----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:11:04]------------------------- 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: [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.231613990214110 0.000000000000000 0.000000000000000 b 0.000000000000000 9.161180369999999 0.000000000000000 c -1.556481501662904 0.000000000000000 8.124941287626195 Atomic positions (fractional): *1 Li 0.00544265771512 0.23355351600557 0.98150093183465 6.941 2 Li 0.99455734228488 0.73355351600557 0.51849906816535 6.941 3 Li 0.99455734228488 0.76644648399443 0.01849906816535 6.941 4 Li 0.00544265771512 0.26644648399443 0.48150093183465 6.941 *5 Li 0.22349153551620 0.47686326215534 0.88733658754210 6.941 6 Li 0.77650846448380 0.97686326215534 0.61266341245790 6.941 7 Li 0.77650846448380 0.52313673784466 0.11266341245790 6.941 8 Li 0.22349153551620 0.02313673784466 0.38733658754210 6.941 *9 Li 0.59114011379228 0.42660347683059 0.63232064366657 6.941 10 Li 0.40885988620772 0.92660347683059 0.86767935633343 6.941 11 Li 0.40885988620772 0.57339652316941 0.36767935633343 6.941 12 Li 0.59114011379228 0.07339652316941 0.13232064366657 6.941 *13 B 0.30160898290747 0.18588317593552 0.74549063251226 10.811 14 B 0.69839101709253 0.68588317593552 0.75450936748774 10.811 15 B 0.69839101709253 0.81411682406448 0.25450936748774 10.811 16 B 0.30160898290747 0.31411682406448 0.24549063251226 10.811 *17 O 0.47244067185302 0.13692671520738 0.90161657555065 15.999 18 O 0.52755932814698 0.63692671520738 0.59838342444935 15.999 19 O 0.52755932814698 0.86307328479262 0.09838342444935 15.999 20 O 0.47244067185302 0.36307328479262 0.40161657555065 15.999 *21 O 0.27340536883600 0.09339598287104 0.61078939956416 15.999 22 O 0.72659463116400 0.59339598287104 0.88921060043584 15.999 23 O 0.72659463116400 0.90660401712896 0.38921060043584 15.999 24 O 0.27340536883600 0.40660401712896 0.11078939956416 15.999 *25 O 0.13286454353323 0.32631378248137 0.72144955684836 15.999 26 O 0.86713545646677 0.82631378248137 0.77855044315164 15.999 27 O 0.86713545646677 0.67368621751863 0.27855044315164 15.999 28 O 0.13286454353323 0.17368621751863 0.22144955684836 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.231613990214110 0.000000000000000 0.000000000000000 b 0.000000000000000 9.161180369999999 0.000000000000000 c -1.556481501662904 0.000000000000000 8.124941287626195 Atomic positions (fractional): *1 Li 0.00544265771512 0.23355351600557 0.98150093183465 6.941 > 1 2 Li 0.99455734228488 0.73355351600557 0.51849906816535 6.941 > 2 3 Li 0.99455734228488 0.76644648399443 0.01849906816535 6.941 > 3 4 Li 0.00544265771512 0.26644648399443 0.48150093183465 6.941 > 4 *5 Li 0.22349153551620 0.47686326215534 0.88733658754210 6.941 > 5 6 Li 0.77650846448380 0.97686326215534 0.61266341245790 6.941 > 6 7 Li 0.77650846448380 0.52313673784466 0.11266341245790 6.941 > 7 8 Li 0.22349153551620 0.02313673784466 0.38733658754210 6.941 > 8 *9 Li 0.59114011379228 0.42660347683059 0.63232064366657 6.941 > 9 10 Li 0.40885988620772 0.92660347683059 0.86767935633343 6.941 > 10 11 Li 0.40885988620772 0.57339652316941 0.36767935633343 