.487 35.863 ( 4.129 1.881 -7.173) 8.487 37.199 ( -10.285 -9.476 14.640) 20.246 37.199 ( -10.285 9.476 14.640) 20.246 37.705 ( -15.420 -9.959 -6.657) 19.526 37.705 ( -15.420 9.959 -6.657) 19.526 ======================= Grid point 67 (35/63) ======================= q-point: ( 0.38 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.212 -4.958 -6.452) 8.140 1.604 ( 0.212 4.958 -6.452) 8.140 1.920 ( -5.878 -6.320 4.021) 9.522 1.920 ( -5.878 6.320 4.021) 9.522 1.974 ( 15.108 -4.150 -1.696) 15.760 1.974 ( 15.108 4.150 -1.696) 15.760 2.277 ( 13.905 -6.406 0.585) 15.321 2.277 ( 13.905 6.406 0.585) 15.321 2.350 ( -3.394 -0.756 -5.308) 6.346 2.350 ( -3.394 0.756 -5.308) 6.346 2.537 ( 4.114 -1.869 1.901) 4.903 2.537 ( 4.114 1.869 1.901) 4.903 2.679 ( -4.865 -3.938 1.914) 6.545 2.679 ( -4.865 3.938 1.914) 6.545 2.794 ( 4.805 -2.962 -2.412) 6.138 2.794 ( 4.805 2.962 -2.412) 6.138 2.868 ( -2.134 -5.948 2.583) 6.827 2.868 ( -2.134 5.948 2.583) 6.827 2.976 ( 1.986 -5.090 0.945) 5.544 2.976 ( 1.986 5.090 0.945) 5.544 3.231 ( 2.848 -3.234 -4.226) 6.035 3.231 ( 2.848 3.234 -4.226) 6.035 3.446 ( 7.165 -1.878 3.343) 8.126 3.446 ( 7.165 1.878 3.343) 8.126 3.535 ( -4.105 -3.640 1.999) 5.839 3.535 ( -4.105 3.640 1.999) 5.839 3.577 ( -0.540 -4.128 -0.532) 4.197 3.577 ( -0.540 4.128 -0.532) 4.197 3.836 ( -0.597 -7.376 -4.704) 8.769 3.836 ( -0.597 7.376 -4.704) 8.769 3.897 ( 6.212 -3.422 -3.045) 7.719 3.897 ( 6.212 3.422 -3.045) 7.719 3.976 ( 3.505 -4.666 4.995) 7.681 3.976 ( 3.505 4.666 4.995) 7.681 3.996 ( -1.337 -4.197 1.560) 4.673 3.996 ( -1.337 4.197 1.560) 4.673 4.264 ( 0.200 -4.836 -4.062) 6.318 4.264 ( 0.200 4.836 -4.062) 6.318 4.306 ( 2.971 -0.175 -0.022) 2.977 4.306 ( 2.971 0.175 -0.022) 2.977 4.451 ( -0.341 -5.056 1.884) 5.406 4.451 ( -0.341 5.056 1.884) 5.406 4.627 ( -2.057 -3.337 -1.599) 4.233 4.627 ( -2.057 3.337 -1.599) 4.233 4.748 ( -1.204 -0.861 -1.175) 1.890 4.748 ( -1.204 0.861 -1.175) 1.890 4.881 ( 1.395 -4.588 2.122) 5.244 4.881 ( 1.395 4.588 2.122) 5.244 4.948 ( -2.026 -0.477 1.625) 2.641 4.948 ( -2.026 0.477 1.625) 2.641 5.090 ( -1.064 -0.504 0.544) 1.297 5.090 ( -1.064 0.504 0.544) 1.297 5.227 ( 0.924 -6.570 4.041) 7.768 5.227 ( 0.924 6.570 4.041) 7.768 5.334 ( 0.536 -3.703 1.429) 4.005 5.334 ( 0.536 3.703 1.429) 4.005 5.373 ( -2.175 -3.654 -1.693) 4.577 5.373 ( -2.175 3.654 -1.693) 4.577 5.519 ( -3.093 -3.952 -0.718) 5.070 5.519 ( -3.093 3.952 -0.718) 5.070 5.848 ( 0.279 -2.662 -1.024) 2.866 5.848 ( 0.279 2.662 -1.024) 2.866 5.940 ( -1.259 -0.539 -1.051) 1.726 5.940 ( -1.259 0.539 -1.051) 1.726 6.135 ( -0.719 -3.423 -0.860) 3.601 6.135 ( -0.719 3.423 -0.860) 3.601 6.241 ( 5.362 -0.973 -0.072) 5.450 6.241 ( 5.362 0.973 -0.072) 5.450 6.494 ( -0.258 -1.372 2.671) 3.014 6.494 ( -0.258 1.372 2.671) 3.014 6.599 ( -2.255 -0.689 -2.266) 3.270 6.599 ( -2.255 0.689 -2.266) 3.270 6.782 ( 1.829 -4.040 0.946) 4.534 6.782 ( 1.829 4.040 0.946) 4.534 6.907 ( -0.060 -3.911 0.008) 3.911 6.907 ( -0.060 3.911 0.008) 3.911 7.510 ( -14.609 -5.513 0.662) 15.629 7.510 ( -14.609 5.513 0.662) 15.629 7.738 ( -9.035 -8.835 -0.943) 12.672 7.738 ( -9.035 8.835 -0.943) 12.672 8.760 ( 0.101 -2.210 -0.686) 2.316 8.760 ( 0.101 2.210 -0.686) 2.316 8.817 ( -1.391 -1.653 1.436) 2.594 8.817 ( -1.391 1.653 1.436) 2.594 9.050 ( 0.579 -0.448 0.015) 0.732 9.050 ( 0.579 0.448 0.015) 0.732 9.087 ( 1.303 -1.448 -0.265) 1.966 9.087 ( 1.303 1.448 -0.265) 1.966 9.291 ( 2.871 -1.412 0.826) 3.304 9.291 ( 2.871 1.412 0.826) 3.304 9.345 ( 5.690 -1.122 0.546) 5.825 9.345 ( 5.690 1.122 0.546) 5.825 9.548 ( -8.993 -0.886 -0.538) 9.053 9.548 ( -8.993 0.886 -0.538) 9.053 9.693 ( -7.744 -1.740 -0.745) 7.972 9.693 ( -7.744 1.740 -0.745) 7.972 9.968 ( -2.028 -2.589 -2.299) 4.012 9.968 ( -2.028 2.589 -2.299) 4.012 10.117 ( -1.399 -3.782 1.984) 4.494 10.117 ( -1.399 3.782 1.984) 4.494 10.502 ( -1.598 -4.694 0.958) 5.050 10.502 ( -1.598 4.694 0.958) 5.050 10.618 ( -1.907 -2.673 -0.553) 3.329 10.618 ( -1.907 2.673 -0.553) 3.329 11.552 ( 5.431 -1.255 -0.054) 5.574 11.552 ( 5.431 1.255 -0.054) 5.574 11.623 ( 4.085 -1.181 0.351) 4.267 11.623 ( 4.085 1.181 0.351) 4.267 11.965 ( -1.420 -2.040 -0.326) 2.507 11.965 ( -1.420 2.040 -0.326) 2.507 12.071 ( -0.456 -0.663 -1.489) 1.693 12.071 ( -0.456 0.663 -1.489) 1.693 12.121 ( -0.059 -3.612 1.588) 3.946 12.121 ( -0.059 3.612 1.588) 3.946 12.210 ( 2.677 -1.506 -0.235) 3.080 12.210 ( 2.677 1.506 -0.235) 3.080 12.724 ( -0.883 -1.779 0.032) 1.987 12.724 ( -0.883 1.779 0.032) 1.987 12.770 ( -0.418 -1.286 -0.204) 1.368 12.770 ( -0.418 1.286 -0.204) 1.368 13.523 ( 3.327 -6.327 0.464) 7.163 13.523 ( 3.327 6.327 0.464) 7.163 13.543 ( 2.705 -6.412 -0.336) 6.967 13.543 ( 2.705 6.412 -0.336) 6.967 14.100 ( 4.475 -4.047 0.177) 6.036 14.100 ( 4.475 4.047 0.177) 6.036 14.149 ( 4.661 -1.237 -0.360) 4.836 14.149 ( 4.661 1.237 -0.360) 4.836 14.510 ( -5.948 -2.516 1.197) 6.568 14.510 ( -5.948 2.516 1.197) 6.568 14.595 ( -4.129 -5.306 -1.991) 7.012 14.595 ( -4.129 5.306 -1.991) 7.012 15.074 ( -2.427 -6.302 1.144) 6.849 15.074 ( -2.427 6.302 1.144) 6.849 15.153 ( -5.037 -6.252 -0.488) 8.043 15.153 ( -5.037 6.252 -0.488) 8.043 15.425 ( 5.548 -2.740 -0.982) 6.265 15.425 ( 5.548 2.740 -0.982) 6.265 15.480 ( 5.742 -2.652 0.744) 6.369 15.480 ( 5.742 2.652 0.744) 6.369 15.861 ( 8.318 -0.641 -1.374) 8.455 15.861 ( 8.318 0.641 -1.374) 8.455 15.959 ( 5.891 -0.681 1.069) 6.026 15.959 ( 5.891 0.681 1.069) 6.026 16.359 ( -1.435 -0.473 0.002) 1.511 16.359 ( -1.435 0.473 0.002) 1.511 16.476 ( -3.009 -0.865 1.179) 3.346 16.476 ( -3.009 0.865 1.179) 3.346 17.177 ( 1.987 -1.207 0.189) 2.332 17.177 ( 1.987 1.207 0.189) 2.332 17.211 ( 0.070 -0.623 -0.668) 0.916 17.211 ( 0.070 0.623 -0.668) 0.916 19.806 ( 8.926 -0.768 -0.153) 8.961 19.806 ( 8.926 0.768 -0.153) 8.961 20.027 ( 6.305 -1.129 1.077) 6.495 20.027 ( 6.305 1.129 1.077) 6.495 20.252 ( -10.611 -1.835 1.305) 10.847 20.252 ( -10.611 1.835 1.305) 10.847 20.566 ( -5.673 -1.992 -0.454) 6.029 20.566 ( -5.673 1.992 -0.454) 6.029 22.010 ( 10.623 -0.659 -0.449) 10.653 22.010 ( 10.623 0.659 -0.449) 10.653 22.084 ( 8.017 -0.748 0.201) 8.055 22.084 ( 8.017 0.748 0.201) 8.055 22.612 ( -7.421 -3.470 -0.693) 8.221 22.612 ( -7.421 3.470 -0.693) 8.221 22.770 ( -9.588 -2.038 0.705) 9.827 22.770 ( -9.588 2.038 0.705) 9.827 27.360 ( 21.157 -5.983 -1.620) 22.046 27.360 ( 21.157 5.983 -1.620) 22.046 27.499 ( 20.518 -9.181 2.907) 22.665 27.499 ( 20.518 9.181 2.907) 22.665 28.511 ( -21.778 -8.439 0.521) 23.362 28.511 ( -21.778 8.439 0.521) 23.362 28.584 ( -20.404 -8.936 -0.548) 22.282 28.584 ( -20.404 8.936 -0.548) 22.282 30.586 ( 6.786 -3.941 -0.582) 7.869 30.586 ( 6.786 3.941 -0.582) 7.869 30.686 ( 5.204 -2.383 -0.476) 5.744 30.686 ( 5.204 2.383 -0.476) 5.744 30.920 ( 5.122 -6.031 1.636) 8.080 30.920 ( 5.122 6.031 1.636) 8.080 31.053 ( 5.802 -5.789 0.933) 8.249 31.053 ( 5.802 5.789 0.933) 8.249 31.364 ( -9.302 -3.609 -2.517) 10.290 31.364 ( -9.302 3.609 -2.517) 10.290 31.507 ( -7.723 -1.551 4.394) 9.019 31.507 ( -7.723 1.551 4.394) 9.019 32.094 ( 3.228 -3.945 -1.861) 5.427 32.094 ( 3.228 3.945 -1.861) 5.427 32.186 ( 3.651 -9.409 6.905) 12.229 32.186 ( 3.651 9.409 6.905) 12.229 32.852 ( 6.607 -0.738 1.940) 6.926 32.852 ( 6.607 0.738 1.940) 6.926 33.046 ( 12.558 -0.683 -1.214) 12.635 33.046 ( 12.558 0.683 -1.214) 12.635 33.295 ( -3.800 -1.280 -0.620) 4.058 33.295 ( -3.800 1.280 -0.620) 4.058 33.478 ( -8.324 -0.701 1.913) 8.570 33.478 ( -8.324 0.701 1.913) 8.570 34.723 ( -1.058 -1.811 -0.615) 2.186 34.723 ( -1.058 1.811 -0.615) 2.186 35.022 ( 1.020 -1.826 -1.503) 2.576 35.022 ( 1.020 1.826 -1.503) 2.576 35.427 ( 1.372 -5.396 0.339) 5.578 35.427 ( 1.372 5.396 0.339) 5.578 35.502 ( 2.086 -3.258 -0.606) 3.916 35.502 ( 2.086 3.258 -0.606) 3.916 35.820 ( 5.493 -3.261 -6.510) 9.121 35.820 ( 5.493 3.261 -6.510) 9.121 35.881 ( 1.484 -1.902 -0.072) 2.413 35.881 ( 1.484 1.902 -0.072) 2.413 37.119 ( -6.309 -2.611 -0.070) 6.828 37.119 ( -6.309 2.611 -0.070) 6.828 37.429 ( -11.592 -1.247 0.348) 11.664 37.429 ( -11.592 1.247 0.348) 11.664 ======================= Grid point 69 (36/63) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 3.385 -5.776 0.845) 6.747 1.645 ( 3.385 5.776 0.845) 6.747 1.888 ( 0.344 -2.914 4.679) 5.523 1.888 ( 0.344 2.914 4.679) 5.523 2.085 ( -0.205 -3.694 -9.230) 9.944 2.085 ( -0.205 3.694 -9.230) 9.944 2.191 ( 1.388 -9.111 -4.182) 10.121 2.191 ( 1.388 9.111 -4.182) 10.121 2.446 ( -7.664 -3.240 -6.825) 10.762 2.446 ( -7.664 3.240 -6.825) 10.762 2.468 ( 1.978 -4.487 1.868) 5.247 2.468 ( 1.978 4.487 1.868) 5.247 2.664 ( 2.608 -4.930 -4.205) 6.985 2.664 ( 2.608 4.930 -4.205) 6.985 2.774 ( -6.303 -6.694 0.532) 9.210 2.774 ( -6.303 6.694 0.532) 9.210 2.892 ( -0.644 -1.903 0.266) 2.026 2.892 ( -0.644 1.903 0.266) 2.026 2.927 ( -0.557 -7.009 -0.463) 7.047 2.927 ( -0.557 7.009 -0.463) 7.047 3.335 ( 1.687 -1.433 -0.425) 2.254 3.335 ( 1.687 1.433 -0.425) 2.254 3.444 ( 1.196 -9.344 -0.412) 9.429 3.444 ( 1.196 9.344 -0.412) 9.429 3.536 ( -3.865 -4.466 1.121) 6.012 3.536 ( -3.865 4.466 1.121) 6.012 3.622 ( 1.088 -5.423 1.789) 5.813 3.622 ( 1.088 5.423 1.789) 5.813 3.740 ( 2.846 -4.624 -2.074) 5.812 3.740 ( 2.846 4.624 -2.074) 5.812 3.935 ( -0.810 -3.367 -0.204) 3.469 3.935 ( -0.810 3.367 -0.204) 3.469 3.986 ( 0.976 -1.810 -4.419) 4.874 3.986 ( 0.976 1.810 -4.419) 4.874 4.072 ( -0.325 -0.686 6.086) 6.134 4.072 ( -0.325 0.686 6.086) 6.134 4.226 ( -1.389 -2.177 -1.074) 2.797 4.226 ( -1.389 2.177 -1.074) 2.797 4.387 ( 1.990 -0.706 -3.159) 3.799 4.387 ( 1.990 0.706 -3.159) 3.799 4.426 ( 2.343 -1.190 2.089) 3.357 4.426 ( 2.343 1.190 2.089) 3.357 4.619 ( 0.604 -4.480 -1.898) 4.903 4.619 ( 0.604 4.480 -1.898) 4.903 4.721 ( 0.232 -2.722 0.635) 2.805 4.721 ( 0.232 2.722 0.635) 2.805 4.851 ( -3.072 -4.202 0.320) 5.215 4.851 ( -3.072 4.202 0.320) 5.215 4.953 ( 0.907 -2.647 2.198) 3.558 4.953 ( 0.907 2.647 2.198) 3.558 5.173 ( 0.134 -1.673 6.584) 6.794 5.173 ( 0.134 1.673 6.584) 6.794 5.230 ( -1.495 -5.955 1.066) 6.231 5.230 ( -1.495 5.955 1.066) 6.231 5.315 ( -2.443 -4.954 -0.927) 5.601 5.315 ( -2.443 4.954 -0.927) 5.601 5.415 ( 1.554 -3.094 2.577) 4.316 5.415 ( 1.554 3.094 2.577) 4.316 5.505 ( 2.368 -3.621 2.271) 4.887 5.505 ( 2.368 3.621 2.271) 4.887 5.814 ( -1.342 -3.202 -1.019) 3.618 5.814 ( -1.342 3.202 -1.019) 3.618 5.954 ( 3.744 -1.504 -1.903) 4.461 5.954 ( 3.744 1.504 -1.903) 4.461 6.100 ( -1.187 -3.564 -0.894) 3.861 6.100 ( -1.187 3.564 -0.894) 3.861 6.260 ( -1.744 -1.696 -3.623) 4.364 6.260 ( -1.744 1.696 -3.623) 4.364 6.511 ( -0.687 -1.221 1.844) 2.316 6.511 ( -0.687 1.221 1.844) 2.316 6.609 ( 3.882 -1.073 0.886) 4.124 6.609 ( 3.882 1.073 0.886) 4.124 6.788 ( -2.219 -3.126 0.303) 3.845 6.788 ( -2.219 3.126 0.303) 3.845 6.907 ( -1.254 -0.640 -0.434) 1.473 6.907 ( -1.254 0.640 -0.434) 1.473 7.406 ( 1.002 -6.048 3.593) 7.105 7.406 ( 1.002 6.048 3.593) 7.105 7.646 ( 0.792 -7.687 -1.337) 7.843 7.646 ( 0.792 7.687 -1.338) 7.843 8.750 ( -0.183 -0.727 -0.522) 0.913 8.750 ( -0.183 0.727 -0.522) 0.913 8.821 ( -0.180 -2.039 1.266) 2.407 8.821 ( -0.180 2.039 1.266) 2.407 9.052 ( 0.072 -0.350 0.285) 0.457 9.052 ( 0.072 0.350 0.285) 0.457 9.102 ( 0.632 -2.809 -0.450) 2.914 9.102 ( 0.632 2.809 -0.450) 2.914 9.338 ( -2.458 -1.041 1.413) 3.020 9.338 ( -2.458 1.041 1.413) 3.020 9.388 ( 0.535 -2.010 0.583) 2.161 9.388 ( 0.535 2.010 0.583) 2.161 9.461 ( 0.006 -1.452 -1.597) 2.158 9.461 ( 0.006 1.452 -1.597) 2.158 9.600 ( 0.721 -0.732 -1.183) 1.567 9.600 ( 0.721 0.732 -1.183) 1.567 9.947 ( 1.637 -0.645 -1.271) 2.171 9.947 ( 1.637 0.645 -1.271) 2.171 10.101 ( -1.559 -2.510 0.282) 2.968 10.101 ( -1.559 2.510 0.282) 2.968 10.503 ( -0.451 -4.564 1.572) 4.848 10.503 ( -0.451 4.564 1.572) 4.848 10.598 ( 0.484 -2.709 -0.549) 2.806 10.598 ( 0.484 2.709 -0.549) 2.806 11.598 ( -0.056 -1.718 0.208) 1.732 11.598 ( -0.056 1.718 0.208) 1.732 11.659 ( -0.198 -1.185 0.070) 1.203 11.659 ( -0.198 1.185 0.070) 1.203 11.948 ( 0.074 -1.348 -0.689) 1.516 11.948 ( 0.074 1.348 -0.689) 1.516 12.032 ( -0.423 -1.212 -2.402) 2.723 12.032 ( -0.423 1.212 -2.402) 2.723 12.142 ( -0.087 -2.296 1.369) 2.675 12.142 ( -0.087 2.296 1.369) 2.675 12.247 ( 0.392 -2.134 0.387) 2.204 12.247 ( 0.392 2.134 0.387) 2.204 12.712 ( 0.013 -1.493 0.130) 1.499 12.712 ( 0.013 1.493 0.130) 1.499 12.761 ( 0.035 -1.162 -0.405) 1.231 12.761 ( 0.035 1.162 -0.405) 1.231 13.543 ( -0.564 -1.285 -0.511) 1.493 13.543 ( -0.564 1.285 -0.511) 1.493 13.571 ( 0.416 -2.201 0.433) 2.281 13.571 ( 0.416 2.201 0.433) 2.281 14.161 ( 0.102 -5.686 0.327) 5.696 14.161 ( 0.102 5.686 0.327) 5.696 14.208 ( 0.087 -2.650 -0.296) 2.667 14.208 ( 0.087 2.650 -0.296) 2.667 14.438 ( -1.259 -0.981 0.369) 1.638 14.438 ( -1.259 0.981 0.369) 1.638 14.533 ( 1.519 -1.977 -1.424) 2.871 14.533 ( 1.519 1.977 -1.424) 2.871 15.051 ( -0.983 -3.149 0.250) 3.309 15.051 ( -0.983 3.149 0.250) 3.309 15.099 ( 0.316 -3.476 -0.439) 3.518 15.099 ( 0.316 3.476 -0.439) 3.518 15.482 ( 0.551 -1.547 0.398) 1.689 15.482 ( 0.551 1.547 0.398) 1.689 15.526 ( -0.620 -2.359 -0.603) 2.512 15.526 ( -0.620 2.359 -0.603) 2.512 15.959 ( 2.161 -1.256 0.509) 2.551 15.959 ( 2.161 1.256 0.509) 2.551 16.011 ( -0.756 -0.963 -0.049) 1.225 16.011 ( -0.756 0.963 -0.049) 1.225 16.351 ( -0.376 -0.265 1.385) 1.459 16.351 ( -0.376 0.265 1.385) 1.459 16.435 ( -0.545 -1.111 -0.301) 1.274 16.435 ( -0.545 1.111 -0.301) 1.274 17.182 ( -0.649 -1.109 -1.066) 1.670 17.182 ( -0.649 1.109 -1.066) 1.670 17.223 ( 0.968 -0.654 0.555) 1.293 17.223 ( 0.968 0.654 0.555) 1.293 19.933 ( 1.614 -0.671 -0.177) 1.757 19.933 ( 1.614 0.671 -0.177) 1.757 20.075 ( -0.041 -0.946 0.279) 0.987 20.075 ( -0.041 0.946 0.279) 0.987 20.149 ( -2.788 -1.271 2.687) 4.075 20.149 ( -2.788 1.271 2.687) 4.075 20.513 ( 0.864 -1.774 0.223) 1.986 20.513 ( 0.864 1.774 0.223) 1.986 22.130 ( -0.426 -4.109 0.460) 4.157 22.130 ( -0.426 4.109 0.460) 4.157 22.160 ( 0.781 -3.943 -0.246) 4.027 22.160 ( 0.781 3.943 -0.246) 4.027 22.529 ( 0.882 -2.122 -0.489) 2.349 22.529 ( 0.882 2.122 -0.489) 2.349 22.670 ( -1.192 -1.447 -0.015) 1.875 22.670 ( -1.192 1.447 -0.015) 1.875 27.607 ( 2.602 -7.503 0.618) 7.966 27.607 ( 2.602 7.503 0.618) 7.966 27.701 ( -3.667 -9.426 -0.552) 10.130 27.701 ( -3.667 9.426 -0.552) 10.130 28.276 ( 0.933 -5.587 0.379) 5.677 28.276 ( 0.933 5.587 0.379) 5.677 28.391 ( 0.309 -6.386 2.246) 6.777 28.391 ( 0.309 6.386 2.246) 6.777 30.640 ( -0.419 -1.787 -0.725) 1.973 30.640 ( -0.419 1.787 -0.725) 1.973 30.718 ( -0.150 -1.012 -1.774) 2.048 30.718 ( -0.150 1.012 -1.774) 2.048 30.990 ( 0.816 -1.218 2.136) 2.591 30.990 ( 0.816 1.218 2.136) 2.591 31.090 ( -2.678 -2.009 -1.172) 3.547 31.090 ( -2.678 2.009 -1.172) 3.547 31.289 ( 2.381 -2.169 0.894) 3.343 31.289 ( 2.381 2.169 0.894) 3.343 31.506 ( 0.094 -2.958 7.145) 7.734 31.506 ( 0.094 2.958 7.145) 7.734 32.128 ( 0.095 -2.068 2.201) 3.022 32.128 ( 0.095 2.068 2.201) 3.022 32.323 ( 0.348 -4.588 9.830) 10.854 32.323 ( 0.348 4.588 9.830) 10.854 32.886 ( -2.351 -0.823 -2.012) 3.202 32.886 ( -2.351 0.823 -2.012) 3.202 33.189 ( 1.787 -0.405 -1.496) 2.365 33.189 ( 1.787 0.405 -1.496) 2.365 33.268 ( 0.333 -1.014 1.266) 1.656 33.268 ( 0.333 1.014 1.266) 1.656 33.383 ( -1.237 -0.153 2.106) 2.447 33.383 ( -1.237 0.153 2.106) 2.447 34.729 ( 0.885 -1.594 1.557) 2.397 34.729 ( 0.885 1.594 1.557) 2.397 35.000 ( 0.042 -1.669 -3.371) 3.762 35.000 ( 0.042 1.669 -3.371) 3.762 35.456 ( 0.578 -3.959 0.785) 4.077 35.456 ( 0.578 3.959 0.785) 4.077 35.530 ( 1.092 -4.278 1.414) 4.636 35.530 ( 1.092 4.278 1.414) 4.636 35.788 ( -1.247 -3.191 -7.852) 8.567 35.788 ( -1.247 3.191 -7.852) 8.567 35.846 ( 3.068 -2.171 -7.783) 8.643 35.846 ( 3.068 2.171 -7.783) 8.643 37.047 ( -8.096 -3.353 2.116) 9.015 37.047 ( -8.096 3.353 2.116) 9.015 37.328 ( 4.966 -6.671 -1.603) 8.470 37.328 ( 4.966 6.671 -1.603) 8.470 ======================= Grid point 71 (37/63) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -10.467 -8.341 -2.368) 13.592 1.537 ( -10.467 8.341 -2.368) 13.592 1.869 ( -4.709 -4.632 -6.311) 9.136 1.869 ( -4.709 4.632 -6.311) 9.136 1.974 ( -14.493 -2.675 -10.996) 18.388 1.974 ( -14.493 2.675 -10.996) 18.388 2.194 ( 4.351 -4.839 2.690) 7.041 2.194 ( 4.351 4.839 2.690) 7.041 2.323 ( -0.029 -8.765 5.400) 10.295 2.323 ( -0.029 8.765 5.400) 10.295 2.453 ( -0.970 -1.939 -0.725) 2.286 2.453 ( -0.970 1.939 -0.725) 2.286 2.564 ( -1.057 -5.170 -1.287) 5.431 2.564 ( -1.057 5.170 -1.287) 5.431 2.752 ( 1.972 -1.449 -1.199) 2.725 2.752 ( 1.972 1.449 -1.199) 2.725 2.858 ( -2.443 -4.088 2.034) 5.178 2.858 ( -2.443 4.088 2.034) 5.178 3.049 ( 6.145 -7.153 5.424) 10.879 3.049 ( 6.145 7.153 5.424) 10.879 3.168 ( -9.524 -0.810 -7.434) 12.109 3.168 ( -9.524 0.810 -7.434) 12.109 3.346 ( -5.536 -5.883 0.764) 8.115 3.346 ( -5.536 5.883 0.764) 8.115 3.562 ( -2.019 -6.358 -0.224) 6.675 3.562 ( -2.019 6.358 -0.224) 6.675 3.626 ( -4.137 -3.127 -2.809) 5.898 3.626 ( -4.137 3.127 -2.809) 5.898 3.706 ( -5.884 -7.269 -3.521) 9.992 3.706 ( -5.884 7.269 -3.521) 9.992 3.891 ( -4.353 -6.118 0.886) 7.560 3.891 ( -4.353 6.118 0.886) 7.560 3.996 ( 1.332 -4.944 3.446) 6.172 3.996 ( 1.332 4.944 3.446) 6.172 4.146 ( 2.896 -1.990 1.994) 4.040 4.146 ( 2.896 1.990 1.994) 4.040 4.189 ( 3.603 -4.119 -0.131) 5.474 4.189 ( 3.603 4.119 -0.131) 5.474 4.424 ( 4.751 -2.250 -4.232) 6.749 4.424 ( 4.751 2.250 -4.232) 6.749 4.483 ( -2.373 -3.315 -1.901) 4.498 4.483 ( -2.373 3.315 -1.901) 4.498 4.555 ( 2.053 -2.894 -0.921) 3.666 4.555 ( 2.053 2.894 -0.921) 3.666 4.763 ( -0.055 -5.654 4.751) 7.385 4.763 ( -0.055 5.654 4.751) 7.385 4.860 ( -0.787 -5.810 -0.965) 5.942 4.860 ( -0.787 5.810 -0.965) 5.942 5.024 ( 4.008 -4.262 5.607) 8.103 5.024 ( 4.008 4.262 5.607) 8.103 5.147 ( -1.795 -1.950 -1.318) 2.961 5.147 ( -1.795 1.950 -1.318) 2.961 5.248 ( -2.922 -7.329 0.981) 7.950 5.248 ( -2.922 7.329 0.981) 7.950 5.293 ( 0.241 -6.035 4.053) 7.273 5.293 ( 0.241 6.035 4.053) 7.273 5.482 ( -0.153 -2.565 3.101) 4.027 5.482 ( -0.153 2.565 3.101) 4.027 5.606 ( 7.380 -1.675 -0.003) 7.568 5.606 ( 7.380 1.675 -0.003) 7.568 5.800 ( 1.276 -4.185 -1.677) 4.685 5.800 ( 1.276 4.185 -1.677) 4.685 5.974 ( 0.598 -1.854 -1.091) 2.233 5.974 ( 0.598 1.854 -1.091) 2.233 6.058 ( -2.761 -3.128 -2.216) 4.724 6.058 ( -2.761 3.128 -2.216) 4.724 6.174 ( -1.788 -0.869 -1.427) 2.447 6.174 ( -1.788 0.869 -1.427) 2.447 6.490 ( -2.923 -1.015 1.487) 3.433 6.490 ( -2.923 1.015 1.487) 3.433 6.685 ( 1.460 -0.477 -0.016) 1.536 6.685 ( 1.460 0.477 -0.016) 1.536 6.766 ( -0.086 -3.122 0.872) 3.243 6.766 ( -0.086 3.122 0.872) 3.243 6.875 ( 0.370 -1.573 -0.701) 1.762 6.875 ( 0.370 1.573 -0.701) 1.762 7.583 ( 12.412 -5.476 2.902) 13.873 7.583 ( 12.412 5.476 2.902) 13.873 7.727 ( 10.094 -5.375 -1.866) 11.587 7.727 ( 10.094 5.375 -1.866) 11.587 8.746 ( 0.512 -1.225 -0.608) 1.460 8.746 ( 0.512 1.225 -0.608) 1.460 8.842 ( 0.530 -2.154 1.607) 2.739 8.842 ( 0.530 2.154 1.607) 2.739 9.047 ( -1.760 -0.463 0.529) 1.895 9.047 ( -1.760 0.463 0.529) 1.895 9.103 ( 0.409 -2.983 -0.850) 3.128 9.103 ( 0.409 2.983 -0.850) 3.128 9.255 ( -6.208 -1.500 0.646) 6.419 9.255 ( -6.208 1.500 0.646) 6.419 9.363 ( -3.072 -1.532 0.517) 3.471 9.363 ( -3.072 1.532 0.517) 3.471 9.556 ( 10.227 -1.215 0.324) 10.304 9.556 ( 10.227 1.215 0.324) 10.304 9.660 ( 6.457 -1.312 -2.048) 6.900 9.660 ( 6.457 1.312 -2.048) 6.900 9.943 ( 0.469 -4.632 -2.234) 5.164 9.943 ( 0.469 4.632 -2.234) 5.164 10.127 ( 3.772 -0.951 1.580) 4.199 10.127 ( 3.772 0.951 1.580) 4.199 10.526 ( 0.849 -4.661 1.894) 5.103 10.526 ( 0.849 4.661 1.894) 5.103 10.610 ( 1.858 -3.268 -1.106) 3.918 10.610 ( 1.858 3.268 -1.106) 3.918 11.562 ( -4.572 -0.240 0.177) 4.582 11.562 ( -4.572 0.240 0.177) 4.582 11.612 ( -5.311 -0.814 0.134) 5.375 11.612 ( -5.311 0.814 0.134) 5.375 11.943 ( 0.354 -0.604 -0.717) 1.002 11.943 ( 0.354 0.604 -0.717) 1.002 12.020 ( 1.874 -2.167 -1.367) 3.175 12.020 ( 1.874 2.167 -1.367) 3.175 12.141 ( -1.351 -2.032 0.750) 2.553 12.141 ( -1.351 2.032 0.750) 2.553 12.241 ( -0.746 -1.999 0.416) 2.174 12.241 ( -0.746 1.999 0.416) 2.174 12.715 ( -0.260 -2.628 -0.225) 2.650 12.715 ( -0.260 2.628 -0.225) 2.650 12.771 ( 1.292 -1.942 -0.133) 2.337 12.771 ( 1.292 1.942 -0.133) 2.337 13.504 ( -3.522 -5.001 -0.070) 6.117 13.504 ( -3.522 5.001 -0.070) 6.117 13.559 ( -2.455 -5.522 0.155) 6.045 13.559 ( -2.455 5.522 0.155) 6.045 14.107 ( -5.056 -3.169 0.389) 5.979 14.107 ( -5.056 3.169 0.389) 5.979 14.146 ( -3.935 -2.557 -0.506) 4.720 14.146 ( -3.935 2.557 -0.506) 4.720 14.482 ( 3.678 -4.749 0.204) 6.010 14.482 ( 3.678 4.749 0.204) 6.010 14.604 ( 6.454 -2.260 -1.432) 6.986 14.604 ( 6.454 2.260 -1.432) 6.986 15.063 ( 1.360 -5.806 0.877) 6.027 15.063 ( 1.360 5.806 0.877) 6.027 15.148 ( 5.667 -6.634 -0.563) 8.743 15.148 ( 5.667 6.634 -0.563) 8.743 15.407 ( -7.348 -1.828 -1.091) 7.650 15.407 ( -7.348 1.828 -1.091) 7.650 15.491 ( -3.878 -2.732 0.726) 4.799 15.491 ( -3.878 2.732 0.726) 4.799 15.914 ( -8.039 -0.612 -1.355) 8.176 15.914 ( -8.039 0.612 -1.355) 8.176 15.963 ( -3.202 -3.634 2.138) 5.295 15.963 ( -3.202 3.634 2.138) 5.295 16.381 ( 1.943 -1.619 0.344) 2.553 16.381 ( 1.943 1.619 0.344) 2.553 16.464 ( 2.490 -1.150 1.149) 2.973 16.464 ( 2.490 1.150 1.149) 2.973 17.157 ( -0.882 -0.410 -0.400) 1.052 17.157 ( -0.882 0.410 -0.400) 1.052 17.230 ( -0.556 -1.247 -0.124) 1.371 17.230 ( -0.556 1.247 -0.124) 1.371 19.841 ( -7.368 -2.113 0.310) 7.671 19.841 ( -7.368 2.113 0.310) 7.671 20.047 ( -7.151 -0.942 1.908) 7.461 20.047 ( -7.151 0.942 1.908) 7.461 20.237 ( 9.244 -2.057 0.940) 9.517 20.237 ( 9.244 2.057 0.940) 9.517 20.587 ( 6.121 -1.305 0.032) 6.258 20.587 ( 6.121 1.305 0.032) 6.258 22.035 ( -9.325 -3.776 0.007) 10.061 22.035 ( -9.325 3.776 0.007) 10.061 22.063 ( -9.550 -3.162 -0.170) 10.062 22.063 ( -9.550 3.162 -0.170) 10.062 22.639 ( 9.988 -1.222 -0.397) 10.070 22.639 ( 9.988 1.222 -0.397) 10.070 22.729 ( 6.867 -1.601 0.093) 7.052 22.729 ( 6.867 1.601 0.093) 7.052 27.322 ( -23.082 -5.566 -1.207) 23.774 27.322 ( -23.082 5.566 -1.207) 23.774 27.578 ( -15.621 -12.900 3.347) 20.534 27.578 ( -15.621 12.900 3.347) 20.534 28.497 ( 20.709 -5.807 0.103) 21.508 28.497 ( 20.709 5.807 0.103) 21.508 28.627 ( 19.305 -4.932 0.489) 19.931 28.627 ( 19.305 4.932 0.489) 19.931 30.557 ( -7.771 -2.055 -0.562) 8.058 30.557 ( -7.771 2.055 -0.562) 8.058 30.647 ( -5.085 -1.330 -0.972) 5.345 30.647 ( -5.085 1.330 -0.972) 5.345 30.942 ( -7.618 -2.885 1.216) 8.236 30.942 ( -7.618 2.885 1.216) 8.236 31.075 ( 0.075 -3.485 1.099) 3.655 31.075 ( 0.075 3.485 1.099) 3.655 31.374 ( 6.918 -4.191 -0.828) 8.131 31.374 ( 6.918 4.191 -0.828) 8.131 31.656 ( 7.069 -5.089 4.453) 9.783 31.656 ( 7.069 5.089 4.453) 9.783 32.120 ( -5.646 -6.197 3.398) 9.046 32.120 ( -5.646 6.197 3.398) 9.046 32.481 ( 2.241 -10.556 12.604) 16.593 32.481 ( 2.241 10.556 12.604) 16.593 32.782 ( -5.027 -0.420 -0.813) 5.110 32.782 ( -5.027 0.420 -0.813) 5.110 33.072 ( -10.390 -0.489 -0.246) 10.405 33.072 ( -10.390 0.489 -0.246) 10.405 33.287 ( 2.844 -2.439 1.063) 3.894 33.287 ( 2.844 2.439 1.063) 3.894 33.538 ( 10.268 -1.015 2.641) 10.651 33.538 ( 10.268 1.015 2.641) 10.651 34.773 ( 0.585 -1.519 2.573) 3.045 34.773 ( 0.585 1.519 2.573) 3.045 34.950 ( -0.388 -0.795 -4.089) 4.184 34.950 ( -0.388 0.795 -4.089) 4.184 35.452 ( -0.847 -2.113 -0.788) 2.409 35.452 ( -0.847 2.113 -0.788) 2.409 35.575 ( -0.642 -4.336 2.473) 5.033 35.575 ( -0.642 4.336 2.473) 5.033 35.634 ( -4.069 -1.322 -4.080) 5.912 35.634 ( -4.069 1.322 -4.080) 5.912 35.807 ( 5.969 -3.079 -13.144) 14.760 35.807 ( 5.969 3.079 -13.144) 14.760 36.807 ( -16.578 -8.573 -3.486) 18.986 36.807 ( -16.578 8.573 -3.486) 18.986 37.571 ( 18.635 -10.856 1.863) 21.647 37.571 ( 18.635 10.856 1.863) 21.647 ======================= Grid point 73 (38/63) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -16.131 -16.899 -1.828) 23.433 1.290 ( -16.131 16.899 -1.828) 23.433 1.511 ( -19.092 -13.112 -2.265) 23.271 1.511 ( -19.092 13.112 -2.265) 23.271 1.789 ( -1.787 -4.665 -0.973) 5.089 1.789 ( -1.787 4.665 -0.973) 5.089 2.180 ( -1.200 -10.755 -1.340) 10.904 2.180 ( -1.200 10.755 -1.340) 10.904 2.359 ( -6.175 -7.456 -0.290) 9.685 2.359 ( -6.175 7.456 -0.290) 9.685 2.416 ( 2.929 -8.009 0.620) 8.551 2.416 ( 2.929 8.009 0.620) 8.551 2.649 ( 0.835 -2.253 0.824) 2.540 2.649 ( 0.835 2.253 0.824) 2.540 2.807 ( 3.137 -2.664 1.348) 4.331 2.807 ( 3.137 2.664 1.348) 4.331 2.903 ( -1.627 -8.732 0.826) 8.921 2.903 ( -1.627 8.732 0.826) 8.921 2.948 ( -0.974 -5.527 -0.361) 5.623 2.948 ( -0.974 5.527 -0.361) 5.623 3.198 ( 0.498 -2.609 5.168) 5.810 3.198 ( 0.498 2.609 5.168) 5.810 3.309 ( -4.638 -3.170 1.647) 5.855 3.309 ( -4.638 3.170 1.647) 5.855 3.351 ( -9.635 -4.961 -3.782) 11.478 3.351 ( -9.635 4.961 -3.782) 11.478 3.504 ( -4.479 -7.577 -2.629) 9.187 3.504 ( -4.479 7.577 -2.629) 9.187 3.606 ( -2.185 -4.409 0.955) 5.012 3.606 ( -2.185 4.409 0.955) 5.012 3.856 ( -0.297 -3.846 -0.236) 3.864 3.856 ( -0.297 3.846 -0.236) 3.864 4.001 ( -6.205 -4.682 5.564) 9.559 4.001 ( -6.205 4.682 5.564) 9.559 4.156 ( -0.932 -0.446 0.471) 1.135 4.156 ( -0.932 0.446 0.471) 1.135 4.328 ( -1.823 -2.162 -7.133) 7.673 4.328 ( -1.823 2.162 -7.133) 7.673 4.359 ( 1.241 -3.330 1.197) 3.749 4.359 ( 1.241 3.330 1.197) 3.749 4.409 ( 4.131 -4.499 -4.097) 7.355 4.409 ( 4.131 4.499 -4.097) 7.355 4.654 ( 3.886 -3.284 -0.430) 5.106 4.654 ( 3.886 3.284 -0.430) 5.106 4.790 ( 0.606 -4.823 -0.245) 4.867 4.790 ( 0.606 4.823 -0.245) 4.867 4.864 ( 2.087 -4.275 4.399) 6.479 4.864 ( 2.087 4.275 4.399) 6.479 5.085 ( -0.692 -0.499 -1.076) 1.373 5.085 ( -0.692 0.499 -1.076) 1.373 5.133 ( -2.434 -2.330 1.901) 3.869 5.133 ( -2.434 2.330 1.901) 3.869 5.301 ( 4.509 -2.941 2.074) 5.769 5.301 ( 4.509 2.941 2.074) 5.769 5.336 ( 3.531 -4.526 0.400) 5.754 5.336 ( 3.531 4.526 0.400) 5.754 5.462 ( -2.521 -2.795 0.315) 3.776 5.462 ( -2.521 2.795 0.315) 3.776 5.652 ( -0.527 -1.119 -4.338) 4.511 5.652 ( -0.526 1.119 -4.338) 4.511 5.823 ( 2.002 -3.866 -0.826) 4.431 5.823 ( 2.002 3.866 -0.826) 4.431 5.929 ( -4.610 -2.858 0.647) 5.462 5.929 ( -4.610 2.858 0.647) 5.462 6.032 ( 1.402 -1.142 0.610) 1.909 6.032 ( 1.402 1.142 0.610) 1.909 6.189 ( 4.631 -3.147 0.070) 5.600 6.189 ( 4.631 3.147 0.070) 5.600 6.487 ( -0.312 -0.471 3.050) 3.102 6.487 ( -0.312 0.471 3.050) 3.102 6.648 ( -3.043 -1.451 -2.290) 4.076 6.648 ( -3.043 1.451 -2.290) 4.076 6.778 ( 0.783 -2.904 -0.058) 3.008 6.778 ( 0.783 2.904 -0.058) 3.008 6.917 ( 4.293 -3.264 -0.772) 5.448 6.917 ( 4.293 3.264 -0.772) 5.448 7.853 ( 15.805 -2.685 0.702) 16.046 7.853 ( 15.805 2.685 0.702) 16.046 7.919 ( 13.633 -2.411 -1.141) 13.892 7.919 ( 13.633 2.411 -1.141) 13.892 8.747 ( 0.262 -3.586 -0.996) 3.730 8.747 ( 0.262 3.586 -0.996) 3.731 8.867 ( -0.892 -1.510 2.068) 2.712 8.867 ( -0.892 1.510 2.068) 2.712 9.004 ( -3.961 -0.633 1.005) 4.135 9.004 ( -3.961 0.633 1.005) 4.135 9.091 ( 0.392 -3.350 -1.833) 3.839 9.091 ( 0.392 3.350 -1.833) 3.839 9.168 ( -5.730 -2.180 1.834) 6.399 9.168 ( -5.730 2.180 1.834) 6.399 9.321 ( -1.944 -0.577 -0.452) 2.077 9.321 ( -1.944 0.577 -0.452) 2.077 9.708 ( 3.277 -2.297 -1.288) 4.204 9.708 ( 3.277 2.297 -1.288) 4.204 9.776 ( 12.099 -1.993 -0.395) 12.268 9.776 ( 12.099 1.993 -0.395) 12.268 9.991 ( 8.092 -6.138 0.043) 10.157 9.991 ( 8.092 6.138 0.043) 10.157 10.229 ( 5.391 -2.375 0.831) 5.949 10.229 ( 5.391 2.375 0.831) 5.949 10.568 ( 1.455 -4.088 0.713) 4.398 10.568 ( 1.455 4.088 0.713) 4.398 10.646 ( 4.088 -3.351 -0.222) 5.291 10.646 ( 4.088 3.351 -0.222) 5.291 11.437 ( -9.025 -0.726 -0.665) 9.078 11.437 ( -9.025 0.726 -0.665) 9.078 11.498 ( -8.320 -2.071 0.893) 8.620 11.498 ( -8.320 2.071 0.893) 8.620 11.946 ( 0.059 -0.881 0.337) 0.945 11.946 ( 0.059 0.881 0.337) 0.945 12.050 ( 2.380 -1.840 -0.027) 3.008 12.050 ( 2.380 1.840 -0.027) 3.008 12.125 ( -1.110 -1.459 -0.090) 1.835 12.125 ( -1.110 1.459 -0.090) 1.835 12.252 ( 2.299 -3.321 -0.455) 4.064 12.252 ( 2.299 3.321 -0.455) 4.064 12.699 ( -1.292 -4.763 0.262) 4.943 12.699 ( -1.292 4.763 0.262) 4.943 12.779 ( -0.462 -3.728 -0.200) 3.762 12.779 ( -0.462 3.728 -0.200) 3.762 13.418 ( -6.605 -6.131 0.373) 9.019 13.418 ( -6.605 6.131 0.373) 9.019 13.481 ( -6.775 -8.240 -0.199) 10.669 13.481 ( -6.775 8.240 -0.199) 10.669 14.061 ( 0.530 -2.203 0.400) 2.301 14.061 ( 0.530 2.203 0.400) 2.301 14.132 ( 3.797 -5.620 -0.655) 6.814 14.132 ( 3.797 5.620 -0.655) 6.814 14.511 ( -1.455 -7.705 0.630) 7.867 14.511 ( -1.455 7.705 0.630) 7.867 14.672 ( 2.883 -1.497 -1.328) 3.509 14.672 ( 2.883 1.497 -1.328) 3.509 15.051 ( -7.063 -8.711 1.055) 11.265 15.051 ( -7.063 8.711 1.055) 11.265 15.214 ( -3.169 -4.371 -0.241) 5.404 15.214 ( -3.169 4.371 -0.241) 5.404 15.324 ( 2.497 -3.212 -0.379) 4.086 15.324 ( 2.497 3.212 -0.379) 4.086 15.429 ( 0.804 -0.205 -0.024) 0.830 15.429 ( 0.804 0.205 -0.024) 0.830 15.727 ( -9.919 -0.749 -1.621) 10.078 15.727 ( -9.919 0.749 -1.621) 10.078 15.947 ( -1.067 -4.145 1.251) 4.459 15.947 ( -1.067 4.145 1.251) 4.459 16.384 ( -1.193 -0.285 -1.169) 1.695 16.384 ( -1.193 0.285 -1.169) 1.695 16.524 ( -0.173 -6.129 3.236) 6.933 16.524 ( -0.173 6.129 3.236) 6.933 17.145 ( -0.271 -0.360 -0.058) 0.455 17.145 ( -0.271 0.360 -0.058) 0.455 17.206 ( -1.387 -1.517 -0.534) 2.124 17.206 ( -1.387 1.517 -0.534) 2.124 19.740 ( -4.363 -3.864 -0.212) 5.832 19.740 ( -4.363 3.864 -0.212) 5.832 19.931 ( -8.146 -2.172 1.552) 8.572 19.931 ( -8.146 2.172 1.552) 8.572 20.408 ( 8.673 -1.253 0.750) 8.795 20.408 ( 8.673 1.253 0.750) 8.795 20.693 ( 6.027 -0.361 -0.406) 6.051 20.693 ( 6.027 0.361 -0.406) 6.051 21.830 ( -11.171 -2.167 -1.858) 11.530 21.830 ( -11.171 2.167 -1.858) 11.530 21.913 ( -8.939 -0.583 1.368) 9.062 21.913 ( -8.939 0.583 1.368) 9.062 22.799 ( 9.190 -0.924 -1.521) 9.361 22.799 ( 9.190 0.924 -1.521) 9.361 22.883 ( 9.388 -0.963 1.781) 9.604 22.883 ( 9.388 0.963 1.781) 9.604 26.935 ( -19.822 -2.945 -0.058) 20.040 26.935 ( -19.822 2.945 -0.058) 20.040 27.259 ( -24.248 -15.783 1.265) 28.959 27.259 ( -24.248 15.783 1.265) 28.959 28.894 ( 23.030 -6.427 1.028) 23.932 28.894 ( 23.030 6.427 1.028) 23.932 28.978 ( 21.391 -4.594 -1.498) 21.930 28.978 ( 21.391 4.594 -1.498) 21.930 30.367 ( -13.673 -6.392 -0.202) 15.095 30.367 ( -13.673 6.392 -0.202) 15.095 30.559 ( -3.786 -2.523 0.265) 4.557 30.559 ( -3.786 2.523 0.265) 4.557 30.824 ( -7.709 -3.064 1.729) 8.474 30.824 ( -7.709 3.064 1.729) 8.474 31.050 ( -3.605 -6.860 -0.258) 7.754 31.050 ( -3.605 6.860 -0.258) 7.754 31.502 ( 8.270 -4.578 -0.814) 9.488 31.502 ( 8.270 4.578 -0.814) 9.488 31.814 ( 8.003 -2.883 -0.288) 8.511 31.814 ( 8.003 2.883 -0.288) 8.511 32.053 ( -3.345 -6.515 1.262) 7.431 32.053 ( -3.345 6.515 1.262) 7.431 32.508 ( -8.322 -2.528 0.007) 8.698 32.508 ( -8.322 2.528 0.007) 8.698 32.750 ( -10.575 -2.445 2.457) 11.128 32.750 ( -10.575 2.445 2.457) 11.128 33.038 ( 9.124 -7.106 5.529) 12.819 33.038 ( 9.124 7.106 5.529) 12.819 33.445 ( 12.438 -10.969 8.074) 18.445 33.445 ( 12.438 10.969 8.074) 18.445 33.734 ( 8.992 -1.170 1.320) 9.163 33.734 ( 8.992 1.170 1.320) 9.163 34.799 ( -0.912 -1.073 1.870) 2.340 34.799 ( -0.912 1.073 1.870) 2.340 34.881 ( -0.393 -0.710 -6.548) 6.598 34.881 ( -0.393 0.710 -6.548) 6.598 35.421 ( -1.571 -0.729 -0.344) 1.766 35.421 ( -1.571 0.729 -0.344) 1.766 35.475 ( -3.891 -2.027 -3.669) 5.719 35.475 ( -3.891 2.027 -3.669) 5.719 35.632 ( -0.905 -2.806 -6.180) 6.848 35.632 ( -0.905 2.806 -6.180) 6.848 35.730 ( 2.776 -2.544 -3.950) 5.457 35.730 ( 2.776 2.544 -3.950) 5.457 36.459 ( -19.772 -9.807 1.432) 22.117 36.459 ( -19.772 9.807 1.432) 22.117 37.918 ( 18.238 -11.550 0.749) 21.601 37.918 ( 18.238 11.550 0.749) 21.601 ======================= Grid point 75 (39/63) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -7.466 -20.968 11.336) 24.978 1.085 ( -7.466 20.968 11.336) 24.978 1.315 ( -8.583 -22.851 6.385) 25.231 1.315 ( -8.583 22.851 6.385) 25.231 1.786 ( -0.727 -8.808 2.082) 9.080 1.786 ( -0.727 8.808 2.082) 9.080 2.097 ( -8.150 -32.889 -1.005) 33.899 2.097 ( -8.150 32.889 -1.005) 33.899 2.280 ( 1.041 -5.784 -1.977) 6.201 2.280 ( 1.041 5.784 -1.977) 6.201 2.465 ( -0.948 -0.818 1.626) 2.052 2.465 ( -0.948 0.818 1.626) 2.052 2.630 ( 1.040 -4.983 -6.587) 8.324 2.630 ( 1.040 4.983 -6.587) 8.324 2.727 ( -8.852 -7.158 -0.683) 11.405 2.727 ( -8.852 7.158 -0.683) 11.405 2.855 ( -0.910 -1.844 2.279) 3.070 2.855 ( -0.910 1.844 2.279) 3.070 3.005 ( 1.807 -2.340 -2.960) 4.183 3.005 ( 1.807 2.340 -2.960) 4.183 3.091 ( -1.763 -2.274 -0.421) 2.908 3.091 ( -1.763 2.274 -0.421) 2.908 3.304 ( -5.905 -5.227 3.706) 8.714 3.304 ( -5.905 5.227 3.706) 8.714 3.376 ( -1.013 -1.868 6.497) 6.836 3.376 ( -1.013 1.868 6.497) 6.836 3.423 ( 2.615 -2.408 2.324) 4.247 3.423 ( 2.615 2.408 2.324) 4.247 3.631 ( -3.233 -6.214 2.331) 7.382 3.631 ( -3.233 6.214 2.331) 7.382 3.831 ( -1.080 -2.398 1.997) 3.303 3.831 ( -1.080 2.398 1.997) 3.303 4.014 ( 1.737 -3.838 1.293) 4.407 4.014 ( 1.737 3.838 1.293) 4.407 4.110 ( -6.300 -1.913 -5.837) 8.799 4.110 ( -6.300 1.913 -5.837) 8.799 4.169 ( -1.410 -2.765 0.823) 3.211 4.169 ( -1.410 2.765 0.823) 3.211 4.277 ( -3.185 -5.323 -4.429) 7.622 4.277 ( -3.185 5.323 -4.429) 7.622 4.540 ( 5.402 -4.754 2.620) 7.658 4.540 ( 5.402 4.754 2.620) 7.658 4.667 ( 4.906 -4.233 -5.810) 8.703 4.667 ( 4.906 4.233 -5.810) 8.703 4.859 ( 2.713 -1.522 -0.259) 3.122 4.859 ( 2.713 1.522 -0.259) 3.122 4.907 ( -0.646 -1.951 1.466) 2.525 4.907 ( -0.646 1.951 1.466) 2.525 5.048 ( -0.944 -1.949 -4.084) 4.623 5.048 ( -0.944 1.949 -4.084) 4.623 5.117 ( -1.652 -2.389 3.952) 4.904 5.117 ( -1.652 2.389 3.952) 4.904 5.316 ( 0.231 -6.003 -2.111) 6.367 5.316 ( 0.231 6.003 -2.111) 6.367 5.392 ( -0.472 -7.579 1.073) 7.669 5.392 ( -0.472 7.579 1.073) 7.669 5.499 ( 5.197 -4.670 -1.583) 7.164 5.499 ( 5.197 4.670 -1.583) 7.164 5.590 ( 1.260 -5.069 -2.436) 5.764 5.590 ( 1.260 5.069 -2.436) 5.764 5.813 ( -1.267 -0.760 -3.065) 3.403 5.813 ( -1.267 0.760 -3.065) 3.403 5.882 ( -3.827 -2.313 5.545) 7.123 5.882 ( -3.827 2.313 5.545) 7.123 6.067 ( 0.151 -1.495 2.823) 3.198 6.067 ( 0.151 1.495 2.823) 3.198 6.274 ( 4.943 -4.691 -1.841) 7.059 6.274 ( 4.943 4.691 -1.841) 7.059 6.522 ( -0.547 -2.574 1.441) 3.000 6.522 ( -0.547 2.574 1.441) 3.000 6.566 ( -2.798 -2.415 -0.979) 3.824 6.566 ( -2.798 2.415 -0.979) 3.824 6.822 ( 4.719 -1.512 -0.175) 4.959 6.822 ( 4.719 1.512 -0.175) 4.959 6.969 ( 2.324 -3.712 -1.090) 4.513 6.969 ( 2.324 3.712 -1.090) 4.513 8.119 ( 13.734 -5.777 -0.404) 14.906 8.119 ( 13.734 5.777 -0.404) 14.906 8.155 ( 13.875 -2.117 0.318) 14.040 8.155 ( 13.875 2.117 0.318) 14.040 8.716 ( -2.217 -5.588 -1.217) 6.133 8.716 ( -2.217 5.588 -1.217) 6.133 8.821 ( -7.634 -0.756 1.702) 7.858 8.821 ( -7.634 0.756 1.702) 7.858 8.968 ( -0.807 -2.908 0.296) 3.032 8.968 ( -0.807 2.908 0.296) 3.032 9.078 ( -0.612 -0.858 -1.741) 2.035 9.078 ( -0.612 0.858 -1.741) 2.035 9.095 ( -3.897 -2.480 2.157) 5.098 9.095 ( -3.897 2.480 2.157) 5.098 9.296 ( 0.368 -3.212 -1.411) 3.528 9.296 ( 0.368 3.212 -1.411) 3.528 9.727 ( 0.932 -3.652 0.318) 3.783 9.727 ( 0.932 3.652 0.318) 3.783 9.976 ( 9.744 -2.266 0.199) 10.006 9.976 ( 9.744 2.266 0.199) 10.006 10.170 ( 9.751 -5.968 0.745) 11.457 10.170 ( 9.751 5.968 0.745) 11.457 10.309 ( 3.974 -2.505 -1.629) 4.972 10.309 ( 3.974 2.505 -1.629) 4.972 10.592 ( 0.881 -3.486 0.407) 3.618 10.592 ( 0.881 3.486 0.407) 3.618 10.732 ( 4.220 -3.308 0.068) 5.362 10.732 ( 4.220 3.308 0.068) 5.362 11.277 ( -7.344 -3.513 -0.546) 8.159 11.277 ( -7.344 3.513 -0.546) 8.159 11.358 ( -7.904 -5.401 0.252) 9.577 11.358 ( -7.904 5.401 0.252) 9.577 11.944 ( -1.511 -1.759 1.421) 2.720 11.944 ( -1.511 1.759 1.421) 2.720 12.088 ( -1.174 -2.071 0.518) 2.436 12.088 ( -1.174 2.071 0.518) 2.436 12.125 ( 4.515 -1.325 -0.074) 4.706 12.125 ( 4.515 1.325 -0.074) 4.706 12.294 ( 3.073 -3.911 -1.425) 5.174 12.294 ( 3.073 3.911 -1.425) 5.174 12.682 ( -1.282 -5.034 0.634) 5.233 12.682 ( -1.282 5.034 0.634) 5.233 12.756 ( -1.479 -3.581 -0.335) 3.888 12.756 ( -1.479 3.581 -0.335) 3.888 13.302 ( -6.545 -2.828 0.113) 7.131 13.302 ( -6.545 2.828 0.113) 7.131 13.335 ( -8.544 -4.388 -0.145) 9.606 13.335 ( -8.544 4.388 -0.145) 9.606 14.140 ( 6.668 -1.336 0.798) 6.848 14.140 ( 6.668 1.336 0.798) 6.848 14.245 ( 9.271 -4.825 -1.421) 10.548 14.245 ( 9.271 4.825 -1.421) 10.548 14.467 ( -3.565 -11.452 1.203) 12.054 14.467 ( -3.565 11.452 1.203) 12.054 14.650 ( -3.955 -1.575 -0.490) 4.285 14.650 ( -3.955 1.575 -0.490) 4.285 14.880 ( -11.813 -7.137 0.753) 13.822 14.880 ( -11.813 7.137 0.753) 13.822 15.059 ( -9.367 -1.792 -1.664) 9.681 15.059 ( -9.367 1.792 -1.664) 9.681 15.338 ( -3.546 -8.525 1.480) 9.351 15.338 ( -3.546 8.525 1.480) 9.351 15.559 ( 9.246 -2.683 -1.817) 9.798 15.559 ( 9.246 2.683 -1.817) 9.798 15.618 ( 1.653 -0.425 -0.644) 1.824 15.618 ( 1.653 0.425 -0.644) 1.824 15.956 ( 3.563 -5.507 -3.031) 7.226 15.956 ( 3.563 5.507 -3.031) 7.226 16.331 ( -2.809 -0.706 -0.767) 2.997 16.331 ( -2.809 0.706 -0.767) 2.997 16.472 ( -9.646 -6.674 0.616) 11.746 16.472 ( -9.646 6.674 0.616) 11.746 17.142 ( 0.180 -0.272 -0.109) 0.343 17.142 ( 0.180 0.272 -0.109) 0.343 17.184 ( -0.539 -1.160 -0.007) 1.279 17.184 ( -0.539 1.160 -0.007) 1.279 19.679 ( -1.540 -4.703 -1.790) 5.262 19.679 ( -1.540 4.703 -1.790) 5.262 19.824 ( -5.194 -2.005 0.566) 5.596 19.824 ( -5.194 2.005 0.566) 5.596 20.538 ( 5.095 -0.372 0.773) 5.167 20.538 ( 5.095 0.372 0.773) 5.167 20.771 ( 3.376 -0.551 -0.435) 3.449 20.771 ( 3.376 0.551 -0.435) 3.449 21.653 ( -6.347 -1.069 -0.949) 6.506 21.653 ( -6.347 1.069 -0.949) 6.506 21.792 ( -6.437 -0.235 0.998) 6.518 21.792 ( -6.437 0.235 0.998) 6.518 22.903 ( 5.646 -0.948 -2.672) 6.317 22.903 ( 5.646 0.948 -2.672) 6.317 23.080 ( 8.859 -0.432 2.806) 9.302 23.080 ( 8.859 0.432 2.806) 9.302 26.662 ( -11.602 -1.163 0.266) 11.664 26.662 ( -11.602 1.163 0.266) 11.664 26.819 ( -23.312 -8.569 -1.528) 24.884 26.819 ( -23.312 8.569 -1.528) 24.884 29.271 ( 15.538 -3.118 0.851) 15.871 29.271 ( 15.538 3.118 0.851) 15.871 29.305 ( 20.382 -6.524 -0.505) 21.406 29.305 ( 20.382 6.524 -0.505) 21.406 30.096 ( -18.050 -9.244 1.624) 20.344 30.096 ( -18.050 9.244 1.624) 20.344 30.531 ( -0.702 -1.803 0.857) 2.116 30.531 ( -0.702 1.803 0.857) 2.116 30.725 ( -5.133 -3.353 0.225) 6.135 30.725 ( -5.133 3.353 0.225) 6.135 30.968 ( -2.753 -8.798 -3.048) 9.710 30.968 ( -2.753 8.798 -3.048) 9.710 31.597 ( 2.574 -4.431 0.358) 5.137 31.597 ( 2.574 4.431 0.358) 5.137 31.946 ( 9.480 -1.222 -1.000) 9.611 31.946 ( 9.480 1.222 -1.000) 9.611 32.084 ( 5.393 -4.024 0.184) 6.731 32.084 ( 5.393 4.024 0.184) 6.731 32.339 ( -8.600 -2.044 -1.606) 8.985 32.339 ( -8.600 2.044 -1.606) 8.985 32.522 ( -14.602 -0.199 -0.178) 14.605 32.522 ( -14.602 0.199 -0.178) 14.605 33.184 ( 6.556 -5.017 -7.702) 11.290 33.184 ( 6.556 5.017 -7.702) 11.290 33.762 ( 17.613 -10.948 -24.955) 32.448 33.762 ( 17.613 10.948 -24.955) 32.448 33.868 ( 8.902 -2.674 -7.698) 12.069 33.868 ( 8.902 2.674 -7.698) 12.069 34.745 ( -0.561 -0.387 -2.025) 2.137 34.745 ( -0.561 0.387 -2.025) 2.137 34.832 ( -0.745 -1.098 2.218) 2.585 34.832 ( -0.745 1.098 2.218) 2.585 35.359 ( -2.912 -0.789 -2.508) 3.924 35.359 ( -2.912 0.789 -2.508) 3.924 35.421 ( -1.978 -3.068 0.073) 3.651 35.421 ( -1.978 3.068 0.073) 3.651 35.450 ( -3.232 -0.786 -1.360) 3.593 35.450 ( -3.232 0.786 -1.360) 3.593 35.875 ( 3.172 -3.360 11.847) 12.717 35.875 ( 3.172 3.360 11.847) 12.717 36.292 ( -15.315 -13.576 27.798) 34.519 36.292 ( -15.315 13.576 27.798) 34.519 38.175 ( 11.835 -11.557 -2.614) 16.746 38.175 ( 11.835 11.557 -2.614) 16.746 ======================= Grid point 85 (40/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -0.661 0.000 20.775) 20.785 1.055 ( -2.104 0.000 24.910) 24.999 1.196 ( 2.760 0.000 -13.858) 14.131 1.579 ( 2.756 0.000 -21.185) 21.364 1.864 ( 4.827 0.000 36.093) 36.414 2.052 ( -4.263 0.000 2.917) 5.165 2.138 ( 2.443 0.000 -5.179) 5.726 2.350 ( -6.444 0.000 -0.456) 6.460 2.361 ( -9.541 0.000 18.760) 21.046 2.442 ( 5.712 0.000 -1.388) 5.878 2.466 ( -1.943 0.000 -13.619) 13.757 2.570 ( -7.609 0.000 0.823) 7.653 2.617 ( -5.086 0.000 20.193) 20.824 2.706 ( 11.001 0.000 2.574) 11.298 2.730 ( 1.625 0.000 3.522) 3.879 2.767 ( 3.959 0.000 -0.467) 3.987 2.773 ( 1.766 0.000 0.216) 1.779 2.817 ( 1.874 0.000 1.373) 2.323 2.876 ( -10.120 0.000 8.006) 12.904 2.905 ( 3.775 0.000 -13.683) 14.194 2.979 ( -2.286 0.000 -6.265) 6.669 3.091 ( 2.621 0.000 -12.701) 12.969 3.150 ( 2.720 0.000 -0.337) 2.741 3.229 ( -3.855 0.000 -7.942) 8.828 3.341 ( -0.204 0.000 5.255) 5.259 3.401 ( 14.030 0.000 -0.122) 14.031 3.411 ( -2.866 0.000 0.965) 3.024 3.454 ( -5.591 0.000 -4.881) 7.421 3.578 ( 1.996 0.000 0.612) 2.088 3.613 ( -3.854 0.000 -0.816) 3.939 3.767 ( 2.074 0.000 3.176) 3.793 3.773 ( 1.461 0.000 0.708) 1.624 3.945 ( -9.864 0.000 5.060) 11.086 3.994 ( 0.831 0.000 -0.812) 1.162 4.119 ( 6.379 0.000 1.251) 6.501 4.161 ( -1.483 0.000 -2.768) 3.140 4.192 ( 0.919 0.000 0.824) 1.234 4.240 ( -3.869 0.000 -0.862) 3.964 4.257 ( 2.092 0.000 -2.969) 3.632 4.278 ( 0.840 0.000 -6.314) 6.370 4.444 ( 0.271 0.000 3.533) 3.543 4.508 ( -0.521 0.000 -6.112) 6.134 4.526 ( -1.903 0.000 -7.215) 7.462 4.606 ( 4.073 0.000 -10.611) 11.366 4.694 ( -0.809 0.000 7.105) 7.150 4.813 ( 4.408 0.000 1.987) 4.835 4.830 ( -1.293 0.000 -2.485) 2.801 4.866 ( -3.069 0.000 1.085) 3.255 4.984 ( -1.105 0.000 1.384) 1.771 5.013 ( 5.892 0.000 0.134) 5.894 5.053 ( -8.162 0.000 -2.626) 8.574 5.087 ( 2.577 0.000 -3.923) 4.694 5.154 ( -0.545 0.000 -0.000) 0.545 5.187 ( 1.975 0.000 -1.706) 2.610 5.339 ( 1.539 0.000 6.294) 6.479 5.438 ( -2.869 0.000 -3.530) 4.549 5.509 ( -2.452 0.000 1.247) 2.751 5.510 ( 3.595 0.000 1.518) 3.902 5.667 ( -1.915 0.000 -0.832) 2.088 5.695 ( 2.082 0.000 -3.463) 4.041 5.853 ( 3.435 0.000 6.268) 7.148 5.953 ( 1.041 0.000 -0.471) 1.143 5.982 ( 0.447 0.000 6.028) 6.044 6.012 ( -3.831 0.000 -3.614) 5.266 6.060 ( -4.844 0.000 0.890) 4.925 6.158 ( 0.328 0.000 -4.782) 4.793 6.319 ( -1.880 0.000 3.727) 4.175 6.358 ( 2.741 0.000 0.054) 2.741 6.527 ( 1.752 0.000 0.265) 1.772 6.528 ( 0.802 0.000 -0.198) 0.826 6.657 ( -0.159 0.000 1.101) 1.113 6.661 ( 3.421 0.000 0.385) 3.442 6.781 ( -2.293 0.000 2.178) 3.163 6.822 ( 1.876 0.000 -1.378) 2.328 7.240 ( -4.352 0.000 9.874) 10.790 7.451 ( 4.913 0.000 -10.410) 11.511 8.159 ( -1.576 0.000 2.994) 3.384 8.222 ( 1.639 0.000 -3.150) 3.550 8.465 ( 4.146 0.000 0.545) 4.182 8.470 ( -6.285 0.000 0.161) 6.287 8.569 ( 6.784 0.000 1.971) 7.064 8.619 ( -6.567 0.000 -2.824) 7.149 8.784 ( -3.210 0.000 1.723) 3.643 8.812 ( 2.437 0.000 -1.182) 2.708 8.906 ( -2.712 0.000 0.121) 2.715 8.914 ( 1.667 0.000 -0.919) 1.904 9.012 ( -2.949 0.000 0.098) 2.950 9.024 ( 2.906 0.000 -0.914) 3.047 9.109 ( -0.800 0.000 0.082) 0.804 9.131 ( 0.913 0.000 -1.941) 2.145 9.262 ( -0.487 0.000 3.616) 3.649 9.336 ( 0.707 0.000 -3.486) 3.557 9.779 ( -3.294 0.000 6.098) 6.931 9.875 ( 3.850 0.000 -2.431) 4.553 10.000 ( 1.899 0.000 0.953) 2.125 10.051 ( -3.048 0.000 -3.257) 4.461 10.118 ( -1.098 0.000 -0.977) 1.469 10.139 ( 2.615 0.000 -1.396) 2.965 10.402 ( -0.096 0.000 0.093) 0.134 10.411 ( -0.935 0.000 -0.772) 1.212 10.542 ( -0.110 0.000 1.465) 1.469 10.574 ( -0.378 0.000 -1.902) 1.939 10.772 ( 1.261 0.000 1.845) 2.235 10.807 ( -1.337 0.000 -1.632) 2.110 11.095 ( -1.479 0.000 0.166) 1.488 11.098 ( 2.343 0.000 -0.135) 2.347 11.402 ( 0.406 0.000 0.824) 0.919 11.419 ( -0.609 0.000 -0.818) 1.019 11.924 ( -3.287 0.000 1.944) 3.819 11.962 ( 3.877 0.000 -1.704) 4.235 12.073 ( -3.733 0.000 1.524) 4.032 12.087 ( 0.794 0.000 0.214) 0.822 12.117 ( -0.017 0.000 -0.570) 0.571 12.128 ( 0.529 0.000 -1.259) 1.365 12.199 ( 0.540 0.000 2.316) 2.378 12.250 ( 1.499 0.000 -2.312) 2.756 12.501 ( -0.022 0.000 0.534) 0.534 12.518 ( -0.616 0.000 -0.975) 1.153 12.824 ( 0.832 0.000 1.228) 1.483 12.845 ( -0.702 0.000 -0.806) 1.068 13.215 ( -1.162 0.000 1.234) 1.694 13.242 ( 1.559 0.000 -1.418) 2.107 13.280 ( 0.234 0.000 0.790) 0.824 13.294 ( -1.219 0.000 -0.509) 1.321 14.019 ( 0.676 0.000 0.681) 0.960 14.032 ( -0.501 0.000 -0.607) 0.787 14.227 ( -1.405 0.000 0.341) 1.446 14.237 ( 1.556 0.000 -0.671) 1.695 14.365 ( -1.742 0.000 1.586) 2.356 14.398 ( 1.291 0.000 -1.627) 2.077 14.581 ( -1.227 0.000 1.915) 2.274 14.614 ( 6.377 0.000 -1.339) 6.516 14.720 ( -1.300 0.000 0.561) 1.416 14.728 ( 0.404 0.000 -0.311) 0.510 14.929 ( 0.609 0.000 0.607) 0.860 14.955 ( -1.412 0.000 -2.027) 2.471 15.041 ( 4.194 0.000 2.304) 4.785 15.081 ( -3.571 0.000 -1.495) 3.871 15.585 ( 1.298 0.000 1.136) 1.725 15.607 ( -2.601 0.000 -1.159) 2.848 15.684 ( -1.712 0.000 0.379) 1.754 15.685 ( 2.252 0.000 0.252) 2.266 15.877 ( -0.335 0.000 6.008) 6.017 15.999 ( 1.401 0.000 -5.762) 5.930 16.281 ( 2.532 0.000 0.607) 2.604 16.292 ( -3.826 0.000 -0.716) 3.892 16.331 ( 0.922 0.000 2.474) 2.640 16.377 ( -1.238 0.000 -1.776) 2.165 17.123 ( -0.430 0.000 0.219) 0.483 17.129 ( 0.643 0.000 -0.361) 0.737 17.194 ( -0.924 0.000 1.513) 1.773 17.214 ( 0.994 0.000 -0.473) 1.101 19.601 ( -1.554 0.000 0.426) 1.612 19.624 ( 1.128 0.000 -1.982) 2.280 19.872 ( 0.572 0.000 0.822) 1.002 19.877 ( -0.708 0.000 0.347) 0.789 20.590 ( -2.628 0.000 1.157) 2.871 20.606 ( 2.478 0.000 -0.323) 2.499 20.784 ( -2.031 0.000 0.307) 2.054 20.799 ( 2.297 0.000 -1.051) 2.526 21.588 ( 0.663 0.000 2.149) 2.249 21.631 ( 0.615 0.000 -2.104) 2.192 21.761 ( -0.632 0.000 0.137) 0.647 21.762 ( -0.040 0.000 0.176) 0.181 22.929 ( 2.880 0.000 -1.418) 3.210 22.929 ( -3.640 0.000 -1.345) 3.881 23.214 ( 0.594 0.000 0.762) 0.966 23.215 ( -1.464 0.000 0.786) 1.662 26.534 ( 0.767 0.000 -0.227) 0.800 26.535 ( -0.656 0.000 -0.334) 0.736 26.598 ( 0.823 0.000 0.428) 0.928 26.601 ( -0.381 0.000 0.140) 0.406 29.416 ( 0.489 0.000 1.878) 1.941 29.451 ( -5.640 0.000 -1.034) 5.734 29.510 ( 15.218 0.000 3.842) 15.696 29.586 ( -9.319 0.000 2.243) 9.585 29.607 ( -6.568 0.000 -5.002) 8.256 29.638 ( 6.133 0.000 -3.054) 6.851 30.439 ( 0.468 0.000 10.075) 10.086 30.549 ( -0.964 0.000 -1.222) 1.556 30.574 ( -0.353 0.000 0.761) 0.839 30.583 ( 0.569 0.000 -0.958) 1.115 30.790 ( -2.250 0.000 4.718) 5.227 30.912 ( 1.006 0.000 -5.565) 5.655 31.485 ( 1.904 0.000 0.004) 1.904 31.486 ( -2.120 0.000 -0.054) 2.121 31.927 ( -0.384 0.000 12.801) 12.807 32.079 ( 6.344 0.000 1.126) 6.443 32.087 ( -6.611 0.000 -1.204) 6.720 32.144 ( 12.179 0.000 -3.723) 12.736 32.181 ( -3.544 0.000 4.283) 5.560 32.252 ( 1.843 0.000 0.860) 2.034 32.282 ( -9.193 0.000 -1.888) 9.385 32.312 ( -3.666 0.000 -1.410) 3.928 32.372 ( 6.966 0.000 0.174) 6.968 32.589 ( -2.988 0.000 -32.236) 32.374 33.437 ( 0.284 0.000 1.885) 1.906 33.446 ( -0.694 0.000 -0.451) 0.828 33.717 ( 0.160 0.000 -0.951) 0.965 33.776 ( -0.094 0.000 -5.466) 5.467 34.831 ( -3.924 0.000 1.891) 4.356 34.857 ( 4.657 0.000 -0.639) 4.701 34.915 ( 4.569 0.000 2.832) 5.376 34.935 ( -3.326 0.000 1.127) 3.512 35.269 ( -1.847 0.000 0.389) 1.888 35.292 ( 2.467 0.000 -1.662) 2.974 35.415 ( 0.923 0.000 0.547) 1.073 35.427 ( -0.015 0.000 -0.773) 0.773 35.618 ( -0.313 0.000 8.930) 8.936 35.723 ( -0.089 0.000 8.119) 8.120 35.792 ( 0.894 0.000 -8.059) 8.108 35.882 ( -0.167 0.000 -7.185) 7.187 36.902 ( -0.947 0.000 30.797) 30.812 37.412 ( 0.313 0.000 -20.557) 20.559 38.406 ( -2.661 0.000 3.296) 4.236 38.475 ( 1.425 0.000 -3.423) 3.707 ======================= Grid point 86 (41/63) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 27.525 0.000 -17.312) 32.516 1.304 ( 26.064 0.000 15.469) 30.309 1.397 ( 12.166 0.000 -24.403) 27.268 1.440 ( 5.312 0.000 21.349) 22.000 1.937 ( -11.465 0.000 8.436) 14.234 1.963 ( -5.426 0.000 -15.743) 16.652 2.095 ( -1.486 0.000 -11.362) 11.459 2.367 ( 3.754 0.000 12.900) 13.435 2.381 ( -0.794 0.000 0.174) 0.813 2.393 ( 1.198 0.000 14.879) 14.928 2.539 ( -2.253 0.000 2.633) 3.465 2.569 ( -6.585 0.000 -7.644) 10.090 2.692 ( 1.955 0.000 3.266) 3.806 2.705 ( 7.040 0.000 2.212) 7.379 2.735 ( -3.592 0.000 3.943) 5.334 2.818 ( 2.149 0.000 -7.482) 7.785 2.829 ( 0.765 0.000 -10.936) 10.963 2.853 ( 3.025 0.000 1.519) 3.385 2.909 ( 0.330 0.000 -17.286) 17.289 2.941 ( 4.098 0.000 5.795) 7.098 3.008 ( 7.393 0.000 17.952) 19.415 3.054 ( -5.987 0.000 -6.902) 9.137 3.164 ( 7.385 0.000 -0.076) 7.386 3.243 ( 3.287 0.000 4.095) 5.251 3.246 ( 5.974 0.000 -0.598) 6.003 3.374 ( 0.413 0.000 -2.452) 2.486 3.430 ( 2.571 0.000 4.062) 4.808 3.535 ( -0.146 0.000 3.977) 3.980 3.618 ( 8.650 0.000 -6.525) 10.835 3.641 ( 1.750 0.000 2.225) 2.831 3.714 ( -6.329 0.000 -2.706) 6.883 3.809 ( 2.264 0.000 -1.634) 2.793 3.881 ( -3.808 0.000 9.694) 10.415 4.017 ( -3.320 0.000 0.147) 3.323 4.086 ( -0.615 0.000 -7.983) 8.007 4.218 ( 3.224 0.000 1.275) 3.467 4.223 ( 1.832 0.000 -2.055) 2.753 4.227 ( -0.210 0.000 2.925) 2.932 4.268 ( 6.823 0.000 3.289) 7.575 4.361 ( 7.474 0.000 -3.243) 8.147 4.431 ( -3.899 0.000 -4.208) 5.737 4.476 ( -1.675 0.000 1.371) 2.165 4.497 ( 1.728 0.000 6.332) 6.564 4.598 ( 6.324 0.000 -0.494) 6.344 4.683 ( -7.850 0.000 1.914) 8.080 4.733 ( 0.548 0.000 -6.535) 6.558 4.828 ( 0.060 0.000 4.026) 4.026 4.900 ( -0.866 0.000 -2.201) 2.365 4.934 ( -3.204 0.000 5.211) 6.118 4.947 ( -1.689 0.000 0.635) 1.804 5.062 ( -2.887 0.000 -2.314) 3.700 5.136 ( -1.530 0.000 -0.554) 1.627 5.198 ( 7.530 0.000 0.795) 7.572 5.263 ( 10.365 0.000 -0.766) 10.393 5.322 ( -4.463 0.000 -4.319) 6.211 5.417 ( -2.090 0.000 5.537) 5.918 5.465 ( -2.206 0.000 -1.431) 2.629 5.552 ( 0.491 0.000 -1.862) 1.926 5.618 ( -4.310 0.000 2.453) 4.959 5.706 ( 1.825 0.000 -1.777) 2.548 5.847 ( -1.901 0.000 -5.534) 5.851 5.915 ( -2.097 0.000 1.192) 2.412 5.992 ( -0.116 0.000 -0.594) 0.605 6.036 ( 1.689 0.000 3.024) 3.463 6.100 ( 0.912 0.000 8.508) 8.556 6.124 ( -0.367 0.000 -1.772) 1.809 6.276 ( -4.347 0.000 -2.026) 4.796 6.322 ( -4.938 0.000 -1.067) 5.052 6.549 ( -0.206 0.000 -2.914) 2.921 6.556 ( 1.023 0.000 -0.025) 1.024 6.599 ( -2.201 0.000 -1.940) 2.934 6.677 ( 1.194 0.000 -2.693) 2.945 6.742 ( -4.860 0.000 1.455) 5.073 6.799 ( -1.840 0.000 -1.060) 2.124 7.157 ( -16.730 0.000 3.842) 17.166 7.277 ( -7.465 0.000 -4.898) 8.929 8.005 ( -17.181 0.000 -2.663) 17.386 8.007 ( -15.397 0.000 2.731) 15.638 8.253 ( -16.793 0.000 1.058) 16.826 8.399 ( -10.021 0.000 0.379) 10.029 8.566 ( 2.347 0.000 -2.715) 3.589 8.768 ( 8.955 0.000 3.561) 9.638 8.801 ( 0.327 0.000 0.242) 0.407 8.872 ( -2.343 0.000 1.794) 2.951 8.941 ( 10.502 0.000 -0.134) 10.502 8.949 ( 1.929 0.000 0.507) 1.994 9.023 ( 3.723 0.000 0.345) 3.739 9.072 ( 2.021 0.000 -1.165) 2.333 9.125 ( 1.812 0.000 0.904) 2.025 9.157 ( 3.884 0.000 -0.695) 3.945 9.291 ( -1.043 0.000 3.248) 3.411 9.306 ( 1.134 0.000 -3.189) 3.385 9.777 ( -3.478 0.000 3.138) 4.684 9.858 ( -0.872 0.000 -5.241) 5.313 9.936 ( -6.596 0.000 -1.132) 6.693 10.020 ( -8.669 0.000 -0.770) 8.703 10.031 ( -2.182 0.000 4.120) 4.663 10.070 ( -7.675 0.000 -1.521) 7.824 10.328 ( -8.633 0.000 -0.094) 8.633 10.348 ( -4.470 0.000 1.597) 4.746 10.523 ( -3.635 0.000 -0.494) 3.669 10.555 ( -0.627 0.000 1.154) 1.314 10.744 ( -2.610 0.000 -1.482) 3.002 10.784 ( -2.178 0.000 1.563) 2.681 11.208 ( 12.226 0.000 0.230) 12.228 11.251 ( 13.288 0.000 -0.783) 13.311 11.427 ( 2.673 0.000 -0.537) 2.726 11.446 ( 3.448 0.000 0.956) 3.578 11.912 ( 0.122 0.000 1.441) 1.446 11.974 ( 0.052 0.000 -1.539) 1.540 12.062 ( -3.763 0.000 1.383) 4.010 12.071 ( -1.133 0.000 0.235) 1.157 12.123 ( 2.630 0.000 2.152) 3.398 12.137 ( -0.542 0.000 0.799) 0.966 12.196 ( -1.952 0.000 -3.922) 4.381 12.228 ( 2.165 0.000 -0.915) 2.351 12.547 ( 4.508 0.000 -0.435) 4.528 12.554 ( 3.890 0.000 1.377) 4.127 12.825 ( -0.019 0.000 -1.049) 1.049 12.850 ( 0.637 0.000 0.644) 0.905 13.226 ( 0.629 0.000 1.051) 1.225 13.253 ( 1.763 0.000 -1.241) 2.156 13.477 ( 17.512 0.000 -2.261) 17.657 13.498 ( 20.613 0.000 5.053) 21.223 13.925 ( -9.748 0.000 -0.167) 9.749 13.932 ( -10.465 0.000 -0.158) 10.466 14.212 ( 0.065 0.000 0.708) 0.711 14.232 ( -0.208 0.000 -0.871) 0.895 14.290 ( -5.875 0.000 1.616) 6.093 14.324 ( -5.133 0.000 -1.487) 5.344 14.657 ( 4.681 0.000 -1.111) 4.811 14.705 ( -0.197 0.000 0.143) 0.243 14.762 ( 5.058 0.000 -0.822) 5.124 14.810 ( 15.847 0.000 -3.404) 16.209 15.068 ( 13.302 0.000 0.882) 13.331 15.087 ( 12.941 0.000 1.487) 13.026 15.116 ( 9.769 0.000 -1.466) 9.878 15.226 ( 11.799 0.000 0.094) 11.800 15.551 ( -2.754 0.000 -0.628) 2.824 15.571 ( -8.373 0.000 0.559) 8.392 15.647 ( -3.328 0.000 -0.515) 3.368 15.648 ( 3.912 0.000 1.622) 4.235 15.910 ( -3.019 0.000 -6.608) 7.265 15.923 ( -2.524 0.000 4.945) 5.552 16.308 ( 4.246 0.000 -0.913) 4.344 16.364 ( 2.965 0.000 -1.925) 3.535 16.384 ( 2.111 0.000 2.473) 3.252 16.410 ( 7.367 0.000 2.599) 7.812 17.117 ( -0.341 0.000 0.134) 0.367 17.135 ( 0.688 0.000 -0.378) 0.785 17.193 ( -0.609 0.000 0.853) 1.048 17.219 ( 0.788 0.000 -1.253) 1.481 19.620 ( 2.354 0.000 2.069) 3.134 19.648 ( 3.095 0.000 -1.434) 3.412 19.865 ( 0.508 0.000 -0.063) 0.512 19.882 ( 0.415 0.000 0.370) 0.556 20.513 ( -7.204 0.000 1.009) 7.275 20.591 ( -3.777 0.000 -0.746) 3.850 20.719 ( -5.464 0.000 0.527) 5.490 20.791 ( -2.044 0.000 -0.724) 2.168 21.661 ( 6.333 0.000 -2.621) 6.854 21.665 ( 5.493 0.000 0.082) 5.493 21.806 ( 5.518 0.000 0.830) 5.580 21.812 ( 5.488 0.000 0.563) 5.516 22.833 ( -6.939 0.000 0.326) 6.947 22.935 ( -1.901 0.000 0.991) 2.144 23.129 ( -8.957 0.000 0.519) 8.972 23.169 ( -6.277 0.000 0.211) 6.280 26.641 ( 11.856 0.000 -0.157) 11.857 26.644 ( 11.359 0.000 0.725) 11.382 26.787 ( 20.677 0.000 -5.260) 21.336 26.819 ( 23.052 0.000 5.882) 23.791 29.092 ( -23.823 0.000 -0.036) 23.823 29.107 ( -23.007 0.000 -0.465) 23.011 29.442 ( -12.928 0.000 -3.516) 13.398 29.450 ( -14.120 0.000 2.439) 14.330 29.900 ( 19.496 0.000 -1.080) 19.526 29.912 ( 21.156 0.000 2.403) 21.292 30.528 ( 4.012 0.000 -4.613) 6.114 30.570 ( 3.391 0.000 4.011) 5.252 30.608 ( 2.648 0.000 -0.765) 2.756 30.614 ( 4.750 0.000 0.281) 4.758 30.890 ( 4.595 0.000 7.486) 8.783 30.923 ( 7.218 0.000 -5.146) 8.865 31.454 ( -2.564 0.000 -0.223) 2.573 31.535 ( 2.217 0.000 0.854) 2.376 31.899 ( -10.499 0.000 2.648) 10.828 31.906 ( -9.903 0.000 -1.312) 9.990 31.995 ( -11.450 0.000 1.787) 11.589 32.024 ( -5.843 0.000 -13.920) 15.097 32.165 ( -1.454 0.000 -5.249) 5.447 32.249 ( 4.134 0.000 8.387) 9.351 32.450 ( 12.774 0.000 9.080) 15.673 32.453 ( 13.546 0.000 -0.275) 13.549 32.540 ( 14.478 0.000 -2.442) 14.683 32.597 ( 13.514 0.000 4.724) 14.315 33.418 ( -2.710 0.000 -0.352) 2.732 33.434 ( -1.933 0.000 0.443) 1.983 33.690 ( -3.723 0.000 -2.295) 4.374 33.709 ( -3.433 0.000 3.758) 5.090 34.772 ( -4.303 0.000 0.310) 4.314 34.862 ( -3.801 0.000 -2.396) 4.493 34.912 ( 3.430 0.000 -1.760) 3.855 34.999 ( 3.170 0.000 -0.189) 3.176 35.257 ( -0.181 0.000 0.765) 0.786 35.331 ( 3.968 0.000 -1.441) 4.222 35.442 ( 3.166 0.000 -1.508) 3.507 35.458 ( 3.478 0.000 -0.007) 3.478 35.721 ( 3.496 0.000 -9.333) 9.967 35.744 ( 2.256 0.000 8.440) 8.736 35.783 ( -0.091 0.000 -8.225) 8.225 35.823 ( -0.165 0.000 7.958) 7.960 37.097 ( -3.200 0.000 -24.970) 25.174 37.192 ( -5.046 0.000 23.762) 24.291 38.260 ( -18.663 0.000 8.079) 20.336 38.292 ( -16.522 0.000 -7.284) 18.056 ======================= Grid point 87 (42/63) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 7.748 0.000 -15.878) 17.668 1.407 ( 18.143 0.000 -17.021) 24.877 1.810 ( 7.223 0.000 5.857) 9.300 1.924 ( 10.551 0.000 15.141) 18.455 1.927 ( 15.288 0.000 -8.124) 17.312 1.968 ( 17.786 0.000 0.060) 17.786 2.005 ( 9.172 0.000 -5.207) 10.548 2.246 ( -3.605 0.000 -6.427) 7.369 2.374 ( -1.578 0.000 -5.464) 5.688 2.390 ( -12.003 0.000 -5.076) 13.032 2.442 ( -0.053 0.000 -4.960) 4.960 2.583 ( 0.577 0.000 -13.789) 13.801 2.645 ( -1.430 0.000 6.173) 6.337 2.705 ( -3.909 0.000 6.931) 7.957 2.725 ( 1.237 0.000 -9.689) 9.767 2.799 ( 4.592 0.000 -5.477) 7.148 2.842 ( 4.692 0.000 6.922) 8.363 2.858 ( 6.306 0.000 -0.671) 6.341 2.908 ( -0.156 0.000 4.754) 4.757 2.948 ( 0.195 0.000 1.529) 1.541 3.073 ( 1.778 0.000 3.466) 3.895 3.225 ( -0.967 0.000 4.891) 4.986 3.255 ( 8.662 0.000 -5.705) 10.372 3.367 ( 0.270 0.000 -2.645) 2.659 3.378 ( 2.328 0.000 4.355) 4.938 3.513 ( 2.670 0.000 4.723) 5.425 3.528 ( -0.974 0.000 2.726) 2.895 3.530 ( 12.578 0.000 -0.893) 12.610 3.632 ( 5.286 0.000 1.451) 5.481 3.715 ( 3.060 0.000 4.286) 5.266 3.744 ( 5.413 0.000 3.316) 6.348 3.827 ( 2.144 0.000 -1.737) 2.759 3.931 ( 0.967 0.000 -6.640) 6.711 3.960 ( -2.991 0.000 9.381) 9.847 4.036 ( 0.709 0.000 -1.734) 1.873 4.196 ( -4.545 0.000 -1.808) 4.892 4.207 ( -1.511 0.000 -1.828) 2.371 4.288 ( -4.444 0.000 -5.181) 6.826 4.300 ( 3.975 0.000 -1.932) 4.419 4.372 ( -1.412 0.000 -3.137) 3.440 4.412 ( -1.449 0.000 3.391) 3.688 4.415 ( 3.282 0.000 4.192) 5.325 4.626 ( 0.276 0.000 8.930) 8.934 4.680 ( 1.485 0.000 -3.472) 3.776 4.702 ( 0.235 0.000 4.927) 4.933 4.777 ( 4.567 0.000 2.302) 5.115 4.846 ( 0.781 0.000 -4.365) 4.434 4.892 ( 2.085 0.000 5.124) 5.531 4.920 ( -6.738 0.000 -0.225) 6.742 4.958 ( 0.526 0.000 1.820) 1.894 4.974 ( -3.917 0.000 4.911) 6.282 5.132 ( 4.785 0.000 0.353) 4.798 5.217 ( -1.220 0.000 -1.244) 1.742 5.309 ( 5.266 0.000 -0.872) 5.338 5.311 ( -7.968 0.000 -0.728) 8.002 5.401 ( -3.022 0.000 5.053) 5.888 5.471 ( -4.551 0.000 -4.604) 6.474 5.482 ( 5.865 0.000 -2.223) 6.272 5.603 ( -3.546 0.000 5.652) 6.672 5.638 ( -3.739 0.000 -2.472) 4.482 5.868 ( 5.456 0.000 -2.082) 5.839 5.908 ( -0.242 0.000 0.517) 0.571 5.969 ( 0.559 0.000 -3.751) 3.793 6.080 ( 0.890 0.000 1.451) 1.702 6.089 ( -2.069 0.000 -0.899) 2.256 6.132 ( -3.214 0.000 -5.832) 6.659 6.161 ( -8.052 0.000 2.086) 8.318 6.221 ( -1.544 0.000 1.306) 2.022 6.489 ( 0.110 0.000 2.237) 2.240 6.562 ( -1.504 0.000 -4.540) 4.783 6.580 ( 1.585 0.000 1.341) 2.076 6.666 ( -0.517 0.000 -3.539) 3.577 6.711 ( 2.965 0.000 -0.748) 3.058 6.749 ( -3.025 0.000 0.428) 3.055 6.897 ( -6.200 0.000 -3.048) 6.909 7.138 ( -5.372 0.000 -1.109) 5.485 7.686 ( -17.543 0.000 0.233) 17.545 7.758 ( -15.873 0.000 1.413) 15.936 7.958 ( -18.564 0.000 1.643) 18.636 8.199 ( -12.494 0.000 -0.323) 12.498 8.600 ( 3.728 0.000 -1.128) 3.895 8.773 ( -2.488 0.000 -0.658) 2.574 8.854 ( -2.536 0.000 2.067) 3.272 8.886 ( 0.954 0.000 1.334) 1.640 9.005 ( 2.652 0.000 1.498) 3.046 9.043 ( -0.873 0.000 -3.351) 3.463 9.085 ( 4.974 0.000 0.050) 4.974 9.112 ( 3.962 0.000 1.288) 4.166 9.199 ( 4.151 0.000 0.879) 