6.941 > 11 12 Li 0.59114011379228 0.07339652316941 0.13232064366657 6.941 > 12 *13 B 0.30160898290747 0.18588317593552 0.74549063251226 10.811 > 13 14 B 0.69839101709253 0.68588317593552 0.75450936748774 10.811 > 14 15 B 0.69839101709253 0.81411682406448 0.25450936748774 10.811 > 15 16 B 0.30160898290747 0.31411682406448 0.24549063251226 10.811 > 16 *17 O 0.47244067185302 0.13692671520738 0.90161657555065 15.999 > 17 18 O 0.52755932814698 0.63692671520738 0.59838342444935 15.999 > 18 19 O 0.52755932814698 0.86307328479262 0.09838342444935 15.999 > 19 20 O 0.47244067185302 0.36307328479262 0.40161657555065 15.999 > 20 *21 O 0.27340536883600 0.09339598287104 0.61078939956416 15.999 > 21 22 O 0.72659463116400 0.59339598287104 0.88921060043584 15.999 > 22 23 O 0.72659463116400 0.90660401712896 0.38921060043584 15.999 > 23 24 O 0.27340536883600 0.40660401712896 0.11078939956416 15.999 > 24 *25 O 0.13286454353323 0.32631378248137 0.72144955684836 15.999 > 25 26 O 0.86713545646677 0.82631378248137 0.77855044315164 15.999 > 26 27 O 0.86713545646677 0.67368621751863 0.27855044315164 15.999 > 27 28 O 0.13286454353323 0.17368621751863 0.22144955684836 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.694841970642329 0.000000000000000 0.000000000000000 b 0.000000000000000 9.161180369999999 0.000000000000000 c -1.556481501662904 0.000000000000000 8.124941287626195 Atomic positions (fractional): *1 Li 0.00181421923837 0.23355351600557 0.98150093183465 6.941 > 1 2 Li 0.33514755257171 0.23355351600557 0.98150093183465 6.941 > 1 3 Li 0.66848088590504 0.23355351600557 0.98150093183465 6.941 > 1 4 Li 0.33151911409496 0.73355351600557 0.51849906816535 6.941 > 2 5 Li 0.66485244742829 0.73355351600557 0.51849906816535 6.941 > 2 6 Li 0.99818578076163 0.73355351600557 0.51849906816535 6.941 > 2 7 Li 0.33151911409496 0.76644648399443 0.01849906816535 6.941 > 3 8 Li 0.66485244742829 0.76644648399443 0.01849906816535 6.941 > 3 9 Li 0.99818578076163 0.76644648399443 0.01849906816535 6.941 > 3 10 Li 0.00181421923837 0.26644648399443 0.48150093183465 6.941 > 4 11 Li 0.33514755257171 0.26644648399443 0.48150093183465 6.941 > 4 12 Li 0.66848088590504 0.26644648399443 0.48150093183465 6.941 > 4 *13 Li 0.07449717850540 0.47686326215534 0.88733658754210 6.941 > 5 14 Li 0.40783051183873 0.47686326215534 0.88733658754210 6.941 > 5 15 Li 0.74116384517207 0.47686326215534 0.88733658754210 6.941 > 5 16 Li 0.25883615482793 0.97686326215534 0.61266341245790 6.941 > 6 17 Li 0.59216948816127 0.97686326215534 0.61266341245790 6.941 > 6 18 Li 0.92550282149460 0.97686326215534 0.61266341245790 6.941 > 6 19 Li 0.25883615482793 0.52313673784466 0.11266341245790 6.941 > 7 20 Li 0.59216948816127 0.52313673784466 0.11266341245790 6.941 > 7 21 Li 0.92550282149460 0.52313673784466 0.11266341245790 6.941 > 7 22 Li 0.07449717850540 0.02313673784466 0.38733658754210 6.941 > 8 23 Li 0.40783051183873 0.02313673784466 0.38733658754210 6.941 > 8 24 Li 0.74116384517207 0.02313673784466 0.38733658754210 6.941 > 8 *25 Li 0.19704670459743 0.42660347683059 0.63232064366657 6.941 > 9 26 Li 0.53038003793076 0.42660347683059 