4.243 9.233 ( 5.474 0.000 -0.013) 5.474 9.314 ( 3.960 0.000 -0.389) 3.979 9.323 ( 1.752 0.000 1.060) 2.047 9.717 ( -6.540 0.000 0.370) 6.551 9.725 ( -7.941 0.000 -3.406) 8.640 9.779 ( -12.957 0.000 2.092) 13.125 9.878 ( -9.912 0.000 -1.891) 10.091 9.882 ( -0.482 0.000 -4.692) 4.717 10.036 ( -4.830 0.000 5.720) 7.487 10.151 ( -9.089 0.000 -1.316) 9.184 10.309 ( -3.706 0.000 1.747) 4.097 10.459 ( -3.370 0.000 1.048) 3.529 10.545 ( -1.692 0.000 0.458) 1.753 10.691 ( -1.843 0.000 -0.836) 2.024 10.723 ( -5.600 0.000 0.346) 5.611 11.438 ( 12.035 0.000 0.468) 12.044 11.464 ( 9.698 0.000 -0.741) 9.726 11.498 ( 6.995 0.000 0.125) 6.996 11.536 ( 5.083 0.000 0.505) 5.108 11.936 ( -2.516 0.000 -1.080) 2.738 11.945 ( 1.750 0.000 0.218) 1.764 12.021 ( -2.186 0.000 0.713) 2.299 12.022 ( -3.004 0.000 -0.406) 3.031 12.137 ( -1.245 0.000 2.153) 2.487 12.177 ( 3.487 0.000 -1.686) 3.873 12.223 ( 5.355 0.000 1.213) 5.491 12.238 ( 0.788 0.000 -1.057) 1.318 12.625 ( 4.154 0.000 -0.454) 4.179 12.637 ( 3.452 0.000 1.047) 3.607 12.820 ( 0.496 0.000 -0.472) 0.685 12.852 ( -0.965 0.000 -0.247) 0.996 13.261 ( 2.238 0.000 0.661) 2.333 13.278 ( 2.657 0.000 -0.954) 2.824 13.730 ( -5.681 0.000 -1.175) 5.801 13.744 ( -10.102 0.000 0.472) 10.113 13.764 ( 12.555 0.000 -1.147) 12.607 13.927 ( 15.078 0.000 6.935) 16.597 14.186 ( -2.053 0.000 0.696) 2.168 14.188 ( -2.414 0.000 -1.353) 2.767 14.260 ( -0.764 0.000 -0.971) 1.236 14.285 ( 1.440 0.000 0.542) 1.539 14.629 ( -4.273 0.000 -1.638) 4.576 14.692 ( -2.471 0.000 1.115) 2.711 14.941 ( 10.792 0.000 1.879) 10.954 15.006 ( 9.717 0.000 -3.278) 10.255 15.250 ( 5.670 0.000 0.762) 5.721 15.310 ( 8.106 0.000 0.049) 8.106 15.321 ( 9.824 0.000 -0.471) 9.835 15.342 ( 2.321 0.000 1.061) 2.552 15.487 ( -0.028 0.000 1.598) 1.598 15.501 ( -1.308 0.000 -1.078) 1.695 15.693 ( 10.246 0.000 -1.095) 10.304 15.785 ( -0.520 0.000 -4.421) 4.452 15.818 ( 9.782 0.000 5.064) 11.015 15.915 ( -2.919 0.000 2.741) 4.005 16.357 ( 3.001 0.000 -1.276) 3.260 16.405 ( 2.329 0.000 -1.259) 2.647 16.418 ( -0.896 0.000 2.517) 2.671 16.557 ( 1.262 0.000 4.780) 4.943 17.122 ( 0.679 0.000 0.268) 0.730 17.153 ( 2.068 0.000 -0.028) 2.068 17.202 ( 0.451 0.000 0.953) 1.055 17.211 ( 0.665 0.000 -1.968) 2.077 19.681 ( 4.221 0.000 -1.665) 4.537 19.728 ( 5.944 0.000 3.195) 6.748 19.918 ( 3.966 0.000 -0.047) 3.966 19.946 ( 7.169 0.000 1.958) 7.431 20.386 ( -9.031 0.000 1.486) 9.152 20.464 ( -8.668 0.000 -1.610) 8.816 20.626 ( -6.507 0.000 1.369) 6.650 20.717 ( -5.535 0.000 -0.334) 5.545 21.773 ( 9.393 0.000 -1.999) 9.603 21.780 ( 10.083 0.000 -1.362) 10.175 21.952 ( 9.768 0.000 -0.004) 9.768 21.957 ( 9.520 0.000 0.962) 9.569 22.699 ( -9.198 0.000 0.858) 9.238 22.867 ( -7.868 0.000 0.509) 7.884 22.952 ( -11.303 0.000 0.894) 11.338 23.016 ( -10.362 0.000 -0.937) 10.404 26.891 ( 17.614 0.000 -1.196) 17.655 26.931 ( 18.713 0.000 2.234) 18.845 27.109 ( 24.653 0.000 -6.324) 25.451 27.488 ( 28.753 0.000 20.697) 35.428 28.690 ( -22.674 0.000 0.264) 22.675 28.696 ( -23.490 0.000 -0.869) 23.506 29.101 ( -21.732 0.000 -2.281) 21.851 29.163 ( -19.364 0.000 0.728) 19.378 30.198 ( 16.378 0.000 -1.061) 16.412 30.281 ( 17.553 0.000 2.434) 17.721 30.595 ( 8.956 0.000 -3.126) 9.486 30.647 ( 3.516 0.000 -1.322) 3.756 30.663 ( 3.771 0.000 1.053) 3.915 30.740 ( 8.152 0.000 1.182) 8.238 31.023 ( 8.829 0.000 -1.209) 8.912 31.099 ( 5.587 0.000 10.810) 12.168 31.351 ( -8.688 0.000 -0.664) 8.713 31.489 ( -9.791 0.000 0.918) 9.834 31.702 ( -9.148 0.000 -2.770) 9.558 31.787 ( -11.758 0.000 3.290) 12.209 31.894 ( 4.390 0.000 1.826) 4.754 31.904 ( 3.436 0.000 -4.254) 5.469 32.155 ( 3.357 0.000 1.153) 3.549 32.455 ( 6.452 0.000 8.320) 10.529 32.672 ( 12.561 0.000 -1.435) 12.643 32.750 ( 11.221 0.000 6.094) 12.769 32.789 ( 14.965 0.000 0.465) 14.972 32.881 ( 5.407 0.000 9.728) 11.129 33.330 ( -4.823 0.000 -3.092) 5.729 33.404 ( -3.323 0.000 3.011) 4.484 33.604 ( -6.484 0.000 2.350) 6.896 33.673 ( -7.210 0.000 4.463) 8.480 34.706 ( -2.637 0.000 -0.213) 2.646 34.773 ( -1.889 0.000 -2.720) 3.312 34.931 ( 2.376 0.000 -3.203) 3.988 35.023 ( 2.375 0.000 -3.397) 4.145 35.285 ( 1.106 0.000 2.508) 2.741 35.381 ( 3.720 0.000 -1.567) 4.036 35.485 ( 4.447 0.000 -2.797) 5.253 35.519 ( 3.477 0.000 -0.639) 3.536 35.689 ( 5.162 0.000 -7.898) 9.435 35.693 ( 1.711 0.000 -8.073) 8.252 35.880 ( 2.953 0.000 4.511) 5.392 35.891 ( -1.863 0.000 4.355) 4.737 36.763 ( 1.229 0.000 -22.293) 22.327 37.298 ( -10.513 0.000 15.092) 18.393 37.767 ( -20.388 0.000 -19.214) 28.015 38.011 ( -22.118 0.000 8.729) 23.778 ======================= Grid point 88 (43/63) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 15.340 0.000 -3.467) 15.727 1.556 ( 16.592 0.000 -8.993) 18.873 1.824 ( 2.046 0.000 0.070) 2.047 1.954 ( 2.320 0.000 -2.140) 3.156 2.052 ( 1.657 0.000 -2.179) 2.738 2.052 ( -8.476 0.000 -0.696) 8.504 2.159 ( -2.351 0.000 -17.522) 17.679 2.246 ( 7.462 0.000 -2.419) 7.844 2.257 ( 4.741 0.000 -3.205) 5.723 2.420 ( 5.939 0.000 -12.093) 13.473 2.492 ( 0.732 0.000 7.785) 7.819 2.520 ( 17.782 0.000 0.405) 17.787 2.631 ( 1.405 0.000 -4.567) 4.778 2.690 ( -4.294 0.000 2.971) 5.221 2.722 ( 1.931 0.000 3.032) 3.595 2.783 ( 2.293 0.000 -4.575) 5.118 2.789 ( -10.504 0.000 3.260) 10.998 2.926 ( -7.875 0.000 -3.927) 8.800 3.002 ( 0.673 0.000 4.729) 4.776 3.090 ( 14.147 0.000 2.132) 14.307 3.092 ( 3.385 0.000 -1.444) 3.680 3.324 ( 2.868 0.000 5.085) 5.838 3.329 ( 3.416 0.000 4.351) 5.532 3.332 ( 6.287 0.000 -0.318) 6.295 3.474 ( -5.844 0.000 1.604) 6.060 3.498 ( 7.331 0.000 -2.163) 7.644 3.652 ( 3.356 0.000 -4.960) 5.989 3.656 ( 0.958 0.000 2.193) 2.393 3.696 ( 0.673 0.000 -5.440) 5.481 3.711 ( 5.338 0.000 -5.848) 7.918 3.777 ( -6.704 0.000 -2.747) 7.245 3.827 ( -9.362 0.000 7.013) 11.698 3.927 ( 6.415 0.000 -5.174) 8.242 4.036 ( -5.703 0.000 2.403) 6.188 4.062 ( 6.873 0.000 -0.680) 6.906 4.071 ( 1.318 0.000 1.748) 2.189 4.197 ( 1.209 0.000 1.082) 1.623 4.232 ( 2.453 0.000 2.385) 3.421 4.245 ( -2.418 0.000 -0.764) 2.536 4.385 ( 1.004 0.000 -1.206) 1.569 4.491 ( 1.202 0.000 5.643) 5.769 4.492 ( 1.132 0.000 1.888) 2.202 4.620 ( -7.893 0.000 -1.398) 8.016 4.647 ( -2.203 0.000 -3.032) 3.748 4.670 ( -4.769 0.000 -2.989) 5.629 4.708 ( -0.517 0.000 -0.379) 0.641 4.858 ( 0.065 0.000 3.982) 3.983 4.873 ( -2.467 0.000 -0.319) 2.487 4.956 ( -0.054 0.000 2.192) 2.193 4.966 ( -1.343 0.000 3.614) 3.856 5.130 ( 8.744 0.000 3.822) 9.543 5.161 ( -0.907 0.000 -0.000) 0.907 5.217 ( -2.239 0.000 3.036) 3.772 5.337 ( -3.013 0.000 2.921) 4.197 5.359 ( 6.409 0.000 0.240) 6.414 5.361 ( -8.882 0.000 7.210) 11.440 5.394 ( 7.984 0.000 -1.613) 8.146 5.517 ( -0.198 0.000 -1.020) 1.039 5.567 ( -2.079 0.000 -0.598) 2.163 5.610 ( -3.270 0.000 4.652) 5.686 5.885 ( 1.885 0.000 -3.718) 4.169 5.888 ( -2.634 0.000 0.611) 2.704 5.919 ( 1.866 0.000 -4.684) 5.042 6.015 ( -9.013 0.000 1.751) 9.182 6.021 ( 1.277 0.000 -2.947) 3.212 6.137 ( 4.381 0.000 -0.050) 4.381 6.183 ( 7.112 0.000 -0.538) 7.132 6.199 ( -2.057 0.000 -3.164) 3.774 6.504 ( 1.578 0.000 -0.819) 1.778 6.545 ( -4.322 0.000 -2.398) 4.942 6.575 ( 3.250 0.000 2.696) 4.223 6.607 ( -2.050 0.000 2.287) 3.071 6.758 ( 2.646 0.000 0.857) 2.782 6.801 ( 7.134 0.000 -1.555) 7.301 6.906 ( 4.061 0.000 -0.490) 4.090 7.026 ( -6.802 0.000 -1.127) 6.895 7.429 ( -12.878 0.000 2.545) 13.127 7.523 ( -11.838 0.000 0.491) 11.849 7.709 ( -11.903 0.000 3.985) 12.553 7.975 ( -11.634 0.000 -1.457) 11.724 8.639 ( 2.006 0.000 -1.175) 2.325 8.714 ( -2.418 0.000 -1.600) 2.899 8.841 ( -1.927 0.000 2.315) 3.012 8.886 ( -0.694 0.000 -0.298) 0.755 9.010 ( 1.516 0.000 -1.635) 2.230 9.051 ( 0.479 0.000 1.332) 1.416 9.135 ( 2.416 0.000 -1.052) 2.635 9.147 ( -1.708 0.000 2.003) 2.632 9.259 ( 3.704 0.000 0.022) 3.704 9.346 ( 7.246 0.000 -1.098) 7.329 9.363 ( 3.192 0.000 -1.241) 3.425 9.416 ( 2.143 0.000 3.339) 3.967 9.546 ( -9.048 0.000 -1.053) 9.109 9.567 ( -8.975 0.000 -0.855) 9.015 9.606 ( -6.335 0.000 0.685) 6.372 9.720 ( -6.631 0.000 -1.477) 6.793 9.867 ( 3.933 0.000 -3.671) 5.380 9.982 ( -5.474 0.000 0.962) 5.558 10.053 ( -2.757 0.000 2.168) 3.507 10.237 ( -4.979 0.000 -0.904) 5.060 10.436 ( -1.818 0.000 1.790) 2.551 10.509 ( -1.732 0.000 -1.081) 2.042 10.648 ( -2.997 0.000 0.845) 3.114 10.664 ( -0.743 0.000 -0.074) 0.747 11.549 ( 2.849 0.000 0.417) 2.879 11.589 ( 4.380 0.000 -1.008) 4.494 11.622 ( 5.357 0.000 0.547) 5.385 11.645 ( 6.975 0.000 -0.223) 6.978 11.893 ( -0.805 0.000 -0.535) 0.967 11.956 ( -0.077 0.000 -1.380) 1.382 11.981 ( -1.851 0.000 0.434) 1.901 11.995 ( -1.275 0.000 -0.456) 1.354 12.144 ( -1.140 0.000 2.203) 2.481 12.213 ( 2.408 0.000 -1.931) 3.087 12.264 ( 2.482 0.000 1.299) 2.802 12.318 ( 4.476 0.000 -0.167) 4.479 12.664 ( 1.542 0.000 -0.705) 1.696 12.691 ( 2.002 0.000 0.081) 2.004 12.810 ( -3.099 0.000 -0.283) 3.112 12.819 ( -0.937 0.000 0.104) 0.943 13.320 ( 3.511 0.000 -0.718) 3.584 13.323 ( 4.041 0.000 0.387) 4.060 13.576 ( -7.361 0.000 -0.330) 7.369 13.599 ( -6.935 0.000 0.058) 6.935 13.987 ( 9.089 0.000 0.323) 9.095 14.153 ( 1.423 0.000 -1.536) 2.093 14.177 ( 6.082 0.000 2.032) 6.413 14.206 ( 3.707 0.000 -0.338) 3.723 14.258 ( 2.705 0.000 0.871) 2.842 14.311 ( 2.538 0.000 -1.070) 2.755 14.505 ( -7.983 0.000 -0.729) 8.016 14.624 ( -6.938 0.000 0.032) 6.938 15.058 ( 2.304 0.000 -1.266) 2.629 15.065 ( 2.870 0.000 0.600) 2.932 15.339 ( -4.274 0.000 0.313) 4.285 15.340 ( 3.819 0.000 -0.073) 3.820 15.376 ( -1.513 0.000 0.400) 1.565 15.393 ( 3.823 0.000 -0.780) 3.902 15.493 ( 2.353 0.000 -0.983) 2.550 15.549 ( 2.248 0.000 0.656) 2.342 15.848 ( 9.108 0.000 -0.104) 9.108 15.882 ( 9.885 0.000 0.397) 9.893 15.925 ( 3.482 0.000 -0.168) 3.486 16.011 ( 3.618 0.000 3.753) 5.213 16.373 ( -1.181 0.000 0.127) 1.188 16.408 ( 2.265 0.000 -2.045) 3.052 16.421 ( -2.689 0.000 3.008) 4.034 16.529 ( -8.144 0.000 1.809) 8.342 17.139 ( 0.798 0.000 0.073) 0.802 17.194 ( 0.222 0.000 -2.063) 2.075 17.202 ( 2.908 0.000 0.229) 2.917 17.222 ( -0.030 0.000 1.244) 1.245 19.782 ( 8.435 0.000 -0.248) 8.439 19.878 ( 7.084 0.000 1.686) 7.282 20.011 ( 5.280 0.000 0.721) 5.329 20.096 ( 5.358 0.000 1.835) 5.664 20.247 ( -9.085 0.000 2.052) 9.314 20.285 ( -8.534 0.000 -1.507) 8.666 20.536 ( -5.902 0.000 1.951) 6.216 20.606 ( -6.025 0.000 -0.462) 6.043 21.943 ( 11.255 0.000 -1.053) 11.305 21.952 ( 9.332 0.000 0.315) 9.338 22.130 ( 9.253 0.000 0.534) 9.269 22.131 ( 10.936 0.000 -0.398) 10.943 22.556 ( -8.035 0.000 0.789) 8.074 22.694 ( -9.804 0.000 -2.013) 10.008 22.780 ( -10.606 0.000 1.877) 10.771 22.820 ( -9.924 0.000 -1.129) 9.988 27.198 ( 18.806 0.000 -1.115) 18.839 27.285 ( 17.251 0.000 1.881) 17.353 27.481 ( 25.358 0.000 -3.117) 25.549 28.051 ( 7.674 0.000 10.888) 13.321 28.299 ( -19.724 0.000 -1.210) 19.761 28.337 ( -18.487 0.000 1.280) 18.531 28.700 ( -19.829 0.000 1.469) 19.884 28.868 ( -15.349 0.000 1.697) 15.443 30.430 ( 11.374 0.000 -0.479) 11.384 30.546 ( 11.039 0.000 -0.384) 11.046 30.653 ( 1.293 0.000 -1.574) 2.037 30.720 ( 1.619 0.000 0.075) 1.621 30.787 ( 11.714 0.000 1.730) 11.841 30.887 ( 7.771 0.000 -0.184) 7.774 31.161 ( -5.223 0.000 1.095) 5.336 31.205 ( 4.035 0.000 1.255) 4.226 31.253 ( -6.367 0.000 1.901) 6.644 31.338 ( -3.687 0.000 7.424) 8.289 31.560 ( -5.953 0.000 1.340) 6.102 31.619 ( -11.762 0.000 3.421) 12.249 31.950 ( 5.282 0.000 -1.777) 5.573 32.035 ( 1.962 0.000 5.868) 6.187 32.319 ( 10.099 0.000 6.330) 11.919 32.648 ( 3.796 0.000 7.231) 8.167 32.830 ( 7.278 0.000 -2.070) 7.567 32.898 ( -6.757 0.000 4.409) 8.068 33.035 ( 12.235 0.000 -0.791) 12.261 33.053 ( 13.964 0.000 1.408) 14.035 33.208 ( -3.493 0.000 -2.650) 4.384 33.385 ( -6.189 0.000 5.104) 8.023 33.508 ( -8.515 0.000 2.711) 8.937 33.561 ( -10.687 0.000 2.502) 10.976 34.706 ( 0.372 0.000 3.465) 3.485 34.755 ( 1.181 0.000 1.057) 1.585 34.920 ( 1.567 0.000 -3.965) 4.264 35.001 ( 1.466 0.000 -5.430) 5.624 35.353 ( 2.054 0.000 3.984) 4.482 35.416 ( 2.052 0.000 -0.967) 2.268 35.514 ( 4.536 0.000 -5.099) 6.825 35.542 ( 1.128 0.000 -2.646) 2.876 35.652 ( 4.321 0.000 -7.107) 8.318 35.701 ( 4.595 0.000 -4.511) 6.439 35.833 ( -4.747 0.000 -2.461) 5.347 35.891 ( -3.049 0.000 -4.672) 5.579 36.695 ( 13.489 0.000 -8.466) 15.926 37.202 ( -15.802 0.000 6.578) 17.116 37.365 ( 2.403 0.000 -14.335) 14.535 37.715 ( -22.529 0.000 5.770) 23.256 ======================= Grid point 89 (44/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 9.144 0.000 3.426) 9.765 1.722 ( -11.123 0.000 -1.886) 11.282 1.733 ( 9.466 0.000 -3.111) 9.965 1.792 ( -11.615 0.000 -9.822) 15.211 1.983 ( 0.164 0.000 -1.620) 1.628 2.001 ( -3.201 0.000 -4.216) 5.293 2.146 ( 13.173 0.000 5.578) 14.305 2.320 ( -4.995 0.000 -8.091) 9.508 2.340 ( -8.651 0.000 1.751) 8.827 2.406 ( 11.528 0.000 6.558) 13.263 2.474 ( -17.202 0.000 1.302) 17.252 2.493 ( 9.464 0.000 3.230) 10.000 2.511 ( 1.995 0.000 -10.724) 10.908 2.624 ( -6.802 0.000 -9.233) 11.468 2.777 ( -4.349 0.000 3.053) 5.314 2.821 ( 6.779 0.000 1.928) 7.047 2.883 ( 6.135 0.000 2.900) 6.786 2.924 ( 7.177 0.000 2.258) 7.524 3.032 ( 0.523 0.000 1.894) 1.965 3.046 ( -5.897 0.000 -2.165) 6.282 3.289 ( 8.699 0.000 -0.564) 8.718 3.301 ( -11.974 0.000 -2.236) 12.181 3.358 ( -7.469 0.000 3.651) 8.314 3.407 ( -3.342 0.000 -0.773) 3.430 3.498 ( 2.272 0.000 -3.914) 4.526 3.523 ( 7.800 0.000 4.956) 9.242 3.560 ( -2.966 0.000 -2.845) 4.110 3.577 ( -2.448 0.000 1.533) 2.888 3.659 ( 1.207 0.000 -4.209) 4.379 3.673 ( -4.650 0.000 -4.023) 6.149 3.779 ( 3.990 0.000 -0.513) 4.023 3.791 ( 0.275 0.000 0.057) 0.281 3.908 ( -4.129 0.000 2.629) 4.895 3.992 ( 4.096 0.000 -3.297) 5.258 4.149 ( -0.390 0.000 2.220) 2.254 4.162 ( 5.731 0.000 0.522) 5.754 4.256 ( 0.800 0.000 0.287) 0.850 4.270 ( 0.583 0.000 -0.610) 0.844 4.316 ( 5.062 0.000 2.492) 5.642 4.384 ( -2.463 0.000 -3.410) 4.207 4.424 ( -2.823 0.000 1.594) 3.242 4.478 ( -2.617 0.000 -1.953) 3.265 4.527 ( -2.163 0.000 -0.037) 2.163 4.544 ( 1.177 0.000 -3.504) 3.696 4.687 ( 1.973 0.000 4.460) 4.877 4.728 ( -0.085 0.000 0.279) 0.291 4.853 ( -0.117 0.000 2.600) 2.602 4.908 ( 0.621 0.000 1.634) 1.748 4.946 ( 0.851 0.000 -2.418) 2.563 4.965 ( 1.999 0.000 -1.988) 2.819 5.145 ( -2.495 0.000 3.924) 4.650 5.191 ( -1.699 0.000 0.529) 1.779 5.292 ( -8.843 0.000 6.848) 11.184 5.330 ( -3.205 0.000 2.799) 4.255 5.349 ( 7.421 0.000 2.120) 7.718 5.388 ( 2.448 0.000 -2.587) 3.561 5.496 ( -0.775 0.000 0.626) 0.996 5.529 ( 3.531 0.000 -1.938) 4.028 5.586 ( 4.784 0.000 2.262) 5.292 5.598 ( -3.116 0.000 1.743) 3.570 5.819 ( -6.740 0.000 1.464) 6.897 5.906 ( 4.894 0.000 -5.072) 7.048 5.930 ( -4.161 0.000 2.976) 5.115 5.963 ( 7.001 0.000 0.024) 7.001 6.034 ( 3.202 0.000 -1.463) 3.520 6.073 ( -4.991 0.000 -4.226) 6.540 6.206 ( 2.153 0.000 -0.426) 2.195 6.219 ( -2.200 0.000 -1.933) 2.929 6.526 ( -1.472 0.000 1.901) 2.404 6.550 ( 0.088 0.000 -0.178) 0.199 6.605 ( 2.265 0.000 1.107) 2.521 6.624 ( 1.823 0.000 -0.465) 1.881 6.807 ( 0.797 0.000 0.513) 0.948 6.818 ( -2.493 0.000 -1.221) 2.776 6.928 ( -0.578 0.000 0.603) 0.835 6.938 ( -1.524 0.000 -0.287) 1.551 7.364 ( 1.805 0.000 2.685) 3.235 7.402 ( -0.559 0.000 -0.993) 1.140 7.705 ( 3.764 0.000 5.730) 6.856 7.800 ( -3.675 0.000 -3.608) 5.150 8.653 ( 1.767 0.000 -0.746) 1.918 8.660 ( -1.421 0.000 -1.483) 2.054 8.843 ( -1.113 0.000 2.246) 2.506 8.872 ( 0.073 0.000 -0.783) 0.786 9.048 ( 2.973 0.000 -0.063) 2.974 9.049 ( -1.833 0.000 0.118) 1.837 9.127 ( -2.727 0.000 1.829) 3.284 9.160 ( 2.376 0.000 -1.325) 2.721 9.344 ( 3.700 0.000 1.490) 3.988 9.383 ( -3.674 0.000 -2.256) 4.311 9.389 ( -6.601 0.000 1.603) 6.793 9.422 ( 5.207 0.000 -1.531) 5.427 9.433 ( -2.649 0.000 2.052) 3.350 9.470 ( 3.356 0.000 -1.682) 3.754 9.609 ( 3.604 0.000 -0.121) 3.606 9.615 ( -3.252 0.000 -0.642) 3.315 9.895 ( -6.024 0.000 0.370) 6.036 9.921 ( 6.066 0.000 -1.957) 6.374 10.087 ( 3.160 0.000 2.766) 4.200 10.138 ( -3.407 0.000 -2.333) 4.129 10.438 ( -0.375 0.000 1.945) 1.980 10.475 ( 0.211 0.000 -1.793) 1.805 10.641 ( 0.258 0.000 1.024) 1.056 10.655 ( -0.053 0.000 -0.338) 0.342 11.582 ( 0.037 0.000 0.929) 0.930 11.604 ( -0.190 0.000 -1.151) 1.166 11.690 ( 0.503 0.000 0.636) 0.811 11.703 ( -0.218 0.000 -0.515) 0.559 11.898 ( 1.380 0.000 0.229) 1.399 11.910 ( -2.358 0.000 -1.114) 2.608 11.965 ( -0.760 0.000 0.913) 1.188 11.984 ( 0.961 0.000 -0.884) 1.306 12.154 ( -1.345 0.000 2.813) 3.118 12.209 ( 0.623 0.000 -2.532) 2.608 12.323 ( 1.188 0.000 1.459) 1.882 12.350 ( -0.151 0.000 -1.342) 1.350 12.682 ( 0.887 0.000 0.498) 1.017 12.697 ( -1.490 0.000 -0.954) 1.769 12.780 ( 0.905 0.000 0.675) 1.129 12.795 ( -0.499 0.000 -0.714) 0.871 13.369 ( 1.125 0.000 0.016) 1.125 13.370 ( -1.162 0.000 -0.134) 1.170 13.504 ( 1.208 0.000 0.389) 1.269 13.515 ( -1.233 0.000 -0.610) 1.376 14.083 ( 1.597 0.000 1.881) 2.467 14.125 ( -1.939 0.000 -2.151) 2.896 14.228 ( 0.455 0.000 0.510) 0.684 14.239 ( -0.160 0.000 -0.539) 0.562 14.354 ( -8.761 0.000 1.001) 8.818 14.381 ( 6.623 0.000 -1.537) 6.799 14.421 ( 10.260 0.000 2.167) 10.487 14.465 ( -8.352 0.000 -2.225) 8.644 15.097 ( -0.410 0.000 -0.107) 0.423 15.098 ( 1.472 0.000 -0.173) 1.482 15.285 ( 0.381 0.000 0.736) 0.829 15.298 ( -1.508 0.000 -0.529) 1.598 15.401 ( 0.396 0.000 0.079) 0.404 15.406 ( -1.003 0.000 -0.457) 1.102 15.551 ( 3.076 0.000 0.037) 3.077 15.552 ( -2.547 0.000 0.016) 2.547 15.952 ( 0.789 0.000 0.549) 0.961 15.965 ( -0.613 0.000 -0.732) 0.955 16.029 ( 5.128 0.000 0.971) 5.219 16.035 ( -3.571 0.000 0.256) 3.580 16.380 ( 4.108 0.000 0.922) 4.210 16.388 ( -5.526 0.000 0.904) 5.600 16.411 ( -2.951 0.000 0.767) 3.049 16.442 ( 3.732 0.000 -1.556) 4.044 17.149 ( 0.078 0.000 0.529) 0.534 17.169 ( -0.608 0.000 -1.355) 1.486 17.228 ( -0.899 0.000 0.858) 1.243 17.242 ( 1.619 0.000 -0.462) 1.684 19.924 ( 5.852 0.000 -0.045) 5.852 19.931 ( -4.782 0.000 -0.738) 4.839 20.091 ( 4.850 0.000 0.844) 4.923 20.097 ( -4.015 0.000 0.307) 4.027 20.177 ( -3.639 0.000 2.613) 4.480 20.206 ( 0.395 0.000 0.027) 0.395 20.499 ( -0.134 0.000 2.149) 2.154 20.541 ( 0.868 0.000 -1.582) 1.805 22.042 ( -1.006 0.000 0.548) 1.145 22.056 ( 1.257 0.000 -0.818) 1.500 22.255 ( 0.615 0.000 0.922) 1.108 22.266 ( 0.386 0.000 -0.081) 0.394 22.487 ( 2.132 0.000 1.015) 2.361 22.523 ( -3.279 0.000 -2.488) 4.117 22.687 ( -0.697 0.000 1.376) 1.542 22.710 ( 0.683 0.000 -0.824) 1.070 27.436 ( -5.606 0.000 0.135) 5.608 27.438 ( 5.530 0.000 -0.087) 5.530 27.876 ( 19.547 0.000 1.942) 19.643 27.915 ( -22.125 0.000 -1.992) 22.214 28.110 ( -4.799 0.000 0.333) 4.810 28.123 ( 6.168 0.000 -1.134) 6.272 28.666 ( 6.712 0.000 4.641) 8.161 28.703 ( -5.109 0.000 0.935) 5.194 30.560 ( 3.143 0.000 0.548) 3.190 30.579 ( -4.507 0.000 -1.348) 4.704 30.701 ( 3.962 0.000 -0.036) 3.962 30.702 ( -3.621 0.000 -0.123) 3.623 30.993 ( -2.465 0.000 0.551) 2.526 30.997 ( 1.862 0.000 0.036) 1.862 31.038 ( 5.612 0.000 2.289) 6.061 31.082 ( -4.680 0.000 -2.126) 5.141 31.353 ( 4.192 0.000 3.411) 5.404 31.392 ( -3.421 0.000 -0.596) 3.472 31.503 ( -4.754 0.000 6.485) 8.041 31.554 ( 3.851 0.000 1.031) 3.987 32.042 ( 5.664 0.000 1.693) 5.912 32.044 ( -5.717 0.000 1.683) 5.960 32.625 ( 14.081 0.000 7.178) 15.805 32.662 ( -13.371 0.000 3.696) 13.873 32.828 ( -4.272 0.000 -1.885) 4.670 32.830 ( 2.277 0.000 -1.815) 2.911 33.172 ( 0.507 0.000 -0.948) 1.075 33.174 ( 1.599 0.000 -1.109) 1.946 33.291 ( 6.187 0.000 2.972) 6.864 33.311 ( -7.415 0.000 0.825) 7.461 33.420 ( -1.784 0.000 1.133) 2.113 33.421 ( 1.321 0.000 0.961) 1.634 34.774 ( -0.045 0.000 5.900) 5.900 34.820 ( 1.221 0.000 4.607) 4.766 34.890 ( 1.042 0.000 -4.754) 4.866 34.939 ( -0.140 0.000 -6.519) 6.520 35.427 ( -0.444 0.000 0.347) 0.563 35.443 ( 2.866 0.000 2.616) 3.881 35.498 ( -1.463 0.000 -2.814) 3.171 35.521 ( 3.684 0.000 -4.949) 6.169 35.656 ( 5.730 0.000 -6.482) 8.651 35.694 ( -6.611 0.000 -5.342) 8.500 35.726 ( 1.545 0.000 0.102) 1.548 35.760 ( -2.465 0.000 -3.294) 4.114 36.935 ( -19.740 0.000 0.936) 19.762 36.947 ( 19.370 0.000 -0.358) 19.373 37.390 ( -21.050 0.000 3.378) 21.319 37.466 ( 18.602 0.000 -4.155) 19.061 ======================= Grid point 90 (45/63) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -20.894 0.000 -2.772) 21.077 1.435 ( -19.357 0.000 2.686) 19.542 1.833 ( -6.808 0.000 2.073) 7.116 1.871 ( 3.006 0.000 7.631) 8.201 1.923 ( -3.973 0.000 5.215) 6.556 1.926 ( -3.670 0.000 -0.733) 3.742 2.051 ( -1.826 0.000 -0.316) 1.853 2.208 ( -16.052 0.000 1.920) 16.167 2.246 ( -5.382 0.000 -2.063) 5.764 2.327 ( -3.028 0.000 -5.682) 6.438 2.502 ( 7.681 0.000 3.187) 8.316 2.514 ( 0.585 0.000 0.475) 0.753 2.646 ( -11.002 0.000 -4.742) 11.980 2.659 ( 7.638 0.000 7.523) 10.721 2.766 ( 10.150 0.000 3.869) 10.863 2.785 ( -11.770 0.000 -5.077) 12.818 2.867 ( 3.256 0.000 -9.518) 10.060 2.970 ( 7.436 0.000 -4.776) 8.837 3.028 ( -5.244 0.000 5.779) 7.804 3.033 ( -0.123 0.000 1.457) 1.463 3.104 ( -8.545 0.000 1.015) 8.605 3.335 ( -6.777 0.000 12.118) 13.885 3.353 ( -1.475 0.000 -0.392) 1.526 3.420 ( 1.178 0.000 0.770) 1.408 3.434 ( -7.670 0.000 -5.165) 9.247 3.522 ( -1.114 0.000 -4.583) 4.717 3.538 ( -0.534 0.000 8.171) 8.188 3.596 ( -0.872 0.000 -2.605) 2.747 3.608 ( 1.138 0.000 4.362) 4.508 3.649 ( -0.166 0.000 -1.001) 1.015 3.731 ( -2.110 0.000 0.853) 2.276 3.886 ( 7.784 0.000 2.619) 8.212 3.909 ( -2.654 0.000 0.098) 2.656 4.059 ( 11.123 0.000 -3.185) 11.570 4.079 ( -5.718 0.000 -3.597) 6.755 4.177 ( -5.799 0.000 -0.355) 5.810 4.178 ( -4.443 0.000 -5.891) 7.379 4.267 ( 4.077 0.000 -1.569) 4.368 4.306 ( -1.645 0.000 -1.859) 2.482 4.382 ( -1.789 0.000 -0.794) 1.957 4.510 ( 4.690 0.000 4.501) 6.500 4.514 ( 0.553 0.000 0.539) 0.772 4.549 ( 6.626 0.000 3.809) 7.643 4.557 ( 3.672 0.000 1.377) 3.922 4.689 ( -0.913 0.000 -1.946) 2.149 4.727 ( 0.808 0.000 -2.102) 2.252 4.947 ( 2.976 0.000 -3.715) 4.760 4.961 ( 3.040 0.000 -1.068) 3.222 4.965 ( 5.978 0.000 -1.523) 6.169 4.969 ( 5.064 0.000 -1.053) 5.172 5.134 ( -6.376 0.000 3.488) 7.268 5.152 ( -4.211 0.000 1.009) 4.330 5.239 ( -6.520 0.000 7.024) 9.584 5.267 ( -2.038 0.000 -0.787) 2.185 5.377 ( -4.642 0.000 0.481) 4.667 5.434 ( 2.711 0.000 -0.479) 2.753 5.501 ( 0.221 0.000 -6.347) 6.351 5.541 ( 2.210 0.000 -3.431) 4.081 5.566 ( 1.916 0.000 0.113) 1.919 5.685 ( 5.164 0.000 -1.688) 5.433 5.767 ( -2.388 0.000 5.399) 5.903 5.887 ( -3.814 0.000 0.192) 3.819 5.929 ( 3.112 0.000 -3.482) 4.670 5.982 ( -1.982 0.000 0.214) 1.993 6.051 ( 5.576 0.000 -2.132) 5.970 6.108 ( -1.122 0.000 3.048) 3.248 6.149 ( 1.070 0.000 0.861) 1.373 6.168 ( -5.780 0.000 0.270) 5.786 6.474 ( -4.540 0.000 1.667) 4.837 6.510 ( -1.123 0.000 1.341) 1.749 6.641 ( 0.136 0.000 -3.118) 3.121 6.663 ( 3.044 0.000 -3.041) 4.303 6.773 ( -5.495 0.000 1.124) 5.609 6.775 ( -1.281 0.000 -1.134) 1.711 6.886 ( -5.118 0.000 1.345) 5.292 6.989 ( 5.430 0.000 2.261) 5.882 7.485 ( 11.853 0.000 -2.634) 12.142 7.520 ( 12.569 0.000 1.037) 12.612 7.800 ( 10.129 0.000 -4.808) 11.213 7.916 ( 11.560 0.000 4.605) 12.443 8.630 ( -0.949 0.000 -0.541) 1.092 8.693 ( 3.153 0.000 0.346) 3.172 8.861 ( -0.089 0.000 2.373) 2.375 8.872 ( 0.803 0.000 -0.684) 1.055 9.003 ( -2.338 0.000 -0.767) 2.461 9.072 ( 0.008 0.000 -0.939) 0.939 9.106 ( -2.410 0.000 1.706) 2.953 9.178 ( 0.703 0.000 -0.969) 1.197 9.273 ( -4.354 0.000 -1.352) 4.559 9.317 ( -3.994 0.000 1.505) 4.268 9.340 ( -3.376 0.000 1.235) 3.595 9.460 ( -5.756 0.000 0.346) 5.766 9.530 ( 8.770 0.000 -1.651) 8.924 9.549 ( 10.542 0.000 1.146) 10.604 9.648 ( 9.979 0.000 -2.567) 10.304 9.691 ( 5.446 0.000 1.060) 5.548 9.805 ( -5.210 0.000 2.133) 5.630 10.006 ( 6.191 0.000 -1.606) 6.396 10.095 ( 1.968 0.000 -1.784) 2.656 10.204 ( 5.928 0.000 2.302) 6.359 10.473 ( 1.756 0.000 -1.766) 2.491 10.480 ( 2.506 0.000 1.883) 3.135 10.661 ( 0.788 0.000 0.245) 0.825 10.664 ( 2.313 0.000 -0.658) 2.405 11.561 ( -3.433 0.000 -0.724) 3.508 11.569 ( -3.270 0.000 0.869) 3.384 11.633 ( -6.065 0.000 -0.583) 6.093 11.638 ( -7.134 0.000 0.484) 7.150 11.883 ( 0.119 0.000 0.382) 0.400 11.930 ( 0.919 0.000 1.080) 1.418 11.985 ( 1.748 0.000 0.460) 1.807 11.990 ( 0.344 0.000 -0.407) 0.533 12.164 ( -1.705 0.000 2.793) 3.272 12.183 ( -0.233 0.000 -1.824) 1.839 12.297 ( -2.702 0.000 -1.645) 3.164 12.320 ( -2.420 0.000 -0.216) 2.430 12.650 ( -2.639 0.000 0.471) 2.681 12.688 ( -1.088 0.000 0.273) 1.121 12.809 ( 2.379 0.000 -0.149) 2.384 12.823 ( 1.926 0.000 -0.189) 1.935 13.309 ( -4.041 0.000 0.386) 4.059 13.331 ( -3.532 0.000 -0.428) 3.557 13.572 ( 6.876 0.000 0.058) 6.876 13.598 ( 7.420 0.000 0.141) 7.422 14.001 ( -11.115 0.000 -1.134) 11.173 14.109 ( -1.393 0.000 2.747) 3.080 14.199 ( -2.816 0.000 0.364) 2.839 14.206 ( -3.211 0.000 -0.828) 3.316 14.289 ( -5.758 0.000 -1.984) 6.090 14.290 ( -0.606 0.000 1.029) 1.194 14.504 ( 7.041 0.000 -0.701) 7.075 14.614 ( 8.755 0.000 1.019) 8.814 15.044 ( -4.108 0.000 0.064) 4.108 15.081 ( -1.131 0.000 -0.996) 1.507 15.333 ( 3.101 0.000 0.793) 3.201 15.338 ( -2.691 0.000 0.033) 2.691 15.372 ( 1.008 0.000 0.645) 1.197 15.377 ( -4.083 0.000 0.737) 4.149 15.486 ( -2.390 0.000 -0.412) 2.425 15.562 ( -1.569 0.000 -0.508) 1.649 15.859 ( -9.540 0.000 -0.923) 9.585 15.898 ( -10.440 0.000 -1.042) 10.492 15.916 ( -2.985 0.000 0.688) 3.063 16.071 ( 0.398 0.000 -1.697) 1.743 16.361 ( -0.452 0.000 2.004) 2.055 16.388 ( -0.508 0.000 -0.783) 0.933 16.466 ( 1.742 0.000 -1.068) 2.043 16.554 ( 11.715 0.000 -0.150) 11.716 17.145 ( -0.649 0.000 -0.602) 0.885 17.156 ( -0.784 0.000 1.504) 1.697 17.206 ( -2.226 0.000 -0.040) 2.226 17.246 ( 0.241 0.000 -1.092) 1.118 19.788 ( -8.476 0.000 -0.585) 8.496 19.902 ( -4.915 0.000 -0.676) 4.962 20.026 ( -6.864 0.000 -0.578) 6.888 20.114 ( -4.663 0.000 0.453) 4.685 20.234 ( 7.322 0.000 3.231) 8.004 20.276 ( 8.077 0.000 -0.719) 8.109 20.584 ( 6.040 0.000 -2.438) 6.513 20.588 ( 6.645 0.000 1.397) 6.790 21.934 ( -10.654 0.000 -0.191) 10.656 21.964 ( -9.580 0.000 -0.824) 9.616 22.124 ( -11.597 0.000 0.321) 11.602 22.138 ( -10.238 0.000 -0.283) 10.242 22.585 ( 9.671 0.000 -2.093) 9.895 22.643 ( 9.622 0.000 2.782) 10.016 22.790 ( 8.745 0.000 1.777) 8.923 22.814 ( 10.662 0.000 -1.389) 10.752 27.183 ( -18.987 0.000 0.323) 18.990 27.307 ( -16.703 0.000 -0.234) 16.705 27.456 ( -26.738 0.000 -0.354) 26.741 28.144 ( 6.646 0.000 1.572) 6.830 28.284 ( 19.993 0.000 0.304) 19.995 28.370 ( 18.072 0.000 -1.602) 18.142 28.759 ( 14.520 0.000 -2.886) 14.804 28.881 ( 14.154 0.000 0.467) 14.162 30.428 ( -11.744 0.000 -0.187) 11.745 30.519 ( -9.806 0.000 1.697) 9.951 30.636 ( -3.102 0.000 0.301) 3.116 30.719 ( -1.540 0.000 -0.014) 1.540 30.827 ( -12.179 0.000 -1.805) 12.312 30.875 ( -7.476 0.000 0.908) 7.531 31.177 ( 7.922 0.000 -0.996) 7.984 31.229 ( -9.949 0.000 -0.439) 9.958 31.250 ( 11.257 0.000 0.970) 11.299 31.444 ( 4.977 0.000 -0.755) 5.034 31.580 ( 5.792 0.000 0.302) 5.799 31.670 ( 8.526 0.000 -1.060) 8.592 31.938 ( -5.945 0.000 -0.137) 5.946 32.161 ( 5.591 0.000 -1.911) 5.908 32.414 ( -13.690 0.000 -2.339) 13.889 32.690 ( -8.678 0.000 0.322) 8.684 32.797 ( -7.515 0.000 1.012) 7.583 32.920 ( 9.833 0.000 3.049) 10.295 33.061 ( -8.593 0.000 -2.788) 9.034 33.069 ( -12.841 0.000 -0.194) 12.842 33.187 ( 1.219 0.000 -0.636) 1.375 33.462 ( 12.726 0.000 0.846) 12.755 33.544 ( 9.645 0.000 -0.381) 9.652 33.591 ( 11.705 0.000 -0.366) 11.711 34.821 ( -0.815 0.000 -7.166) 7.212 34.830 ( -1.381 0.000 4.995) 5.183 34.843 ( -1.073 0.000 -7.323) 7.402 34.886 ( -0.813 0.000 5.301) 5.363 35.403 ( -2.352 0.000 -0.392) 2.384 35.446 ( -2.749 0.000 0.508) 2.795 35.460 ( 1.042 0.000 -6.475) 6.559 35.521 ( 1.528 0.000 -2.627) 3.039 35.547 ( -5.010 0.000 -0.696) 5.058 35.697 ( -2.703 0.000 -0.744) 2.803 35.729 ( 2.027 0.000 7.654) 7.918 35.772 ( 3.011 0.000 3.306) 4.471 36.593 ( -20.142 0.000 1.827) 20.225 37.123 ( -15.620 0.000 8.349) 17.712 37.277 ( 18.385 0.000 -1.041) 18.414 37.796 ( 22.542 0.000 -2.567) 22.688 ======================= Grid point 91 (46/63) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -20.126 0.000 9.596) 22.297 1.127 ( -24.302 0.000 9.881) 26.234 1.727 ( -23.623 0.000 8.017) 24.947 1.777 ( -19.566 0.000 9.546) 21.771 1.836 ( -14.905 0.000 9.280) 17.558 1.923 ( 0.765 0.000 5.203) 5.259 2.054 ( 3.145 0.000 5.175) 6.056 2.182 ( 4.886 0.000 -2.085) 5.313 2.221 ( -1.380 0.000 8.450) 8.562 2.234 ( -1.081 0.000 0.381) 1.147 2.475 ( -6.527 0.000 -3.234) 7.284 2.513 ( 8.764 0.000 -6.551) 10.942 2.577 ( -1.818 0.000 5.673) 5.957 2.628 ( -7.921 0.000 8.834) 11.865 2.729 ( -0.948 0.000 -5.719) 5.797 2.815 ( 3.768 0.000 -2.871) 4.737 2.910 ( -8.970 0.000 -5.832) 10.699 2.919 ( 1.216 0.000 -2.490) 2.771 3.009 ( -2.434 0.000 -1.710) 2.975 3.042 ( 2.670 0.000 4.201) 4.978 3.073 ( 5.096 0.000 -4.649) 6.898 3.197 ( -7.674 0.000 0.307) 7.680 3.293 ( -1.082 0.000 0.328) 1.131 3.319 ( -2.687 0.000 -3.221) 4.194 3.432 ( -1.579 0.000 1.947) 2.507 3.522 ( -9.118 0.000 -0.348) 9.124 3.529 ( -1.142 0.000 -1.401) 1.807 3.550 ( -3.724 0.000 2.993) 4.778 3.614 ( -2.530 0.000 7.112) 7.548 3.695 ( -0.353 0.000 -3.453) 3.471 3.760 ( -2.347 0.000 6.928) 7.315 3.900 ( 1.817 0.000 -4.475) 4.830 3.929 ( -6.241 0.000 -8.729) 10.731 3.946 ( -3.407 0.000 5.670) 6.615 4.075 ( 3.267 0.000 0.175) 3.271 4.153 ( -0.621 0.000 4.945) 4.984 4.203 ( 8.233 0.000 -3.422) 8.916 4.276 ( -0.346 0.000 -1.726) 1.760 4.280 ( 4.191 0.000 -4.814) 6.382 4.340 ( -1.581 0.000 -0.114) 1.585 4.497 ( -1.722 0.000 -2.749) 3.244 4.535 ( 1.382 0.000 -6.122) 6.276 4.639 ( 0.035 0.000 1.326) 1.327 4.712 ( 3.141 0.000 3.460) 4.673 4.735 ( 7.347 0.000 4.478) 8.604 4.766 ( 4.644 0.000 -1.752) 4.963 4.895 ( -0.498 0.000 -5.791) 5.813 4.917 ( -1.000 0.000 -7.485) 7.552 4.980 ( -3.443 0.000 -1.501) 3.756 5.024 ( -4.338 0.000 -2.571) 5.043 5.059 ( 6.806 0.000 -3.454) 7.633 5.108 ( -0.929 0.000 3.101) 3.237 5.221 ( -5.291 0.000 2.093) 5.690 5.278 ( 3.660 0.000 1.537) 3.969 5.336 ( -1.185 0.000 -3.725) 3.909 5.414 ( 3.404 0.000 -1.442) 3.696 5.436 ( -7.952 0.000 1.220) 8.045 5.493 ( 1.255 0.000 -2.683) 2.962 5.618 ( 3.194 0.000 -0.344) 3.213 5.727 ( 4.689 0.000 -5.408) 7.158 5.819 ( -5.066 0.000 2.802) 5.789 5.875 ( 3.491 0.000 6.042) 6.978 5.921 ( -0.059 0.000 -1.185) 1.187 5.990 ( -0.601 0.000 5.756) 5.788 6.084 ( -2.237 0.000 0.839) 2.389 6.092 ( -0.326 0.000 0.024) 0.327 6.131 ( 3.230 0.000 2.335) 3.985 6.254 ( 6.703 0.000 0.434) 6.717 6.461 ( -1.171 0.000 4.035) 4.201 6.555 ( -0.349 0.000 5.510) 5.521 6.564 ( -2.271 0.000 -4.286) 4.851 6.620 ( -3.610 0.000 -1.817) 4.042 6.707 ( -0.634 0.000 -0.433) 0.768 6.772 ( 3.076 0.000 -1.723) 3.526 6.833 ( -0.578 0.000 2.775) 2.834 7.097 ( 2.966 0.000 2.611) 3.951 7.707 ( 15.901 0.000 -1.592) 15.981 7.786 ( 17.404 0.000 -1.032) 17.434 8.004 ( 17.404 0.000 -2.901) 17.644 8.171 ( 12.354 0.000 2.589) 12.622 8.594 ( -2.813 0.000 -0.543) 2.865 8.760 ( 3.406 0.000 0.551) 3.450 8.878 ( 0.464 0.000 -0.211) 0.510 8.886 ( -0.527 0.000 1.561) 1.647 8.983 ( -0.014 0.000 1.960) 1.960 9.030 ( -3.175 0.000 -0.983) 3.324 9.076 ( -3.729 0.000 0.952) 3.849 9.139 ( -4.077 0.000 -1.208) 4.252 9.215 ( -1.421 0.000 -0.499) 1.506 9.230 ( -5.557 0.000 0.127) 5.559 9.318 ( -8.602 0.000 -0.510) 8.617 9.340 ( 1.280 0.000 -0.603) 1.415 9.666 ( 4.968 0.000 1.448) 5.175 9.733 ( 8.385 0.000 -1.245) 8.477 9.799 ( 2.169 0.000 3.125) 3.804 9.831 ( 9.208 0.000 2.743) 9.608 9.832 ( 13.696 0.000 -2.349) 13.896 10.130 ( 6.431 0.000 -3.328) 7.241 10.136 ( 8.604 0.000 0.153) 8.605 10.320 ( 4.871 0.000 0.562) 4.903 10.486 ( 2.318 0.000 -1.500) 2.761 10.554 ( 3.830 0.000 -0.102) 3.832 10.675 ( 0.737 0.000 0.594) 0.947 10.729 ( 5.470 0.000 -0.178) 5.473 11.450 ( -10.361 0.000 -0.727) 10.386 11.452 ( -10.791 0.000 0.530) 10.804 11.500 ( -6.610 0.000 -0.048) 6.610 11.538 ( -4.849 0.000 0.327) 4.860 11.916 ( 1.690 0.000 0.888) 1.910 11.944 ( -0.368 0.000 0.324) 0.490 12.002 ( 1.434 0.000 1.646) 2.183 12.024 ( 2.604 0.000 0.097) 2.606 12.149 ( -3.052 0.000 0.991) 3.209 12.161 ( -0.921 0.000 -0.454) 1.027 12.251 ( -0.123 0.000 -1.693) 1.697 12.251 ( -3.558 0.000 -1.512) 3.866 12.612 ( -3.499 0.000 0.896) 3.612 12.652 ( -3.079 0.000 -0.371) 3.101 12.819 ( -1.209 0.000 -0.479) 1.300 12.846 ( 1.286 0.000 0.360) 1.336 13.259 ( -2.806 0.000 0.876) 2.939 13.276 ( -1.735 0.000 -0.788) 1.905 13.703 ( -2.371 0.000 1.327) 2.717 13.749 ( 10.072 0.000 -0.138) 10.073 13.759 ( -5.041 0.000 -0.322) 5.051 14.063 ( -7.766 0.000 -5.809) 9.698 14.142 ( 1.069 0.000 3.519) 3.678 14.200 ( 2.864 0.000 -0.629) 2.932 14.245 ( -0.107 0.000 0.420) 0.434 14.294 ( 0.101 0.000 -0.346) 0.360 14.604 ( 4.350 0.000 0.737) 4.412 14.712 ( 2.388 0.000 -0.841) 2.532 14.950 ( -9.968 0.000 2.113) 10.190 15.000 ( -8.076 0.000 -3.553) 8.823 15.265 ( -3.644 0.000 -0.667) 3.705 15.290 ( -6.376 0.000 1.628) 6.580 15.312 ( -9.418 0.000 0.226) 9.421 15.359 ( -3.393 0.000 -0.094) 3.394 15.486 ( 1.222 0.000 0.419) 1.292 15.522 ( 0.163 0.000 -1.602) 1.611 15.685 ( -8.767 0.000 -0.121) 8.768 15.733 ( -3.742 0.000 0.805) 3.828 15.910 ( -2.141 0.000 -1.640) 2.697 15.998 ( 0.250 0.000 -6.761) 6.765 16.340 ( -3.432 0.000 0.572) 3.480 16.386 ( -1.207 0.000 0.609) 1.352 16.455 ( -1.205 0.000 -0.875) 1.490 16.690 ( 5.803 0.000 -8.063) 9.935 17.131 ( -0.266 0.000 -0.629) 0.683 17.149 ( -2.110 0.000 0.672) 2.214 17.176 ( -0.890 0.000 1.123) 1.433 17.227 ( -0.704 0.000 -1.559) 1.710 19.663 ( -5.037 0.000 0.314) 5.046 19.794 ( -5.054 0.000 -3.154) 5.957 19.910 ( -5.051 0.000 0.854) 5.123 19.991 ( -7.714 0.000 -1.997) 7.969 20.410 ( 8.227 0.000 -0.944) 8.281 20.416 ( 8.193 0.000 2.874) 8.683 20.667 ( 6.662 0.000 -2.356) 7.066 20.713 ( 5.647 0.000 0.208) 5.651 21.738 ( -10.143 0.000 1.037) 10.196 21.765 ( -11.316 0.000 0.042) 11.316 21.946 ( -9.458 0.000 0.528) 9.472 21.965 ( -9.727 0.000 0.148) 9.729 22.737 ( 10.800 0.000 -2.822) 11.163 22.846 ( 9.541 0.000 2.852) 9.959 22.978 ( 9.732 0.000 -1.716) 9.882 22.982 ( 9.701 0.000 2.480) 10.013 26.873 ( -16.899 0.000 0.673) 16.912 26.972 ( -19.254 0.000 -1.522) 19.315 27.028 ( -23.315 0.000 1.965) 23.398 27.982 ( -14.232 0.000 -23.933) 27.845 28.682 ( 24.059 0.000 0.552) 24.066 28.696 ( 21.744 0.000 -0.540) 21.751 29.073 ( 20.265 0.000 0.179) 20.266 29.167 ( 18.525 0.000 0.154) 18.526 30.181 ( -16.730 0.000 0.520) 16.738 30.303 ( -16.621 0.000 0.427) 16.626 30.550 ( -10.765 0.000 1.141) 10.826 30.631 ( -5.493 0.000 0.026) 5.493 30.670 ( -3.474 0.000 -0.233) 3.482 30.758 ( -6.863 0.000 -0.262) 6.868 31.007 ( -12.093 0.000 0.646) 12.111 31.346 ( 8.976 0.000 -0.250) 8.979 31.352 ( 1.710 0.000 -9.174) 9.332 31.537 ( 10.968 0.000 -5.280) 12.173 31.681 ( 5.797 0.000 -0.514) 5.820 31.821 ( 9.998 0.000 -0.199) 10.000 31.867 ( -1.987 0.000 0.256) 2.004 32.048 ( -5.995 0.000 -16.464) 17.521 32.201 ( -6.092 0.000 -2.183) 6.472 32.536 ( -9.687 0.000 -0.677) 9.710 32.629 ( -13.231 0.000 2.351) 13.438 32.792 ( -15.136 0.000 -0.536) 15.146 32.811 ( -14.820 0.000 -1.293) 14.877 33.127 ( 10.388 0.000 -5.644) 11.822 33.269 ( 4.863 0.000 2.232) 5.351 33.605 ( 11.089 0.000 -16.509) 19.888 33.676 ( 7.816 0.000 -3.575) 8.595 33.749 ( 8.530 0.000 -2.917) 9.015 34.728 ( -0.396 0.000 -4.323) 4.341 34.745 ( -0.918 0.000 -1.108) 1.439 34.855 ( -2.098 0.000 4.150) 4.651 34.925 ( -2.206 0.000 5.531) 5.955 35.344 ( -1.842 0.000 -2.585) 3.174 35.370 ( -3.485 0.000 -2.054) 4.045 35.418 ( -2.992 0.000 2.853) 4.134 35.507 ( -1.840 0.000 0.006) 1.840 35.507 ( -4.098 0.000 6.102) 7.350 35.647 ( -2.346 0.000 0.337) 2.370 35.838 ( 0.740 0.000 7.843) 7.877 35.931 ( 4.517 0.000 3.528) 5.731 36.370 ( -13.868 0.000 13.851) 19.600 37.245 ( 8.499 0.000 31.352) 32.484 37.513 ( 13.517 0.000 -6.538) 15.015 38.134 ( 20.503 0.000 -3.973) 20.885 ======================= Grid point 92 (47/63) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -27.015 0.000 17.112) 31.978 0.922 ( -19.158 0.000 22.108) 29.254 1.403 ( -14.419 0.000 29.721) 33.034 1.528 ( -19.963 0.000 -6.406) 20.966 1.811 ( -0.948 0.000 -1.907) 2.130 1.971 ( 3.284 0.000 1.071) 3.454 2.123 ( 7.587 0.000 -7.665) 10.785 2.258 ( -0.847 0.000 10.560) 10.594 2.321 ( -0.331 0.000 10.499) 10.504 2.407 ( 3.457 0.000 1.604) 3.811 2.410 ( 0.419 0.000 17.636) 17.641 2.455 ( -5.808 0.000 2.607) 6.366 2.657 ( 3.976 0.000 2.381) 4.634 2.670 ( -5.006 0.000 1.013) 5.108 2.732 ( 0.145 0.000 7.147) 7.149 2.763 ( -3.834 0.000 -3.374) 5.107 2.777 ( -1.948 0.000 -1.172) 2.274 2.841 ( -1.589 0.000 -10.703) 10.820 2.968 ( 4.167 0.000 -2.717) 4.975 3.002 ( 1.741 0.000 1.041) 2.029 3.087 ( -3.053 0.000 -13.254) 13.601 3.115 ( -2.258 0.000 1.803) 2.889 3.265 ( -2.772 0.000 -4.127) 4.972 3.291 ( -10.783 0.000 -0.911) 10.822 3.347 ( -0.749 0.000 0.848) 1.132 3.384 ( -2.331 0.000 -3.699) 4.372 3.421 ( -3.707 0.000 1.552) 4.019 3.526 ( -1.465 0.000 -1.225) 1.910 3.581 ( -1.836 0.000 -2.572) 3.160 3.678 ( -2.931 0.000 8.681) 9.162 3.714 ( -5.822 0.000 -3.566) 6.827 3.783 ( 0.111 0.000 -5.245) 5.246 3.904 ( 2.930 0.000 6.813) 7.416 4.012 ( 0.303 0.000 3.999) 4.010 4.062 ( -1.328 0.000 -5.564) 5.720 4.203 ( -0.312 0.000 0.788) 0.848 4.228 ( -3.170 0.000 -0.325) 3.187 4.269 ( 1.976 0.000 -0.712) 2.101 4.319 ( -0.205 0.000 -1.759) 1.771 4.344 ( 5.207 0.000 -0.773) 5.265 4.398 ( -3.139 0.000 -4.860) 5.786 4.542 ( 7.328 0.000 -4.472) 8.585 4.638 ( -1.772 0.000 2.106) 2.752 4.689 ( -0.307 0.000 -9.072) 9.077 4.729 ( 0.211 0.000 -5.398) 5.402 4.730 ( -4.592 0.000 -11.614) 12.489 4.821 ( 1.616 0.000 4.033) 4.344 4.879 ( -0.422 0.000 0.295) 0.515 4.954 ( 0.075 0.000 1.459) 1.461 5.028 ( -0.989 0.000 -7.190) 7.257 5.114 ( 4.869 0.000 3.212) 5.833 5.117 ( 5.556 0.000 -6.027) 8.197 5.214 ( -0.299 0.000 2.592) 2.609 5.241 ( -3.162 0.000 -0.040) 3.163 5.250 ( -11.147 0.000 0.221) 11.150 5.402 ( 4.826 0.000 3.838) 6.166 5.497 ( 0.134 0.000 -1.593) 1.599 5.509 ( 1.747 0.000 1.924) 2.599 5.669 ( 2.070 0.000 1.696) 2.676 5.716 ( 2.702 0.000 -6.095) 6.667 5.768 ( -2.816 0.000 2.362) 3.675 5.917 ( 0.720 0.000 0.767) 1.052 5.922 ( -2.216 0.000 5.312) 5.756 6.083 ( 0.172 0.000 -1.743) 1.751 6.105 ( 0.586 0.000 0.403) 0.711 6.212 ( 11.004 0.000 4.727) 11.976 6.226 ( -0.112 0.000 3.409) 3.411 6.279 ( 1.040 0.000 -4.433) 4.553 6.498 ( -0.115 0.000 2.805) 2.807 6.546 ( -2.572 0.000 0.812) 2.697 6.562 ( 4.961 0.000 1.245) 5.115 6.604 ( -0.462 0.000 4.579) 4.602 6.756 ( 5.374 0.000 0.038) 5.374 6.783 ( -0.163 0.000 0.541) 0.565 7.142 ( 26.879 0.000 7.462) 27.895 7.168 ( 0.582 0.000 4.962) 4.996 7.965 ( 14.365 0.000 1.120) 14.408 8.064 ( 16.668 0.000 -2.744) 16.892 8.274 ( 15.741 0.000 -1.185) 15.786 8.393 ( 10.364 0.000 1.006) 10.413 8.537 ( -2.290 0.000 0.047) 2.291 8.794 ( -3.400 0.000 0.119) 3.402 8.832 ( -4.251 0.000 -1.711) 4.582 8.871 ( -3.239 0.000 1.534) 3.584 8.962 ( -2.818 0.000 -0.627) 2.887 8.969 ( -6.664 0.000 -2.132) 6.997 9.036 ( 0.853 0.000 2.399) 2.546 9.040 ( -3.630 0.000 -1.167) 3.813 9.151 ( -3.697 0.000 -0.199) 3.702 9.168 ( -1.422 0.000 -2.997) 3.317 9.242 ( -2.352 0.000 3.220) 3.988 9.349 ( 1.878 0.000 -2.458) 3.093 9.728 ( -0.891 0.000 6.080) 6.145 9.820 ( 4.854 0.000 -1.414) 5.056 9.930 ( 6.929 0.000 0.375) 6.939 10.025 ( 7.110 0.000 2.372) 7.495 10.028 ( 10.642 0.000 -1.090) 10.698 10.141 ( 2.781 0.000 -5.679) 6.323 10.332 ( 10.310 0.000 -0.303) 10.314 10.379 ( 2.869 0.000 -1.185) 3.104 10.522 ( 2.489 0.000 -0.383) 2.518 10.585 ( 1.694 0.000 -1.981) 2.607 10.716 ( 2.188 0.000 1.425) 2.611 10.809 ( 3.042 0.000 -0.838) 3.156 11.226 ( -12.730 0.000 -1.836) 12.862 11.237 ( -13.041 0.000 0.641) 13.057 11.419 ( -3.244 0.000 0.353) 3.263 11.462 ( -3.388 0.000 -0.481) 3.421 11.934 ( -1.312 0.000 2.151) 2.520 11.937 ( 0.695 0.000 -1.017) 1.231 12.081 ( 3.612 0.000 -0.527) 3.651 12.087 ( 3.131 0.000 -0.867) 3.249 12.106 ( -0.753 0.000 3.571) 3.650 12.133 ( -2.781 0.000 0.865) 2.913 12.177 ( -1.780 0.000 -2.233) 2.856 12.241 ( 1.330 0.000 -1.760) 2.206 12.543 ( -4.455 0.000 0.058) 4.456 12.578 ( -4.084 0.000 -0.919) 4.186 12.805 ( -0.334 0.000 0.857) 0.920 12.858 ( -0.013 0.000 -0.103) 0.104 13.229 ( -2.118 0.000 1.130) 2.401 13.249 ( -0.088 0.000 -1.223) 1.226 13.449 ( -14.862 0.000 0.840) 14.885 13.674 ( -26.353 0.000 -13.872) 29.781 13.924 ( 9.158 0.000 -0.018) 9.158 13.928 ( 11.174 0.000 0.158) 11.175 14.211 ( 1.152 0.000 1.332) 1.761 14.227 ( -0.120 0.000 -0.770) 0.780 14.290 ( 4.806 0.000 1.958) 5.190 14.324 ( 6.402 0.000 -1.689) 6.621 14.648 ( -2.944 0.000 -0.346) 2.964 14.689 ( -6.895 0.000 1.430) 7.041 14.748 ( -9.091 0.000 -0.418) 9.100 14.775 ( -8.181 0.000 0.436) 8.193 15.080 ( -12.944 0.000 1.201) 12.999 15.117 ( -12.197 0.000 -1.347) 12.271 15.127 ( -12.816 0.000 -4.816) 13.691 15.227 ( -10.499 0.000 0.248) 10.502 15.537 ( 2.998 0.000 0.849) 3.116 15.574 ( 7.376 0.000 0.032) 7.376 15.641 ( 3.151 0.000 0.267) 3.162 15.704 ( -7.208 0.000 -4.418) 8.454 15.787 ( 2.506 0.000 5.092) 5.675 16.012 ( 4.023 0.000 -4.055) 5.713 16.287 ( -3.214 0.000 1.146) 3.413 16.340 ( -3.744 0.000 0.482) 3.775 16.419 ( -2.072 0.000 -0.235) 2.085 16.493 ( -11.813 0.000 -7.703) 14.103 17.123 ( 0.399 0.000 -0.462) 0.611 17.128 ( -0.746 0.000 0.298) 0.803 17.185 ( -0.651 0.000 1.912) 2.020 17.205 ( 0.231 0.000 -0.440) 0.497 19.631 ( -1.192 0.000 0.591) 1.330 19.674 ( -3.212 0.000 -3.215) 4.545 19.863 ( -2.792 0.000 -0.198) 2.799 19.877 ( -0.777 0.000 0.812) 1.124 20.530 ( 6.567 0.000 -0.630) 6.597 20.558 ( 4.001 0.000 2.173) 4.553 20.747 ( 5.444 0.000 -1.826) 5.742 20.777 ( 1.637 0.000 0.642) 1.759 21.615 ( -6.734 0.000 1.802) 6.971 21.658 ( -1.977 0.000 0.921) 2.181 21.815 ( -6.877 0.000 0.067) 6.878 21.817 ( -5.747 0.000 0.079) 5.748 22.865 ( 7.723 0.000 -2.864) 8.237 22.975 ( 2.860 0.000 -2.410) 3.740 23.123 ( 8.112 0.000 0.908) 8.163 23.155 ( 6.321 0.000 1.784) 6.568 26.639 ( -10.469 0.000 0.129) 10.470 26.664 ( -12.842 0.000 -1.249) 12.903 26.719 ( -15.181 0.000 2.190) 15.338 27.068 ( -41.325 0.000 -23.428) 47.504 29.089 ( 23.593 0.000 0.335) 23.595 29.097 ( 23.011 0.000 0.479) 23.016 29.377 ( 11.601 0.000 2.665) 11.903 29.484 ( 16.693 0.000 -1.010) 16.723 29.880 ( -19.285 0.000 1.043) 19.314 29.964 ( -20.681 0.000 -2.278) 20.806 30.401 ( -9.511 0.000 7.215) 11.938 30.586 ( -2.245 0.000 1.235) 2.562 30.599 ( -4.593 0.000 -0.103) 4.594 30.635 ( -4.473 0.000 -1.863) 4.846 30.844 ( -8.590 0.000 2.436) 8.929 31.078 ( -9.043 0.000 -12.866) 15.726 31.454 ( 3.299 0.000 -0.180) 3.304 31.546 ( -4.134 0.000 -0.721) 4.196 31.778 ( 2.680 0.000 5.935) 6.512 31.903 ( 6.665 0.000 0.212) 6.668 31.940 ( 10.633 0.000 -2.031) 10.825 32.002 ( 10.391 0.000 0.447) 10.401 32.173 ( 4.393 0.000 -1.389) 4.608 32.352 ( -8.745 0.000 -2.521) 9.101 32.421 ( -13.762 0.000 2.510) 13.989 32.519 ( -15.275 0.000 -0.062) 15.276 32.542 ( -14.339 0.000 -1.395) 14.407 33.046 ( 1.833 0.000 -29.296) 29.353 33.375 ( 2.980 0.000 3.296) 4.444 33.491 ( 1.558 0.000 -10.783) 10.895 33.722 ( 3.959 0.000 -4.777) 6.204 33.809 ( 4.159 0.000 -5.058) 6.548 34.769 ( 5.299 0.000 0.948) 5.383 34.792 ( 3.370 0.000 3.891) 5.147 34.858 ( -2.953 0.000 3.301) 4.429 34.948 ( -2.518 0.000 4.512) 5.167 35.295 ( 0.086 0.000 -2.444) 2.446 35.306 ( -3.404 0.000 0.886) 3.518 35.408 ( -1.888 0.000 2.328) 2.997 35.460 ( -2.876 0.000 -0.090) 2.877 35.539 ( -2.755 0.000 8.353) 8.796 35.647 ( -0.715 0.000 4.478) 4.535 35.871 ( -0.892 0.000 -3.160) 3.283 35.953 ( 0.981 0.000 -4.833) 4.932 36.525 ( -2.635 0.000 31.359) 31.469 37.564 ( 6.829 0.000 -13.786) 15.385 38.054 ( 30.578 0.000 20.081) 36.582 38.382 ( 13.883 0.000 -4.497) 14.593 ======================= Grid point 93 (48/63) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -5.567 16.407 16.065) 23.628 1.295 ( 4.946 11.113 -15.067) 19.364 1.377 ( 0.033 25.155 17.370) 30.570 1.738 ( 2.914 12.775 -15.139) 20.022 1.798 ( -3.811 -17.939 8.117) 20.056 1.941 ( 3.611 -4.604 12.611) 13.902 1.977 ( 0.587 -4.236 3.779) 5.707 2.181 ( -2.755 -15.107 5.950) 16.469 2.313 ( -4.175 -4.776 8.719) 10.783 2.409 ( 2.843 -0.121 4.957) 5.716 2.467 ( 2.194 0.156 -0.037) 2.200 2.544 ( -10.456 -2.578 -2.316) 11.016 2.582 ( 4.331 -7.756 9.126) 12.736 2.655 ( 0.965 -6.519 0.205) 6.593 2.719 ( 0.496 3.431 3.784) 5.132 2.787 ( -0.106 2.334 -0.888) 2.499 2.826 ( -0.443 3.021 -0.800) 3.156 2.838 ( -1.549 1.719 1.134) 2.577 2.912 ( -1.159 6.721 0.149) 6.821 2.969 ( -1.847 1.045 -4.447) 4.927 3.039 ( 3.354 0.728 -4.478) 5.642 3.084 ( 0.206 1.163 -3.405) 3.604 3.193 ( 1.885 -4.535 -7.159) 8.682 3.258 ( 1.228 6.150 -4.081) 7.482 3.353 ( 0.400 0.286 1.100) 1.205 3.387 ( -0.956 -1.011 -3.596) 3.856 3.425 ( -0.059 0.622 1.597) 1.715 3.442 ( -1.824 2.627 -2.107) 3.829 3.631 ( 2.337 2.901 3.189) 4.904 3.683 ( -2.335 0.501 -1.247) 2.694 3.737 ( -0.949 2.582 5.213) 5.894 3.806 ( 0.622 3.965 -2.054) 4.509 3.923 ( -7.583 0.772 3.437) 8.361 3.982 ( -0.899 -3.004 -0.306) 3.151 4.045 ( 2.589 -2.558 3.303) 4.915 4.122 ( -2.617 -3.519 -1.452) 4.619 4.171 ( 3.640 -2.056 -0.731) 4.244 4.236 ( -1.891 -1.902 3.779) 4.634 4.250 ( 3.502 1.886 -5.261) 6.595 4.343 ( 6.032 3.780 -3.590) 7.973 4.463 ( 2.812 0.370 -0.433) 2.869 4.531 ( 0.055 0.874 -5.436) 5.507 4.578 ( -4.007 8.104 -3.275) 9.615 4.658 ( -0.352 2.657 -6.176) 6.732 4.712 ( -0.279 1.999 1.817) 2.716 4.785 ( 3.082 -1.978 1.222) 3.861 4.804 ( -0.758 -1.905 -2.031) 2.885 4.871 ( -3.950 -1.170 -2.710) 4.931 5.018 ( 1.546 3.250 2.603) 4.442 5.052 ( 3.410 3.314 0.844) 4.829 5.074 ( -1.914 2.031 0.996) 2.963 5.139 ( -1.592 2.983 -4.800) 5.872 5.194 ( 2.597 0.002 -0.275) 2.612 5.213 ( -0.800 3.153 -2.974) 4.407 5.346 ( 1.066 2.450 2.968) 3.993 5.404 ( -2.265 -1.742 -1.764) 3.358 5.486 ( -0.880 -0.456 2.171) 2.386 5.515 ( 2.140 0.005 -0.239) 2.153 5.647 ( -0.802 -3.648 -0.681) 3.797 5.658 ( 1.012 -2.901 -1.851) 3.587 5.832 ( 3.960 -1.590 5.575) 7.021 5.898 ( 0.642 -2.997 4.262) 5.250 5.948 ( -3.921 -6.011 -4.321) 8.377 5.979 ( -2.010 -1.572 -1.546) 2.984 6.073 ( -2.178 2.491 4.267) 5.400 6.186 ( 0.593 2.232 -3.622) 4.296 6.304 ( -2.162 -2.960 4.029) 5.447 6.343 ( 3.107 -2.846 -0.767) 4.283 6.531 ( -0.921 0.183 0.991) 1.366 6.548 ( 2.692 1.390 -0.847) 3.146 6.586 ( -3.159 -6.111 2.424) 7.294 6.624 ( 4.611 -4.606 -1.046) 6.601 6.794 ( -2.540 2.451 1.103) 3.698 6.822 ( 2.602 1.957 -1.406) 3.546 7.103 ( -3.441 -11.551 4.919) 13.018 7.187 ( 3.000 -18.913 -2.662) 19.334 8.183 ( -0.828 3.189 2.166) 3.943 8.231 ( 0.667 1.585 -2.574) 3.096 8.388 ( -1.841 -5.487 1.026) 5.878 8.401 ( 1.675 -6.206 -0.229) 6.432 8.608 ( 6.171 3.671 1.264) 7.291 8.641 ( -5.897 2.011 -2.036) 6.555 8.761 ( -3.404 -2.393 1.535) 4.435 8.789 ( 2.813 -3.026 -1.363) 4.351 8.914 ( -1.242 1.560 0.705) 2.115 8.932 ( 0.064 1.589 -1.105) 1.937 9.017 ( -2.232 -0.106 0.166) 2.240 9.033 ( 2.812 -0.440 -1.435) 3.188 9.103 ( -1.304 0.873 2.104) 2.625 9.157 ( 0.935 2.771 -2.899) 4.118 9.232 ( -0.742 -2.965 3.517) 4.659 9.305 ( 0.951 -3.081 -3.488) 4.750 9.781 ( -2.075 0.150 4.750) 5.186 9.845 ( 2.493 -2.840 -1.144) 3.949 10.019 ( 1.430 1.530 0.759) 2.228 10.072 ( -0.729 -0.703 -4.334) 4.451 10.148 ( -2.083 5.139 1.516) 5.749 10.186 ( 1.508 4.186 -2.416) 5.063 10.360 ( 0.966 -3.442 -0.141) 3.578 10.365 ( -1.026 -3.784 -0.550) 3.959 10.571 ( -0.584 3.016 1.809) 3.565 10.609 ( -0.018 3.393 -1.987) 3.932 10.738 ( -0.178 -3.231 1.805) 3.705 10.776 ( -0.312 -2.969 -1.864) 3.520 11.132 ( 1.404 3.521 0.190) 3.796 11.137 ( -1.055 4.225 -0.361) 4.370 11.351 ( 1.400 -5.102 1.047) 5.393 11.373 ( -1.275 -4.768 -1.187) 5.077 11.936 ( -2.746 1.304 1.983) 3.629 11.972 ( 3.102 0.858 -1.500) 3.551 12.041 ( -2.311 -1.821 1.728) 3.412 12.077 ( 0.790 -1.975 -1.649) 2.692 12.155 ( -0.002 3.665 0.601) 3.714 12.174 ( -1.061 4.565 -1.036) 4.800 12.246 ( 0.335 3.045 2.507) 3.959 12.297 ( 1.460 2.428 -2.268) 3.629 12.581 ( -0.333 6.388 1.274) 6.523 12.616 ( 0.293 6.264 -2.195) 6.644 12.792 ( -0.835 -3.216 1.214) 3.537 12.811 ( 0.959 -3.388 -0.655) 3.582 13.217 ( -0.409 0.761 0.572) 1.037 13.230 ( 0.653 -0.383 -0.713) 1.040 13.271 ( 0.072 -0.937 0.658) 1.148 13.281 ( -0.588 -1.212 -0.316) 1.384 14.170 ( 1.809 11.105 0.904) 11.288 14.190 ( -1.697 7.389 -1.023) 7.650 14.235 ( -3.668 1.002 0.762) 3.878 14.257 ( 3.459 1.504 -1.297) 3.989 14.415 ( 0.011 2.680 0.150) 2.684 14.435 ( -1.742 6.348 -2.258) 6.959 14.595 ( 0.172 1.406 2.122) 2.551 14.631 ( 2.043 0.600 -1.290) 2.489 14.712 ( -1.892 0.427 0.508) 2.006 14.738 ( 3.939 2.869 -2.751) 5.596 14.915 ( 0.258 -4.914 1.394) 5.114 14.951 ( 0.143 -2.742 -2.212) 3.526 15.121 ( -2.557 10.835 3.159) 11.572 15.203 ( 2.663 16.221 -5.502) 17.335 15.585 ( 1.182 -0.587 1.588) 2.065 15.609 ( -1.969 0.053 -1.011) 2.214 15.682 ( 0.419 -0.605 0.482) 0.880 15.685 ( -0.428 -0.034 0.201) 0.475 15.808 ( 0.501 -6.435 5.384) 8.406 15.939 ( 0.683 -6.668 -7.098) 9.763 16.285 ( 0.786 0.385 0.594) 1.057 16.291 ( -2.050 -0.039 -0.210) 2.061 16.323 ( 0.179 -0.515 1.632) 1.721 16.359 ( -0.967 -1.706 -1.488) 2.462 17.134 ( -0.335 1.024 0.144) 1.087 17.138 ( 0.563 0.845 -0.243) 1.044 17.193 ( -0.711 -0.117 1.135) 1.345 17.207 ( 0.813 -0.672 -0.293) 1.095 19.598 ( -0.976 -0.046 0.573) 1.133 19.622 ( 0.900 -0.303 -2.065) 2.273 19.829 ( 0.411 -3.342 0.749) 3.450 19.835 ( -0.722 -3.502 0.255) 3.585 20.596 ( -2.000 0.591 1.031) 2.326 20.608 ( 1.639 0.131 -0.038) 1.645 20.784 ( -1.323 0.096 0.225) 1.346 20.797 ( 1.616 -0.295 -0.979) 1.912 21.597 ( 0.714 0.913 1.608) 1.983 21.629 ( 0.939 -0.255 -1.486) 1.776 21.746 ( -1.234 -1.065 0.608) 1.740 21.752 ( 0.068 -0.927 -0.081) 0.933 22.897 ( -1.686 -2.233 -0.624) 2.866 22.906 ( 1.771 -1.977 -1.718) 3.161 23.206 ( 0.056 -0.537 0.726) 0.905 23.208 ( -1.160 -0.532 0.599) 1.409 26.535 ( 0.323 0.140 -0.225) 0.418 26.537 ( -0.459 0.125 -0.411) 0.628 26.602 ( 1.008 0.238 0.288) 1.075 26.603 ( -0.514 0.134 0.182) 0.561 29.422 ( -0.433 1.211 1.713) 2.142 29.451 ( -1.464 1.079 -0.723) 1.957 29.525 ( 4.873 -0.330 3.255) 5.869 29.602 ( -0.751 -2.684 -3.876) 4.774 29.747 ( -1.964 16.515 7.506) 18.247 29.959 ( -0.627 23.569 -13.729) 27.283 30.410 ( 0.430 -2.082 8.800) 9.053 30.537 ( -1.546 -1.326 -2.165) 2.972 30.580 ( 0.590 0.584 0.402) 0.922 30.590 ( -0.067 0.607 -1.356) 1.488 30.775 ( -0.942 -0.931 2.948) 3.232 30.878 ( 1.189 -3.508 -5.914) 6.979 31.540 ( -1.882 5.799 1.505) 6.279 31.602 ( 1.220 12.318 -5.785) 13.663 31.868 ( 0.359 -5.845 11.320) 12.745 32.088 ( -0.742 0.142 -1.231) 1.444 32.095 ( 2.621 0.763 -0.802) 2.846 32.136 ( 8.895 -0.696 -3.667) 9.646 32.157 ( -1.553 -1.972 2.412) 3.481 32.256 ( 4.345 -1.611 -1.394) 4.839 32.277 ( -8.488 -2.981 -4.494) 10.056 32.281 ( -8.723 0.070 -1.381) 8.832 32.380 ( 5.648 0.979 -0.064) 5.732 32.512 ( -1.573 -6.676 -23.581) 24.558 33.437 ( -0.060 0.105 1.751) 1.755 33.447 ( -0.433 -0.027 0.293) 0.524 33.718 ( 0.129 0.278 -1.979) 2.002 33.761 ( -0.049 -1.394 -5.169) 5.354 34.842 ( -2.695 0.942 1.925) 3.443 34.862 ( 3.124 0.289 -0.000) 3.137 34.916 ( 3.518 0.147 2.441) 4.285 34.932 ( -2.080 -0.317 1.098) 2.373 35.292 ( -1.243 2.298 0.166) 2.618 35.310 ( 1.879 1.790 -1.456) 2.975 35.401 ( 1.172 -1.581 0.159) 1.974 35.407 ( -0.316 -1.972 -0.619) 2.091 35.622 ( -0.014 0.501 8.683) 8.698 35.688 ( 0.472 -2.811 7.507) 8.030 35.805 ( 0.302 0.962 -7.051) 7.122 35.862 ( -0.100 -1.828 -7.208) 7.437 37.042 ( -1.325 14.120 29.632) 32.851 37.484 ( 0.136 4.944 -13.693) 14.559 38.183 ( -2.100 -17.782 8.834) 19.966 38.339 ( 1.207 -13.057 -6.597) 14.678 ======================= Grid point 94 (49/63) ======================= q-point: ( 0.12 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 16.619 2.408 5.232) 17.588 1.366 ( 17.886 7.382 -5.093) 20.008 1.600 ( 4.877 15.809 -8.533) 18.615 1.635 ( 6.091 6.324 3.837) 9.582 1.789 ( -2.263 -4.379 7.522) 8.993 1.901 ( 1.187 -6.786 -8.888) 11.246 2.071 ( -1.373 0.353 -8.575) 8.692 2.226 ( 3.224 -12.044 5.365) 13.573 2.374 ( -2.919 -0.301 1.037) 3.113 2.394 ( 0.537 -9.605 2.793) 10.017 2.486 ( -1.161 3.197 -2.455) 4.195 2.525 ( -1.838 -4.366 -2.197) 5.222 2.599 ( 0.490 -0.368 5.655) 5.688 2.675 ( -0.272 -6.810 -4.500) 8.167 2.771 ( 1.468 -0.057 2.806) 3.167 2.818 ( 0.480 3.607 2.780) 4.579 2.846 ( 0.933 1.387 -4.299) 4.612 2.881 ( 7.598 6.796 8.836) 13.491 2.964 ( -1.996 3.382 -9.082) 9.895 2.987 ( 6.300 -2.421 9.053) 11.292 3.013 ( 0.918 -0.282 -2.299) 2.491 3.115 ( 3.199 -0.470 -2.326) 3.983 3.145 ( 1.417 3.464 -4.896) 6.162 3.231 ( 5.177 2.341 4.427) 7.203 3.358 ( 1.221 3.356 1.274) 3.791 3.412 ( 2.094 4.060 -1.057) 4.689 3.456 ( 8.243 -0.884 2.845) 8.765 3.534 ( 4.502 -0.262 2.156) 4.998 3.640 ( 2.898 2.908 -4.883) 6.380 3.665 ( -3.888 2.702 4.005) 6.201 3.778 ( 0.891 5.933 -0.778) 6.049 3.815 ( 2.627 0.138 1.554) 3.056 3.907 ( -3.003 2.586 6.603) 7.701 4.005 ( -3.018 -2.141 -2.921) 4.714 4.065 ( 4.814 -8.438 2.576) 10.050 4.110 ( -0.166 -1.362 -0.186) 1.384 4.179 ( -1.122 0.128 -3.635) 3.807 4.188 ( 1.271 -1.224 -0.706) 1.900 4.269 ( 0.996 1.476 0.488) 1.847 4.389 ( 5.526 -0.566 -8.525) 10.176 4.414 ( -3.777 0.063 -2.790) 4.696 4.513 ( 1.160 1.186 1.170) 2.030 4.566 ( -1.136 5.940 2.210) 6.439 4.636 ( 1.826 2.781 3.109) 4.553 4.698 ( -3.444 0.905 0.047) 3.561 4.760 ( 1.950 2.806 -1.535) 3.745 4.801 ( 0.330 -2.335 2.941) 3.769 4.886 ( -0.412 -1.803 3.989) 4.396 4.975 ( -3.702 4.218 -0.636) 5.649 5.009 ( -2.290 3.553 -1.826) 4.605 5.086 ( -0.871 2.711 0.319) 2.865 5.138 ( -2.122 -0.818 -1.171) 2.558 5.220 ( 4.839 0.008 -0.471) 4.862 5.281 ( 5.534 0.504 -1.006) 5.647 5.323 ( -1.518 1.867 -0.408) 2.441 5.385 ( -1.726 -1.565 2.819) 3.657 5.462 ( -2.494 0.785 -0.963) 2.787 5.532 ( 0.185 -0.892 -1.305) 1.592 5.579 ( -5.185 -4.197 0.278) 6.677 5.687 ( 0.732 -3.044 -1.858) 3.640 5.820 ( 0.029 -2.294 -2.711) 3.552 5.868 ( -3.288 -4.119 -2.042) 5.652 5.973 ( 1.693 -0.873 4.650) 5.025 6.015 ( 3.503 -0.876 1.251) 3.821 6.105 ( -1.021 0.348 5.505) 5.610 6.150 ( -0.478 0.946 -1.478) 1.818 6.247 ( -5.852 -2.034 -0.814) 6.249 6.303 ( -4.452 -3.679 -2.614) 6.340 6.502 ( -5.167 -4.224 0.704) 6.711 6.534 ( -0.713 -2.773 0.668) 2.940 6.611 ( 4.364 2.047 -2.325) 5.352 6.659 ( 2.675 -1.593 -2.768) 4.166 6.746 ( -3.848 1.665 0.988) 4.308 6.825 ( -0.765 3.547 -0.770) 3.709 7.009 ( -11.106 -11.967 0.956) 16.354 7.151 ( -2.907 -10.676 -1.607) 11.181 8.023 ( -15.212 3.131 -0.484) 15.539 8.062 ( -15.407 4.312 0.493) 16.007 8.210 ( -16.304 -4.215 0.732) 16.856 8.306 ( -10.158 -7.755 -0.467) 12.788 8.605 ( 2.599 4.024 -2.000) 5.192 8.772 ( 6.432 -1.162 0.548) 6.559 8.798 ( 3.547 0.702 2.490) 4.391 8.886 ( 0.382 -0.338 0.169) 0.537 8.919 ( 7.272 -0.732 1.386) 7.439 8.940 ( 1.111 -0.135 0.133) 1.127 9.012 ( 1.779 -0.335 0.090) 1.812 9.074 ( 2.597 -1.995 -0.916) 3.400 9.137 ( 1.853 2.606 2.147) 3.852 9.164 ( 3.186 1.137 -1.565) 3.727 9.262 ( -0.337 -2.775 2.734) 3.910 9.278 ( 1.133 -2.769 -2.945) 4.198 9.774 ( -3.004 0.221 1.129) 3.216 9.842 ( -1.264 -2.357 -2.573) 3.711 9.957 ( -5.517 1.102 -2.530) 6.168 10.012 ( -6.723 -0.190 0.827) 6.776 10.070 ( -8.163 3.805 2.248) 9.282 10.117 ( -5.383 4.649 -0.140) 7.114 10.290 ( -5.535 -3.783 0.659) 6.737 10.297 ( -7.189 -3.850 -0.134) 8.156 10.553 ( -4.083 3.026 0.542) 5.111 10.588 ( -0.600 3.299 0.089) 3.354 10.713 ( -3.151 -2.691 0.072) 4.145 10.759 ( -1.396 -2.790 0.544) 3.166 11.223 ( 10.349 1.930 -0.356) 10.534 11.268 ( 11.708 1.825 0.190) 11.851 11.377 ( 3.505 -3.833 -1.053) 5.299 11.425 ( 5.522 -3.185 1.059) 6.462 11.936 ( 0.550 2.446 1.694) 3.025 11.989 ( 0.234 1.603 -1.358) 2.114 12.065 ( 1.959 -1.903 0.685) 2.816 12.081 ( 0.241 -2.671 0.607) 2.749 12.116 ( -3.987 4.461 0.567) 6.010 12.153 ( -1.729 2.759 0.330) 3.273 12.235 ( -2.693 1.974 -0.452) 3.369 12.252 ( -1.134 0.911 -2.000) 2.473 12.612 ( 2.139 4.716 0.707) 5.226 12.624 ( 2.771 5.703 -0.257) 6.346 12.795 ( 0.500 -3.037 0.452) 3.111 12.825 ( 0.826 -2.719 -0.695) 2.925 13.240 ( 2.392 2.122 0.538) 3.242 13.261 ( 3.626 1.614 -0.737) 4.037 13.404 ( 12.534 -5.282 0.711) 13.620 13.425 ( 13.230 -5.234 0.207) 14.229 14.060 ( -9.240 9.236 -0.180) 13.066 14.096 ( -8.921 8.893 0.235) 12.599 14.183 ( -3.377 -0.767 0.691) 3.531 14.264 ( -6.702 -1.974 -0.375) 6.997 14.348 ( 3.883 8.586 -1.820) 9.598 14.419 ( -0.448 9.190 3.681) 9.910 14.653 ( 3.786 -0.800 -0.963) 3.988 14.708 ( 0.977 -0.636 -0.971) 1.517 14.803 ( 8.333 4.959 1.661) 9.838 14.861 ( 14.601 5.283 -4.642) 16.206 15.034 ( 12.010 -2.564 0.859) 12.311 15.045 ( 10.694 -5.036 -0.107) 11.821 15.193 ( 6.755 9.065 1.794) 11.446 15.284 ( 9.296 6.491 -1.800) 11.480 15.536 ( -4.343 -2.026 0.208) 4.797 15.569 ( -8.322 -0.485 -0.278) 8.341 15.624 ( -1.132 -0.205 -0.917) 1.471 15.682 ( 1.530 1.817 1.592) 2.860 15.815 ( -1.489 -8.407 -3.017) 9.056 15.884 ( -1.898 -5.204 1.951) 5.872 16.310 ( 3.365 0.135 -0.405) 3.392 16.342 ( 3.749 -1.537 -0.760) 4.122 16.390 ( 3.918 0.697 1.973) 4.441 16.419 ( 6.900 0.236 1.923) 7.167 17.127 ( -0.380 0.955 0.027) 1.028 17.142 ( 0.382 0.588 -0.307) 0.765 17.192 ( -0.362 -0.054 0.525) 0.640 17.213 ( 0.682 -0.641 -0.942) 1.328 19.618 ( 2.097 -0.250 1.710) 2.717 19.635 ( 2.473 -1.159 -1.463) 3.098 19.839 ( 1.874 -2.020 0.189) 2.762 19.853 ( 1.749 -2.451 0.410) 3.039 20.528 ( -6.798 1.439 0.855) 7.001 20.583 ( -4.417 -0.841 -0.295) 4.506 20.731 ( -4.818 1.113 0.249) 4.951 20.780 ( -2.447 -1.018 -0.623) 2.723 21.666 ( 6.157 0.574 -1.641) 6.398 21.674 ( 6.406 0.583 -1.116) 6.529 21.792 ( 5.474 -0.765 1.261) 5.669 21.809 ( 5.818 -0.755 0.566) 5.894 22.827 ( -5.926 -0.404 0.200) 5.944 22.893 ( -2.333 -3.636 0.052) 4.321 23.124 ( -8.879 -0.193 0.513) 8.896 23.151 ( -6.967 -1.470 0.599) 7.146 26.643 ( 12.144 0.690 0.134) 12.164 26.663 ( 13.133 1.085 0.604) 13.191 26.760 ( 18.047 -1.862 -2.336) 18.293 26.797 ( 20.275 -2.149 2.256) 20.512 29.140 ( -22.570 6.315 0.334) 23.439 29.227 ( -22.496 7.484 -0.794) 23.722 29.394 ( -15.034 -4.647 -0.310) 15.739 29.423 ( -14.785 -2.951 -0.504) 15.085 30.012 ( 17.322 13.320 -1.437) 21.898 30.117 ( 17.273 15.532 4.254) 23.615 30.494 ( 3.247 -3.133 -4.389) 6.295 30.567 ( 4.938 -1.693 4.253) 6.733 30.606 ( 3.044 0.879 -0.385) 3.192 30.634 ( 5.767 1.278 0.373) 5.919 30.842 ( 4.080 -3.473 1.890) 5.681 30.906 ( 7.487 -2.713 -1.487) 8.101 31.526 ( -3.293 7.365 1.842) 8.275 31.606 ( 1.355 7.704 -0.087) 7.822 31.877 ( -10.133 -3.148 3.883) 11.299 31.914 ( -11.322 -3.545 -8.625) 14.668 31.953 ( -5.728 0.298 -2.707) 6.342 32.032 ( -6.732 0.898 -2.424) 7.211 32.127 ( -2.610 -3.479 -1.884) 4.739 