0.63232064366657 6.941 > 9 27 Li 0.86371337126409 0.42660347683059 0.63232064366657 6.941 > 9 28 Li 0.13628662873591 0.92660347683059 0.86767935633343 6.941 > 10 29 Li 0.46961996206924 0.92660347683059 0.86767935633343 6.941 > 10 30 Li 0.80295329540257 0.92660347683059 0.86767935633343 6.941 > 10 31 Li 0.13628662873591 0.57339652316941 0.36767935633343 6.941 > 11 32 Li 0.46961996206924 0.57339652316941 0.36767935633343 6.941 > 11 33 Li 0.80295329540257 0.57339652316941 0.36767935633343 6.941 > 11 34 Li 0.19704670459743 0.07339652316941 0.13232064366657 6.941 > 12 35 Li 0.53038003793076 0.07339652316941 0.13232064366657 6.941 > 12 36 Li 0.86371337126409 0.07339652316941 0.13232064366657 6.941 > 12 *37 B 0.10053632763582 0.18588317593552 0.74549063251226 10.811 > 13 38 B 0.43386966096916 0.18588317593552 0.74549063251226 10.811 > 13 39 B 0.76720299430249 0.18588317593552 0.74549063251226 10.811 > 13 40 B 0.23279700569751 0.68588317593552 0.75450936748774 10.811 > 14 41 B 0.56613033903084 0.68588317593552 0.75450936748774 10.811 > 14 42 B 0.89946367236418 0.68588317593552 0.75450936748774 10.811 > 14 43 B 0.23279700569751 0.81411682406448 0.25450936748774 10.811 > 15 44 B 0.56613033903084 0.81411682406448 0.25450936748774 10.811 > 15 45 B 0.89946367236418 0.81411682406448 0.25450936748774 10.811 > 15 46 B 0.10053632763582 0.31411682406448 0.24549063251226 10.811 > 16 47 B 0.43386966096916 0.31411682406448 0.24549063251226 10.811 > 16 48 B 0.76720299430249 0.31411682406448 0.24549063251226 10.811 > 16 *49 O 0.15748022395101 0.13692671520738 0.90161657555065 15.999 > 17 50 O 0.49081355728434 0.13692671520738 0.90161657555065 15.999 > 17 51 O 0.82414689061767 0.13692671520738 0.90161657555065 15.999 > 17 52 O 0.17585310938233 0.63692671520738 0.59838342444935 15.999 > 18 53 O 0.50918644271566 0.63692671520738 0.59838342444935 15.999 > 18 54 O 0.84251977604899 0.63692671520738 0.59838342444935 15.999 > 18 55 O 0.17585310938233 0.86307328479262 0.09838342444935 15.999 > 19 56 O 0.50918644271566 0.86307328479262 0.09838342444935 15.999 > 19 57 O 0.84251977604899 0.86307328479262 0.09838342444935 15.999 > 19 58 O 0.15748022395101 0.36307328479262 0.40161657555065 15.999 > 20 59 O 0.49081355728434 0.36307328479262 0.40161657555065 15.999 > 20 60 O 0.82414689061767 0.36307328479262 0.40161657555065 15.999 > 20 *61 O 0.09113512294533 0.09339598287104 0.61078939956416 15.999 > 21 62 O 0.42446845627867 0.09339598287104 0.61078939956416 15.999 > 21 63 O 0.75780178961200 0.09339598287104 0.61078939956416 15.999 > 21 64 O 0.24219821038800 0.59339598287104 0.88921060043584 15.999 > 22 65 O 0.57553154372133 0.59339598287104 0.88921060043584 15.999 > 22 66 O 0.90886487705467 0.59339598287104 0.88921060043584 15.999 > 22 67 O 0.24219821038800 0.90660401712896 0.38921060043584 15.999 > 23 68 O 0.57553154372133 0.90660401712896 0.38921060043584 15.999 > 23 69 O 0.90886487705467 0.90660401712896 0.38921060043584 15.999 > 23 70 O 0.09113512294533 0.40660401712896 0.11078939956416 15.999 > 24 71 O 0.42446845627867 0.40660401712896 0.11078939956416 15.999 > 24 72 O 0.75780178961200 0.40660401712896 