32.180 ( 2.722 -7.159 8.727) 11.611 32.440 ( 13.515 0.030 5.046) 14.427 32.458 ( 13.639 -0.124 3.110) 13.990 32.547 ( 14.356 0.717 -2.706) 14.627 32.586 ( 13.948 -1.004 1.893) 14.112 33.422 ( -2.667 0.363 -0.308) 2.709 33.433 ( -2.114 -0.099 0.350) 2.146 33.684 ( -3.590 -0.386 -1.355) 3.857 33.699 ( -3.382 -0.941 2.990) 4.612 34.787 ( -4.118 1.450 -0.048) 4.366 34.848 ( -3.393 -1.245 -1.847) 4.059 34.931 ( 2.741 1.651 -1.625) 3.589 34.990 ( 2.929 -0.935 -0.393) 3.100 35.288 ( 0.451 3.049 0.408) 3.109 35.345 ( 3.689 1.403 -1.114) 4.101 35.419 ( 2.587 -2.118 -0.995) 3.489 35.444 ( 3.784 -1.840 -0.303) 4.219 35.713 ( 2.543 -0.740 -8.127) 8.547 35.725 ( 1.598 -1.433 0.142) 2.151 35.782 ( 0.852 0.224 0.632) 1.084 35.814 ( 0.902 -0.929 5.554) 5.703 37.216 ( -4.170 11.383 -22.004) 25.123 37.291 ( -6.133 9.342 20.473) 23.324 38.119 ( -15.950 -13.267 5.727) 21.523 38.135 ( -14.200 -14.049 -5.346) 20.678 ======================= Grid point 95 (50/63) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 8.992 5.148 -16.605) 19.572 1.548 ( 11.452 10.066 -12.621) 19.793 1.719 ( 1.628 -10.984 -3.021) 11.508 1.766 ( 16.636 -5.394 5.757) 18.412 1.864 ( 7.116 -2.271 3.192) 8.123 1.981 ( 14.084 4.050 -0.687) 14.671 2.141 ( 5.287 3.443 3.006) 6.989 2.233 ( -0.822 -5.008 -7.568) 9.113 2.304 ( 2.685 -2.153 -3.543) 4.940 2.354 ( 0.514 -6.273 -4.969) 8.019 2.468 ( 0.969 1.800 1.673) 2.642 2.496 ( 0.114 -1.667 -9.784) 9.926 2.657 ( 1.381 -2.328 4.059) 4.879 2.679 ( 2.390 1.450 1.617) 3.229 2.769 ( -6.354 3.399 2.365) 7.584 2.821 ( 0.172 2.035 -1.980) 2.845 2.846 ( 4.529 3.825 -1.788) 6.192 2.904 ( 0.848 -0.922 3.353) 3.579 2.933 ( -0.581 0.427 -4.229) 4.290 3.022 ( 0.519 0.105 3.255) 3.298 3.059 ( 4.698 2.433 -4.256) 6.790 3.198 ( 0.881 -3.270 0.558) 3.433 3.296 ( 6.387 2.702 1.872) 7.183 3.371 ( 9.325 -0.633 1.768) 9.512 3.414 ( 0.265 4.401 -1.977) 4.832 3.483 ( 3.601 5.495 1.906) 6.841 3.529 ( -2.857 1.228 -2.657) 4.091 3.605 ( 6.032 2.726 8.165) 10.511 3.681 ( 7.002 4.128 -4.797) 9.439 3.758 ( 3.789 2.015 6.595) 7.869 3.832 ( 1.470 6.045 3.173) 6.984 3.850 ( 0.661 3.024 -2.290) 3.851 3.912 ( 1.562 -2.829 -6.483) 7.244 3.914 ( 0.447 -2.568 5.612) 6.188 4.051 ( -2.720 0.111 -0.440) 2.758 4.161 ( -2.308 -2.264 -0.541) 3.278 4.199 ( 0.939 -7.212 5.405) 9.062 4.233 ( 3.025 -2.755 -1.271) 4.284 4.276 ( -1.626 1.916 -2.689) 3.681 4.311 ( 0.853 -1.260 -4.799) 5.034 4.368 ( 2.134 0.315 -1.435) 2.591 4.551 ( 0.343 0.810 5.772) 5.838 4.584 ( 0.308 0.293 1.918) 1.965 4.666 ( 2.084 -0.179 -2.452) 3.223 4.742 ( -1.065 2.372 0.401) 2.631 4.772 ( -0.481 -0.560 2.575) 2.678 4.867 ( -2.664 1.529 0.515) 3.115 4.902 ( 0.263 1.680 5.772) 6.018 4.945 ( -0.223 1.417 -0.108) 1.438 4.964 ( 0.710 0.850 2.203) 2.465 5.059 ( -4.232 5.585 1.835) 7.243 5.121 ( 2.466 0.377 1.508) 2.915 5.195 ( -2.435 -1.452 -0.299) 2.851 5.311 ( 1.715 1.154 -0.390) 2.104 5.350 ( -5.755 1.614 1.281) 6.113 5.364 ( -2.463 -3.787 1.379) 4.723 5.427 ( 1.215 -0.147 -0.317) 1.264 5.505 ( -1.466 -5.906 1.357) 6.235 5.519 ( 0.684 -0.865 -2.040) 2.319 5.611 ( -4.826 -3.827 -0.900) 6.224 5.837 ( 3.543 -3.851 -3.064) 6.064 5.855 ( 1.390 -3.751 -0.271) 4.010 5.968 ( -2.080 0.515 -0.719) 2.260 6.075 ( -0.695 0.443 -0.238) 0.858 6.106 ( -1.015 2.023 -0.685) 2.365 6.127 ( -6.914 -3.040 0.192) 7.555 6.149 ( 0.716 0.379 -1.994) 2.152 6.216 ( -0.332 -0.983 0.162) 1.050 6.480 ( 1.271 -0.180 2.952) 3.219 6.551 ( 1.111 -1.648 0.640) 2.088 6.595 ( -1.893 1.788 -2.059) 3.319 6.667 ( -0.615 0.067 -3.056) 3.118 6.729 ( 1.663 1.420 0.134) 2.191 6.780 ( -3.621 3.150 0.243) 4.806 6.839 ( -2.135 -4.047 -1.776) 4.908 7.070 ( -4.069 -6.617 -1.215) 7.862 7.723 ( -17.870 3.656 0.505) 18.247 7.803 ( -15.109 4.635 0.384) 15.809 7.914 ( -18.547 -4.311 1.511) 19.101 8.100 ( -12.082 -8.818 -0.862) 14.982 8.641 ( 3.212 4.190 -0.952) 5.364 8.786 ( -1.293 0.190 -0.537) 1.413 8.867 ( -2.159 0.527 1.926) 2.941 8.875 ( -0.834 -0.389 1.609) 1.854 9.001 ( 3.583 -0.061 1.222) 3.786 9.028 ( 1.174 -0.674 -1.701) 2.174 9.064 ( 4.803 -1.701 0.300) 5.104 9.101 ( 1.491 -1.800 0.248) 2.351 9.209 ( 4.155 1.403 0.311) 4.397 9.231 ( 5.295 -0.009 0.080) 5.296 9.289 ( 3.248 -2.140 0.159) 3.893 9.300 ( 2.898 -2.424 0.758) 3.853 9.692 ( -6.903 -0.248 -0.961) 6.974 9.726 ( -9.061 -1.007 -0.865) 9.158 9.823 ( -10.834 -0.010 -0.755) 10.860 9.846 ( -6.512 0.394 -1.669) 6.734 9.916 ( -5.787 3.934 -2.845) 7.554 10.078 ( -5.767 2.364 4.056) 7.436 10.133 ( -6.762 -1.219 -1.237) 6.981 10.255 ( -3.004 -4.523 2.383) 5.929 10.486 ( -3.833 2.904 1.098) 4.932 10.568 ( -1.485 2.041 -0.191) 2.531 10.658 ( -3.379 -2.723 0.442) 4.362 10.708 ( -4.085 -1.814 -0.499) 4.498 11.423 ( 11.512 -0.858 0.118) 11.544 11.451 ( 6.644 -2.724 0.102) 7.182 11.480 ( 9.978 1.382 -0.283) 10.078 11.547 ( 6.594 -0.532 0.419) 6.629 11.956 ( -2.460 1.939 -0.853) 3.246 11.980 ( 2.087 3.221 0.350) 3.853 12.018 ( -3.176 0.753 -0.637) 3.325 12.067 ( -2.585 2.045 -0.839) 3.401 12.100 ( 0.133 -0.665 1.483) 1.631 12.188 ( 3.856 -2.554 1.225) 4.784 12.192 ( 0.064 -0.900 -1.829) 2.040 12.234 ( -0.454 -1.007 0.617) 1.265 12.659 ( 2.625 3.025 -0.461) 4.031 12.682 ( 2.525 3.535 0.854) 4.428 12.809 ( 0.301 -1.443 -0.330) 1.511 12.818 ( -0.621 -3.280 -0.288) 3.351 13.306 ( 4.302 5.194 0.430) 6.758 13.326 ( 4.630 4.995 -0.700) 6.847 13.595 ( 6.986 -7.452 -0.549) 10.230 13.612 ( 3.402 -8.663 1.286) 9.396 13.948 ( -1.335 9.845 -0.023) 9.935 14.017 ( 1.253 5.004 1.335) 5.328 14.143 ( -1.010 -2.385 -1.495) 2.990 14.163 ( -2.160 -2.158 0.777) 3.150 14.364 ( 1.132 10.342 -1.837) 10.565 14.466 ( -2.222 12.372 2.762) 12.870 14.642 ( -4.540 0.862 -1.143) 4.760 14.698 ( -0.711 -1.213 -0.092) 1.408 14.970 ( 6.337 5.143 2.789) 8.624 15.027 ( 8.160 2.635 -2.740) 9.002 15.225 ( 9.125 -2.884 -0.392) 9.578 15.273 ( 10.750 -3.691 0.562) 11.379 15.337 ( 5.949 1.208 -0.760) 6.118 15.342 ( -2.973 0.218 1.071) 3.167 15.452 ( -1.281 -3.563 1.094) 3.941 15.466 ( -2.633 -3.737 -0.832) 4.646 15.688 ( 10.501 -0.081 -0.725) 10.527 15.734 ( 4.116 -3.069 -3.365) 6.139 15.848 ( 7.253 1.447 3.851) 8.339 15.899 ( -0.143 -1.508 3.099) 3.450 16.355 ( 2.402 -0.092 -0.690) 2.501 16.380 ( 0.734 -1.326 -0.158) 1.524 16.459 ( 1.199 2.906 1.298) 3.401 16.550 ( 1.097 -0.972 4.127) 4.380 17.130 ( 0.780 0.843 0.136) 1.156 17.155 ( 1.724 0.022 -0.030) 1.724 17.198 ( 0.490 -0.194 0.233) 0.576 17.209 ( 0.564 -0.319 -1.218) 1.380 19.675 ( 4.855 -0.276 -0.934) 4.952 19.715 ( 5.567 -1.424 2.783) 6.384 19.912 ( 5.280 -0.296 0.330) 5.299 19.936 ( 7.150 -0.964 1.775) 7.430 20.401 ( -9.078 1.452 1.191) 9.270 20.457 ( -8.879 -0.805 -0.878) 8.959 20.638 ( -6.389 1.258 0.814) 6.562 20.703 ( -5.682 -1.432 -0.314) 5.868 21.786 ( 10.315 1.408 -1.704) 10.549 21.800 ( 9.959 1.494 -0.973) 10.118 21.941 ( 9.602 -0.825 0.473) 9.649 21.950 ( 9.133 -0.786 0.536) 9.182 22.704 ( -8.568 0.715 0.636) 8.621 22.822 ( -6.613 -4.572 0.541) 8.058 22.941 ( -11.729 -0.043 -0.072) 11.729 22.995 ( -10.528 -1.922 -0.570) 10.718 26.911 ( 18.490 2.202 -1.074) 18.652 26.977 ( 20.410 3.976 2.415) 20.933 27.074 ( 23.103 -2.627 -4.748) 23.732 27.345 ( 27.707 -11.801 12.681) 32.676 28.751 ( -22.824 7.090 1.040) 23.922 28.807 ( -24.544 8.091 -0.618) 25.851 29.055 ( -22.503 -4.802 -1.366) 23.050 29.098 ( -20.438 -6.365 -0.038) 21.406 30.270 ( 15.012 7.284 -1.814) 16.784 30.431 ( 11.076 10.903 4.182) 16.095 30.543 ( 7.732 -3.828 -3.251) 9.220 30.638 ( 3.618 -1.085 -1.384) 4.022 30.708 ( 6.579 3.955 1.364) 7.797 30.798 ( 8.906 5.950 1.945) 10.886 30.957 ( 8.343 -6.229 1.352) 10.499 31.056 ( 5.506 -4.027 4.375) 8.104 31.430 ( -9.395 5.205 0.833) 10.773 31.539 ( -10.777 4.880 2.209) 12.035 31.665 ( -8.828 -2.652 -2.502) 9.552 31.764 ( -9.806 -1.930 4.137) 10.816 31.946 ( 2.472 4.352 0.155) 5.008 31.963 ( 4.050 6.897 2.294) 8.321 32.122 ( 3.383 -3.230 1.526) 4.919 32.385 ( 4.868 -7.489 10.658) 13.906 32.693 ( 11.995 1.865 1.051) 12.185 32.748 ( 10.812 -0.318 6.696) 12.722 32.786 ( 14.978 -0.022 -0.349) 14.982 32.851 ( 8.883 -2.739 5.419) 10.760 33.339 ( -4.681 0.955 -2.346) 5.322 33.392 ( -3.597 -1.195 1.851) 4.218 33.610 ( -6.506 0.675 2.872) 7.144 33.659 ( -7.039 -1.334 4.317) 8.364 34.719 ( -2.568 1.189 -0.588) 2.890 34.765 ( -2.054 -0.797 -2.370) 3.236 34.945 ( 2.223 1.352 -3.258) 4.170 35.010 ( 2.200 -1.340 -3.376) 4.246 35.319 ( 1.455 3.396 1.982) 4.192 35.397 ( 3.654 1.678 -1.124) 4.174 35.459 ( 3.410 -2.383 -1.506) 4.424 35.513 ( 4.142 -1.761 -0.069) 4.502 35.657 ( 1.673 -1.925 -7.062) 7.509 35.680 ( 5.692 -1.094 -10.621) 12.100 35.884 ( 1.176 0.041 5.336) 5.464 35.889 ( 0.123 -0.074 2.959) 2.963 36.877 ( -0.340 11.362 -21.885) 24.661 37.318 ( -10.232 -0.916 5.732) 11.764 37.681 ( -17.141 -5.077 -11.974) 21.517 37.925 ( -20.596 -8.417 9.489) 24.189 ======================= Grid point 96 (51/63) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 12.735 3.099 -2.739) 13.389 1.649 ( 12.368 4.791 -3.178) 13.639 1.752 ( 6.563 -3.328 -1.625) 7.536 1.948 ( 3.188 -0.040 -0.247) 3.197 2.018 ( -4.486 -3.434 -2.434) 6.152 2.032 ( 3.450 -1.639 -8.893) 9.679 2.108 ( -1.999 -4.726 -15.633) 16.454 2.173 ( 8.828 -3.653 -1.621) 9.691 2.287 ( 0.330 1.511 -2.322) 2.790 2.416 ( 8.391 -1.382 1.723) 8.677 2.515 ( 7.219 -0.449 -4.938) 8.758 2.566 ( 4.084 4.594 2.861) 6.780 2.621 ( -6.226 -1.687 2.652) 6.974 2.698 ( -4.354 2.383 0.420) 4.981 2.745 ( -1.156 0.597 -3.035) 3.302 2.803 ( 2.047 4.101 -0.278) 4.592 2.830 ( -1.297 1.214 1.527) 2.343 2.944 ( -0.958 1.077 -2.780) 3.132 2.961 ( -3.380 -1.386 4.505) 5.800 3.068 ( 6.508 -2.061 -2.375) 7.228 3.131 ( 6.711 0.539 -1.786) 6.966 3.235 ( 1.270 -6.810 5.530) 8.864 3.336 ( 5.281 5.367 -2.524) 7.941 3.395 ( 2.774 2.726 -0.185) 3.894 3.467 ( 1.476 0.855 -0.052) 1.706 3.538 ( 5.128 3.948 -1.753) 6.705 3.603 ( 4.765 -3.292 2.651) 6.369 3.697 ( -4.856 -1.091 -7.340) 8.868 3.726 ( 2.401 0.800 -4.127) 4.842 3.740 ( 2.248 1.598 -1.015) 2.940 3.825 ( -1.034 6.277 -2.911) 6.996 3.863 ( -4.993 3.218 1.830) 6.216 3.922 ( 2.966 1.403 2.015) 3.850 4.015 ( 2.415 -3.117 1.810) 4.339 4.067 ( 0.733 3.034 5.168) 6.038 4.146 ( 2.002 4.644 -0.353) 5.069 4.164 ( -1.273 -3.229 0.415) 3.495 4.230 ( -2.662 1.111 1.868) 3.437 4.279 ( 2.736 2.146 1.072) 3.639 4.368 ( 3.503 -1.841 -1.922) 4.400 4.399 ( 2.745 -2.158 2.386) 4.229 4.531 ( -4.280 -2.300 -2.803) 5.610 4.592 ( -4.375 -2.003 -1.371) 5.003 4.652 ( -2.076 -2.492 -1.938) 3.778 4.672 ( -2.906 2.188 -1.488) 3.931 4.742 ( 2.012 3.608 2.554) 4.856 4.864 ( -1.218 -2.156 1.509) 2.900 4.907 ( -3.743 3.241 1.786) 5.263 4.973 ( -2.958 2.419 3.548) 5.215 5.003 ( 1.297 1.863 1.189) 2.563 5.112 ( -0.043 -0.861 0.103) 0.869 5.145 ( 5.562 1.099 4.731) 7.384 5.235 ( -0.454 2.436 2.857) 3.781 5.316 ( 0.294 -2.147 -1.307) 2.531 5.348 ( -0.775 -0.091 5.219) 5.277 5.384 ( 4.086 0.515 0.845) 4.204 5.396 ( -3.632 -0.001 5.611) 6.685 5.490 ( -2.905 -3.901 -1.443) 5.074 5.534 ( -0.531 -6.230 3.739) 7.285 5.557 ( -0.434 -0.417 -0.513) 0.791 5.828 ( -0.473 -2.666 -0.611) 2.775 5.887 ( 4.219 -3.837 -3.062) 6.473 5.913 ( -0.765 0.341 -2.772) 2.896 5.975 ( -7.691 -2.269 1.038) 8.085 6.040 ( -0.747 2.073 -1.250) 2.533 6.129 ( 2.040 -1.289 -2.166) 3.243 6.192 ( 4.521 0.749 -2.273) 5.115 6.218 ( 1.480 1.433 -1.760) 2.710 6.518 ( 0.489 0.990 -0.150) 1.115 6.545 ( -4.194 -0.241 -1.748) 4.550 6.579 ( 2.636 0.535 2.635) 3.765 6.603 ( -1.379 -0.420 2.606) 2.978 6.759 ( 1.188 0.689 1.054) 1.731 6.812 ( 5.677 0.898 -1.880) 6.047 6.879 ( 3.631 -2.014 0.173) 4.156 6.982 ( -4.331 -4.141 -1.319) 6.136 7.464 ( -13.203 3.567 3.007) 14.003 7.570 ( -10.981 4.608 -0.559) 11.921 7.665 ( -12.024 -4.035 3.894) 13.267 7.885 ( -10.535 -8.316 -1.667) 13.525 8.675 ( 1.819 3.587 -0.842) 4.109 8.745 ( -1.945 2.205 -1.013) 3.110 8.847 ( -2.364 0.454 2.135) 3.217 8.871 ( -0.819 -1.514 0.226) 1.736 9.020 ( 1.263 1.075 -1.032) 1.954 9.053 ( 0.955 0.272 0.944) 1.370 9.113 ( -0.512 -2.454 0.671) 2.595 9.118 ( 1.590 -2.112 -0.308) 2.662 9.268 ( 3.829 0.851 -0.122) 3.924 9.336 ( 4.200 -2.317 -0.653) 4.841 9.347 ( 6.090 0.197 -0.156) 6.095 9.408 ( 3.731 -1.505 2.152) 4.562 9.541 ( -7.767 -0.475 -1.304) 7.890 9.546 ( -10.555 -0.726 0.724) 10.605 9.635 ( -7.896 1.773 -0.895) 8.142 9.699 ( -7.029 -1.769 -1.817) 7.472 9.874 ( 2.874 1.568 -2.440) 4.083 9.973 ( -4.747 -1.451 -0.494) 4.988 10.087 ( -2.608 3.075 1.893) 4.455 10.206 ( -4.414 -2.783 -0.201) 5.222 10.463 ( -1.496 2.760 1.977) 3.710 10.536 ( -1.114 2.402 -1.215) 2.914 10.615 ( -2.564 -3.045 1.323) 4.195 10.649 ( -1.341 -1.737 -0.597) 2.275 11.546 ( 3.787 -0.113 0.359) 3.805 11.582 ( 6.051 -1.271 -0.305) 6.191 11.609 ( 4.553 0.102 0.087) 4.555 11.645 ( 4.983 -0.531 -0.101) 5.013 11.913 ( -0.903 1.950 -0.471) 2.200 11.966 ( -0.951 0.081 -1.198) 1.532 11.996 ( -1.197 2.171 -0.454) 2.521 12.017 ( -1.619 1.742 -1.410) 2.765 12.129 ( 0.232 -0.497 2.067) 2.139 12.182 ( 1.182 -2.569 -1.389) 3.151 12.244 ( 2.014 -1.964 1.099) 3.020 12.281 ( 3.422 -3.561 0.457) 4.960 12.680 ( 0.900 1.587 -0.588) 1.917 12.719 ( 1.089 2.264 0.216) 2.522 12.778 ( -2.291 -2.621 -0.585) 3.530 12.806 ( -1.502 -1.602 0.155) 2.201 13.385 ( 4.407 6.749 -0.269) 8.065 13.399 ( 4.300 6.832 0.031) 8.073 13.589 ( -3.122 -0.056 -0.474) 3.159 13.616 ( -2.849 -0.464 0.348) 2.907 14.016 ( 5.719 3.857 0.721) 6.936 14.118 ( 4.583 -1.581 -0.631) 4.889 14.156 ( 6.456 -1.212 0.051) 6.569 14.201 ( 3.669 -1.756 0.200) 4.073 14.363 ( 1.722 9.080 -1.006) 9.296 14.420 ( -3.841 8.800 0.386) 9.610 14.522 ( -7.741 1.515 -0.333) 7.895 14.627 ( -6.830 -0.417 -0.564) 6.866 15.038 ( 0.767 -0.248 0.145) 0.819 15.067 ( 1.209 0.155 -0.701) 1.406 15.258 ( -5.574 -7.362 0.419) 9.244 15.285 ( -6.132 -7.088 -0.233) 9.376 15.365 ( 7.091 1.397 -0.530) 7.247 15.427 ( 6.471 1.416 -0.766) 6.668 15.472 ( 3.070 -1.306 -0.067) 3.337 15.532 ( 3.467 -1.710 0.502) 3.898 15.848 ( 9.341 0.157 0.227) 9.345 15.875 ( 9.151 -0.756 0.883) 9.225 15.943 ( 3.935 1.694 -0.106) 4.285 16.006 ( 3.383 -0.701 2.720) 4.397 16.367 ( -1.009 -0.452 0.327) 1.153 16.382 ( 0.534 -1.382 0.364) 1.526 16.455 ( -2.250 2.207 0.443) 3.183 16.522 ( -7.141 -0.836 1.351) 7.315 17.148 ( 0.900 0.894 -0.184) 1.282 17.188 ( 1.027 -0.729 -1.709) 2.123 17.203 ( 1.722 0.241 0.344) 1.773 17.218 ( 0.275 -0.374 0.941) 1.049 19.789 ( 8.382 0.820 0.172) 8.423 19.857 ( 7.259 -1.971 1.507) 7.672 20.023 ( 5.498 1.275 0.948) 5.723 20.084 ( 5.457 -1.264 1.695) 5.853 20.256 ( -9.102 0.843 1.641) 9.287 20.283 ( -8.795 -0.247 -0.872) 8.842 20.543 ( -5.774 0.771 1.445) 6.002 20.593 ( -5.872 -1.260 -0.269) 6.012 21.967 ( 11.137 2.359 -0.705) 11.406 21.978 ( 9.788 2.338 0.477) 10.075 22.110 ( 9.143 -1.810 -0.187) 9.322 22.114 ( 9.344 -1.841 0.094) 9.524 22.565 ( -7.841 1.154 0.635) 7.951 22.676 ( -9.595 -2.684 -0.905) 10.004 22.756 ( -9.151 -0.826 0.512) 9.203 22.804 ( -9.667 -1.578 -0.951) 9.841 27.232 ( 19.679 3.604 -1.024) 20.032 27.362 ( 18.042 7.775 2.272) 19.777 27.432 ( 24.073 -4.622 -2.665) 24.657 27.863 ( 13.298 -15.296 7.224) 21.518 28.386 ( -21.503 6.455 0.389) 22.454 28.408 ( -18.770 7.182 0.365) 20.101 28.643 ( -21.132 -5.380 0.797) 21.821 28.781 ( -16.358 -8.450 1.412) 18.466 30.476 ( 10.309 4.413 -0.592) 11.230 30.601 ( 7.509 3.934 -1.418) 8.595 30.639 ( 3.930 -2.062 -0.737) 4.499 30.684 ( 3.596 -1.624 -0.954) 4.059 30.857 ( 7.896 5.511 2.483) 9.944 30.928 ( 6.651 3.738 -0.813) 7.672 31.109 ( -2.349 -3.949 2.580) 5.270 31.153 ( 5.183 -3.825 0.790) 6.490 31.276 ( -7.133 2.382 0.683) 7.552 31.400 ( -7.437 0.489 3.445) 8.210 31.545 ( -4.937 2.316 3.438) 6.446 31.648 ( -9.341 0.756 5.017) 10.630 31.998 ( 4.745 4.803 -0.350) 6.761 32.098 ( 0.713 5.685 6.904) 8.971 32.295 ( 8.877 -1.315 7.462) 11.670 32.575 ( 1.794 -7.313 9.513) 12.132 32.849 ( 5.572 1.633 -1.690) 6.048 32.894 ( -4.176 -0.449 2.786) 5.041 33.027 ( 12.630 -0.424 -0.378) 12.642 33.047 ( 13.385 -0.810 0.755) 13.431 33.233 ( -3.227 2.521 -1.518) 4.367 33.358 ( -5.326 -2.688 3.852) 7.101 33.514 ( -8.774 0.642 2.737) 9.214 33.551 ( -10.295 -0.910 2.565) 10.648 34.714 ( 0.412 0.776 3.029) 3.154 34.748 ( 0.967 -0.714 1.334) 1.795 34.930 ( 1.497 1.035 -4.196) 4.574 34.987 ( 1.405 -1.376 -5.205) 5.564 35.381 ( 1.952 2.667 2.890) 4.390 35.438 ( 2.186 2.333 -0.317) 3.213 35.489 ( 2.601 -2.009 -2.153) 3.929 35.567 ( 3.400 1.301 -3.046) 4.747 35.616 ( 2.771 -3.296 -4.818) 6.462 35.670 ( 6.303 -2.218 -8.372) 10.712 35.840 ( -4.567 0.568 -3.133) 5.568 35.881 ( -3.197 -1.053 -4.830) 5.888 36.783 ( 12.436 8.640 -8.991) 17.611 37.168 ( -2.570 -6.039 -3.851) 7.609 37.375 ( -9.467 3.758 -2.949) 10.604 37.654 ( -21.650 -6.135 5.749) 23.226 ======================= Grid point 97 (52/63) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 4.036 -0.732 2.578) 4.844 1.733 ( -6.217 -3.357 -8.767) 11.260 1.775 ( -8.823 2.217 0.649) 9.120 1.833 ( 8.127 5.752 -4.598) 10.967 1.976 ( 1.262 0.625 -0.886) 1.664 2.002 ( -0.253 3.022 -3.864) 4.912 2.121 ( 11.724 -2.443 5.575) 13.210 2.257 ( 0.029 -5.371 -5.306) 7.550 2.360 ( 0.142 -2.800 1.082) 3.005 2.373 ( -4.307 1.501 1.672) 4.857 2.419 ( -6.175 -2.051 -3.180) 7.242 2.531 ( -5.804 -1.763 -10.192) 11.861 2.600 ( 0.405 5.860 3.433) 6.804 2.631 ( 3.492 0.398 4.604) 5.792 2.734 ( -5.106 -1.335 -3.807) 6.508 2.795 ( -2.313 -4.188 -0.648) 4.828 2.861 ( 4.371 0.550 4.432) 6.249 2.919 ( 2.738 1.061 0.319) 2.954 2.995 ( -0.436 -2.436 5.346) 5.891 3.107 ( -2.043 2.846 -7.649) 8.413 3.172 ( 3.757 -8.114 1.921) 9.145 3.287 ( -7.427 -2.844 -7.896) 11.207 3.347 ( 3.551 1.039 5.868) 6.937 3.445 ( 1.010 0.671 -0.492) 1.309 3.538 ( -1.605 1.513 1.771) 2.829 3.579 ( 2.034 4.058 0.467) 4.563 3.599 ( 1.642 2.293 -0.710) 2.908 3.623 ( -3.211 2.718 -4.028) 5.824 3.676 ( -2.329 4.103 0.567) 4.752 3.708 ( -0.574 6.898 -3.017) 7.550 3.833 ( 0.856 4.399 -0.302) 4.491 3.842 ( 1.687 3.638 0.542) 4.047 3.929 ( -1.464 2.228 1.875) 3.259 3.988 ( 0.386 -1.274 -1.982) 2.387 4.139 ( 0.903 1.374 1.187) 2.028 4.146 ( 1.936 -2.658 0.021) 3.289 4.250 ( 1.437 -0.767 4.218) 4.521 4.277 ( 2.821 -3.325 1.665) 4.667 4.314 ( 0.769 1.597 -1.119) 2.096 4.353 ( -5.529 -3.705 -4.442) 8.002 4.416 ( 3.111 1.045 0.852) 3.391 4.447 ( -0.816 0.051 -2.010) 2.170 4.529 ( 2.335 -1.109 -2.132) 3.351 4.553 ( -2.077 0.308 -3.661) 4.220 4.711 ( 1.192 2.343 4.843) 5.510 4.774 ( -0.949 3.684 -0.959) 3.923 4.899 ( -0.382 -1.196 2.959) 3.214 4.915 ( 1.697 4.234 5.599) 7.222 4.953 ( 0.818 -2.424 -1.596) 3.015 5.023 ( 0.483 6.265 -1.376) 6.433 5.092 ( -1.187 -0.958 2.251) 2.719 5.186 ( -2.220 -0.341 -3.103) 3.830 5.286 ( -8.465 -0.456 6.123) 10.457 5.314 ( -2.243 -1.335 2.827) 3.847 5.344 ( 5.771 -0.209 3.220) 6.612 5.424 ( 3.385 0.898 -2.822) 4.497 5.474 ( 0.565 -1.345 3.141) 3.463 5.511 ( -3.598 -2.491 0.351) 4.390 5.524 ( 5.099 -4.856 1.940) 7.304 5.566 ( 1.257 -2.701 -1.413) 3.297 5.800 ( -5.622 -0.842 2.902) 6.383 5.892 ( -0.292 -3.459 -1.537) 3.796 5.896 ( 1.314 -0.807 -1.393) 2.078 5.948 ( 6.208 -2.671 -2.716) 7.284 6.041 ( 0.019 2.103 1.358) 2.504 6.097 ( -1.736 0.902 -3.502) 4.012 6.192 ( 1.391 -0.805 -0.741) 1.770 6.207 ( -2.460 -0.790 -2.358) 3.498 6.534 ( -1.389 0.675 1.847) 2.408 6.550 ( 0.091 -0.016 0.311) 0.325 6.608 ( 0.947 0.310 0.964) 1.387 6.627 ( 3.133 0.040 -0.601) 3.190 6.794 ( 0.074 -0.811 1.042) 1.323 6.813 ( -1.672 -0.736 -1.289) 2.236 6.910 ( 0.010 -1.436 0.378) 1.485 6.920 ( -1.975 -1.576 -0.415) 2.560 7.395 ( 0.439 3.569 3.826) 5.250 7.455 ( 0.602 4.776 -2.033) 5.226 7.645 ( 2.770 -5.486 5.072) 7.968 7.733 ( -2.127 -6.242 -3.543) 7.486 8.693 ( 1.497 3.483 -0.294) 3.803 8.702 ( -1.383 3.460 -1.134) 3.895 8.842 ( -1.020 -0.086 1.844) 2.109 8.863 ( 0.246 -0.955 -0.310) 1.033 9.050 ( 2.180 0.285 0.054) 2.200 9.055 ( -1.185 0.799 -0.216) 1.446 9.103 ( -1.845 -2.141 1.676) 3.286 9.135 ( 1.789 -2.343 -1.379) 3.254 9.351 ( 2.738 0.678 1.483) 3.186 9.377 ( -6.225 -0.048 -0.312) 6.233 9.402 ( -1.315 0.026 0.700) 1.490 9.412 ( -0.792 -0.450 0.188) 0.930 9.425 ( 0.427 -0.589 0.059) 0.730 9.451 ( 3.556 -1.509 -1.781) 4.254 9.589 ( 1.495 -1.508 -0.219) 2.134 9.599 ( -0.855 -1.520 -1.062) 2.042 9.907 ( -3.849 1.085 -0.118) 4.000 9.922 ( 4.788 0.201 -1.484) 5.017 10.093 ( 1.701 0.516 1.816) 2.541 10.125 ( -2.671 -1.077 -1.417) 3.209 10.468 ( -0.795 3.068 2.223) 3.871 10.511 ( 0.713 3.192 -1.958) 3.812 10.612 ( -0.279 -2.885 1.482) 3.256 10.635 ( 0.413 -2.153 -0.755) 2.319 11.587 ( 0.265 0.591 0.850) 1.069 11.606 ( -0.568 0.206 -1.005) 1.172 11.673 ( 1.058 -1.443 0.785) 1.954 11.685 ( -0.875 -1.550 -0.425) 1.830 11.914 ( 0.866 1.417 0.260) 1.681 11.932 ( -1.333 1.393 -1.570) 2.487 11.969 ( -0.794 0.712 0.732) 1.293 11.990 ( 0.689 0.705 -1.241) 1.585 12.148 ( -0.968 -0.071 1.916) 2.148 12.183 ( 0.623 -1.991 -1.532) 2.588 12.289 ( 0.420 -2.955 1.237) 3.231 12.311 ( 0.259 -3.662 -0.926) 3.786 12.695 ( 0.757 1.104 0.624) 1.477 12.712 ( -1.467 0.977 -1.022) 2.037 12.762 ( 1.549 -1.337 0.659) 2.150 12.776 ( -0.905 -1.492 -0.693) 1.878 13.438 ( -0.899 6.235 0.004) 6.299 13.440 ( 0.901 6.364 -0.162) 6.430 13.557 ( 0.269 3.548 0.566) 3.603 13.569 ( -0.439 3.388 -0.644) 3.476 14.096 ( 1.035 2.110 1.751) 2.930 14.134 ( -1.165 1.449 -1.925) 2.676 14.239 ( -0.018 -0.200 0.453) 0.496 14.247 ( 0.276 -0.865 -0.268) 0.947 14.389 ( -6.554 3.521 0.876) 7.492 14.416 ( 6.194 3.242 -1.673) 7.189 14.444 ( 5.075 2.688 1.757) 6.006 14.483 ( -4.805 2.153 -1.986) 5.628 15.062 ( 1.005 -2.430 0.441) 2.666 15.076 ( -0.407 -2.024 -0.849) 2.233 15.191 ( -1.692 -7.524 0.740) 7.748 15.204 ( 0.807 -7.293 -0.570) 7.359 15.447 ( 1.471 2.983 0.309) 3.340 15.456 ( -1.721 3.219 -0.584) 3.696 15.529 ( -0.177 -1.572 0.766) 1.757 15.544 ( 0.383 -1.196 -0.747) 1.461 15.955 ( 0.424 0.344 0.654) 0.852 15.969 ( 0.366 0.297 -0.781) 0.912 16.018 ( 3.534 -0.867 0.964) 3.765 16.027 ( -2.672 -0.754 0.004) 2.776 16.379 ( 1.481 -0.052 1.120) 1.857 16.386 ( -2.354 -0.191 0.974) 2.554 16.415 ( -1.818 0.368 0.337) 1.885 16.437 ( 1.834 -0.504 -1.273) 2.289 17.155 ( 0.041 0.514 0.218) 0.560 17.169 ( -0.534 -0.049 -1.132) 1.253 17.228 ( -0.536 -0.012 0.642) 0.837 17.237 ( 1.322 -0.416 -0.264) 1.411 19.925 ( 3.278 0.135 0.142) 3.284 19.933 ( -2.028 0.022 -0.667) 2.135 20.083 ( 2.229 -0.450 0.867) 2.433 20.092 ( -1.759 -0.535 -0.015) 1.839 20.185 ( -2.924 0.740 2.396) 3.852 20.205 ( -0.271 -0.131 0.579) 0.652 20.504 ( 0.124 0.469 1.509) 1.585 20.533 ( 0.827 -0.741 -1.131) 1.585 22.070 ( -0.978 2.841 0.536) 3.052 22.083 ( 1.149 2.748 -0.723) 3.065 22.220 ( 0.147 -3.435 0.822) 3.535 22.231 ( 0.493 -3.410 -0.212) 3.452 22.498 ( 2.092 1.117 0.753) 2.488 22.526 ( -2.341 0.151 -1.877) 3.004 22.675 ( -0.287 -0.940 1.043) 1.433 22.693 ( -0.203 -1.490 -0.710) 1.663 27.490 ( 1.999 5.719 0.784) 6.109 27.505 ( -2.334 6.506 -0.759) 6.953 27.804 ( 13.664 -6.888 1.886) 15.418 27.841 ( -14.833 -7.102 -1.902) 16.555 28.167 ( -1.949 5.799 0.879) 6.181 28.188 ( 2.130 6.020 -1.185) 6.494 28.564 ( 6.945 -9.254 3.765) 12.167 28.597 ( -5.367 -9.750 0.511) 11.141 30.590 ( 2.448 2.667 0.515) 3.656 30.608 ( -3.695 2.383 -1.245) 4.570 30.694 ( 0.224 -0.608 -0.067) 0.651 30.701 ( 0.245 -0.393 -0.753) 0.884 31.002 ( 2.163 1.225 1.210) 2.765 31.018 ( -3.896 1.379 -0.266) 4.141 31.048 ( 5.288 0.799 1.546) 5.567 31.082 ( -4.149 -0.205 -1.746) 4.506 31.315 ( 1.248 -1.957 2.389) 3.330 31.346 ( 0.180 -3.134 -0.589) 3.194 31.570 ( -4.233 4.355 5.399) 8.125 31.605 ( 3.832 2.680 1.694) 4.974 32.101 ( 0.929 6.338 3.504) 7.302 32.117 ( -1.045 7.021 2.305) 7.463 32.570 ( 7.437 -4.993 8.087) 12.068 32.614 ( -5.880 -5.228 4.438) 9.034 32.823 ( -2.083 0.146 -1.977) 2.875 32.836 ( -1.246 0.012 -2.807) 3.071 33.163 ( 1.851 -0.608 -0.787) 2.101 33.169 ( -0.263 -0.632 -1.326) 1.492 33.295 ( 4.660 0.436 2.458) 5.287 33.310 ( -4.865 -0.157 0.981) 4.965 33.418 ( -1.531 -0.149 1.103) 1.893 33.420 ( 0.675 -0.156 0.957) 1.181 34.780 ( 0.088 0.551 5.640) 5.668 34.811 ( 0.978 -0.822 4.760) 4.928 34.895 ( 0.922 0.556 -4.995) 5.109 34.930 ( 0.097 -0.898 -6.240) 6.305 35.431 ( 0.061 0.914 1.422) 1.692 35.468 ( 1.155 1.056 -0.737) 1.730 35.502 ( 0.992 1.291 0.016) 1.628 35.542 ( 2.412 1.835 -6.762) 7.410 35.637 ( 4.891 -1.811 -4.211) 6.704 35.677 ( -1.878 -2.628 -1.364) 3.506 35.705 ( -1.875 -0.571 -3.893) 4.358 35.745 ( -2.757 -1.423 -4.427) 5.406 36.990 ( -17.862 5.394 1.557) 18.724 37.013 ( 16.202 5.934 -0.619) 17.266 37.342 ( -18.951 -4.423 2.750) 19.654 37.407 ( 17.624 -5.788 -3.601) 18.897 ======================= Grid point 98 (53/63) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -18.195 4.347 0.320) 18.710 1.597 ( -16.483 10.962 0.751) 19.810 1.756 ( -6.746 -6.033 0.775) 9.083 1.839 ( -0.195 -2.700 6.430) 6.977 1.878 ( -4.939 -4.457 1.070) 6.739 1.912 ( -10.362 -1.959 -0.464) 10.555 2.066 ( 5.009 2.355 -3.152) 6.369 2.190 ( -6.964 -1.417 -2.376) 7.493 2.276 ( -4.602 2.949 -0.876) 5.535 2.353 ( -4.184 2.847 2.515) 5.651 2.485 ( -3.848 -4.091 0.170) 5.619 2.556 ( -1.028 4.263 1.328) 4.582 2.646 ( 13.078 0.152 3.949) 13.662 2.678 ( -2.689 -1.548 2.434) 3.944 2.772 ( 6.867 1.059 4.384) 8.216 2.822 ( -0.538 1.771 -5.578) 5.877 2.843 ( -2.066 -0.224 -0.829) 2.237 2.864 ( -2.406 -5.804 -2.059) 6.611 2.991 ( -1.078 -2.315 3.761) 4.546 3.042 ( -4.302 -0.483 -1.869) 4.715 3.126 ( -0.832 2.744 1.054) 3.054 3.315 ( 2.067 -6.248 0.456) 6.597 3.367 ( -3.778 -1.945 3.231) 5.338 3.397 ( -1.551 -1.750 -5.474) 5.953 3.448 ( -8.563 6.161 5.383) 11.843 3.476 ( -6.627 0.183 -0.901) 6.690 3.572 ( -3.854 0.501 0.183) 3.891 3.602 ( -1.370 1.365 3.719) 4.191 3.638 ( -2.494 2.752 1.269) 3.925 3.720 ( -2.857 1.950 -2.215) 4.107 3.768 ( -1.665 4.395 0.246) 4.707 3.905 ( 4.507 3.901 -0.001) 5.961 3.970 ( -0.394 2.399 2.642) 3.590 4.078 ( 0.506 0.663 -5.126) 5.194 4.083 ( 7.883 4.969 0.863) 9.359 4.158 ( -2.462 -0.633 0.105) 2.544 4.221 ( -5.003 0.366 -3.026) 5.858 4.259 ( 1.141 -0.670 -1.992) 2.391 4.323 ( 0.442 1.302 -2.244) 2.631 4.342 ( -2.485 -1.586 -1.334) 3.236 4.427 ( 2.953 -6.381 1.738) 7.243 4.489 ( 2.777 -2.320 -0.700) 3.686 4.533 ( 4.030 0.033 2.718) 4.861 4.600 ( 5.887 0.763 1.085) 6.034 4.716 ( -2.166 2.793 -3.768) 5.166 4.772 ( 1.393 3.601 1.556) 4.163 4.908 ( -1.634 -5.932 -2.781) 6.753 4.948 ( 1.924 -1.609 1.710) 3.036 5.008 ( 3.923 4.451 -4.294) 7.324 5.042 ( 4.659 5.754 1.796) 7.618 5.093 ( -1.897 -1.227 -1.482) 2.702 5.163 ( -2.177 2.804 3.561) 5.028 5.242 ( -2.758 -1.554 5.390) 6.251 5.256 ( -4.149 0.955 -0.113) 4.259 5.390 ( -4.719 -1.055 0.110) 4.837 5.447 ( -1.878 -4.529 1.409) 5.101 5.479 ( 4.147 2.647 -3.180) 5.859 5.534 ( 3.941 0.495 -4.695) 6.150 5.554 ( 1.982 -1.640 -2.567) 3.634 5.598 ( 3.157 -6.711 -1.413) 7.550 5.777 ( -1.288 0.843 4.682) 4.929 5.850 ( -2.250 -3.206 -1.020) 4.048 5.916 ( 2.065 -0.464 -2.383) 3.187 5.994 ( 1.854 -0.563 -0.808) 2.099 6.030 ( 1.641 -1.104 -0.439) 2.026 6.083 ( -2.365 -1.961 1.647) 3.486 6.159 ( -0.579 0.780 0.668) 1.179 6.178 ( -2.168 0.604 1.632) 2.780 6.494 ( -3.297 1.673 1.729) 4.082 6.516 ( -1.072 0.425 1.192) 1.659 6.642 ( 0.747 0.383 -2.781) 2.905 6.663 ( 1.788 -0.263 -3.039) 3.536 6.774 ( -3.824 0.435 1.232) 4.041 6.783 ( -0.190 0.548 -0.965) 1.125 6.873 ( -3.842 -1.034 0.736) 4.047 6.944 ( 3.130 -4.011 2.162) 5.528 7.521 ( 11.401 3.900 -1.560) 12.151 7.559 ( 12.155 3.754 0.110) 12.722 7.753 ( 10.538 -4.473 -4.608) 12.340 7.831 ( 10.901 -7.666 3.735) 13.840 8.671 ( -1.083 3.867 -0.547) 4.053 8.729 ( 2.446 2.653 0.485) 3.641 8.858 ( 0.241 -0.282 1.604) 1.646 8.874 ( 1.320 0.057 -0.328) 1.362 9.020 ( -1.432 1.831 -0.919) 2.499 9.067 ( -0.624 -0.481 -0.533) 0.951 9.089 ( -2.216 -1.555 1.586) 3.137 9.143 ( 0.785 -3.279 -1.499) 3.690 9.263 ( -5.494 -0.215 0.524) 5.523 9.318 ( -4.469 -2.107 1.136) 5.070 9.337 ( -3.629 1.492 0.367) 3.941 9.427 ( -4.298 -2.960 0.681) 5.263 9.540 ( 9.428 0.840 -1.278) 9.551 9.554 ( 9.877 0.388 0.023) 9.885 9.642 ( 8.682 -0.610 -1.677) 8.863 9.663 ( 5.436 -2.127 1.503) 6.028 9.840 ( -3.042 3.326 0.668) 4.556 9.980 ( 4.537 -2.601 -1.225) 5.372 10.114 ( 2.812 1.716 -0.662) 3.360 10.186 ( 5.422 -1.718 1.703) 5.937 10.489 ( 0.621 2.729 0.595) 2.861 10.520 ( 2.525 2.825 -0.670) 3.848 10.631 ( 1.252 -2.531 0.951) 2.980 10.644 ( 1.788 -2.575 -1.162) 3.344 11.554 ( -4.037 -0.182 -0.435) 4.065 11.574 ( -4.216 -0.053 0.494) 4.246 11.611 ( -6.115 -0.751 -0.194) 6.164 11.639 ( -5.500 -0.686 0.387) 5.556 11.909 ( 0.392 2.147 -0.149) 2.188 11.939 ( 0.863 0.525 1.119) 1.507 11.990 ( 1.346 0.857 1.178) 1.984 12.001 ( 1.615 0.973 -0.715) 2.017 12.148 ( -1.498 -0.838 1.660) 2.387 12.164 ( -0.582 -1.376 -1.255) 1.951 12.262 ( -2.625 -2.679 -0.514) 3.786 12.297 ( -0.956 -2.824 -0.872) 3.106 12.669 ( -2.010 1.783 0.404) 2.717 12.719 ( -0.033 2.524 0.177) 2.531 12.774 ( 1.328 -2.897 -0.187) 3.192 12.809 ( 2.381 -1.648 -0.114) 2.898 13.378 ( -4.480 6.600 0.309) 7.983 13.404 ( -4.246 6.998 -0.322) 8.192 13.579 ( 2.304 -0.298 0.381) 2.354 13.621 ( 3.669 0.001 -0.050) 3.669 14.036 ( -6.915 3.942 -1.237) 8.055 14.091 ( -3.177 -0.554 1.777) 3.682 14.166 ( -6.297 -2.144 -0.682) 6.687 14.202 ( -3.847 -1.779 0.027) 4.238 14.343 ( -1.408 7.861 0.699) 8.017 14.428 ( 