0.11078939956416 15.999 > 24 *73 O 0.04428818117774 0.32631378248137 0.72144955684836 15.999 > 25 74 O 0.37762151451108 0.32631378248137 0.72144955684836 15.999 > 25 75 O 0.71095484784441 0.32631378248137 0.72144955684836 15.999 > 25 76 O 0.28904515215559 0.82631378248137 0.77855044315164 15.999 > 26 77 O 0.62237848548892 0.82631378248137 0.77855044315164 15.999 > 26 78 O 0.95571181882226 0.82631378248137 0.77855044315164 15.999 > 26 79 O 0.28904515215559 0.67368621751863 0.27855044315164 15.999 > 27 80 O 0.62237848548892 0.67368621751863 0.27855044315164 15.999 > 27 81 O 0.95571181882226 0.67368621751863 0.27855044315164 15.999 > 27 82 O 0.04428818117774 0.17368621751863 0.22144955684836 15.999 > 28 83 O 0.37762151451108 0.17368621751863 0.22144955684836 15.999 > 28 84 O 0.71095484784441 0.17368621751863 0.22144955684836 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5665259 0.0000000 0.0210254 0.0000000 2.7092052 0.0000000 0.0210269 0.0000000 2.8145013 -------------------------- Born effective charges -------------------------- 1 Li 0.9915975 0.0361798 -0.0268008 0.0240519 0.8059052 0.0997724 -0.0031776 0.1132737 1.1547805 2 Li 0.9915975 -0.0361798 -0.0268008 -0.0240519 0.8059052 -0.0997724 -0.0031776 -0.1132737 1.1547805 3 Li 0.9915975 0.0361798 -0.0268008 0.0240519 0.8059052 0.0997724 -0.0031776 0.1132737 1.1547805 4 Li 0.9915975 -0.0361798 -0.0268008 -0.0240519 0.8059052 -0.0997724 -0.0031776 -0.1132737 1.1547805 5 Li 0.9506439 -0.0218772 -0.0353168 -0.0143962 1.0591239 -0.0054207 -0.0157200 -0.0781027 1.0016676 6 Li 0.9506439 0.0218772 -0.0353168 0.0143962 1.0591239 0.0054207 -0.0157200 0.0781027 1.0016676 7 Li 0.9506439 -0.0218772 -0.0353168 -0.0143962 1.0591239 -0.0054207 -0.0157200 -0.0781027 1.0016676 8 Li 0.9506439 0.0218772 -0.0353168 0.0143962 1.0591239 0.0054207 -0.0157200 0.0781027 1.0016676 9 Li 0.9404622 0.0012291 0.0289889 0.0048543 1.1359305 0.0276096 0.0092697 0.1070504 1.0816220 10 Li 0.9404622 -0.0012291 0.0289889 -0.0048543 1.1359305 -0.0276096 0.0092697 -0.1070504 1.0816220 11 Li 0.9404622 0.0012291 0.0289889 0.0048543 1.1359305 0.0276096 0.0092697 0.1070504 1.0816220 12 Li 0.9404622 -0.0012291 0.0289889 -0.0048543 1.1359305 -0.0276096 0.0092697 -0.1070504 1.0816220 13 B 0.9759630 -0.5932723 0.2692471 -0.5399706 2.1609964 0.1399021 0.2336853 0.0874740 2.4436748 14 B 0.9759630 0.5932723 0.2692471 0.5399706 2.1609964 -0.1399021 0.2336853 -0.0874740 2.4436748 15 B 0.9759630 -0.5932723 0.2692471 -0.5399706 2.1609964 0.1399021 0.2336853 0.0874740 2.4436748 16 B 0.9759630 0.5932723 0.2692471 0.5399706 2.1609964 -0.1399021 0.2336853 -0.0874740 2.4436748 17 O -1.2553581 0.1090877 -0.2246307 0.1276135 -1.3667807 0.1925123 -0.2099727 0.2514558 -2.2319995 18 O -1.2553581 -0.1090877 -0.2246307 -0.1276135 -1.3667807 -0.1925123 -0.2099727 -0.2514558 -2.2319995 19 O -1.2553581 0.1090877 -0.2246307 0.1276135 -1.3667807 0.1925123 -0.2099727 0.2514558 -2.2319995 20 O -1.2553581 -0.1090877 -0.2246307 -0.1276135 -1.3667807 -0.1925123 -0.2099727 -0.2514558 -2.2319995 21 O -1.1944547 0.1101441 0.0524514 0.0865575 -1.7130050 -0.4498643 0.0153995 -0.4509954 -1.9961269 22 O -1.1944547 -0.1101441 0.0524514 -0.0865575 -1.7130050 0.4498643 0.0153995 0.4509954 -1.9961269 23 O -1.1944547 0.1101441 0.0524514 0.0865575 -1.7130050 -0.4498643 0.0153995 -0.4509954 -1.9961269 24 O -1.1944547 -0.1101441 0.0524514 -0.0865575 -1.7130050 0.4498643 0.0153995 0.4509954 -1.9961269 25 O -1.4088538 0.3440915 -0.0639391 0.3438022 -2.0821703 0.0651366 -0.0294841 0.0974385 -1.4536186 26 O -1.4088538 -0.3440915 -0.0639391 -0.3438022 -2.0821703 -0.0651366 -0.0294841 -0.0974385 -1.4536186 27 O -1.4088538 0.3440915 -0.0639391 0.3438022 -2.0821703 0.0651366 -0.0294841 0.0974385 -1.4536186 28 O -1.4088538 -0.3440915 -0.0639391 -0.3438022 -2.0821703 -0.0651366 -0.0294841 -0.0974385 -1.4536186 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2730 Number of blocks in projector: 2730 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: 588 Use submatrix version of eigh solver. (1) Block: 588 / 588 (2) Block: 250 / 588 (2) 236 eigenvectors found. (2) Block: 500 / 588 (2) 238 eigenvectors found. (2) Block: 588 / 588 (2) 74 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 588 Use submatrix version of eigh solver. (1) Block: 588 / 588 (2) Block: 250 / 588 (2) 236 eigenvectors found. (2) Block: 500 / 588 (2) 238 eigenvectors found. (2) Block: 588 / 588 (2) 74 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 588 Use submatrix version of eigh solver. (1) Block: 588 / 588 (2) Block: 250 / 588 (2) 237 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 83 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 322 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 322 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 322 Use standard eigh solver. Tree of FC basis block matrices: - (2730, 2668), data: False |-- (322, 315), data: True |-- (322, 315), data: True |-- (322, 315), data: True |-- (588, 575), data: False |-- (588, 575), data: False |-- (588, 16), data: (588, 29) @ (29, 16) |-- (88, 83), data: True |-- (250, 239), data: True |-- (250, 237), data: True |-- (588, 574), data: False |-- (588, 574), data: False |-- (588, 26), data: (588, 40) @ (40, 26) |-- (88, 74), data: True |-- (250, 238), data: True |-- (250, 236), data: True |-- (588, 574), data: False |-- (588, 574), data: False |-- (588, 26), data: (588, 40) @ (40, 26) |-- (88, 74), data: True |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 880 - Time: 0.641 Solver_block: 200 / 880 - Time: 0.555 Solver_block: 300 / 880 - Time: 0.552 Solver_block: 400 / 880 - Time: 0.559 Solver_block: 500 / 880 - Time: 0.549 Solver_block: 600 / 880 - Time: 0.554 Solver_block: 700 / 880 - Time: 0.551 Solver_block: 800 / 880 - Time: 0.561 Solver_block: 880 / 880 - Time: 0.469 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.098 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2730 Number of blocks in projector: 2730 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: 588 Use submatrix version of eigh solver. (1) Block: 588 / 588 (2) Block: 250 / 588 (2) 236 eigenvectors found. (2) Block: 500 / 588 (2) 238 eigenvectors found. (2) Block: 588 / 588 (2) 74 