3.249 8.879 -0.301) 9.460 14.528 ( 7.397 2.254 -0.968) 7.793 14.613 ( 8.064 -0.654 0.785) 8.129 15.034 ( -2.303 0.035 0.344) 2.329 15.069 ( 0.612 -0.485 -0.773) 1.099 15.244 ( 4.304 -7.690 1.353) 8.916 15.286 ( 6.549 -6.745 -0.056) 9.402 15.361 ( -7.055 1.307 -0.163) 7.177 15.417 ( -7.251 0.806 0.131) 7.297 15.470 ( -2.734 -0.392 0.159) 2.766 15.542 ( -2.664 -1.961 -0.393) 3.331 15.866 ( -9.370 0.791 -1.292) 9.492 15.897 ( -8.558 -0.251 -1.137) 8.636 15.935 ( -4.013 1.925 0.678) 4.502 16.047 ( -0.425 -2.452 -0.952) 2.664 16.370 ( 0.277 0.665 0.972) 1.210 16.382 ( -0.200 -0.443 -0.792) 0.930 16.467 ( 2.034 0.414 -0.362) 2.107 16.532 ( 9.218 -1.993 0.669) 9.455 17.148 ( -0.730 0.337 -0.281) 0.852 17.158 ( -0.620 0.091 1.076) 1.245 17.209 ( -1.803 0.415 -0.223) 1.864 17.238 ( -0.131 -0.755 -0.969) 1.236 19.800 ( -8.113 1.288 -0.685) 8.243 19.880 ( -5.597 -2.056 -0.731) 6.007 20.039 ( -6.485 1.289 -0.372) 6.623 20.101 ( -4.909 -1.325 0.363) 5.098 20.245 ( 7.522 0.985 2.682) 8.046 20.274 ( 8.081 -0.238 -0.111) 8.086 20.581 ( 5.994 -0.257 -1.665) 6.226 20.584 ( 6.375 -0.357 0.406) 6.397 21.961 ( -10.723 2.791 -0.162) 11.082 21.993 ( -9.426 2.640 -0.890) 9.829 22.102 ( -10.301 -2.113 0.420) 10.524 22.117 ( -9.736 -2.212 -0.110) 9.984 22.591 ( 9.314 0.837 -1.904) 9.543 22.647 ( 9.892 -0.047 1.804) 10.055 22.765 ( 8.291 -2.579 0.225) 8.686 22.780 ( 8.767 -2.132 0.723) 9.051 27.220 ( -20.098 3.701 0.182) 20.437 27.376 ( -18.699 4.931 0.767) 19.353 27.421 ( -23.623 -1.019 -1.190) 23.675 27.934 ( -5.522 -16.977 0.426) 17.858 28.372 ( 20.913 6.812 1.061) 22.021 28.432 ( 20.359 5.667 -1.130) 21.163 28.680 ( 17.145 -6.609 -2.103) 18.495 28.794 ( 15.596 -8.398 0.196) 17.714 30.473 ( -10.768 4.236 -0.189) 11.573 30.562 ( -6.879 2.782 1.834) 7.644 30.634 ( -4.327 -0.341 -0.004) 4.340 30.676 ( -3.987 -2.850 -0.176) 4.904 30.898 ( -9.082 5.172 -1.051) 10.504 30.908 ( -6.076 3.214 0.927) 6.936 31.132 ( 5.005 -4.200 -0.058) 6.534 31.156 ( -3.119 -3.901 0.436) 5.014 31.291 ( 4.400 2.590 -0.699) 5.153 31.441 ( 7.860 -3.858 -0.940) 8.807 31.597 ( 4.502 5.102 -0.103) 6.805 31.715 ( 7.373 1.066 -1.327) 7.567 32.004 ( -6.358 6.824 -0.179) 9.329 32.222 ( 2.159 2.743 -1.655) 3.863 32.424 ( -7.190 3.748 -3.286) 8.749 32.673 ( -7.179 -2.242 -1.297) 7.632 32.800 ( -5.022 0.543 2.354) 5.573 32.887 ( 8.915 -3.108 3.732) 10.152 33.052 ( -9.774 -0.336 -1.996) 9.982 33.068 ( -9.988 -0.439 -1.042) 10.052 33.224 ( 1.299 3.660 -0.376) 3.902 33.418 ( 10.532 -4.401 0.765) 11.440 33.550 ( 9.990 0.528 -0.307) 10.008 33.582 ( 11.330 -0.838 -0.308) 11.366 34.821 ( -1.040 0.083 -5.350) 5.450 34.833 ( -1.571 -0.130 -1.651) 2.283 34.843 ( -0.593 0.373 -1.816) 1.946 34.877 ( -0.726 -0.850 4.613) 4.746 35.423 ( -2.124 1.817 0.018) 2.795 35.448 ( -1.896 0.394 0.008) 1.936 35.471 ( -0.596 0.740 -5.261) 5.346 35.516 ( -0.475 -0.828 -1.130) 1.480 35.556 ( -3.071 1.311 -3.234) 4.648 35.660 ( -3.124 -3.190 -2.265) 5.007 35.727 ( 2.765 -0.288 7.565) 8.060 35.754 ( 2.940 -1.649 4.646) 5.740 36.663 ( -20.086 6.936 2.943) 21.452 37.014 ( -15.974 -8.845 6.800) 19.485 37.388 ( 18.070 8.963 -0.708) 20.183 37.733 ( 22.108 -6.402 -2.341) 23.135 ======================= Grid point 99 (54/63) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -17.794 7.097 8.546) 20.976 1.309 ( -20.644 15.385 10.202) 27.694 1.609 ( -5.616 -13.821 4.908) 15.705 1.753 ( -13.249 -6.150 3.753) 15.081 1.870 ( -9.651 1.224 5.062) 10.967 1.894 ( -16.569 8.694 9.203) 20.853 2.025 ( -1.485 -3.963 9.708) 10.590 2.196 ( 6.217 1.540 -3.093) 7.113 2.246 ( -2.305 0.319 2.257) 3.241 2.307 ( 1.407 0.795 0.524) 1.699 2.350 ( -4.658 -0.407 -0.909) 4.764 2.527 ( -2.087 2.311 -3.349) 4.573 2.640 ( -0.492 4.157 4.953) 6.485 2.687 ( -5.997 2.258 1.642) 6.615 2.787 ( 0.930 -0.059 -5.369) 5.450 2.849 ( 4.215 -1.829 1.460) 4.821 2.870 ( 1.648 0.855 -3.896) 4.316 2.923 ( -0.654 -4.620 3.952) 6.115 2.939 ( -5.637 0.763 -6.507) 8.643 3.018 ( -5.003 -2.857 -2.374) 6.231 3.082 ( 2.136 2.131 0.988) 3.175 3.228 ( -5.885 -0.477 -1.849) 6.187 3.275 ( 1.493 0.768 0.112) 1.682 3.369 ( -3.502 3.555 0.437) 5.010 3.401 ( -1.235 -1.231 3.223) 3.665 3.445 ( -3.180 0.345 2.048) 3.798 3.518 ( -5.704 -3.443 -0.513) 6.682 3.598 ( -4.102 1.596 4.752) 6.477 3.633 ( -3.294 -1.240 8.100) 8.831 3.725 ( 3.092 0.104 5.094) 5.959 3.773 ( -3.542 4.849 -0.754) 6.052 3.897 ( -2.877 -1.187 -2.594) 4.052 3.939 ( -5.514 2.344 1.780) 6.250 4.001 ( -1.068 5.692 -6.524) 8.724 4.108 ( 1.719 1.242 -4.277) 4.774 4.165 ( -0.351 -0.230 3.098) 3.127 4.169 ( 2.516 -2.026 -2.239) 3.931 4.261 ( -2.878 -1.272 -0.291) 3.160 4.280 ( -0.650 -3.572 -5.155) 6.305 4.335 ( 5.218 4.478 0.370) 6.886 4.382 ( -1.306 -6.117 -5.058) 8.044 4.559 ( 0.522 0.249 -0.407) 0.707 4.626 ( 0.308 -2.619 2.538) 3.659 4.683 ( 3.138 -4.851 -2.154) 6.166 4.724 ( 4.282 2.247 2.428) 5.411 4.797 ( 4.672 0.662 -2.060) 5.149 4.894 ( -0.131 1.031 -0.570) 1.186 4.965 ( -0.744 -0.215 -0.510) 0.928 4.978 ( -0.343 3.351 -4.539) 5.652 5.023 ( -2.136 0.133 -2.951) 3.645 5.097 ( -0.530 2.736 -0.931) 2.938 5.140 ( 3.138 4.233 -1.247) 5.415 5.220 ( -3.641 -0.006 1.581) 3.969 5.323 ( 6.322 3.404 0.689) 7.213 5.340 ( -0.381 -0.660 -1.129) 1.362 5.403 ( 0.383 -1.822 -3.177) 3.682 5.459 ( -4.707 1.735 -0.829) 5.085 5.501 ( 1.022 1.194 -3.849) 4.157 5.543 ( 1.150 -7.240 -1.667) 7.518 5.632 ( 3.668 -6.799 -1.381) 7.848 5.803 ( -2.357 -1.068 0.132) 2.591 5.844 ( 1.194 -2.785 1.301) 3.297 5.921 ( 0.040 1.162 2.812) 3.043 6.016 ( -0.318 2.046 3.790) 4.319 6.075 ( -0.844 -3.467 2.305) 4.248 6.101 ( 2.114 1.163 1.628) 2.911 6.123 ( 0.687 0.467 0.382) 0.914 6.236 ( 5.208 -1.546 -0.445) 5.450 6.504 ( 0.153 3.538 3.195) 4.770 6.541 ( -1.632 -0.506 -0.425) 1.761 6.590 ( -1.156 0.459 1.557) 1.992 6.619 ( -1.993 0.553 -2.417) 3.181 6.723 ( -0.609 2.238 0.107) 2.322 6.806 ( 4.235 -0.362 -0.897) 4.345 6.817 ( -1.190 1.841 -0.504) 2.250 7.032 ( 3.062 -5.994 2.270) 7.103 7.745 ( 16.076 3.956 -1.531) 16.626 7.813 ( 16.463 2.860 -0.339) 16.714 7.957 ( 17.113 -4.543 -2.768) 17.921 8.070 ( 11.879 -8.796 2.232) 14.949 8.637 ( -2.342 4.357 -0.574) 4.979 8.777 ( 1.976 0.451 0.308) 2.050 8.881 ( -0.015 -0.043 1.058) 1.059 8.891 ( 0.534 0.917 0.093) 1.065 9.004 ( 0.276 2.002 0.199) 2.031 9.016 ( -4.166 -0.906 -0.387) 4.281 9.057 ( -3.795 -1.688 0.959) 4.263 9.120 ( -1.613 -2.406 -1.392) 3.214 9.197 ( -4.382 -0.684 1.103) 4.570 9.230 ( -4.424 -0.594 0.271) 4.472 9.308 ( -7.490 -0.976 -1.166) 7.643 9.319 ( 0.611 -1.741 -0.891) 2.049 9.670 ( 4.964 0.422 0.656) 5.025 9.718 ( 7.700 -1.132 -0.449) 7.795 9.789 ( 6.487 -0.975 1.859) 6.819 9.826 ( 10.760 -1.159 1.571) 10.935 9.881 ( 9.224 5.594 0.220) 10.790 10.099 ( 9.924 -3.765 0.490) 10.625 10.164 ( 4.285 2.946 -2.392) 5.724 10.284 ( 4.208 -3.226 -0.363) 5.315 10.505 ( 2.056 2.599 -0.672) 3.382 10.571 ( 3.342 1.531 -0.479) 3.707 10.659 ( 1.522 -1.769 0.456) 2.378 10.701 ( 5.318 -2.500 0.064) 5.876 11.431 ( -10.859 -1.158 -0.632) 10.939 11.455 ( -6.388 -2.380 -0.320) 6.824 11.472 ( -10.838 1.499 0.478) 10.952 11.546 ( -6.034 -0.547 0.563) 6.084 11.934 ( 1.140 1.677 1.025) 2.272 11.965 ( 0.060 1.523 1.180) 1.927 12.021 ( 2.290 1.694 0.289) 2.863 12.041 ( 2.741 1.728 0.999) 3.390 12.118 ( -2.316 -1.136 -0.406) 2.611 12.157 ( -0.707 -1.329 1.016) 1.816 12.216 ( -1.520 -1.558 -1.317) 2.544 12.270 ( 0.929 -0.469 -2.159) 2.396 12.642 ( -2.533 2.803 1.039) 3.918 12.698 ( -1.970 3.649 -0.597) 4.190 12.794 ( 0.090 -3.018 0.701) 3.100 12.824 ( 0.088 -1.954 -0.523) 2.025 13.308 ( -4.317 5.108 0.552) 6.711 13.320 ( -4.455 5.147 -0.457) 6.822 13.576 ( -6.932 -7.151 1.026) 10.012 13.641 ( -1.865 -8.560 -1.117) 8.832 13.953 ( 1.775 11.078 -0.464) 11.229 14.044 ( -1.834 0.290 -0.982) 2.101 14.108 ( 0.977 -1.475 1.638) 2.411 14.183 ( 2.803 -1.976 -0.957) 3.561 14.331 ( -1.872 9.224 1.255) 9.496 14.498 ( 3.805 11.111 -0.175) 11.746 14.628 ( 4.628 2.033 0.050) 5.055 14.701 ( 1.108 -2.461 -0.482) 2.742 14.967 ( -9.128 3.201 2.047) 9.887 15.050 ( -2.716 5.716 -3.412) 7.190 15.221 ( -6.596 -4.968 -0.108) 8.258 15.274 ( -9.839 -2.659 0.472) 10.203 15.305 ( -5.351 0.905 1.712) 5.691 15.363 ( 3.178 -0.728 -0.503) 3.299 15.459 ( 0.683 -2.631 -0.062) 2.719 15.473 ( 1.860 -4.405 -0.965) 4.878 15.691 ( -8.147 0.348 -0.410) 8.165 15.704 ( -8.736 -1.308 -0.589) 8.853 15.913 ( -1.375 0.322 -1.205) 1.857 15.979 ( -1.376 -2.018 -5.124) 5.676 16.351 ( -2.346 0.817 -0.333) 2.506 16.380 ( -1.085 -0.653 -0.091) 1.269 16.473 ( -1.432 2.470 0.135) 2.859 16.644 ( 3.454 -4.275 -4.625) 7.183 17.135 ( -0.443 0.476 -0.305) 0.718 17.151 ( -1.500 0.050 0.364) 1.544 17.182 ( -0.837 0.597 0.658) 1.221 17.216 ( -0.854 -0.984 -1.010) 1.648 19.673 ( -5.294 1.325 -0.488) 5.479 19.774 ( -4.309 -2.286 -2.806) 5.627 19.913 ( -6.533 0.657 0.343) 6.575 19.974 ( -7.787 -1.595 -1.586) 8.106 20.417 ( 8.302 0.627 -0.442) 8.337 20.423 ( 8.343 0.525 2.273) 8.664 20.668 ( 6.608 0.236 -1.901) 6.880 20.701 ( 5.800 -1.150 0.012) 5.913 21.762 ( -10.747 2.307 0.514) 11.004 21.794 ( -10.847 2.188 -0.492) 11.077 21.940 ( -9.117 -0.705 0.492) 9.158 21.953 ( -9.402 -1.130 0.342) 9.476 22.738 ( 10.198 0.249 -2.615) 10.531 22.825 ( 7.795 -3.058 0.782) 8.410 22.929 ( 10.153 -2.156 0.622) 10.398 22.966 ( 9.822 -1.682 2.315) 10.231 26.892 ( -17.732 2.028 0.668) 17.860 27.002 ( -22.243 -2.553 1.416) 22.434 27.034 ( -20.814 6.526 -1.655) 21.876 27.612 ( -24.449 -25.429 -11.465) 37.092 28.764 ( 21.874 6.813 0.190) 22.912 28.812 ( 25.648 7.827 -1.383) 26.852 29.033 ( 21.465 -3.915 0.470) 21.825 29.098 ( 19.527 -7.006 -0.066) 20.746 30.244 ( -15.816 6.169 0.707) 16.992 30.456 ( -6.921 6.674 2.155) 9.853 30.507 ( -10.439 -1.905 -0.536) 10.625 30.610 ( -3.563 -1.351 1.135) 3.976 30.742 ( -6.732 5.725 -1.533) 8.969 30.818 ( -5.590 5.963 -0.090) 8.174 30.975 ( -12.377 -2.870 -0.683) 12.724 31.164 ( -0.397 -8.710 -4.134) 9.650 31.439 ( 9.193 2.162 -0.074) 9.444 31.576 ( 9.125 -3.155 -1.149) 9.723 31.703 ( 9.970 5.657 -3.744) 12.059 31.823 ( 6.881 -0.886 -1.927) 7.201 31.933 ( -0.464 6.027 0.246) 6.050 32.134 ( -1.955 -0.714 -5.351) 5.742 32.241 ( -4.499 11.287 -16.463) 20.461 32.509 ( -8.945 -2.423 -2.208) 9.527 32.699 ( -10.179 6.469 0.088) 12.061 32.788 ( -14.906 -0.350 -0.251) 14.912 32.823 ( -12.701 2.025 -3.994) 13.468 33.085 ( 9.720 -4.368 -7.920) 13.277 33.305 ( 5.487 3.749 0.482) 6.663 33.546 ( 10.127 -5.762 -14.341) 18.478 33.687 ( 8.170 0.975 -3.811) 9.068 33.736 ( 8.442 -1.209 -2.972) 9.031 34.732 ( -0.443 0.314 -3.645) 3.685 34.743 ( -0.794 -0.207 -1.395) 1.618 34.864 ( -2.023 0.953 4.355) 4.895 34.914 ( -2.097 -1.091 5.345) 5.844 35.363 ( -2.264 1.814 -2.175) 3.626 35.393 ( -3.174 2.380 -1.335) 4.186 35.418 ( -3.061 -0.059 1.798) 3.551 35.498 ( -3.449 -0.505 3.126) 4.682 35.509 ( -2.524 -0.182 3.056) 3.968 35.583 ( -3.105 -5.370 0.141) 6.205 35.856 ( 1.874 1.248 6.962) 7.317 35.912 ( 4.135 -1.720 4.167) 6.117 36.464 ( -13.322 9.487 16.206) 23.024 37.024 ( -1.240 -17.033 26.464) 31.496 37.662 ( 16.640 11.022 -4.131) 20.382 38.061 ( 19.872 -7.359 -4.348) 21.633 ======================= Grid point 100 (55/63) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -16.644 13.914 15.376) 26.591 1.264 ( -7.218 20.831 19.100) 29.170 1.524 ( -11.963 0.927 -6.294) 13.549 1.567 ( -15.862 16.387 19.708) 30.142 1.768 ( 4.254 -12.725 8.397) 15.828 1.859 ( 0.893 -2.491 -4.745) 5.433 2.019 ( -5.373 -10.779 5.690) 13.320 2.207 ( -4.988 -1.345 -5.474) 7.526 2.290 ( 2.828 -3.245 4.714) 6.384 2.352 ( -4.287 -0.824 8.178) 9.270 2.356 ( 3.371 -3.600 4.177) 6.463 2.521 ( 2.816 3.610 -0.472) 4.603 2.631 ( -2.170 -0.817 1.315) 2.666 2.670 ( -2.541 -10.447 -5.919) 12.274 2.695 ( -6.071 2.009 4.319) 7.717 2.762 ( -1.361 2.423 2.951) 4.053 2.831 ( -4.298 3.136 1.015) 5.416 2.904 ( -2.068 3.129 -0.785) 3.831 2.961 ( 4.109 -1.697 0.952) 4.547 3.004 ( 1.356 -0.620 1.942) 2.448 3.050 ( -0.245 -1.315 -4.425) 4.623 3.144 ( -3.609 -3.331 -1.351) 5.094 3.285 ( -0.340 4.642 -9.967) 11.000 3.306 ( -1.282 0.325 0.303) 1.357 3.390 ( -2.383 4.137 0.787) 4.839 3.409 ( -4.905 4.228 -0.628) 6.506 3.485 ( -2.251 -1.470 3.581) 4.478 3.520 ( -6.802 6.442 0.058) 9.369 3.605 ( -2.180 4.476 -5.116) 7.138 3.700 ( -4.717 -0.472 6.583) 8.112 3.774 ( -5.421 3.532 -0.640) 6.502 3.824 ( 1.187 3.816 -0.490) 4.027 3.885 ( 2.407 -0.043 3.828) 4.522 3.994 ( 2.074 -1.249 0.166) 2.426 4.072 ( -2.237 -1.242 -4.117) 4.847 4.126 ( -4.405 -4.665 0.102) 6.417 4.196 ( -2.239 -4.586 0.286) 5.111 4.240 ( -1.433 -1.766 1.425) 2.684 4.261 ( 3.708 -2.119 -1.616) 4.566 4.312 ( 1.909 -2.575 -5.256) 6.157 4.392 ( 4.612 1.806 -1.236) 5.105 4.590 ( 3.818 0.716 0.345) 3.900 4.607 ( 0.435 -3.429 -7.369) 8.139 4.643 ( 0.310 -0.018 -0.971) 1.020 4.772 ( -0.277 3.265 -3.029) 4.463 4.825 ( 0.448 4.149 -8.620) 9.577 4.861 ( -0.092 3.311 0.982) 3.454 4.927 ( -1.840 2.089 -0.401) 2.813 4.972 ( 0.452 0.493 -2.042) 2.149 4.996 ( 1.928 1.298 -2.575) 3.468 5.071 ( -0.364 -1.664 3.682) 4.057 5.168 ( 1.956 1.708 -3.219) 4.136 5.205 ( 1.025 -0.450 1.452) 1.833 5.287 ( -4.767 4.459 -0.774) 6.574 5.338 ( -1.739 6.404 -4.345) 7.932 5.415 ( 2.249 -2.821 1.589) 3.942 5.432 ( 2.944 1.266 -0.236) 3.213 5.506 ( 0.262 -1.865 0.212) 1.895 5.600 ( 4.989 -7.487 0.495) 9.011 5.678 ( 2.097 -3.748 -1.810) 4.660 5.775 ( -1.674 -0.186 1.943) 2.571 5.828 ( -0.504 -4.266 1.225) 4.466 5.975 ( -0.517 0.637 3.514) 3.608 6.054 ( -3.998 -4.035 2.852) 6.356 6.083 ( 0.564 0.609 -1.017) 1.313 6.162 ( 4.817 0.913 3.130) 5.817 6.226 ( 3.290 -3.178 5.167) 6.901 6.279 ( 4.162 -1.528 -5.235) 6.860 6.514 ( 2.857 -0.520 -0.250) 2.915 6.539 ( -1.351 -1.488 -0.024) 2.010 6.559 ( -0.042 1.419 2.387) 2.777 6.601 ( -2.898 0.115 2.516) 3.840 6.766 ( 4.234 1.796 -0.858) 4.678 6.812 ( -0.213 3.037 0.582) 3.100 6.985 ( 12.057 -9.764 3.181) 15.837 7.106 ( 2.702 -7.713 2.619) 8.582 8.008 ( 14.477 4.257 0.603) 15.102 8.088 ( 15.892 2.595 -1.579) 16.180 8.226 ( 15.374 -4.779 -0.911) 16.125 8.285 ( 10.026 -7.945 1.592) 12.892 8.586 ( -2.368 4.854 -0.106) 5.402 8.778 ( -3.377 -2.065 -0.266) 3.967 8.840 ( -5.241 0.256 -1.119) 5.365 8.867 ( -6.252 -0.796 1.592) 6.501 8.941 ( -2.743 -0.590 -0.191) 2.812 8.969 ( -2.884 0.037 -2.394) 3.749 9.017 ( 0.021 0.911 -0.133) 0.921 9.066 ( -2.450 -0.621 -0.175) 2.533 9.130 ( -3.745 -1.186 0.866) 4.022 9.195 ( -1.307 2.652 -2.760) 4.045 9.214 ( -2.226 -2.829 3.034) 4.707 9.318 ( 1.545 -2.847 -2.409) 4.037 9.735 ( 0.211 0.581 4.293) 4.337 9.802 ( 3.209 -2.380 0.379) 4.013 9.936 ( 7.482 1.657 0.258) 7.668 10.022 ( 9.096 -1.288 0.408) 9.195 10.073 ( 9.552 4.722 0.466) 10.666 10.182 ( 2.837 3.842 -4.721) 6.716 10.286 ( 9.291 -4.319 0.158) 10.247 10.325 ( 3.207 -3.950 -1.698) 5.364 10.547 ( 2.004 2.841 0.654) 3.538 10.608 ( 2.455 1.950 -1.373) 3.423 10.704 ( 2.141 -1.059 0.626) 2.469 10.779 ( 3.001 -2.916 -1.054) 4.315 11.225 ( -10.633 1.065 -0.557) 10.701 11.270 ( -11.768 3.045 -0.002) 12.156 11.361 ( -3.853 -4.488 0.484) 5.935 11.442 ( -5.243 -3.055 -0.558) 6.093 11.950 ( -1.715 1.531 2.186) 3.172 11.962 ( -0.115 2.096 -0.613) 2.187 12.059 ( -0.822 -1.498 0.062) 1.710 12.100 ( 1.984 1.342 0.348) 2.421 12.128 ( 0.565 -1.323 -1.244) 1.902 12.147 ( 4.203 3.528 2.340) 5.966 12.195 ( 0.074 1.896 -0.180) 1.906 12.277 ( 2.566 1.815 -2.056) 3.756 12.602 ( -2.956 4.873 0.598) 5.731 12.649 ( -1.746 4.784 -1.372) 5.274 12.791 ( -1.034 -1.644 0.854) 2.122 12.817 ( -0.361 -3.953 -0.111) 3.971 13.246 ( -3.530 2.281 0.697) 4.261 13.252 ( -2.297 1.247 -0.659) 2.695 13.400 ( -11.429 -4.109 0.550) 12.158 13.464 ( -15.048 -9.945 -2.708) 18.239 14.063 ( 8.923 10.726 -0.418) 13.959 14.102 ( 8.307 5.538 -0.428) 9.994 14.184 ( 4.688 -0.587 0.790) 4.791 14.265 ( 5.292 -1.635 -0.646) 5.577 14.314 ( 0.363 6.041 1.272) 6.184 14.520 ( 0.162 10.975 -5.042) 12.079 14.637 ( -5.015 -3.261 0.270) 5.988 14.680 ( -0.621 -0.635 1.588) 1.820 14.789 ( -12.039 5.626 2.445) 13.512 14.867 ( -10.249 8.114 -5.025) 14.004 15.042 ( -11.444 -6.018 -0.681) 12.947 15.070 ( -11.293 -2.032 -1.770) 11.610 15.206 ( -7.439 8.894 0.155) 11.596 15.305 ( -5.594 8.181 -4.014) 10.693 15.522 ( 3.796 -2.453 1.628) 4.804 15.570 ( 7.970 -0.770 -0.304) 8.012 15.617 ( 2.072 -1.141 -0.145) 2.370 15.683 ( 0.374 -4.280 2.526) 4.984 15.774 ( -4.099 1.338 -2.973) 5.237 15.971 ( 3.719 -4.332 -4.513) 7.278 16.298 ( -3.072 1.000 0.470) 3.265 16.335 ( -3.400 -0.553 0.032) 3.445 16.422 ( -3.797 0.579 -0.413) 3.863 16.484 ( -11.226 -1.212 -5.716) 12.655 17.130 ( 0.453 0.696 -0.285) 0.878 17.136 ( -0.402 0.697 0.181) 0.824 17.187 ( -0.487 0.058 1.357) 1.443 17.199 ( 0.071 -0.511 -0.168) 0.543 19.617 ( -1.742 -0.443 0.459) 1.855 19.670 ( -2.555 -0.826 -3.346) 4.290 19.842 ( -3.210 -1.785 -0.059) 3.673 19.853 ( -2.734 -1.926 0.187) 3.350 20.539 ( 6.118 0.877 -0.246) 6.186 20.561 ( 4.201 0.098 1.702) 4.533 20.752 ( 5.163 0.368 -1.545) 5.402 20.771 ( 2.264 -0.554 0.336) 2.355 21.628 ( -6.318 1.210 1.407) 6.585 21.662 ( -4.193 0.126 0.602) 4.238 21.806 ( -6.283 -0.552 -0.139) 6.308 21.814 ( -6.432 -0.561 0.145) 6.458 22.855 ( 6.926 -0.771 -2.718) 7.479 22.909 ( 2.471 -4.814 -1.186) 5.540 23.117 ( 8.661 -0.075 1.248) 8.750 23.143 ( 6.882 -1.040 1.526) 7.125 26.645 ( -11.174 0.759 -0.008) 11.199 26.680 ( -14.160 0.656 -0.945) 14.206 26.717 ( -14.404 0.728 1.319) 14.482 26.918 ( -31.138 -10.049 -9.704) 34.128 29.147 ( 22.426 6.614 -0.240) 23.383 29.214 ( 20.834 5.944 0.289) 21.667 29.354 ( 12.614 -2.380 2.168) 13.018 29.437 ( 18.422 -5.167 -0.597) 19.142 29.959 ( -18.898 8.935 2.250) 21.024 30.279 ( -12.899 8.694 -5.362) 16.454 30.391 ( -3.505 8.269 1.266) 9.070 30.576 ( -2.379 -0.856 1.279) 2.833 30.622 ( -4.956 2.835 -2.196) 6.117 30.675 ( -6.994 4.265 -3.295) 8.829 30.809 ( -6.441 -2.827 1.865) 7.278 31.012 ( -6.081 -5.754 -7.856) 11.481 31.542 ( 1.718 3.475 0.366) 3.894 31.710 ( 6.065 6.051 -2.047) 8.808 31.752 ( -0.252 9.410 -8.416) 12.627 31.919 ( 8.897 1.207 -0.901) 9.023 31.967 ( 4.321 4.587 -3.792) 7.355 32.024 ( 8.412 2.228 0.179) 8.704 32.143 ( 4.627 -2.884 -1.231) 5.589 32.329 ( -7.198 -2.559 -3.626) 8.456 32.471 ( -13.677 5.082 -0.818) 14.614 32.521 ( -15.036 0.199 0.167) 15.038 32.540 ( -14.324 0.150 -2.602) 14.559 32.950 ( 0.352 -10.215 -31.234) 32.864 33.388 ( 2.657 1.321 1.917) 3.533 33.468 ( 1.671 -2.173 -7.393) 7.885 33.733 ( 4.016 1.087 -5.244) 6.694 33.794 ( 4.162 -1.459 -5.264) 6.867 34.773 ( 4.703 0.450 1.486) 4.953 34.790 ( 3.443 -0.254 3.481) 4.903 34.875 ( -2.462 1.581 3.597) 4.636 34.937 ( -2.329 -1.068 4.445) 5.130 35.314 ( -1.040 1.932 -1.043) 2.430 35.331 ( -2.573 2.476 -0.433) 3.597 35.397 ( -1.838 -1.289 1.644) 2.782 35.447 ( -3.295 -1.587 -0.389) 3.678 35.537 ( -2.355 -0.038 8.165) 8.498 35.597 ( -0.233 -3.821 5.824) 6.969 35.885 ( -0.815 1.060 -3.589) 3.830 35.936 ( 0.603 -1.578 -4.579) 4.881 36.660 ( -1.781 13.810 32.560) 35.413 37.463 ( 8.653 -16.808 11.870) 22.322 37.927 ( 16.930 -1.800 5.156) 17.788 38.286 ( 13.107 -9.555 -6.054) 17.313 ======================= Grid point 101 (56/63) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -6.607 -18.980 7.037) 21.294 1.339 ( -6.607 18.980 7.037) 21.294 1.616 ( 6.703 -13.460 -8.793) 17.419 1.616 ( 6.703 13.460 -8.793) 17.419 1.820 ( 0.792 -15.855 7.200) 17.431 1.820 ( 0.792 15.855 7.200) 17.431 2.031 ( -2.358 -4.148 -1.912) 5.140 2.031 ( -2.358 4.148 -1.912) 5.140 2.354 ( 3.536 -11.315 14.176) 18.480 2.354 ( 3.536 11.315 14.176) 18.480 2.451 ( 2.761 -3.026 7.383) 8.443 2.451 ( 2.761 3.026 7.383) 8.443 2.527 ( -5.997 -2.307 -1.089) 6.517 2.527 ( -5.997 2.307 -1.089) 6.517 2.795 ( 2.101 -3.099 4.390) 5.770 2.795 ( 2.101 3.099 4.390) 5.770 2.880 ( -4.124 -2.089 -4.029) 6.132 2.880 ( -4.124 2.089 -4.029) 6.132 2.940 ( 0.643 -3.876 0.918) 4.035 2.940 ( 0.643 3.876 0.918) 4.035 3.064 ( -1.642 -4.529 -0.893) 4.900 3.064 ( -1.642 4.529 -0.893) 4.900 3.244 ( 2.781 -8.140 -15.985) 18.152 3.244 ( 2.781 8.140 -15.985) 18.152 3.349 ( 0.562 -2.223 3.884) 4.511 3.349 ( 0.562 2.223 3.884) 4.511 3.459 ( -3.007 -3.034 -3.086) 5.270 3.459 ( -3.007 3.034 -3.086) 5.270 3.640 ( 0.631 -1.972 2.805) 3.486 3.640 ( 0.631 1.972 2.805) 3.486 3.869 ( -2.396 -6.091 4.445) 7.912 3.869 ( -2.396 6.091 4.445) 7.912 3.961 ( 1.433 -6.770 0.066) 6.920 3.961 ( 1.433 6.770 0.066) 6.920 4.019 ( -4.089 -4.611 -3.422) 7.049 4.019 ( -4.089 4.611 -3.422) 7.049 4.191 ( -0.121 -4.224 5.249) 6.739 4.191 ( -0.121 4.224 5.249) 6.739 4.319 ( 5.780 -4.603 -3.256) 8.074 4.319 ( 5.780 4.603 -3.256) 8.074 4.523 ( 3.526 -2.707 0.606) 4.486 4.523 ( 3.526 2.707 0.606) 4.486 4.668 ( -1.222 -2.316 -1.057) 2.824 4.668 ( -1.222 2.316 -1.057) 2.824 4.758 ( 0.353 -1.785 -1.128) 2.141 4.758 ( 0.353 1.785 -1.128) 2.141 4.819 ( -3.799 -4.652 -6.376) 8.759 4.819 ( -3.799 4.652 -6.376) 8.759 5.059 ( 3.272 -1.424 3.246) 4.824 5.059 ( 3.272 1.424 3.246) 4.824 5.135 ( -0.436 -3.458 -0.722) 3.559 5.135 ( -0.436 3.458 -0.722) 3.559 5.205 ( -0.496 -1.863 -4.179) 4.602 5.205 ( -0.496 1.863 -4.179) 4.602 5.413 ( -0.387 -2.285 -0.177) 2.324 5.413 ( -0.387 2.285 -0.177) 2.324 5.534 ( -1.778 -6.726 1.558) 7.129 5.534 ( -1.778 6.726 1.558) 7.129 5.564 ( 2.560 -5.673 -0.518) 6.246 5.564 ( 2.560 5.673 -0.518) 6.246 5.828 ( 2.768 -2.640 2.394) 4.512 5.828 ( 2.768 2.640 2.394) 4.512 5.934 ( -3.995 -3.499 0.924) 5.390 5.934 ( -3.995 3.499 0.924) 5.390 6.157 ( -0.556 -7.133 -0.788) 7.198 6.157 ( -0.556 7.133 -0.788) 7.198 6.260 ( 1.162 -3.411 -0.154) 3.607 6.260 ( 1.162 3.411 -0.154) 3.607 6.523 ( -4.079 -0.107 2.276) 4.673 6.523 ( -4.079 0.107 2.276) 4.673 6.568 ( 4.172 -1.037 -0.925) 4.398 6.568 ( 4.172 1.037 -0.925) 4.398 6.892 ( -1.127 -5.646 0.970) 5.838 6.892 ( -1.127 5.646 0.970) 5.838 6.937 ( 1.348 -5.997 -1.144) 6.252 6.937 ( 1.348 5.997 -1.144) 6.252 8.276 ( 0.550 -6.166 0.686) 6.228 8.276 ( 0.550 6.166 0.686) 6.228 8.291 ( -0.471 -4.511 -0.748) 4.597 8.291 ( -0.471 4.511 -0.748) 4.597 8.677 ( 0.625 -0.886 -0.414) 1.161 8.677 ( 0.625 0.886 -0.414) 1.161 8.722 ( -0.715 -1.194 0.280) 1.420 8.722 ( -0.715 1.194 0.280) 1.420 8.948 ( -0.425 -0.899 -0.260) 1.028 8.948 ( -0.425 0.899 -0.260) 1.028 9.009 ( -0.280 -0.716 -0.685) 1.030 9.009 ( -0.280 0.716 -0.685) 1.030 9.161 ( -0.502 -4.167 3.298) 5.338 9.161 ( -0.502 4.167 3.298) 5.338 9.230 ( 0.840 -4.407 -3.352) 5.600 9.230 ( 0.840 4.407 -3.352) 5.600 9.796 ( 0.388 -1.758 1.616) 2.420 9.796 ( 0.388 1.758 1.616) 2.420 10.047 ( 0.185 -1.449 -1.178) 1.877 10.047 ( 0.185 1.449 -1.178) 1.877 10.239 ( -1.224 -1.942 -0.653) 2.386 10.239 ( -1.224 1.942 -0.653) 2.386 10.308 ( 1.087 -0.946 -0.599) 1.561 10.308 ( 1.087 0.946 -0.599) 1.561 10.643 ( -0.454 -3.405 1.806) 3.881 10.643 ( -0.454 3.405 1.806) 3.881 10.707 ( -0.213 -3.344 -1.871) 3.838 10.707 ( -0.213 3.344 -1.871) 3.838 11.211 ( 0.241 -1.943 0.004) 1.957 11.211 ( 0.241 1.943 0.004) 1.957 11.271 ( -0.045 -2.562 -0.260) 2.575 11.271 ( -0.045 2.562 -0.260) 2.575 11.967 ( -0.764 -1.587 1.215) 2.140 11.967 ( -0.764 1.587 1.215) 2.140 12.038 ( 0.086 -1.654 -1.130) 2.005 12.038 ( 0.086 1.654 -1.130) 2.005 12.218 ( -0.648 -1.518 1.303) 2.103 12.218 ( -0.648 1.518 1.303) 2.103 12.295 ( 1.112 -2.458 -1.205) 2.954 12.295 ( 1.112 2.458 -1.205) 2.954 12.683 ( -0.329 -2.406 0.263) 2.442 12.683 ( -0.329 2.406 0.263) 2.442 12.740 ( 0.349 -1.836 0.030) 1.869 12.740 ( 0.349 1.836 0.030) 1.869 13.237 ( 0.362 -0.138 0.055) 0.391 13.237 ( 0.362 0.138 0.055) 0.391 13.256 ( -0.335 -0.531 0.154) 0.646 13.256 ( -0.335 0.531 0.154) 0.646 14.242 ( -2.328 -0.741 1.378) 2.805 14.242 ( -2.328 0.741 1.378) 2.805 14.277 ( 2.708 -0.427 -2.164) 3.492 14.277 ( 2.708 0.427 -2.164) 3.492 14.485 ( -0.489 -2.017 0.541) 2.145 14.485 ( -0.489 2.017 0.541) 2.145 14.620 ( -0.152 -0.973 0.668) 1.190 14.620 ( -0.152 0.973 0.668) 1.190 14.774 ( 0.647 -5.928 1.994) 6.287 14.774 ( 0.647 5.928 1.994) 6.287 14.857 ( 0.198 -5.578 -3.736) 6.716 14.857 ( 0.198 5.578 -3.736) 6.716 15.386 ( -1.288 -10.904 3.846) 11.634 15.386 ( -1.288 10.904 3.846) 11.634 15.584 ( 1.426 -4.532 -2.740) 5.484 15.584 ( 1.426 4.532 -2.740) 5.484 15.672 ( 2.686 -1.433 -0.876) 3.168 15.672 ( 2.686 1.433 -0.876) 3.168 15.772 ( -2.119 -6.371 -3.983) 7.807 15.772 ( -2.119 6.371 -3.983) 7.807 16.290 ( -0.725 -0.136 0.709) 1.023 16.290 ( -0.725 0.136 0.709) 1.023 16.328 ( -0.452 -1.183 -0.452) 1.345 16.328 ( -0.452 1.183 -0.452) 1.345 17.149 ( 0.090 -0.126 0.033) 0.159 17.149 ( 0.090 0.126 0.033) 0.159 17.193 ( 0.102 -0.466 0.272) 0.549 17.193 ( 0.102 0.466 0.272) 0.549 19.608 ( 0.160 -1.049 -0.866) 1.369 19.608 ( 0.160 1.049 -0.866) 1.369 19.792 ( -0.267 -0.177 0.298) 0.437 19.792 ( -0.267 0.177 0.298) 0.437 20.607 ( -0.299 -0.361 0.584) 0.749 20.607 ( -0.299 0.361 0.584) 0.749 20.789 ( 0.195 -0.428 -0.392) 0.612 20.789 ( 0.195 0.428 -0.392) 0.612 21.617 ( 0.965 -0.989 0.235) 1.402 21.617 ( 0.965 0.989 0.235) 1.402 21.737 ( -0.760 -0.331 0.171) 0.847 21.737 ( -0.760 0.331 0.171) 0.847 22.878 ( 0.333 -0.468 -1.254) 1.380 22.878 ( 0.333 0.468 -1.254) 1.380 23.201 ( -0.613 -0.086 0.528) 0.814 23.201 ( -0.613 0.086 0.528) 0.814 26.537 ( -0.106 -0.064 -0.319) 0.342 26.537 ( -0.106 0.064 -0.319) 0.342 26.604 ( 0.227 -0.021 0.219) 0.316 26.604 ( 0.227 0.021 0.219) 0.316 29.453 ( -0.387 -1.429 1.749) 2.291 29.453 ( -0.387 1.429 1.749) 2.291 29.543 ( 1.045 -2.806 -1.689) 3.438 29.543 ( 1.045 2.806 -1.689) 3.438 30.058 ( -0.833 -12.071 8.858) 14.996 30.058 ( -0.833 12.071 8.858) 14.996 30.477 ( -1.911 -6.111 -6.767) 9.316 30.477 ( -1.911 6.111 -6.767) 9.316 30.593 ( 0.494 -0.500 -1.240) 1.425 30.593 ( 0.494 0.500 -1.240) 1.425 30.796 ( 1.410 -3.810 -3.306) 5.238 30.796 ( 1.410 3.810 -3.306) 5.238 31.687 ( -0.646 -8.427 5.365) 10.011 31.687 ( -0.646 8.427 5.365) 10.011 31.949 ( 2.398 -16.380 -16.988) 23.720 31.949 ( 2.398 16.380 -16.988) 23.720 32.119 ( 1.731 -1.552 1.060) 2.555 32.119 ( 1.731 1.552 1.060) 2.555 32.153 ( 0.186 -2.864 -2.263) 3.655 32.153 ( 0.186 2.864 -2.263) 3.655 32.280 ( -6.567 -0.410 -0.251) 6.584 32.280 ( -6.567 0.410 -0.251) 6.584 32.415 ( 2.739 -3.043 -5.110) 6.548 32.415 ( 2.739 3.043 -5.110) 6.548 33.443 ( -0.284 -0.385 1.356) 1.438 33.443 ( -0.284 0.385 1.356) 1.438 33.733 ( 0.047 -1.272 -3.966) 4.165 33.733 ( 0.047 1.272 -3.966) 4.165 34.859 ( 0.076 -0.669 1.442) 1.591 34.859 ( 0.076 0.669 1.442) 1.591 34.923 ( 0.803 -0.545 1.415) 1.716 34.923 ( 0.803 0.545 1.415) 1.716 35.340 ( 0.108 -1.095 -0.512) 1.214 35.340 ( 0.108 1.095 -0.512) 1.214 35.368 ( 0.654 -0.646 -0.516) 1.054 35.368 ( 0.654 0.646 -0.516) 1.054 35.642 ( 0.443 -1.757 8.129) 8.329 35.642 ( 0.443 1.757 8.129) 8.329 35.828 ( 0.010 -1.544 -7.071) 7.238 35.828 ( 0.010 1.544 -7.071) 7.238 37.375 ( -1.484 -17.533 19.284) 26.105 37.375 ( -1.484 17.533 19.284) 26.105 38.080 ( 0.347 -9.830 -7.055) 12.105 38.080 ( 0.347 9.830 -7.055) 12.105 ======================= Grid point 103 (57/63) ======================= q-point: ( 0.12 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 2.974 -9.885 6.613) 12.259 1.375 ( 2.974 9.885 6.613) 12.259 1.641 ( 7.603 -10.397 -7.390) 14.850 1.641 ( 7.603 10.397 -7.390) 14.850 1.907 ( 4.700 -9.121 -2.806) 10.638 1.907 ( 4.700 9.121 -2.806) 10.638 2.059 ( 3.619 -3.195 2.635) 5.500 2.059 ( 3.619 3.195 2.635) 5.500 2.345 ( -5.495 -8.602 -4.758) 11.262 2.345 ( -5.495 8.602 -4.758) 11.262 2.465 ( 0.318 -5.982 -1.079) 6.086 2.465 ( 0.318 5.982 -1.079) 6.086 2.611 ( 2.487 -0.706 3.290) 4.184 2.611 ( 2.487 0.706 3.290) 4.184 2.807 ( 1.688 -3.999 0.982) 4.450 2.807 ( 1.688 3.999 0.982) 4.450 2.916 ( 0.084 -5.251 -1.313) 5.414 2.916 ( 0.084 5.251 -1.313) 5.414 2.962 ( 0.543 -2.275 -2.118) 3.155 2.962 ( 0.543 2.275 -2.118) 3.155 3.096 ( 4.551 -6.255 13.418) 15.489 3.096 ( 4.551 6.255 13.418) 15.489 3.201 ( 6.769 -5.867 -8.928) 12.647 3.201 ( 6.769 5.867 -8.928) 12.647 3.388 ( 4.855 -1.615 1.014) 5.217 3.388 ( 4.855 1.615 1.014) 5.217 3.496 ( 3.813 -3.614 3.196) 6.149 3.496 ( 3.813 3.614 3.196) 6.149 3.687 ( 4.746 -3.135 -1.440) 5.867 3.687 ( 4.746 3.135 -1.440) 5.867 3.841 ( -5.684 -6.663 3.307) 9.362 3.841 ( -5.684 6.663 3.307) 9.362 3.941 ( -1.071 -6.879 -1.603) 7.144 3.941 ( -1.071 6.879 -1.603) 7.144 4.041 ( 2.285 -4.693 4.784) 7.080 4.041 ( 2.285 4.693 4.784) 7.080 4.219 ( -1.339 -5.085 2.988) 6.048 4.219 ( -1.339 5.085 2.988) 6.048 4.317 ( 3.265 -6.722 -11.154) 13.426 4.317 ( 3.265 6.722 -11.154) 13.426 4.484 ( -3.632 -4.614 -4.608) 7.464 4.484 ( -3.632 4.614 -4.608) 7.464 4.650 ( -0.031 -2.382 0.613) 2.459 4.650 ( -0.031 2.382 0.613) 2.459 4.735 ( -0.166 -3.853 3.103) 4.950 4.735 ( -0.166 3.853 3.103) 4.950 4.833 ( 1.707 -3.787 5.033) 6.526 4.833 ( 1.707 3.787 5.033) 6.526 5.037 ( -3.596 -3.046 -4.369) 6.427 5.037 ( -3.596 3.046 -4.369) 6.427 5.108 ( -0.411 -2.001 0.427) 2.087 5.108 ( -0.411 2.001 0.427) 2.087 5.233 ( 2.292 -3.629 1.161) 4.446 5.233 ( 2.292 3.629 1.161) 4.446 5.400 ( -1.697 -3.385 0.953) 3.904 5.400 ( -1.697 3.385 0.953) 3.904 5.485 ( -4.076 -1.716 0.530) 4.454 5.485 ( -4.076 1.716 0.530) 4.454 5.581 ( 0.114 -5.749 -3.523) 6.743 5.581 ( 0.114 5.749 -3.523) 6.743 5.800 ( -1.205 -1.407 -2.139) 2.829 