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 588 Use submatrix version of eigh solver. (1) Block: 588 / 588 (2) Block: 250 / 588 (2) 236 eigenvectors found. (2) Block: 500 / 588 (2) 238 eigenvectors found. (2) Block: 588 / 588 (2) 74 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 588 Use submatrix version of eigh solver. (1) Block: 588 / 588 (2) Block: 250 / 588 (2) 237 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 83 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 322 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 322 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 322 Use standard eigh solver. Tree of FC basis block matrices: - (2730, 2668), data: False |-- (322, 315), data: True |-- (322, 315), data: True |-- (322, 315), data: True |-- (588, 575), data: False |-- (588, 575), data: False |-- (588, 16), data: (588, 29) @ (29, 16) |-- (88, 83), data: True |-- (250, 239), data: True |-- (250, 237), data: True |-- (588, 574), data: False |-- (588, 574), data: False |-- (588, 26), data: (588, 40) @ (40, 26) |-- (88, 74), data: True |-- (250, 238), data: True |-- (250, 236), data: True |-- (588, 574), data: False |-- (588, 574), data: False |-- (588, 26), data: (588, 40) @ (40, 26) |-- (88, 74), data: True |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:11:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:11:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.231613990214110 0.000000000000000 0.000000000000000 b 0.000000000000000 9.161180369999999 0.000000000000000 c -1.556481501662904 0.000000000000000 8.124941287626195 Atomic positions (fractional): 1 Li 0.00544265771512 0.23355351600557 0.98150093183465 6.941 2 Li 0.99455734228488 0.73355351600557 0.51849906816535 6.941 3 Li 0.99455734228488 0.76644648399443 0.01849906816535 6.941 4 Li 0.00544265771512 0.26644648399443 0.48150093183465 6.941 5 Li 0.22349153551620 0.47686326215534 0.88733658754210 6.941 6 Li 0.77650846448380 0.97686326215534 0.61266341245790 6.941 7 Li 0.77650846448380 0.52313673784466 0.11266341245790 6.941 8 Li 0.22349153551620 0.02313673784466 0.38733658754210 6.941 9 Li 0.59114011379228 0.42660347683059 0.63232064366657 6.941 10 Li 0.40885988620772 0.92660347683059 0.86767935633343 6.941 11 Li 0.40885988620772 0.57339652316941 0.36767935633343 6.941 12 Li 0.59114011379228 0.07339652316941 0.13232064366657 6.941 13 B 0.30160898290747 0.18588317593552 0.74549063251226 10.811 14 B 0.69839101709253 0.68588317593552 0.75450936748774 10.811 15 B 0.69839101709253 0.81411682406448 0.25450936748774 10.811 16 B 0.30160898290747 0.31411682406448 0.24549063251226 10.811 17 O 0.47244067185302 0.13692671520738 0.90161657555065 15.999 18 O 0.52755932814698 0.63692671520738 0.59838342444935 15.999 19 O 0.52755932814698 0.86307328479262 0.09838342444935 15.999 20 O 0.47244067185302 0.36307328479262 0.40161657555065 15.999 21 O 0.27340536883600 0.09339598287104 0.61078939956416 15.999 22 O 0.72659463116400 0.59339598287104 0.88921060043584 15.999 23 O 0.72659463116400 0.90660401712896 0.38921060043584 15.999 24 O 0.27340536883600 0.40660401712896 0.11078939956416 15.999 25 O 0.13286454353323 0.32631378248137 0.72144955684836 15.999 26 O 0.86713545646677 0.82631378248137 0.77855044315164 15.999 27 O 0.86713545646677 0.67368621751863 0.27855044315164 15.999 28 O 0.13286454353323 0.17368621751863 0.22144955684836 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.694841970642329 0.000000000000000 0.000000000000000 b 0.000000000000000 9.161180369999999 0.000000000000000 c -1.556481501662904 0.000000000000000 8.124941287626195 Atomic positions (fractional): 1 Li 0.00181421923837 0.23355351600557 0.98150093183465 6.941 > 1 2 Li 0.33514755257171 0.23355351600557 0.98150093183465 6.941 > 1 3 Li 0.66848088590504 0.23355351600557 0.98150093183465 6.941 > 1 4 Li 0.33151911409496 0.73355351600557 0.51849906816535 6.941 > 4 5 Li 0.66485244742829 0.73355351600557 0.51849906816535 6.941 > 4 6 Li 0.99818578076163 0.73355351600557 0.51849906816535 6.941 > 4 7 Li 0.33151911409496 0.76644648399443 0.01849906816535 6.941 > 7 8 Li 0.66485244742829 0.76644648399443 0.01849906816535 6.941 > 7 9 Li 0.99818578076163 0.76644648399443 0.01849906816535 6.941 > 7 10 Li 0.00181421923837 0.26644648399443 0.48150093183465 6.941 > 10 11 Li 0.33514755257171 0.26644648399443 0.48150093183465 6.941 > 10 12 Li 0.66848088590504 0.26644648399443 0.48150093183465 6.941 > 10 13 Li 0.07449717850540 0.47686326215534 0.88733658754210 6.941 > 13 14 Li 0.40783051183873 0.47686326215534 0.88733658754210 6.941 > 13 15 Li 0.74116384517207 0.47686326215534 0.88733658754210 6.941 > 13 16 Li 0.25883615482793 0.97686326215534 0.61266341245790 6.941 > 16 17 Li 0.59216948816127 0.97686326215534 0.61266341245790 6.941 > 16 18 Li 0.92550282149460 0.97686326215534 0.61266341245790 6.941 > 16 19 Li 0.25883615482793 0.52313673784466 0.11266341245790 6.941 > 19 20 Li 0.59216948816127 0.52313673784466 0.11266341245790 6.941 > 19 21 Li 0.92550282149460 0.52313673784466 0.11266341245790 6.941 > 19 22 Li 0.07449717850540 0.02313673784466 0.38733658754210 6.941 > 22 23 Li 0.40783051183873 0.02313673784466 0.38733658754210 6.941 > 22 24 Li 0.74116384517207 0.02313673784466 0.38733658754210 6.941 > 22 25 Li 0.19704670459743 0.42660347683059 0.63232064366657 6.941 > 25 26 Li 0.53038003793076 0.42660347683059 0.63232064366657 6.941 > 25 27 Li 0.86371337126409 0.42660347683059 0.63232064366657 6.941 > 25 28 Li 0.13628662873591 0.92660347683059 0.86767935633343 6.941 > 28 29 Li 0.46961996206924 0.92660347683059 0.86767935633343 6.941 > 28 30 Li 0.80295329540257 0.92660347683059 0.86767935633343 6.941 > 28 31 Li 0.13628662873591 0.57339652316941 0.36767935633343 6.941 > 31 32 Li 0.46961996206924 0.57339652316941 0.36767935633343 6.941 > 31 33 Li 0.80295329540257 0.57339652316941 0.36767935633343 6.941 > 31 34 Li 0.19704670459743 0.07339652316941 0.13232064366657 6.941 > 34 35 Li 0.53038003793076 0.07339652316941 0.13232064366657 6.941 > 34 36 Li 0.86371337126409 0.07339652316941 0.13232064366657 6.941 > 34 37 B 0.10053632763582 0.18588317593552 0.74549063251226 10.811 > 37 38 B 0.43386966096916 0.18588317593552 0.74549063251226 10.811 > 37 39 B 0.76720299430249 0.18588317593552 0.74549063251226 10.811 > 37 