5.800 ( -1.205 1.407 -2.139) 2.829 6.005 ( 4.153 -2.004 4.528) 6.463 6.005 ( 4.153 2.004 4.528) 6.463 6.113 ( -3.165 -2.775 0.325) 4.222 6.113 ( -3.165 2.775 0.325) 4.222 6.233 ( -3.087 -1.550 -1.297) 3.689 6.233 ( -3.087 1.550 -1.297) 3.689 6.479 ( -2.212 -1.632 1.385) 3.078 6.479 ( -2.212 1.632 1.385) 3.078 6.638 ( 4.586 -0.755 -1.703) 4.950 6.638 ( 4.586 0.755 -1.703) 4.950 6.826 ( -5.871 -6.810 0.366) 8.999 6.826 ( -5.871 6.810 0.366) 8.999 6.951 ( 0.197 -9.393 -0.985) 9.447 6.951 ( 0.197 9.393 -0.985) 9.447 8.111 ( -15.335 -5.570 -0.200) 16.316 8.111 ( -15.335 5.570 -0.200) 16.316 8.165 ( -12.724 -6.522 0.030) 14.298 8.165 ( -12.724 6.522 0.030) 14.298 8.700 ( 3.160 -5.313 -0.696) 6.221 8.700 ( 3.160 5.313 -0.696) 6.221 8.840 ( 7.346 -2.985 1.034) 7.997 8.840 ( 7.346 2.985 1.034) 7.997 8.936 ( -0.240 -0.997 0.874) 1.347 8.936 ( -0.240 0.997 0.874) 1.347 9.026 ( 2.106 -2.120 0.075) 2.989 9.026 ( 2.106 2.120 0.075) 2.989 9.195 ( 0.344 -2.656 1.514) 3.077 9.195 ( 0.344 2.656 1.514) 3.077 9.216 ( 2.252 -2.734 -1.793) 3.970 9.216 ( 2.252 2.734 -1.793) 3.970 9.795 ( -1.612 -1.992 -1.007) 2.754 9.795 ( -1.612 1.992 -1.007) 2.754 9.982 ( -6.478 -1.870 -0.378) 6.753 9.982 ( -6.478 1.870 -0.378) 6.753 10.168 ( -7.216 -2.811 2.074) 8.017 10.168 ( -7.216 2.811 2.074) 8.017 10.234 ( -6.163 -1.257 -1.145) 6.393 10.234 ( -6.163 1.257 -1.145) 6.393 10.621 ( -3.740 -2.805 0.451) 4.697 10.621 ( -3.740 2.805 0.451) 4.697 10.692 ( -0.923 -3.123 0.329) 3.273 10.692 ( -0.923 3.123 0.329) 3.273 11.277 ( 7.014 -2.926 -0.468) 7.615 11.277 ( 7.014 2.926 -0.468) 7.615 11.350 ( 8.410 -3.263 0.390) 9.029 11.350 ( 8.410 3.263 0.390) 9.029 11.999 ( 2.230 -3.753 1.377) 4.578 11.999 ( 2.230 3.753 1.377) 4.578 12.032 ( -0.179 -2.353 -0.475) 2.407 12.032 ( -0.179 2.353 -0.475) 2.407 12.199 ( -2.980 -1.936 0.688) 3.620 12.199 ( -2.980 1.936 0.688) 3.620 12.238 ( -4.069 -1.238 -1.558) 4.529 12.238 ( -4.069 1.238 -1.558) 4.529 12.689 ( 1.237 -2.158 0.467) 2.530 12.689 ( 1.237 2.158 0.467) 2.530 12.758 ( 1.264 -2.688 -0.375) 2.994 12.758 ( 1.264 2.688 -0.375) 2.994 13.306 ( 7.093 -3.385 0.041) 7.859 13.306 ( 7.093 3.385 0.041) 7.859 13.330 ( 7.248 -3.557 -0.048) 8.073 13.330 ( 7.248 3.557 -0.048) 8.073 14.160 ( -6.785 -2.047 1.151) 7.180 14.160 ( -6.785 2.047 1.151) 7.180 14.209 ( -7.582 -4.100 -1.374) 8.728 14.209 ( -7.582 4.100 -1.374) 8.728 14.491 ( 5.280 -4.138 0.626) 6.737 14.491 ( 5.280 4.138 0.626) 6.737 14.668 ( 0.261 -3.062 -0.899) 3.202 14.668 ( 0.261 3.062 -0.899) 3.202 14.926 ( 13.715 -6.715 1.209) 15.318 14.926 ( 13.715 6.715 1.209) 15.318 14.968 ( 12.227 -4.375 -1.270) 13.048 14.968 ( 12.227 4.375 -1.270) 13.048 15.396 ( -2.205 -5.598 2.053) 6.357 15.396 ( -2.205 5.598 2.053) 6.357 15.505 ( -6.898 -5.509 -2.602) 9.203 15.505 ( -6.898 5.509 -2.602) 9.203 15.652 ( 1.358 -4.003 -2.967) 5.165 15.652 ( 1.358 4.003 -2.967) 5.165 15.759 ( 1.116 -5.739 3.390) 6.758 15.759 ( 1.116 5.739 3.390) 6.758 16.318 ( 3.318 -0.883 -0.177) 3.438 16.318 ( 3.318 0.883 -0.177) 3.438 16.409 ( 6.284 -1.080 1.723) 6.605 16.409 ( 6.284 1.080 1.723) 6.605 17.144 ( -0.323 -0.543 -0.127) 0.645 17.144 ( -0.323 0.543 -0.127) 0.645 17.197 ( 0.369 -0.761 -0.254) 0.884 17.197 ( 0.369 0.761 -0.254) 0.884 19.617 ( 1.819 -0.459 -0.036) 1.876 19.617 ( 1.819 0.459 -0.036) 1.876 19.820 ( 3.170 -0.449 0.439) 3.232 19.820 ( 3.170 0.449 0.439) 3.232 20.559 ( -5.736 -1.634 0.412) 5.978 20.559 ( -5.736 1.634 0.412) 5.978 20.756 ( -3.496 -1.436 -0.273) 3.789 20.756 ( -3.496 1.436 -0.273) 3.789 21.677 ( 6.697 -0.360 -1.492) 6.870 21.677 ( 6.697 0.360 -1.492) 6.870 21.791 ( 5.724 -0.732 1.116) 5.878 21.791 ( 5.724 0.732 1.116) 5.878 22.836 ( -3.983 -1.766 -0.283) 4.367 22.836 ( -3.983 1.766 -0.283) 4.367 23.129 ( -8.200 -0.735 0.721) 8.264 23.129 ( -8.200 0.735 0.721) 8.264 26.663 ( 14.093 -1.092 0.332) 14.140 26.663 ( 14.093 1.092 0.332) 14.140 26.756 ( 16.271 -1.604 -0.180) 16.351 26.756 ( 16.271 1.604 -0.180) 16.351 29.277 ( -19.430 -7.203 0.443) 20.727 29.277 ( -19.430 7.203 0.443) 20.727 29.345 ( -17.473 -5.055 -1.109) 18.223 29.345 ( -17.473 5.055 -1.109) 18.223 30.257 ( 12.179 -7.145 -1.720) 14.224 30.257 ( 12.179 7.145 -1.720) 14.224 30.488 ( 4.927 -5.583 4.254) 8.576 30.488 ( 4.927 5.583 4.254) 8.576 30.634 ( 5.707 -1.460 0.411) 5.905 30.634 ( 5.707 1.460 0.411) 5.905 30.832 ( 5.675 -3.331 -1.420) 6.732 30.832 ( 5.675 3.331 -1.420) 6.732 31.711 ( -4.184 -10.582 -1.507) 11.478 31.711 ( -4.184 10.582 -1.507) 11.478 31.798 ( -6.484 -8.845 0.972) 11.011 31.798 ( -6.484 8.845 0.972) 11.011 32.022 ( -1.426 -5.964 2.339) 6.563 32.022 ( -1.426 5.964 2.339) 6.563 32.069 ( -5.479 -2.830 0.117) 6.168 32.069 ( -5.479 2.830 0.117) 6.168 32.450 ( 13.606 -0.664 3.712) 14.119 32.450 ( 13.606 0.664 3.712) 14.119 32.565 ( 14.316 -1.100 -1.495) 14.436 32.565 ( 14.316 1.100 -1.495) 14.436 33.429 ( -2.467 -0.339 -0.024) 2.490 33.429 ( -2.467 0.339 -0.024) 2.490 33.684 ( -3.390 -0.432 0.918) 3.538 33.684 ( -3.390 0.432 0.918) 3.538 34.819 ( -3.662 -1.745 -0.910) 4.158 34.819 ( -3.662 1.745 -0.910) 4.158 34.964 ( 2.577 -1.696 -0.988) 3.240 34.964 ( 2.577 1.696 -0.988) 3.240 35.355 ( 2.011 -2.964 -0.181) 3.586 35.355 ( 2.011 2.964 -0.181) 3.586 35.395 ( 3.167 -2.164 -0.779) 3.914 35.395 ( 3.167 2.164 -0.779) 3.914 35.707 ( 1.696 -0.354 -5.151) 5.435 35.707 ( 1.696 0.354 -5.151) 5.435 35.794 ( 1.557 -0.995 4.005) 4.411 35.794 ( 1.557 0.995 4.005) 4.411 37.410 ( -6.777 -3.061 -2.285) 7.780 37.410 ( -6.777 3.061 -2.285) 7.780 37.931 ( -12.044 -1.063 1.401) 12.171 37.931 ( -12.044 1.063 1.401) 12.171 ======================= Grid point 105 (58/63) ======================= q-point: ( 0.25 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 5.675 -7.344 -8.740) 12.749 1.494 ( 5.675 7.344 -8.740) 12.749 1.698 ( 12.374 -1.957 -4.537) 13.324 1.698 ( 12.374 1.957 -4.537) 13.324 1.984 ( 6.539 -12.953 0.346) 14.514 1.984 ( 6.539 12.953 0.346) 14.514 2.095 ( 1.646 -5.090 2.679) 5.983 2.095 ( 1.646 5.090 2.679) 5.983 2.347 ( -0.608 -5.669 -4.585) 7.316 2.347 ( -0.608 5.669 -4.585) 7.316 2.456 ( 5.070 -4.164 -1.455) 6.721 2.456 ( 5.070 4.164 -1.455) 6.721 2.659 ( 5.147 -4.923 0.796) 7.167 2.659 ( 5.147 4.923 0.796) 7.167 2.854 ( -4.213 -2.770 1.671) 5.312 2.854 ( -4.213 2.770 1.671) 5.312 2.885 ( 0.399 -2.861 -1.322) 3.177 2.885 ( 0.399 2.861 -1.322) 3.177 2.950 ( 0.866 -4.655 2.011) 5.144 2.950 ( 0.866 4.655 2.011) 5.144 3.124 ( 3.541 -3.881 -7.034) 8.780 3.124 ( 3.541 3.881 -7.034) 8.780 3.348 ( 6.113 -2.361 4.642) 8.030 3.348 ( 6.113 2.361 4.642) 8.030 3.500 ( 0.726 -3.726 -5.532) 6.709 3.500 ( 0.726 3.726 -5.532) 6.709 3.628 ( 6.955 -7.098 5.837) 11.525 3.628 ( 6.955 7.098 5.837) 11.525 3.771 ( 4.669 -3.091 -2.606) 6.177 3.771 ( 4.669 3.091 -2.606) 6.177 3.823 ( -0.775 -2.595 3.316) 4.282 3.823 ( -0.775 2.595 3.316) 4.282 3.916 ( 1.249 -2.602 -0.099) 2.888 3.916 ( 1.249 2.602 -0.099) 2.888 4.067 ( -3.171 -4.653 2.845) 6.308 4.067 ( -3.171 4.653 2.845) 6.308 4.208 ( 2.553 -5.633 -5.340) 8.171 4.208 ( 2.553 5.633 -5.340) 8.171 4.268 ( 1.501 -2.352 -0.130) 2.793 4.268 ( 1.501 2.352 -0.130) 2.793 4.462 ( 1.145 -6.845 3.138) 7.617 4.462 ( 1.145 6.845 3.138) 7.617 4.642 ( -0.565 -2.837 -2.918) 4.109 4.642 ( -0.565 2.837 -2.918) 4.109 4.764 ( -1.976 -0.139 1.256) 2.346 4.764 ( -1.976 0.139 1.256) 2.346 4.902 ( -1.376 -2.406 3.830) 4.727 4.902 ( -1.376 2.406 3.830) 4.727 4.963 ( 0.820 -1.056 0.725) 1.521 4.963 ( 0.820 1.056 0.725) 1.521 5.132 ( 0.036 -0.795 2.475) 2.600 5.132 ( 0.036 0.795 2.475) 2.600 5.238 ( -1.758 -7.161 1.791) 7.588 5.238 ( -1.758 7.161 1.791) 7.588 5.359 ( -2.938 -3.247 -0.513) 4.409 5.359 ( -2.938 3.247 -0.513) 4.409 5.435 ( -3.165 -2.832 1.715) 4.581 5.435 ( -3.165 2.832 1.715) 4.581 5.527 ( 0.096 -2.793 -2.322) 3.633 5.527 ( 0.096 2.793 -2.322) 3.633 5.800 ( 2.107 -0.960 -1.272) 2.642 5.800 ( 2.107 0.960 -1.272) 2.642 6.012 ( -4.449 -4.344 0.182) 6.220 6.012 ( -4.449 4.344 0.182) 6.220 6.132 ( -0.352 -1.844 -1.410) 2.348 6.132 ( -0.352 1.844 -1.410) 2.348 6.172 ( 1.496 -3.525 0.069) 3.830 6.172 ( 1.496 3.525 0.069) 3.830 6.502 ( 1.890 -2.506 2.652) 4.109 6.502 ( 1.890 2.506 2.652) 4.109 6.646 ( -2.787 -2.664 -2.441) 4.563 6.646 ( -2.787 2.664 -2.441) 4.563 6.756 ( -0.087 -1.865 0.802) 2.032 6.756 ( -0.087 1.865 0.802) 2.032 6.918 ( -1.766 -8.356 -1.169) 8.620 6.918 ( -1.766 8.356 -1.169) 8.620 7.814 ( -18.383 -5.519 0.971) 19.218 7.814 ( -18.383 5.519 0.971) 19.218 7.928 ( -13.211 -8.238 -0.797) 15.589 7.928 ( -13.211 8.238 -0.797) 15.589 8.736 ( 1.784 -4.966 -0.603) 5.311 8.736 ( 1.784 4.966 -0.603) 5.311 8.874 ( -2.725 -0.583 1.955) 3.404 8.874 ( -2.725 0.583 1.955) 3.404 9.013 ( 4.294 -1.186 0.377) 4.471 9.013 ( 4.294 1.186 0.377) 4.471 9.060 ( 1.733 -1.768 -0.217) 2.485 9.060 ( 1.733 1.768 -0.217) 2.485 9.239 ( 4.945 -1.556 -1.738) 5.467 9.239 ( 4.945 1.556 -1.738) 5.467 9.255 ( 2.522 -1.460 2.248) 3.680 9.255 ( 2.522 1.460 2.248) 3.680 9.703 ( -7.436 -1.166 -1.068) 7.602 9.703 ( -7.436 1.166 -1.068) 7.602 9.830 ( -8.767 -1.347 -1.443) 8.987 9.830 ( -8.767 1.347 -1.443) 8.987 10.028 ( -7.809 -5.858 -1.662) 9.903 10.028 ( -7.809 5.858 -1.662) 9.903 10.174 ( -2.908 -3.853 2.980) 5.673 10.174 ( -2.908 3.853 2.980) 5.673 10.556 ( -3.627 -3.779 0.755) 5.292 10.556 ( -3.627 3.779 0.755) 5.292 10.657 ( -3.001 -2.958 -0.349) 4.228 10.657 ( -3.001 2.958 -0.349) 4.228 11.419 ( 9.110 -0.597 -0.100) 9.130 11.419 ( 9.110 0.597 -0.100) 9.130 11.516 ( 8.674 -2.201 0.337) 8.955 11.516 ( 8.674 2.201 0.337) 8.955 12.000 ( -2.365 -2.390 -1.027) 3.516 12.000 ( -2.365 2.390 -1.027) 3.516 12.051 ( 1.313 -3.429 0.379) 3.691 12.051 ( 1.313 3.429 0.379) 3.691 12.142 ( -0.931 -3.408 -1.143) 3.713 12.142 ( -0.931 3.408 -1.143) 3.713 12.191 ( -1.436 -2.946 1.329) 3.537 12.191 ( -1.436 2.946 1.329) 3.537 12.721 ( 1.236 -2.221 -0.059) 2.542 12.721 ( 1.236 2.221 -0.059) 2.542 12.770 ( 0.492 -1.268 -0.131) 1.366 12.770 ( 0.492 1.268 -0.131) 1.366 13.439 ( 6.905 -3.353 0.007) 7.676 13.439 ( 6.905 3.353 0.007) 7.676 13.459 ( 6.752 -2.513 0.175) 7.207 13.459 ( 6.752 2.513 0.175) 7.207 14.080 ( -2.736 -2.204 0.628) 3.569 14.080 ( -2.736 2.204 0.628) 3.569 14.106 ( -1.214 -2.127 -0.762) 2.564 14.106 ( -1.214 2.127 -0.762) 2.564 14.581 ( 2.056 -9.042 -0.090) 9.273 14.581 ( 2.056 9.042 -0.090) 9.273 14.626 ( -3.289 -2.602 -1.013) 4.314 14.626 ( -3.289 2.602 -1.013) 4.314 15.107 ( 3.537 -2.478 0.523) 4.350 15.107 ( 3.537 2.478 0.523) 4.350 15.164 ( 7.474 -5.116 0.057) 9.058 15.164 ( 7.474 5.116 0.057) 9.058 15.356 ( -3.004 -1.001 -1.461) 3.488 15.356 ( -3.004 1.001 -1.461) 3.488 15.400 ( 1.195 -1.164 1.183) 2.045 15.400 ( 1.195 1.164 1.183) 2.045 15.696 ( 8.165 -1.005 -1.659) 8.393 15.696 ( 8.165 1.005 -1.659) 8.393 15.871 ( 5.194 -1.262 3.615) 6.453 15.871 ( 5.194 1.262 3.615) 6.453 16.360 ( 1.348 -0.702 -0.275) 1.545 16.360 ( 1.348 0.702 -0.275) 1.545 16.515 ( 1.250 -2.672 2.466) 3.845 16.515 ( 1.250 2.672 2.466) 3.845 17.148 ( 1.093 -0.795 -0.024) 1.352 17.148 ( 1.093 0.795 -0.024) 1.352 17.201 ( 0.529 -0.423 -0.489) 0.835 17.201 ( 0.529 0.423 -0.489) 0.835 19.684 ( 5.353 -1.344 1.083) 5.624 19.684 ( 5.353 1.344 1.083) 5.624 19.917 ( 6.808 -0.809 1.179) 6.956 19.917 ( 6.808 0.809 1.179) 6.956 20.433 ( -9.085 -1.690 0.358) 9.248 20.433 ( -9.085 1.690 0.358) 9.248 20.669 ( -6.049 -1.900 -0.002) 6.340 20.669 ( -6.049 1.900 -0.002) 6.340 21.812 ( 10.747 -0.642 -1.010) 10.814 21.812 ( 10.747 0.642 -1.010) 10.814 21.934 ( 8.926 -0.411 0.505) 8.950 21.934 ( 8.926 0.411 0.505) 8.950 22.739 ( -7.120 -3.247 0.232) 7.829 22.739 ( -7.120 3.247 0.232) 7.829 22.958 ( -11.147 -1.674 -0.249) 11.275 22.958 ( -11.147 1.674 -0.249) 11.275 26.970 ( 20.861 -3.691 -1.500) 21.238 26.970 ( 20.861 3.691 -1.500) 21.238 27.138 ( 23.748 -8.968 4.235) 25.735 27.138 ( 23.748 8.968 4.235) 25.735 28.912 ( -22.588 -7.752 1.326) 23.918 28.912 ( -22.588 7.752 1.326) 23.918 28.963 ( -23.571 -6.176 -1.890) 24.440 28.963 ( -23.571 6.176 -1.890) 24.440 30.421 ( 11.012 -7.356 -2.538) 13.484 30.421 ( 11.012 7.356 -2.538) 13.484 30.594 ( 4.309 -4.166 -0.183) 5.996 30.594 ( 4.309 4.166 -0.183) 5.996 30.818 ( 8.899 -7.179 3.610) 11.990 30.818 ( 8.899 7.179 3.610) 11.990 30.943 ( 7.008 -7.646 1.627) 10.499 30.943 ( 7.008 7.646 1.627) 10.499 31.523 ( -10.410 -4.915 -2.753) 11.836 31.523 ( -10.410 4.915 -2.753) 11.836 31.707 ( -9.970 -4.366 5.428) 12.162 31.707 ( -9.970 4.366 5.428) 12.162 32.032 ( 1.700 -4.393 0.059) 4.711 32.032 ( 1.700 4.393 0.059) 4.711 32.181 ( 4.776 -12.723 12.093) 18.192 32.181 ( 4.776 12.723 12.093) 18.192 32.730 ( 10.607 -1.682 6.114) 12.358 32.730 ( 10.607 1.682 6.114) 12.358 32.802 ( 14.040 -1.892 -1.057) 14.207 32.802 ( 14.040 1.892 -1.057) 14.207 33.364 ( -4.192 -1.551 -0.455) 4.493 33.364 ( -4.192 1.551 -0.455) 4.493 33.630 ( -6.702 -1.444 3.777) 7.828 33.630 ( -6.702 1.444 3.777) 7.828 34.744 ( -2.350 -1.349 -1.492) 3.093 34.744 ( -2.350 1.349 -1.492) 3.093 34.977 ( 2.046 -1.893 -3.335) 4.346 34.977 ( 2.046 1.893 -3.335) 4.346 35.397 ( 2.405 -4.042 0.448) 4.725 35.397 ( 2.405 4.042 0.448) 4.725 35.449 ( 3.480 -3.674 -0.122) 5.062 35.449 ( 3.480 3.674 -0.122) 5.062 35.655 ( 4.267 -1.196 -9.487) 10.471 35.655 ( 4.267 1.196 -9.487) 10.471 35.885 ( 0.792 -0.221 3.876) 3.963 35.885 ( 0.792 0.221 3.876) 3.963 37.144 ( -5.083 -14.927 -17.801) 23.780 37.144 ( -5.083 14.927 -17.801) 23.780 37.738 ( -17.443 -9.440 8.083) 21.417 37.738 ( -17.443 9.440 8.083) 21.417 ======================= Grid point 107 (59/63) ======================= q-point: ( 0.38 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 9.978 -8.365 0.118) 13.021 1.539 ( 9.978 8.365 0.118) 13.021 1.869 ( 8.779 -6.897 -5.011) 12.238 1.869 ( 8.779 6.897 -5.011) 12.237 1.991 ( -0.642 -2.186 -3.502) 4.178 1.991 ( -0.642 2.186 -3.502) 4.178 2.131 ( -1.021 -3.924 -8.451) 9.374 2.131 ( -1.021 3.924 -8.451) 9.374 2.306 ( 7.992 -4.828 1.033) 9.394 2.306 ( 7.992 4.828 1.033) 9.394 2.550 ( 3.524 -3.353 -0.955) 4.957 2.550 ( 3.524 3.353 -0.955) 4.957 2.709 ( -9.976 -0.332 0.222) 9.984 2.709 ( -9.976 0.332 0.222) 9.984 2.766 ( 2.816 -4.261 1.357) 5.285 2.766 ( 2.816 4.261 1.357) 5.285 2.888 ( 0.793 -3.861 -0.786) 4.019 2.888 ( 0.793 3.861 -0.786) 4.019 3.034 ( -3.180 -4.415 -1.813) 5.736 3.034 ( -3.180 4.415 -1.813) 5.736 3.142 ( 9.479 -1.536 2.348) 9.886 3.142 ( 9.479 1.536 2.348) 9.886 3.412 ( 2.611 -0.823 -4.946) 5.653 3.412 ( 2.611 0.823 -4.946) 5.653 3.514 ( 4.072 -4.589 0.703) 6.175 3.514 ( 4.072 4.589 0.703) 6.175 3.637 ( -0.637 -4.837 -3.605) 6.066 3.637 ( -0.637 4.837 -3.605) 6.066 3.751 ( 1.307 -1.792 -1.759) 2.831 3.751 ( 1.307 1.792 -1.759) 2.831 3.909 ( 0.658 -0.926 -4.195) 4.346 3.909 ( 0.658 0.926 -4.195) 4.346 3.950 ( 0.491 -1.547 6.319) 6.524 3.950 ( 0.491 1.547 6.319) 6.524 4.118 ( 1.738 -1.561 5.268) 5.763 4.118 ( 1.738 1.561 5.268) 5.763 4.220 ( 1.677 -3.257 0.621) 3.716 4.220 ( 1.677 3.257 0.621) 3.716 4.328 ( 3.740 -2.516 1.559) 4.769 4.328 ( 3.740 2.516 1.559) 4.769 4.442 ( -5.438 -6.184 -4.553) 9.410 4.442 ( -5.438 6.184 -4.553) 9.410 4.587 ( -0.492 -2.977 -1.492) 3.366 4.587 ( -0.492 2.977 -1.492) 3.366 4.724 ( -0.291 -3.277 0.872) 3.404 4.724 ( -0.291 3.277 0.872) 3.404 4.909 ( -1.818 -5.641 -0.598) 5.957 4.909 ( -1.818 5.641 -0.598) 5.957 4.993 ( -2.382 -2.738 3.855) 5.295 4.993 ( -2.382 2.738 3.855) 5.295 5.167 ( 2.682 -2.225 4.803) 5.934 5.167 ( 2.682 2.225 4.803) 5.934 5.297 ( -1.166 -2.307 -2.665) 3.712 5.297 ( -1.166 2.307 -2.665) 3.712 5.329 ( 3.513 -6.569 3.163) 8.094 5.329 ( 3.513 6.569 3.163) 8.094 5.406 ( -4.546 -1.349 5.219) 7.051 5.406 ( -4.546 1.349 5.219) 7.051 5.523 ( -0.245 -2.801 0.325) 2.831 5.523 ( -0.245 2.801 0.325) 2.831 5.819 ( 2.274 -2.085 -1.199) 3.310 5.819 ( 2.274 2.085 -1.199) 3.310 5.929 ( -4.472 -1.886 -0.320) 4.864 5.929 ( -4.472 1.886 -0.320) 4.864 6.091 ( 0.711 -2.667 -2.888) 3.995 6.091 ( 0.711 2.667 -2.888) 3.995 6.218 ( 2.933 -1.343 -2.078) 3.838 6.218 ( 2.933 1.343 -2.078) 3.838 6.533 ( -1.710 -0.804 -0.058) 1.890 6.533 ( -1.710 0.804 -0.058) 1.890 6.593 ( 0.040 -0.700 2.501) 2.598 6.593 ( 0.040 0.700 2.501) 2.598 6.793 ( 1.341 -2.514 0.036) 2.849 6.793 ( 1.341 2.514 0.036) 2.849 6.897 ( 1.252 -3.920 -0.952) 4.224 6.897 ( 1.252 3.920 -0.952) 4.224 7.553 ( -13.265 -5.402 3.383) 14.716 7.553 ( -13.265 5.402 3.383) 14.716 7.714 ( -9.372 -8.528 -1.426) 12.751 7.714 ( -9.372 8.528 -1.426) 12.751 8.746 ( 0.362 -2.759 -0.580) 2.842 8.746 ( 0.362 2.759 -0.580) 2.842 8.851 ( -2.159 -0.178 1.545) 2.661 8.851 ( -2.159 0.178 1.545) 2.661 9.049 ( 0.662 -1.508 0.230) 1.663 9.049 ( 0.662 1.508 0.230) 1.663 9.084 ( 1.154 -0.793 -0.351) 1.443 9.084 ( 1.154 0.793 -0.351) 1.443 9.292 ( 4.111 -1.845 -0.417) 4.525 9.292 ( 4.111 1.845 -0.417) 4.525 9.367 ( 5.521 -1.989 1.015) 5.956 9.367 ( 5.521 1.989 1.015) 5.956 9.539 ( -9.637 -0.226 0.028) 9.640 9.539 ( -9.637 0.226 0.028) 9.640 9.666 ( -7.598 -1.653 -1.835) 7.989 9.666 ( -7.598 1.653 -1.835) 7.989 9.926 ( -1.153 -3.229 -1.531) 3.755 9.926 ( -1.153 3.229 -1.531) 3.755 10.149 ( -3.306 -3.166 0.896) 4.664 10.149 ( -3.306 3.166 0.896) 4.664 10.531 ( -1.291 -3.917 1.814) 4.506 10.531 ( -1.291 3.917 1.814) 4.506 10.602 ( -1.787 -2.765 -1.024) 3.448 10.602 ( -1.787 2.765 -1.024) 3.448 11.555 ( 5.601 -1.113 0.291) 5.717 11.555 ( 5.601 1.113 0.291) 5.717 11.626 ( 3.987 -1.222 -0.115) 4.172 11.626 ( 3.987 1.222 -0.115) 4.172 11.951 ( -1.305 -1.628 -0.901) 2.273 11.951 ( -1.305 1.628 -0.901) 2.273 12.033 ( -1.387 -0.907 -1.813) 2.456 12.033 ( -1.387 0.907 -1.813) 2.456 12.145 ( 0.610 -1.416 0.654) 1.675 12.145 ( 0.610 1.416 0.654) 1.675 12.220 ( 2.249 -1.159 1.050) 2.739 12.220 ( 2.249 1.159 1.050) 2.739 12.721 ( -0.514 -2.568 -0.347) 2.642 12.721 ( -0.514 2.568 -0.347) 2.642 12.767 ( -0.745 -2.184 -0.038) 2.308 12.767 ( -0.745 2.184 -0.038) 2.308 13.519 ( 2.921 -3.194 -0.602) 4.370 13.519 ( 2.921 3.194 -0.602) 4.370 13.547 ( 2.926 -3.576 0.592) 4.659 13.547 ( 2.926 3.576 0.592) 4.659 14.107 ( 4.218 -3.647 0.468) 5.596 14.107 ( 4.218 3.647 0.468) 5.596 14.140 ( 5.051 -3.283 -0.453) 6.041 14.140 ( 5.051 3.283 -0.453) 6.041 14.531 ( -6.602 -1.937 0.201) 6.883 14.531 ( -6.602 1.937 0.201) 6.883 14.551 ( -3.251 -8.461 -1.355) 9.165 14.551 ( -3.251 8.461 -1.355) 9.165 15.094 ( -3.260 -3.697 0.564) 4.961 15.094 ( -3.260 3.697 0.564) 4.961 15.139 ( -4.752 -3.926 -0.778) 6.213 15.139 ( -4.752 3.926 -0.778) 6.213 15.406 ( 7.129 -2.513 -0.865) 7.608 15.406 ( 7.129 2.513 -0.865) 7.608 15.492 ( 4.530 -2.325 0.468) 5.114 15.492 ( 4.530 2.325 0.468) 5.114 15.858 ( 9.080 -0.877 0.897) 9.167 15.858 ( 9.080 0.877 0.897) 9.167 15.980 ( 3.648 -1.922 0.906) 4.221 15.980 ( 3.648 1.922 0.906) 4.221 16.365 ( -0.299 -0.381 0.502) 0.698 16.365 ( -0.299 0.381 0.502) 0.698 16.496 ( -4.710 -1.912 0.562) 5.114 16.496 ( -4.710 1.912 0.562) 5.114 17.169 ( 1.111 -1.204 -0.830) 1.837 17.169 ( 1.111 1.204 -0.830) 1.837 17.210 ( 0.873 -0.444 0.472) 1.087 17.210 ( 0.873 0.444 0.472) 1.087 19.816 ( 7.911 -2.014 0.968) 8.221 19.816 ( 7.911 2.014 0.968) 8.221 20.054 ( 5.607 -1.754 1.355) 6.029 20.054 ( 5.607 1.754 1.355) 6.029 20.273 ( -9.084 -0.809 0.506) 9.134 20.273 ( -9.084 0.809 0.506) 9.134 20.565 ( -5.690 -1.471 0.424) 5.893 20.565 ( -5.690 1.471 0.424) 5.893 22.009 ( 11.676 -0.589 0.406) 11.698 22.009 ( 11.676 0.589 0.406) 11.698 22.082 ( 7.332 -0.172 -0.439) 7.347 22.082 ( 7.332 0.172 -0.439) 7.347 22.607 ( -7.930 -3.400 0.275) 8.633 22.607 ( -7.930 3.400 0.275) 8.633 22.770 ( -9.169 -1.695 -0.724) 9.352 22.770 ( -9.169 1.695 -0.724) 9.352 27.325 ( 21.969 -5.805 -1.360) 22.764 27.325 ( 21.969 5.805 -1.360) 22.764 27.574 ( 17.840 -13.954 3.570) 22.928 27.574 ( 17.840 13.954 3.570) 22.928 28.512 ( -23.289 -6.022 -0.368) 24.058 28.512 ( -23.289 6.022 -0.368) 24.058 28.593 ( -17.354 -9.669 1.310) 19.908 28.593 ( -17.354 9.669 1.310) 19.908 30.569 ( 7.730 -4.676 -0.834) 9.073 30.569 ( 7.730 4.676 -0.834) 9.073 30.658 ( 4.395 -1.804 -1.610) 5.016 30.658 ( 4.395 1.804 -1.610) 5.016 30.955 ( 4.508 -3.244 1.094) 5.660 30.955 ( 4.508 3.244 1.094) 5.660 31.080 ( 4.074 -2.615 1.285) 5.009 31.080 ( 4.074 2.615 1.285) 5.009 31.341 ( -7.356 -4.247 0.159) 8.496 31.341 ( -7.356 4.247 0.159) 8.496 31.621 ( -6.877 -3.472 5.456) 9.440 31.621 ( -6.877 3.472 5.456) 9.440 32.105 ( 4.410 -5.194 2.799) 7.366 32.105 ( 4.410 5.194 2.799) 7.366 32.393 ( 1.065 -10.671 12.158) 16.212 32.393 ( 1.065 10.671 12.158) 16.212 32.878 ( 1.134 -1.226 -0.083) 1.672 32.878 ( 1.134 1.226 -0.083) 1.672 33.029 ( 12.913 -0.701 0.166) 12.933 33.029 ( 12.913 0.701 0.166) 12.933 33.295 ( -3.742 -3.645 1.061) 5.330 33.295 ( -3.742 3.645 1.061) 5.330 33.531 ( -9.462 -1.078 2.680) 9.893 33.531 ( -9.462 1.078 2.680) 9.893 34.731 ( 0.607 -0.966 2.098) 2.388 34.731 ( 0.607 0.966 2.098) 2.388 34.956 ( 1.384 -1.681 -4.700) 5.180 34.956 ( 1.384 1.681 -4.700) 5.180 35.438 ( 1.793 -2.950 0.087) 3.454 35.438 ( 1.793 2.950 0.087) 3.454 35.509 ( 2.593 -4.707 1.485) 5.576 35.509 ( 2.593 4.707 1.485) 5.576 35.626 ( 5.428 -2.384 -9.208) 10.952 35.626 ( 5.428 2.384 -9.208) 10.952 35.857 ( -3.834 -1.265 -4.395) 5.968 35.857 ( -3.834 1.265 -4.395) 5.968 36.985 ( 8.739 -11.559 -9.582) 17.373 36.985 ( 8.739 11.559 -9.582) 17.373 37.507 ( -18.783 -8.541 4.765) 21.177 37.507 ( -18.783 8.541 4.765) 21.177 ======================= Grid point 109 (60/63) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -2.004 -3.553 -0.714) 4.141 1.643 ( -2.004 3.553 -0.714) 4.141 1.856 ( -0.704 -3.477 -6.589) 7.484 1.856 ( -0.704 3.477 -6.589) 7.484 2.033 ( 7.157 -3.979 4.861) 9.523 2.033 ( 7.157 3.979 4.861) 9.523 2.134 ( 3.063 -7.381 -1.477) 8.126 2.134 ( 3.063 7.381 -1.477) 8.126 2.334 ( -3.924 -1.706 -2.845) 5.138 2.334 ( -3.924 1.706 -2.845) 5.138 2.496 ( -3.032 -5.076 -7.709) 9.715 2.496 ( -3.032 5.076 -7.709) 9.715 2.587 ( -2.384 -1.471 6.913) 7.459 2.587 ( -2.384 1.471 6.913) 7.459 2.762 ( -2.369 -3.008 -4.006) 5.541 2.762 ( -2.369 3.008 -4.006) 5.541 2.939 ( -2.557 -4.212 6.595) 8.232 2.939 ( -2.557 4.212 6.595) 8.232 2.986 ( 4.481 -7.535 3.331) 9.378 2.986 ( 4.481 7.535 3.331) 9.378 3.193 ( -2.294 -5.097 -11.752) 13.014 3.193 ( -2.294 5.097 -11.752) 13.014 3.406 ( 1.773 -3.853 0.531) 4.274 3.406 ( 1.773 3.853 0.531) 4.274 3.596 ( -0.048 -2.671 2.223) 3.475 3.596 ( -0.048 2.671 2.223) 3.475 3.642 ( 1.037 -0.740 -1.007) 1.623 3.642 ( 1.037 0.740 -1.007) 1.623 3.750 ( -0.927 -3.278 0.896) 3.523 3.750 ( -0.927 3.278 0.896) 3.523 3.900 ( 3.070 -0.931 -1.481) 3.533 3.900 ( 3.070 0.931 -1.481) 3.533 3.968 ( -1.007 -1.523 1.797) 2.562 3.968 ( -1.007 1.523 1.797) 2.562 4.169 ( -3.689 -4.524 -2.824) 6.484 4.169 ( -3.689 4.524 -2.824) 6.484 4.194 ( -2.347 -0.613 5.834) 6.318 4.194 ( -2.347 0.613 5.834) 6.318 4.320 ( 3.720 -1.314 -4.351) 5.873 4.320 ( 3.720 1.314 -4.351) 5.873 4.454 ( 4.341 -1.344 0.561) 4.578 4.454 ( 4.341 1.344 0.561) 4.578 4.528 ( -1.754 -1.914 -3.833) 4.629 4.528 ( -1.754 1.914 -3.833) 4.629 4.779 ( 0.529 -4.792 3.031) 5.694 4.779 ( 0.529 4.792 3.031) 5.694 4.874 ( -0.058 -4.352 0.047) 4.353 4.874 ( -0.058 4.352 0.047) 4.353 5.033 ( 0.646 -4.031 6.261) 7.475 5.033 ( 0.646 4.031 6.261) 7.475 5.169 ( -3.474 -3.241 -5.183) 7.031 5.169 ( -3.474 3.241 -5.183) 7.031 5.308 ( 1.536 -2.665 4.581) 5.518 5.308 ( 1.536 2.665 4.581) 5.518 5.339 ( -3.212 -5.412 1.554) 6.482 5.339 ( -3.212 5.412 1.554) 6.482 5.468 ( 2.603 -0.784 2.475) 3.676 5.468 ( 2.603 0.784 2.475) 3.676 5.517 ( 1.333 -2.713 -1.458) 3.356 5.517 ( 1.333 2.713 -1.458) 3.356 5.819 ( -3.049 -2.987 1.869) 4.660 5.819 ( -3.049 2.987 1.869) 4.660 5.901 ( 3.705 -1.495 -3.200) 5.119 5.901 ( 3.705 1.495 -3.200) 5.119 6.085 ( -0.094 -1.924 -0.308) 1.951 6.085 ( -0.094 1.924 -0.308) 1.951 6.193 ( -1.268 -0.688 -2.307) 2.722 6.193 ( -1.268 0.688 -2.307) 2.722 6.546 ( -0.694 -0.478 1.269) 1.523 6.546 ( -0.694 0.478 1.269) 1.523 6.619 ( 2.315 -0.745 0.094) 2.434 6.619 ( 2.315 0.745 0.094) 2.434 6.794 ( -0.870 -0.878 0.238) 1.259 6.794 ( -0.870 0.878 0.238) 1.259 6.897 ( -0.938 -0.395 -0.373) 1.084 6.897 ( -0.938 0.395 -0.373) 1.084 7.487 ( 0.457 -4.843 3.691) 6.106 7.487 ( 0.457 4.843 3.691) 6.106 7.607 ( 0.567 -5.422 -2.264) 5.902 7.607 ( 0.567 5.422 -2.264) 5.902 8.742 ( -0.091 -0.414 -0.252) 0.494 8.742 ( -0.091 0.414 -0.252) 0.494 8.844 ( -0.177 -0.626 0.758) 0.999 8.844 ( -0.177 0.626 0.758) 0.999 9.063 ( 0.079 -1.266 0.840) 1.521 9.063 ( 0.079 1.266 0.840) 1.521 9.087 ( 0.379 -2.181 -1.004) 2.430 9.087 ( 0.379 2.181 -1.004) 2.430 9.368 ( -1.176 -1.099 1.346) 2.098 9.368 ( -1.176 1.099 1.346) 2.098 9.400 ( -1.690 -1.022 0.230) 1.989 9.400 ( -1.690 1.022 0.230) 1.989 9.429 ( 1.635 -0.928 -1.044) 2.150 9.429 ( 1.635 0.928 -1.044) 2.150 9.576 ( 0.527 -0.428 -0.942) 1.161 9.576 ( 0.527 0.428 -0.942) 1.161 9.923 ( 0.812 -0.360 -0.817) 1.207 9.923 ( 0.812 0.360 -0.817) 1.207 10.106 ( -0.798 -0.857 0.146) 1.180 10.106 ( -0.798 0.857 0.146) 1.180 10.541 ( -0.575 -4.098 2.018) 4.604 10.541 ( -0.575 4.098 2.018) 4.604 10.579 ( 0.610 -3.464 -1.410) 3.789 10.579 ( 0.610 3.464 -1.410) 3.789 11.603 ( -0.038 -0.766 0.175) 0.787 11.603 ( -0.038 0.766 0.175) 0.787 11.660 ( -0.124 -0.594 0.041) 0.608 11.660 ( -0.124 0.594 0.041) 0.608 11.936 ( 0.055 -0.654 -0.368) 0.753 11.936 ( 0.055 0.654 -0.368) 0.753 11.994 ( -0.208 -0.875 -1.129) 1.443 11.994 ( -0.208 0.875 -1.129) 1.443 12.160 ( -0.092 -0.746 0.417) 0.860 12.160 ( -0.092 0.746 0.417) 0.860 12.254 ( 0.225 -0.758 0.225) 0.822 12.254 ( 0.225 0.758 0.225) 0.822 12.714 ( 0.006 -0.758 0.084) 0.763 12.714 ( 0.006 0.758 0.084) 0.763 12.754 ( 0.020 -0.629 -0.260) 0.681 12.754 ( 0.020 0.629 -0.260) 0.681 13.535 ( -0.251 -0.299 -0.230) 0.453 13.535 ( -0.251 0.299 -0.230) 0.453 13.578 ( 0.159 -0.642 0.194) 0.689 13.578 ( 0.159 0.642 0.194) 0.689 14.169 ( 0.070 -3.008 0.281) 3.022 14.169 ( 0.070 3.008 0.281) 3.022 14.201 ( 0.030 -1.757 -0.260) 1.777 14.201 ( 0.030 1.757 -0.260) 1.777 14.449 ( -1.343 -1.154 0.557) 1.856 14.449 ( -1.343 1.154 0.557) 1.856 14.503 ( 1.509 -1.748 -1.227) 2.615 14.503 ( 1.509 1.748 -1.227) 2.615 15.058 ( -0.761 -2.351 0.341) 2.494 15.058 ( -0.761 2.351 0.341) 2.494 15.089 ( 0.372 -2.309 -0.479) 2.387 15.089 ( 0.372 2.309 -0.479) 2.387 15.491 ( 0.416 -1.258 0.382) 1.379 15.491 ( 0.416 1.258 0.382) 1.379 15.514 ( -0.428 -1.562 -0.496) 1.694 15.514 ( -0.428 1.562 -0.496) 1.694 15.966 ( 1.319 -0.696 0.170) 1.501 15.966 ( 1.319 0.696 0.170) 1.501 16.012 ( -0.554 -0.502 0.140) 0.761 16.012 ( -0.554 0.502 0.140) 0.761 16.381 ( 0.073 -0.278 1.252) 1.285 16.381 ( 0.073 0.278 1.252) 1.285 16.425 ( -0.579 -0.707 -0.608) 1.097 16.425 ( -0.579 0.707 -0.608) 1.097 17.165 ( -0.222 -0.412 -0.503) 0.687 17.165 ( -0.222 0.412 -0.503) 0.687 17.230 ( 0.419 -0.265 0.183) 0.529 17.230 ( 0.419 0.265 0.183) 0.529 19.930 ( 0.763 -0.323 -0.100) 0.835 19.930 ( 0.763 0.323 -0.100) 0.835 20.082 ( 0.065 -0.329 0.261) 0.425 20.082 ( 0.065 0.329 0.261) 0.425 20.199 ( -1.637 -0.598 1.641) 2.394 20.199 ( -1.637 0.598 1.641) 2.394 20.517 ( 0.587 -0.872 0.090) 1.055 20.517 ( 0.587 0.872 0.090) 1.055 22.140 ( -0.947 -3.539 0.423) 3.688 22.140 ( -0.947 3.539 0.423) 3.688 22.154 ( 1.182 -3.481 -0.286) 3.688 22.154 ( 1.182 3.481 -0.286) 3.688 22.520 ( 0.464 -0.874 -0.304) 1.035 22.520 ( 0.464 0.874 -0.304) 1.035 22.669 ( -0.671 -0.624 -0.025) 0.917 22.669 ( -0.671 0.624 -0.025) 0.917 27.619 ( 2.055 -3.636 0.408) 4.197 27.619 ( 2.055 3.636 0.408) 4.197 27.691 ( -2.655 -4.254 -0.328) 5.025 27.691 ( -2.655 4.254 -0.328) 5.025 28.283 ( 0.373 -1.882 0.221) 1.931 28.283 ( 0.373 1.882 0.221) 1.931 28.432 ( 0.329 -2.202 1.329) 2.593 28.432 ( 0.329 2.202 1.329) 2.593 30.632 ( -0.349 -0.832 -0.081) 0.906 30.632 ( -0.349 0.832 -0.081) 0.906 30.688 ( 0.102 -0.520 -0.933) 1.073 30.688 ( 0.102 0.520 -0.933) 1.073 31.026 ( 1.159 -0.777 1.278) 1.892 31.026 ( 1.159 0.777 1.278) 1.892 31.068 ( -2.064 -1.228 -0.930) 2.576 31.068 ( -2.064 1.228 -0.930) 2.576 31.305 ( 0.875 -0.929 0.517) 1.377 31.305 ( 0.875 0.929 0.517) 1.377 31.620 ( 0.295 -0.950 3.080) 3.236 31.620 ( 0.295 0.950 3.080) 3.236 32.212 ( 0.198 -1.327 4.176) 4.386 32.212 ( 0.198 1.327 4.176) 4.386 32.511 ( 0.712 -2.213 7.013) 7.388 32.511 ( 0.712 2.213 7.013) 7.388 32.831 ( -2.104 -0.495 -2.859) 3.584 32.831 ( -2.104 0.495 -2.859) 3.584 33.158 ( 0.645 -0.245 -1.112) 1.309 33.158 ( 0.645 0.245 -1.112) 1.309 33.304 ( 0.298 -0.441 1.587) 1.674 33.304 ( 0.298 0.441 1.587) 1.674 33.417 ( -0.608 -0.077 0.998) 1.171 33.417 ( -0.608 0.077 0.998) 1.171 34.794 ( 0.483 -0.893 5.140) 5.239 34.794 ( 0.483 0.893 5.140) 5.239 34.911 ( 0.561 -1.009 -5.589) 5.707 34.911 ( 0.561 1.009 -5.589) 5.707 35.457 ( -0.006 -1.471 0.500) 1.553 35.457 ( -0.006 1.471 0.500) 1.553 35.552 ( 2.640 -2.340 -5.013) 6.130 35.552 ( 2.640 2.340 -5.013) 6.130 35.621 ( 2.205 -1.818 0.075) 2.859 35.621 ( 2.205 1.818 0.075) 2.859 35.716 ( -3.267 -1.330 -5.606) 6.624 35.716 ( -3.267 1.330 -5.606) 6.624 37.085 ( -5.412 -1.715 1.251) 5.814 37.085 ( -5.412 1.715 1.251) 5.814 37.297 ( 3.847 -2.912 -1.069) 4.942 37.297 ( 3.847 2.912 -1.069) 4.942 ======================= Grid point 111 (61/63) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -12.044 -9.868 0.939) 15.598 1.554 ( -12.044 9.868 0.939) 15.598 1.810 ( -0.302 -2.083 3.620) 4.187 1.810 ( -0.302 2.083 3.620) 4.187 1.833 ( -17.302 -5.528 -1.513) 18.227 1.833 ( -17.302 5.528 -1.513) 18.227 2.144 ( 1.623 -4.438 -4.053) 6.225 2.144 ( 1.623 4.438 -4.053) 6.225 2.339 ( 0.594 -4.128 -2.216) 4.723 2.339 ( 0.594 4.128 -2.216) 4.723 2.513 ( -3.597 -7.274 2.346) 8.447 2.513 ( -3.597 7.274 2.346) 8.447 2.642 ( 4.439 -2.029 7.419) 8.880 2.642 ( 4.439 2.029 7.419) 8.880 2.759 ( 2.669 -4.566 2.139) 5.705 2.759 ( 2.669 4.566 2.139) 5.705 2.921 ( -2.060 -4.611 1.388) 5.237 2.921 ( -2.060 4.611 1.388) 5.237 2.980 ( -4.752 -6.262 -6.329) 10.092 2.980 ( -4.752 6.262 -6.329) 10.092 3.180 ( 5.315 -4.538 5.928) 9.164 3.180 ( 5.315 4.538 5.928) 9.164 3.365 ( -3.323 -1.188 -2.329) 4.229 3.365 ( -3.323 1.188 -2.329) 4.229 3.525 ( -9.535 -5.619 -1.754) 11.205 3.525 ( -9.535 5.619 -1.754) 11.205 3.581 ( -3.896 -4.122 1.812) 5.954 3.581 ( -3.896 4.122 1.812) 5.954 3.696 ( -5.357 -3.358 1.338) 6.463 3.696 ( -5.357 3.358 1.338) 6.463 3.879 ( -2.594 -5.730 -0.852) 6.348 3.879 ( -2.594 5.730 -0.852) 6.348 4.041 ( 4.852 -4.430 -0.961) 6.640 4.041 ( 4.852 4.430 -0.961) 6.640 4.177 ( -2.358 -3.004 -0.133) 3.822 4.177 ( -2.358 3.004 -0.133) 3.822 4.257 ( 3.940 -5.832 5.178) 8.738 4.257 ( 3.940 5.832 5.178) 8.738 4.307 ( 3.536 -1.826 -4.151) 5.751 4.307 ( 3.536 1.826 -4.151) 5.751 4.400 ( -3.182 -5.153 -3.097) 6.802 4.400 ( -3.182 5.153 -3.097) 6.802 4.571 ( 4.677 -3.021 0.442) 5.586 4.571 ( 4.677 3.021 0.442) 5.586 4.790 ( -1.488 -5.013 -4.280) 6.757 4.790 ( -1.488 5.013 -4.280) 6.757 4.861 ( 1.097 -5.686 3.693) 6.868 4.861 ( 1.097 5.686 3.693) 6.868 5.081 ( -0.410 -1.869 -3.871) 4.318 5.081 ( -0.410 1.869 -3.871) 4.318 5.165 ( 2.675 -5.975 5.365) 8.464 5.165 ( 2.675 5.975 5.365) 8.464 5.262 ( -2.355 -6.288 0.230) 6.718 5.262 ( -2.355 6.288 0.230) 6.718 5.352 ( -2.846 -6.442 1.010) 7.115 5.352 ( -2.846 6.442 1.010) 7.115 5.514 ( -1.181 -0.449 -0.532) 1.371 5.514 ( -1.181 0.449 -0.532) 1.371 5.545 ( 7.172 -1.445 -5.063) 8.897 5.545 ( 7.172 1.445 -5.063) 8.897 5.798 ( -1.224 -1.741 1.129) 2.409 5.798 ( -1.224 1.741 1.129) 2.409 5.938 ( 3.853 -2.977 -1.642) 5.138 5.938 ( 3.853 2.977 -1.642) 5.138 6.048 ( -2.759 -1.735 1.039) 3.421 6.048 ( -2.759 1.735 1.039) 3.421 6.175 ( -1.038 -0.809 1.578) 2.055 6.175 ( -1.038 0.809 1.578) 2.055 6.517 ( -1.493 -0.529 1.170) 1.969 6.517 ( -1.493 0.529 1.170) 1.969 6.654 ( 1.080 -0.686 -2.773) 3.054 6.654 ( 1.080 0.686 -2.773) 3.054 6.786 ( -0.561 -0.378 0.735) 0.999 6.786 ( -0.561 0.378 0.735) 0.999 6.877 ( -0.925 -2.164 0.807) 2.488 6.877 ( -0.925 2.164 0.807) 2.488 7.613 ( 11.341 -3.027 -1.137) 11.793 7.613 ( 11.341 3.027 -1.137) 11.793 7.694 ( 10.563 -3.635 -0.259) 11.174 7.694 ( 10.563 3.635 -0.259) 11.174 8.740 ( -0.023 -2.235 0.024) 2.236 8.740 ( -0.023 2.235 0.024) 2.236 8.864 ( 1.594 -1.008 0.357) 1.920 8.864 ( 1.594 1.008 0.357) 1.920 9.059 ( -1.193 -1.103 0.107) 1.628 9.059 ( -1.193 1.103 0.107) 1.628 9.078 ( -0.470 -2.689 -0.730) 2.825 9.078 ( -0.470 2.689 -0.730) 2.825 9.277 ( -5.690 -1.728 1.148) 6.056 9.277 ( -5.690 1.728 1.148) 6.056 9.372 ( -3.781 -2.427 0.340) 4.506 9.372 ( -3.781 2.427 0.340) 4.506 9.554 ( 10.424 -0.491 -0.952) 10.479 9.554 ( 10.424 0.491 -0.952) 10.479 9.636 ( 6.220 -0.398 0.449) 6.248 9.636 ( 6.220 0.398 0.449) 6.248 9.914 ( 0.827 -4.055 -0.459) 4.164 9.914 ( 0.827 4.055 -0.459) 4.164 10.150 ( 4.224 -1.960 0.659) 4.703 10.150 ( 4.224 1.960 0.659) 4.703 10.557 ( 0.345 -2.717 0.329) 2.759 10.557 ( 0.345 2.717 0.329) 2.759 10.587 ( 2.325 -1.753 -0.460) 2.948 10.587 ( 2.325 1.753 -0.460) 2.948 11.561 ( -5.192 -0.849 -0.276) 5.268 11.561 ( -5.192 0.849 -0.276) 5.268 11.619 ( -4.648 -1.130 0.491) 4.808 11.619 ( -4.648 1.130 0.491) 4.808 11.938 ( 0.679 -0.732 0.258) 1.031 11.938 ( 0.679 0.732 0.258) 1.031 12.010 ( 2.042 -0.589 0.372) 2.157 12.010 ( 2.042 0.589 0.372) 2.157 12.150 ( -1.257 -0.541 0.130) 1.375 12.150 ( -1.257 0.541 0.130) 1.375 12.239 ( -1.072 -1.577 -0.619) 2.005 12.239 ( -1.072 1.577 -0.619) 2.005 12.714 ( -0.194 -2.912 0.206) 2.925 12.714 ( -0.194 2.912 0.206) 2.925 12.768 ( 1.281 -2.393 -0.130) 2.718 12.768 ( 1.281 2.393 -0.130) 2.718 13.508 ( -3.177 -4.512 0.462) 5.537 13.508 ( -3.177 4.512 0.462) 5.537 13.557 ( -2.632 -5.079 -0.317) 5.730 13.557 ( -2.632 5.079 -0.317) 5.730 14.113 ( -4.712 -2.456 0.070) 5.314 14.113 ( -4.712 2.456 0.070) 5.314 14.137 ( -4.469 -4.436 -0.236) 6.301 14.137 ( -4.469 4.436 -0.236) 6.301 14.500 ( 3.386 -4.954 1.601) 6.210 14.500 ( 3.386 4.954 1.601) 6.210 14.570 ( 6.482 -2.907 -1.691) 7.302 14.570 ( 6.482 2.907 -1.691) 7.302 15.086 ( 2.162 -4.526 1.176) 5.152 15.086 ( 2.162 4.526 1.176) 5.152 15.136 ( 5.613 -5.696 -0.492) 8.011 15.136 ( 5.613 5.696 -0.492) 8.011 15.396 ( -7.830 -2.110 0.014) 8.109 15.396 ( -7.830 2.110 0.014) 8.109 15.498 ( -3.811 -2.470 -0.069) 4.542 15.498 ( -3.811 2.470 -0.069) 4.542 15.885 ( -8.542 -0.987 -1.569) 8.741 15.885 ( -8.542 0.987 -1.569) 8.741 15.987 ( -2.453 -3.405 0.349) 4.211 15.987 ( -2.453 3.405 0.349) 4.211 16.377 ( 0.348 -0.137 -0.604) 0.710 16.377 ( 0.348 0.137 -0.604) 0.710 16.491 ( 4.808 -1.997 1.060) 5.313 16.491 ( 4.808 1.997 1.060) 5.313 17.156 ( -0.696 -0.341 0.339) 0.846 17.156 ( -0.696 0.341 0.339) 0.846 17.222 ( -0.914 -0.867 -0.613) 1.401 17.222 ( -0.914 0.867 -0.613) 1.401 19.836 ( -7.001 -2.357 -0.778) 7.427 19.836 ( -7.001 2.357 -0.778) 7.427 20.070 ( -5.669 -1.782 0.039) 5.943 20.070 ( -5.669 1.782 0.039) 5.943 20.264 ( 7.920 -0.878 1.332) 8.079 20.264 ( 7.920 0.878 1.332) 8.079 20.579 ( 6.033 -0.105 -0.744) 6.079 20.579 ( 6.033 0.105 -0.744) 6.079 22.023 ( -11.537 -2.194 -0.873) 11.777 22.023 ( -11.537 2.194 -0.873) 11.777 22.070 ( -7.622 -1.357 0.620) 7.767 22.070 ( -7.622 1.357 0.620) 7.767 22.621 ( 9.252 -2.230 -1.038) 9.574 22.621 ( 9.252 2.230 -1.038) 9.574 22.747 ( 7.731 -1.034 1.343) 7.915 22.747 ( 7.731 1.034 1.343) 7.915 27.311 ( -22.741 -5.428 0.077) 23.380 27.311 ( -22.741 5.428 0.077) 23.380 27.614 ( -15.130 -15.173 -0.114) 21.428 27.614 ( -15.130 15.173 -0.114) 21.428 28.503 ( 21.942 -4.664 0.478) 22.437 28.503 ( 21.942 4.664 0.478) 22.437 28.620 ( 17.360 -6.841 -1.096) 18.691 28.620 ( 17.360 6.841 -1.096) 18.691 30.557 ( -8.192 -3.634 0.372) 8.969 30.557 ( -8.192 3.634 0.372) 8.969 30.638 ( -4.423 -1.268 0.260) 4.609 30.638 ( -4.423 1.268 0.260) 4.609 30.960 ( -6.108 -0.601 0.454) 6.154 30.960 ( -6.108 0.601 0.454) 6.154 31.090 ( -0.593 -1.463 0.280) 1.603 31.090 ( -0.593 1.463 0.280) 1.603 31.356 ( 6.281 -4.241 -0.991) 7.643 31.356 ( 6.281 4.241 -0.991) 7.643 31.687 ( 5.780 -3.523 -1.031) 6.847 31.687 ( 5.780 3.523 -1.031) 6.847 32.156 ( -6.819 -7.663 -0.787) 10.287 32.156 ( -6.819 7.663 -0.787) 10.287 32.577 ( 0.120 -8.376 -4.211) 9.376 32.577 ( 0.120 8.376 -4.211) 9.376 32.827 ( 2.283 -2.493 4.520) 5.644 32.827 ( 2.283 2.493 4.520) 5.644 33.055 ( -9.341 -0.611 -1.525) 9.484 33.055 ( -9.341 0.611 -1.525) 9.484 33.316 ( 4.999 -5.692 0.349) 7.583 33.316 ( 4.999 5.692 0.349) 7.583 33.564 ( 10.620 -0.941 -0.265) 10.664 33.564 ( 10.620 0.941 -0.265) 10.664 34.825 ( -1.285 -0.398 -5.091) 5.265 34.825 ( -1.285 0.398 -5.091) 5.265 34.858 ( -0.607 -1.017 2.988) 3.214 34.858 ( -0.607 1.017 2.988) 3.214 35.452 ( -1.528 -0.620 0.259) 1.670 35.452 ( -1.528 0.620 0.259) 1.670 35.489 ( -1.911 -1.602 -2.562) 3.575 35.489 ( -1.911 1.602 -2.562) 3.575 35.599 ( -2.521 -2.970 -4.560) 5.997 35.599 ( -2.521 2.970 -4.560) 5.997 35.728 ( 2.985 -0.702 6.962) 7.608 35.728 ( 2.985 0.702 6.962) 7.608 36.830 ( -19.109 -9.990 5.066) 22.150 36.830 ( -19.109 9.990 5.066) 22.150 37.573 ( 20.683 -9.857 -1.679) 22.973 37.573 ( 20.683 9.857 -1.679) 22.973 ======================= Grid point 113 (62/63) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -11.526 -14.231 5.906) 19.241 1.322 ( -11.526 14.231 5.906) 19.241 1.582 ( -15.357 -12.009 6.483) 20.545 1.582 ( -15.357 12.009 6.483) 20.545 1.914 ( -6.313 -5.299 10.939) 13.697 1.914 ( -6.313 5.299 10.939) 13.697 2.112 ( 1.993 -9.726 -3.646) 10.577 2.112 ( 1.993 9.726 -3.646) 10.577 2.294 ( -0.025 -3.488 -2.391) 4.229 2.294 ( -0.025 3.488 -2.391) 4.229 2.484 ( -2.634 -11.586 0.106) 11.882 2.484 ( -2.634 11.586 0.106) 11.882 2.642 ( -6.221 -2.237 0.842) 6.665 2.642 ( -6.221 2.237 0.842) 6.665 2.820 ( 1.172 -2.108 1.440) 2.809 2.820 ( 1.172 2.108 1.440) 2.809 2.880 ( -1.886 -3.539 -0.060) 4.011 2.880 ( -1.886 3.539 -0.060) 4.011 2.971 ( -0.738 -2.560 0.051) 2.664 2.971 ( -0.738 2.560 0.051) 2.664 3.144 ( -4.269 -4.473 -6.407) 8.904 3.144 ( -4.269 4.473 -6.407) 8.904 3.361 ( 0.750 -4.247 2.200) 4.841 3.361 ( 0.750 4.247 2.200) 4.841 3.438 ( -3.990 -3.841 2.512) 6.081 3.438 ( -3.990 3.841 2.512) 6.081 3.529 ( -4.890 -7.302 10.274) 13.519 3.529 ( -4.890 7.302 10.274) 13.519 3.674 ( -1.321 -4.789 4.538) 6.729 3.674 ( -1.321 4.789 4.538) 6.729 3.862 ( -1.867 -3.823 0.922) 4.354 3.862 ( -1.867 3.823 0.922) 4.354 4.034 ( -1.278 -7.661 -4.316) 8.885 4.034 ( -1.278 7.661 -4.316) 8.885 4.112 ( -0.289 -5.336 -6.533) 8.440 4.112 ( -0.289 5.336 -6.533) 8.440 4.202 ( -1.968 -3.862 -1.201) 4.498 4.202 ( -1.968 3.862 -1.201) 4.498 4.280 ( -3.104 -2.957 -2.897) 5.174 4.280 ( -3.104 2.957 -2.897) 5.174 4.490 ( 3.891 -8.382 3.914) 10.035 4.490 ( 3.891 8.382 3.914) 10.035 4.603 ( -0.331 -2.319 -2.186) 3.204 4.603 ( -0.331 2.319 -2.186) 3.204 4.776 ( 5.397 -2.123 -0.231) 5.804 4.776 ( 5.397 2.123 -0.231) 5.804 4.929 ( 0.590 -3.230 1.171) 3.486 4.929 ( 0.590 3.230 1.171) 3.486 5.022 ( -1.270 -1.674 -4.500) 4.966 5.022 ( -1.270 1.674 -4.500) 4.966 5.173 ( -1.417 -3.339 0.212) 3.633 5.173 ( -1.417 3.339 0.212) 3.633 5.292 ( -0.208 -7.753 -3.353) 8.449 5.292 ( -0.208 7.753 -3.353) 8.449 5.334 ( 5.211 -0.527 1.399) 5.421 5.334 ( 5.211 0.527 1.399) 5.421 5.472 ( -1.726 -0.954 0.003) 1.972 5.472 ( -1.726 0.954 0.003) 1.972 5.542 ( 1.158 -3.025 -5.041) 5.992 5.542 ( 1.158 3.025 -5.041) 5.992 5.800 ( 0.259 -1.200 -1.234) 1.740 5.800 ( 0.259 1.200 -1.234) 1.740 5.977 ( -0.620 -4.732 3.286) 5.794 5.977 ( -0.620 4.732 3.286) 5.794 6.070 ( 1.642 -2.638 3.179) 4.445 6.070 ( 1.642 2.638 3.179) 4.445 6.187 ( 1.887 -3.801 -0.550) 4.279 6.187 ( 1.887 3.801 -0.550) 4.279 6.540 ( -0.652 -0.172 0.626) 0.920 6.540 ( -0.652 0.172 0.626) 0.920 6.608 ( -0.905 -2.093 -0.257) 2.294 6.608 ( -0.905 2.093 -0.257) 2.294 6.771 ( -0.105 -2.042 -0.594) 2.129 6.771 ( -0.105 2.042 -0.594) 2.129 6.907 ( 3.194 -6.327 -0.130) 7.089 6.907 ( 3.194 6.327 -0.130) 7.089 7.842 ( 16.688 -5.196 -1.562) 17.548 7.842 ( 16.688 5.196 -1.562) 17.548 7.913 ( 13.787 -6.113 0.573) 15.092 7.913 ( 13.787 6.113 0.573) 15.092 8.733 ( -0.885 -4.739 -0.294) 4.830 8.733 ( -0.885 4.739 -0.294) 4.830 8.895 ( 0.901 -0.762 0.266) 1.209 8.895 ( 0.901 0.762 0.266) 1.209 9.016 ( -3.964 -1.166 0.031) 4.132 9.016 ( -3.964 1.166 0.031) 4.132 9.063 ( -0.235 -2.979 -0.609) 3.050 9.063 ( -0.235 2.979 -0.609) 3.050 9.205 ( -5.522 -1.491 1.738) 5.978 9.205 ( -5.522 1.491 1.738) 5.978 9.298 ( -2.617 -0.315 -1.816) 3.201 9.298 ( -2.617 0.315 -1.816) 3.201 9.689 ( 5.209 -1.634 -0.030) 5.459 9.689 ( 5.209 1.634 -0.030) 5.459 9.796 ( 10.142 -1.527 1.725) 10.401 9.796 ( 10.142 1.527 1.725) 10.401 10.001 ( 8.896 -6.248 0.923) 10.910 10.001 ( 8.896 6.248 0.923) 10.910 10.223 ( 4.186 -3.091 -1.536) 5.426 10.223 ( 4.186 3.091 -1.536) 5.426 10.569 ( 1.769 -3.067 -0.456) 3.570 10.569 ( 1.769 3.067 -0.456) 3.570 10.650 ( 4.434 -2.200 0.371) 4.963 10.650 ( 4.434 2.200 0.371) 4.963 11.424 ( -9.191 -0.614 -0.551) 9.228 11.424 ( -9.191 0.614 -0.551) 9.228 11.514 ( -8.476 -2.368 0.533) 8.817 11.514 ( -8.476 2.368 0.533) 8.817 11.967 ( 0.791 -1.346 1.660) 2.279 11.967 ( 0.791 1.346 1.660) 2.279 12.056 ( 2.791 -1.121 0.323) 3.025 12.056 ( 2.791 1.121 0.323) 3.025 12.123 ( -2.079 -1.629 0.228) 2.651 12.123 ( -2.079 1.629 0.228) 2.651 12.228 ( 2.126 -2.935 -1.811) 4.052 12.228 ( 2.126 2.935 -1.811) 4.052 12.711 ( -1.074 -4.085 0.784) 4.296 12.711 ( -1.074 4.085 0.784) 4.296 12.773 ( -0.535 -3.124 -0.356) 3.190 12.773 ( -0.535 3.124 -0.356) 3.190 13.429 ( -6.843 -4.863 0.643) 8.420 13.429 ( -6.843 4.863 0.643) 8.420 13.471 ( -6.714 -6.574 -0.707) 9.423 13.471 ( -6.714 6.574 -0.707) 9.423 14.074 ( 0.887 -2.102 0.844) 2.433 14.074 ( 0.887 2.102 0.844) 2.433 14.113 ( 3.307 -5.726 -1.058) 6.696 14.113 ( 3.307 5.726 -1.058) 6.696 14.542 ( -1.999 -9.492 2.341) 9.979 14.542 ( -1.999 9.492 2.341) 9.979 14.643 ( 3.492 -0.950 -1.529) 3.929 14.643 ( 3.492 0.950 -1.529) 3.929 15.082 ( -7.565 -8.215 1.884) 11.325 15.082 ( -7.565 8.215 1.884) 11.325 15.195 ( -3.095 -6.908 -1.704) 7.759 15.195 ( -3.095 6.908 -1.704) 7.759 15.328 ( 2.806 -1.954 0.929) 3.543 15.328 ( 2.806 1.954 0.929) 3.543 15.421 ( -0.032 -0.287 -0.778) 0.829 15.421 ( -0.032 0.287 -0.778) 0.829 15.696 ( -9.453 -0.414 -1.206) 9.539 15.696 ( -9.453 0.414 -1.206) 9.539 15.934 ( -2.359 -2.090 -2.316) 3.911 15.934 ( -2.359 2.090 -2.316) 3.911 16.365 ( -1.232 -0.770 -0.694) 1.610 16.365 ( -1.232 0.770 -0.694) 1.610 16.550 ( -0.015 -5.118 -0.624) 5.156 16.550 ( -0.015 5.118 -0.624) 5.156 17.146 ( -0.766 -0.551 0.143) 0.955 17.146 ( -0.766 0.551 0.143) 0.955 17.197 ( -0.922 -0.938 -0.205) 1.331 17.197 ( -0.922 0.938 -0.205) 1.331 19.717 ( -4.689 -3.145 -1.813) 5.930 19.717 ( -4.689 3.145 -1.813) 5.930 19.939 ( -7.683 -1.871 -0.728) 7.941 19.939 ( -7.683 1.871 -0.728) 7.941 20.427 ( 8.393 -0.198 0.866) 8.440 20.427 ( 8.393 0.198 0.866) 8.440 20.679 ( 6.252 -0.933 -0.823) 6.375 20.679 ( 6.252 0.933 -0.823) 6.375 21.806 ( -11.353 -1.462 -0.481) 11.457 21.806 ( -11.353 1.462 -0.481) 11.457 21.933 ( -8.707 -0.543 0.603) 8.745 21.933 ( -8.707 0.543 0.603) 8.745 22.759 ( 8.309 -2.474 -1.766) 8.848 22.759 ( 8.309 2.474 -1.766) 8.848 22.932 ( 10.352 -1.532 2.299) 10.715 22.932 ( 10.352 1.532 2.299) 10.715 26.944 ( -19.867 -3.205 0.950) 20.147 26.944 ( -19.867 3.205 0.950) 20.147 27.230 ( -24.623 -14.700 -3.902) 28.941 27.230 ( -24.623 14.700 -3.902) 28.941 28.923 ( 22.539 -7.163 1.671) 23.709 28.923 ( 22.539 7.163 1.671) 23.709 28.945 ( 22.347 -5.031 -1.578) 22.961 28.945 ( 22.347 5.031 -1.578) 22.961 30.379 ( -13.145 -7.113 1.416) 15.013 30.379 ( -13.145 7.113 1.416) 15.013 30.574 ( -3.534 -2.784 1.183) 4.652 30.574 ( -3.534 2.784 1.183) 4.652 30.846 ( -7.758 -4.630 0.334) 9.041 30.846 ( -7.758 4.630 0.334) 9.041 31.012 ( -5.129 -7.477 -3.511) 9.723 31.012 ( -5.129 7.477 -3.511) 9.723 31.495 ( 9.042 -3.987 0.281) 9.886 31.495 ( 9.042 3.987 0.281) 9.886 31.787 ( 8.159 -2.998 -2.465) 9.036 31.787 ( 8.159 2.998 -2.465) 9.036 32.052 ( -2.174 -5.955 -1.149) 6.443 32.052 ( -2.174 5.955 -1.149) 6.443 32.434 ( -5.303 -6.348 -8.693) 12.000 32.434 ( -5.303 6.348 -8.693) 12.000 32.776 ( -13.910 -1.254 0.940) 13.998 32.776 ( -13.910 1.254 0.940) 13.998 32.953 ( 4.893 -9.480 -13.117) 16.908 32.953 ( 4.893 9.480 -13.117) 16.908 33.412 ( 7.475 -7.319 -6.813) 12.485 33.412 ( 7.475 7.319 -6.813) 12.485 33.710 ( 8.323 -1.411 -3.327) 9.073 33.710 ( 8.323 1.411 -3.327) 9.073 34.738 ( -0.584 -0.314 -2.320) 2.413 34.738 ( -0.584 0.314 -2.320) 2.413 34.888 ( -1.967 -1.446 4.851) 5.430 34.888 ( -1.967 1.446 4.851) 5.430 35.399 ( -2.830 -1.603 -0.447) 3.283 35.399 ( -2.830 1.603 -0.447) 3.283 35.464 ( -2.751 -4.133 0.499) 4.990 35.464 ( -2.751 4.133 0.499) 4.990 35.509 ( -3.546 -0.967 2.078) 4.222 35.509 ( -3.546 0.967 2.078) 4.222 35.880 ( 3.206 -1.492 5.650) 6.666 35.880 ( 3.206 1.492 5.650) 6.666 36.706 ( -10.158 -15.486 21.521) 28.392 36.706 ( -10.158 15.486 21.521) 28.392 37.878 ( 18.439 -11.251 -4.821) 22.132 37.878 ( 18.439 11.251 -4.821) 22.132 ======================= Grid point 115 (63/63) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -3.861 -19.995 9.045) 22.283 1.337 ( -3.861 19.995 9.045) 22.283 1.540 ( 0.507 -5.682 10.800) 12.214 1.540 ( 0.507 5.682 10.800) 12.214 1.807 ( -8.788 -3.755 1.851) 9.734 1.807 ( -8.788 3.755 1.851) 9.734 2.091 ( -5.059 -19.304 0.601) 19.965 2.091 ( -5.059 19.304 0.601) 19.965 2.324 ( 1.496 -6.768 4.545) 8.289 2.324 ( 1.496 6.768 4.545) 8.289 2.364 ( -5.751 -4.355 -4.797) 8.663 2.364 ( -5.751 4.355 -4.797) 8.663 2.589 ( -1.932 -2.474 2.139) 3.799 2.589 ( -1.932 2.474 2.139) 3.799 2.769 ( -7.026 -3.049 3.349) 8.359 2.769 ( -7.026 3.049 3.349) 8.359 2.897 ( 2.441 -4.132 1.151) 4.935 2.897 ( 2.441 4.132 1.151) 4.935 2.964 ( -0.220 -2.586 -0.260) 2.608 2.964 ( -0.220 2.586 -0.260) 2.608 3.071 ( -0.529 -3.639 -0.495) 3.711 3.071 ( -0.529 3.639 -0.495) 3.711 3.316 ( -2.400 -1.756 -0.473) 3.011 3.316 ( -2.400 1.756 -0.473) 3.011 3.427 ( -2.284 -1.716 -0.521) 2.904 3.427 ( -2.284 1.716 -0.521) 2.904 3.583 ( -5.111 -8.926 -0.456) 10.296 3.583 ( -5.111 8.926 -0.456) 10.296 3.645 ( -4.718 -5.807 0.141) 7.483 3.645 ( -4.718 5.807 0.141) 7.483 3.833 ( 1.122 -2.143 0.926) 2.590 3.833 ( 1.122 2.143 0.926) 2.590 3.966 ( 0.524 -5.815 -3.728) 6.927 3.966 ( 0.524 5.815 -3.728) 6.927 4.071 ( -1.803 -5.343 6.807) 8.839 4.071 ( -1.803 5.343 6.807) 8.839 4.161 ( -1.189 -4.315 -5.547) 7.128 4.161 ( -1.189 4.315 -5.547) 7.128 4.259 ( 1.811 -3.343 2.403) 4.498 4.259 ( 1.811 3.343 2.403) 4.498 4.498 ( 2.071 -6.705 -6.111) 9.306 4.498 ( 2.071 6.705 -6.111) 9.306 4.627 ( 2.169 -1.713 2.589) 3.787 4.627 ( 2.169 1.713 2.589) 3.787 4.828 ( 0.448 -2.662 -4.290) 5.068 4.828 ( 0.448 2.662 -4.290) 5.068 4.926 ( -1.350 -3.151 -1.657) 3.808 4.926 ( -1.350 3.151 -1.657) 3.808 4.968 ( 1.957 -1.649 0.323) 2.579 4.968 ( 1.957 1.649 0.323) 2.579 5.139 ( -0.152 -4.498 -2.264) 5.038 5.139 ( -0.152 4.498 -2.264) 5.038 5.270 ( -0.123 -5.741 -2.067) 6.103 5.270 ( -0.123 5.741 -2.067) 6.103 5.430 ( 0.295 -2.675 -0.241) 2.702 5.430 ( 0.295 2.675 -0.241) 2.702 5.459 ( 3.433 -2.626 0.905) 4.416 5.459 ( 3.433 2.626 0.905) 4.416 5.549 ( 3.361 -8.564 -0.877) 9.242 5.549 ( 3.361 8.564 -0.877) 9.242 5.775 ( -0.379 -0.950 -0.150) 1.033 5.775 ( -0.379 0.950 -0.150) 1.033 5.990 ( -4.366 -2.528 4.494) 6.756 5.990 ( -4.366 2.528 4.494) 6.756 6.139 ( 1.501 -4.544 2.185) 5.261 6.139 ( 1.501 4.544 2.185) 5.261 6.220 ( 4.315 -4.055 -2.590) 6.463 6.220 ( 4.315 4.055 -2.590) 6.463 6.506 ( 1.057 -0.785 -1.470) 1.973 6.506 ( 1.057 0.785 -1.470) 1.973 6.594 ( -4.501 -1.175 2.391) 5.230 6.594 ( -4.501 1.175 2.391) 5.230 6.825 ( 5.439 -4.044 0.401) 6.790 6.825 ( 5.439 4.044 0.401) 6.790 6.945 ( 1.175 -7.230 -0.719) 7.360 6.945 ( 1.175 7.230 -0.719) 7.360 8.112 ( 14.609 -6.264 -0.241) 15.897 8.112 ( 14.609 6.264 -0.241) 15.897 8.162 ( 13.475 -4.988 0.303) 14.372 8.162 ( 13.475 4.988 0.303) 14.372 8.698 ( -2.439 -6.056 -0.463) 6.545 8.698 ( -2.439 6.056 -0.463) 6.545 8.846 ( -8.396 -0.956 0.549) 8.468 8.846 ( -8.396 0.956 0.549) 8.468 8.959 ( -0.460 -1.429 -1.132) 1.880 8.959 ( -0.460 1.429 -1.132) 1.880 9.042 ( -1.029 -1.379 -1.481) 2.270 9.042 ( -1.029 1.379 -1.481) 2.270 9.148 ( -3.149 -3.254 2.962) 5.411 9.148 ( -3.149 3.254 2.962) 5.411 9.256 ( 0.211 -3.476 -2.469) 4.269 9.256 ( 0.211 3.476 -2.469) 4.269 9.756 ( 1.442 -1.885 2.254) 3.273 9.756 ( 1.442 1.885 2.254) 3.273 9.981 ( 8.454 -2.636 0.078) 8.856 9.981 ( 8.454 2.636 0.078) 8.856 10.184 ( 9.089 -6.125 0.537) 10.973 10.184 ( 9.089 6.125 0.537) 10.973 10.256 ( 3.751 -3.581 -3.055) 6.019 10.256 ( 3.751 3.581 -3.055) 6.019 10.610 ( 1.927 -2.742 1.144) 3.541 10.610 ( 1.927 2.742 1.144) 3.541 10.715 ( 2.816 -3.008 -1.487) 4.381 10.715 ( 2.816 3.008 -1.487) 4.381 11.271 ( -6.945 -3.592 0.008) 7.819 11.271 ( -6.945 3.592 0.008) 7.819 11.358 ( -8.538 -4.903 -0.289) 9.850 11.358 ( -8.538 4.903 -0.289) 9.850 11.980 ( -2.017 -1.016 1.933) 2.973 11.980 ( -2.017 1.016 1.933) 2.973 12.063 ( -0.449 -2.495 -2.232) 3.377 12.063 ( -0.449 2.495 -2.232) 3.377 12.161 ( 4.045 -2.172 2.800) 5.378 12.161 ( 4.045 2.172 2.800) 5.378 12.258 ( 3.614 -3.696 -1.985) 5.537 12.258 ( 3.614 3.696 -1.985) 5.537 12.693 ( -1.489 -3.271 0.234) 3.602 12.693 ( -1.489 3.271 0.234) 3.602 12.752 ( -1.289 -1.414 0.063) 1.914 12.752 ( -1.289 1.414 0.063) 1.914 13.304 ( -7.297 -1.161 0.163) 7.390 13.304 ( -7.297 1.161 0.163) 7.390 13.331 ( -7.412 -2.123 -0.168) 7.712 13.331 ( -7.412 2.123 -0.168) 7.712 14.161 ( 6.463 -1.616 1.138) 6.758 14.161 ( 6.463 1.616 1.138) 6.758 14.210 ( 8.465 -4.288 -1.624) 9.627 14.210 ( 8.465 4.288 -1.624) 9.627 14.490 ( -4.886 -9.956 0.775) 11.117 14.490 ( -4.886 9.956 0.775) 11.117 14.650 ( -1.129 -3.199 0.556) 3.438 14.650 ( -1.129 3.199 0.556) 3.438 14.905 ( -13.925 -6.213 1.657) 15.338 14.905 ( -13.925 6.213 1.657) 15.338 15.008 ( -10.386 -4.588 -3.209) 11.799 15.008 ( -10.386 4.588 -3.209) 11.799 15.380 ( -2.060 -8.309 2.594) 8.945 15.380 ( -2.060 8.309 2.594) 8.945 15.512 ( 9.518 -6.129 -2.519) 11.597 15.512 ( 9.518 6.129 -2.519) 11.597 15.617 ( 1.386 -1.161 0.654) 1.923 15.617 ( 1.386 1.161 0.654) 1.923 15.857 ( -0.460 -6.693 -5.864) 8.911 15.857 ( -0.460 6.693 -5.864) 8.911 16.319 ( -2.809 -1.064 -0.338) 3.023 16.319 ( -2.809 1.064 -0.338) 3.023 16.449 ( -8.353 -2.108 -2.052) 8.856 16.449 ( -8.353 2.108 -2.052) 8.856 17.142 ( 0.306 -0.270 0.068) 0.414 17.142 ( 0.306 0.270 0.068) 0.414 17.189 ( -0.284 -0.383 0.462) 0.663 17.189 ( -0.284 0.383 0.462) 0.663 19.636 ( -1.779 -2.214 -1.893) 3.413 19.636 ( -1.779 2.214 -1.893) 3.413 19.826 ( -4.140 -0.519 -0.182) 4.176 19.826 ( -4.140 0.519 -0.182) 4.176 20.556 ( 5.076 -0.657 0.703) 5.166 20.556 ( 5.076 0.657 0.703) 5.166 20.760 ( 3.804 -0.516 -0.558) 3.880 20.760 ( 3.804 0.516 -0.558) 3.880 21.653 ( -6.147 -1.147 0.787) 6.302 21.653 ( -6.147 1.147 0.787) 6.302 21.803 ( -6.296 -0.324 -0.034) 6.304 21.803 ( -6.296 0.324 -0.034) 6.304 22.852 ( 4.897 -0.997 -1.893) 5.344 22.852 ( 4.897 0.997 -1.893) 5.344 23.124 ( 8.060 -0.766 1.266) 8.194 23.124 ( 8.060 0.766 1.266) 8.194 26.666 ( -12.847 -1.353 0.059) 12.918 26.666 ( -12.847 1.353 0.059) 12.918 26.776 ( -19.463 -5.125 -2.082) 20.234 26.776 ( -19.463 5.125 -2.082) 20.234 29.282 ( 17.443 -4.941 0.043) 18.129 29.282 ( 17.443 4.941 0.043) 18.129 29.316 ( 19.064 -5.352 1.491) 19.857 29.316 ( 19.064 5.352 1.491) 19.857 30.161 ( -15.752 -10.717 4.941) 19.683 30.161 ( -15.752 10.717 4.941) 19.683 30.548 ( -1.121 -2.824 0.243) 3.048 30.548 ( -1.121 2.824 0.243) 3.048 30.698 ( -7.040 -3.701 -3.672) 8.760 30.698 ( -7.040 3.701 -3.672) 8.760 30.872 ( -3.642 -8.889 -5.233) 10.939 30.872 ( -3.642 8.889 -5.233) 10.939 31.625 ( 3.043 -5.361 2.833) 6.784 31.625 ( 3.043 5.361 2.833) 6.784 31.915 ( 11.166 -2.023 -2.995) 11.736 31.915 ( 11.166 2.023 -2.995) 11.736 32.078 ( 5.450 -3.430 -0.749) 6.483 32.078 ( 5.450 3.430 -0.749) 6.483 32.214 ( -3.544 -11.701 -13.225) 18.010 32.214 ( -3.544 11.701 -13.225) 18.010 32.522 ( -15.150 -0.394 -0.121) 15.156 32.522 ( -15.150 0.394 -0.121) 15.156 32.684 ( -6.807 -15.284 -23.713) 29.022 32.684 ( -6.807 15.284 -23.713) 29.022 33.423 ( 2.079 -2.291 -1.710) 3.535 33.423 ( 2.079 2.291 -1.710) 3.535 33.761 ( 4.121 -1.777 -5.538) 7.128 33.761 ( 4.121 1.777 -5.538) 7.128 34.783 ( 3.861 -0.488 2.549) 4.652 34.783 ( 3.861 0.488 2.549) 4.652 34.909 ( -2.103 -1.830 4.128) 4.981 34.909 ( -2.103 1.830 4.128) 4.981 35.359 ( -1.838 -2.391 0.221) 3.024 35.359 ( -1.838 2.391 0.221) 3.024 35.394 ( -2.731 -3.588 -0.972) 4.612 35.394 ( -2.731 3.588 -0.972) 4.612 35.546 ( -1.036 -1.325 7.684) 7.866 35.546 ( -1.036 1.325 7.684) 7.866 35.907 ( -0.214 -1.304 -4.084) 4.292 35.907 ( -0.214 1.304 -4.084) 4.292 37.023 ( 2.216 -23.635 32.866) 40.543 37.023 ( 2.216 23.635 32.866) 40.543 38.066 ( 11.934 -12.060 -7.891) 18.712 38.066 ( 11.934 12.060 -7.891) 18.712 =================== 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 3/34560 10.0 79.906 71.893 63.619 0.000 -2.848 0.000 3/34560 20.0 13.455 14.044 11.773 0.000 -0.042 0.000 3/34560 30.0 5.536 5.732 4.925 0.000 0.099 0.000 3/34560 40.0 3.229 3.288 2.900 0.000 0.097 0.000 3/34560 50.0 2.240 2.248 2.019 0.000 0.081 0.000 3/34560 60.0 1.718 1.700 1.546 0.000 0.068 0.000 3/34560 70.0 1.406 1.371 1.254 0.000 0.057 0.000 3/34560 80.0 1.202 1.153 1.058 0.000 0.049 0.000 3/34560 90.0 1.061 1.000 0.917 0.000 0.042 0.000 3/34560 100.0 0.959 0.888 0.811 0.000 0.037 0.000 3/34560 110.0 0.883 0.802 0.728 0.000 0.033 0.000 3/34560 120.0 0.824 0.734 0.662 0.000 0.030 0.000 3/34560 130.0 0.778 0.679 0.608 0.000 0.027 0.000 3/34560 140.0 0.741 0.634 0.562 0.000 0.025 0.000 3/34560 150.0 0.710 0.596 0.524 0.000 0.023 0.000 3/34560 160.0 0.685 0.564 0.492 0.000 0.021 0.000 3/34560 170.0 0.665 0.536 0.464 0.000 0.019 0.000 3/34560 180.0 0.647 0.512 0.439 0.000 0.018 0.000 3/34560 190.0 0.633 0.491 0.418 0.000 0.017 0.000 3/34560 200.0 0.620 0.471 0.400 0.000 0.016 0.000 3/34560 210.0 0.610 0.454 0.383 0.000 0.015 0.000 3/34560 220.0 0.601 0.439 0.369 0.000 0.014 0.000 3/34560 230.0 0.593 0.425 0.357 0.000 0.013 0.000 3/34560 240.0 0.586 0.412 0.346 0.000 0.012 0.000 3/34560 250.0 0.581 0.400 0.336 0.000 0.011 0.000 3/34560 260.0 0.576 0.390 0.327 0.000 0.010 0.000 3/34560 270.0 0.571 0.380 0.319 0.000 0.010 0.000 3/34560 280.0 0.567 0.370 0.313 0.000 0.009 0.000 3/34560 290.0 0.563 0.362 0.306 0.000 0.009 0.000 3/34560 300.0 0.560 0.354 0.301 0.000 0.008 0.000 3/34560 310.0 0.556 0.346 0.296 0.000 0.007 0.000 3/34560 320.0 0.553 0.339 0.292 0.000 0.007 0.000 3/34560 330.0 0.550 0.333 0.288 0.000 0.006 0.000 3/34560 340.0 0.547 0.326 0.284 0.000 0.006 0.000 3/34560 350.0 0.544 0.320 0.280 0.000 0.005 0.000 3/34560 360.0 0.541 0.315 0.277 0.000 0.005 0.000 3/34560 370.0 0.538 0.309 0.274 0.000 0.004 0.000 3/34560 380.0 0.535 0.304 0.272 0.000 0.004 0.000 3/34560 390.0 0.532 0.299 0.269 0.000 0.004 0.000 3/34560 400.0 0.528 0.294 0.267 0.000 0.003 0.000 3/34560 410.0 0.525 0.290 0.264 0.000 0.003 0.000 3/34560 420.0 0.522 0.285 0.262 0.000 0.003 0.000 3/34560 430.0 0.518 0.281 0.260 0.000 0.002 0.000 3/34560 440.0 0.515 0.277 0.258 0.000 0.002 0.000 3/34560 450.0 0.511 0.273 0.256 0.000 0.002 0.000 3/34560 460.0 0.508 0.269 0.254 0.000 0.001 0.000 3/34560 470.0 0.504 0.265 0.252 0.000 0.001 0.000 3/34560 480.0 0.500 0.262 0.250 0.000 0.001 0.000 3/34560 490.0 0.497 0.258 0.248 0.000 0.001 0.000 3/34560 500.0 0.493 0.255 0.246 0.000 0.000 0.000 3/34560 510.0 0.489 0.251 0.244 0.000 0.000 0.000 3/34560 520.0 0.485 0.248 0.242 0.000 -0.000 0.000 3/34560 530.0 0.481 0.245 0.240 0.000 -0.000 0.000 3/34560 540.0 0.478 0.242 0.238 0.000 -0.000 0.000 3/34560 550.0 0.474 0.239 0.237 0.000 -0.001 0.000 3/34560 560.0 0.470 0.236 0.235 0.000 -0.001 0.000 3/34560 570.0 0.466 0.233 0.233 0.000 -0.001 0.000 3/34560 580.0 0.462 0.230 0.231 0.000 -0.001 0.000 3/34560 590.0 0.458 0.227 0.229 0.000 -0.001 0.000 3/34560 600.0 0.455 0.225 0.228 0.000 -0.001 0.000 3/34560 610.0 0.451 0.222 0.226 0.000 -0.001 0.000 3/34560 620.0 0.447 0.220 0.224 0.000 -0.002 0.000 3/34560 630.0 0.443 0.217 0.222 0.000 -0.002 0.000 3/34560 640.0 0.439 0.214 0.220 0.000 -0.002 0.000 3/34560 650.0 0.436 0.212 0.219 0.000 -0.002 0.000 3/34560 660.0 0.432 0.210 0.217 0.000 -0.002 0.000 3/34560 670.0 0.428 0.207 0.215 0.000 -0.002 0.000 3/34560 680.0 0.425 0.205 0.214 0.000 -0.002 0.000 3/34560 690.0 0.421 0.203 0.212 0.000 -0.002 0.000 3/34560 700.0 0.417 0.201 0.210 0.000 -0.002 0.000 3/34560 710.0 0.414 0.198 0.209 0.000 -0.002 0.000 3/34560 720.0 0.410 0.196 0.207 0.000 -0.002 0.000 3/34560 730.0 0.407 0.194 0.205 0.000 -0.002 0.000 3/34560 740.0 0.403 0.192 0.204 0.000 -0.003 0.000 3/34560 750.0 0.400 0.190 0.202 0.000 -0.003 0.000 3/34560 760.0 0.396 0.188 0.201 0.000 -0.003 0.000 3/34560 770.0 0.393 0.186 0.199 0.000 -0.003 0.000 3/34560 780.0 0.390 0.184 0.197 0.000 -0.003 0.000 3/34560 790.0 0.386 0.183 0.196 0.000 -0.003 0.000 3/34560 800.0 0.383 0.181 0.194 0.000 -0.003 0.000 3/34560 810.0 0.380 0.179 0.193 0.000 -0.003 0.000 3/34560 820.0 0.377 0.177 0.191 0.000 -0.003 0.000 3/34560 830.0 0.374 0.176 0.190 0.000 -0.003 0.000 3/34560 840.0 0.371 0.174 0.188 0.000 -0.003 0.000 3/34560 850.0 0.367 0.172 0.187 0.000 -0.003 0.000 3/34560 860.0 0.364 0.171 0.185 0.000 -0.003 0.000 3/34560 870.0 0.361 0.169 0.184 0.000 -0.003 0.000 3/34560 880.0 0.358 0.167 0.183 0.000 -0.003 0.000 3/34560 890.0 0.356 0.166 0.181 0.000 -0.003 0.000 3/34560 900.0 0.353 0.164 0.180 0.000 -0.003 0.000 3/34560 910.0 0.350 0.163 0.178 0.000 -0.003 0.000 3/34560 920.0 0.347 0.161 0.177 0.000 -0.003 0.000 3/34560 930.0 0.344 0.160 0.176 0.000 -0.003 0.000 3/34560 940.0 0.341 0.158 0.174 0.000 -0.003 0.000 3/34560 950.0 0.339 0.157 0.173 0.000 -0.003 0.000 3/34560 960.0 0.336 0.156 0.172 0.000 -0.003 0.000 3/34560 970.0 0.333 0.154 0.171 0.000 -0.003 0.000 3/34560 980.0 0.331 0.153 0.169 0.000 -0.003 0.000 3/34560 990.0 0.328 0.152 0.168 0.000 -0.003 0.000 3/34560 1000.0 0.326 0.150 0.167 0.000 -0.003 0.000 3/34560 Thermal conductivity related properties were written into "kappa-m845.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:19:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|