40 B 0.23279700569751 0.68588317593552 0.75450936748774 10.811 > 40 41 B 0.56613033903084 0.68588317593552 0.75450936748774 10.811 > 40 42 B 0.89946367236418 0.68588317593552 0.75450936748774 10.811 > 40 43 B 0.23279700569751 0.81411682406448 0.25450936748774 10.811 > 43 44 B 0.56613033903084 0.81411682406448 0.25450936748774 10.811 > 43 45 B 0.89946367236418 0.81411682406448 0.25450936748774 10.811 > 43 46 B 0.10053632763582 0.31411682406448 0.24549063251226 10.811 > 46 47 B 0.43386966096916 0.31411682406448 0.24549063251226 10.811 > 46 48 B 0.76720299430249 0.31411682406448 0.24549063251226 10.811 > 46 49 O 0.15748022395101 0.13692671520738 0.90161657555065 15.999 > 49 50 O 0.49081355728434 0.13692671520738 0.90161657555065 15.999 > 49 51 O 0.82414689061767 0.13692671520738 0.90161657555065 15.999 > 49 52 O 0.17585310938233 0.63692671520738 0.59838342444935 15.999 > 52 53 O 0.50918644271566 0.63692671520738 0.59838342444935 15.999 > 52 54 O 0.84251977604899 0.63692671520738 0.59838342444935 15.999 > 52 55 O 0.17585310938233 0.86307328479262 0.09838342444935 15.999 > 55 56 O 0.50918644271566 0.86307328479262 0.09838342444935 15.999 > 55 57 O 0.84251977604899 0.86307328479262 0.09838342444935 15.999 > 55 58 O 0.15748022395101 0.36307328479262 0.40161657555065 15.999 > 58 59 O 0.49081355728434 0.36307328479262 0.40161657555065 15.999 > 58 60 O 0.82414689061767 0.36307328479262 0.40161657555065 15.999 > 58 61 O 0.09113512294533 0.09339598287104 0.61078939956416 15.999 > 61 62 O 0.42446845627867 0.09339598287104 0.61078939956416 15.999 > 61 63 O 0.75780178961200 0.09339598287104 0.61078939956416 15.999 > 61 64 O 0.24219821038800 0.59339598287104 0.88921060043584 15.999 > 64 65 O 0.57553154372133 0.59339598287104 0.88921060043584 15.999 > 64 66 O 0.90886487705467 0.59339598287104 0.88921060043584 15.999 > 64 67 O 0.24219821038800 0.90660401712896 0.38921060043584 15.999 > 67 68 O 0.57553154372133 0.90660401712896 0.38921060043584 15.999 > 67 69 O 0.90886487705467 0.90660401712896 0.38921060043584 15.999 > 67 70 O 0.09113512294533 0.40660401712896 0.11078939956416 15.999 > 70 71 O 0.42446845627867 0.40660401712896 0.11078939956416 15.999 > 70 72 O 0.75780178961200 0.40660401712896 0.11078939956416 15.999 > 70 73 O 0.04428818117774 0.32631378248137 0.72144955684836 15.999 > 73 74 O 0.37762151451108 0.32631378248137 0.72144955684836 15.999 > 73 75 O 0.71095484784441 0.32631378248137 0.72144955684836 15.999 > 73 76 O 0.28904515215559 0.82631378248137 0.77855044315164 15.999 > 76 77 O 0.62237848548892 0.82631378248137 0.77855044315164 15.999 > 76 78 O 0.95571181882226 0.82631378248137 0.77855044315164 15.999 > 76 79 O 0.28904515215559 0.67368621751863 0.27855044315164 15.999 > 79 80 O 0.62237848548892 0.67368621751863 0.27855044315164 15.999 > 79 81 O 0.95571181882226 0.67368621751863 0.27855044315164 15.999 > 79 82 O 0.04428818117774 0.17368621751863 0.22144955684836 15.999 > 82 83 O 0.37762151451108 0.17368621751863 0.22144955684836 15.999 > 82 84 O 0.71095484784441 0.17368621751863 0.22144955684836 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5665259 0.0000000 0.0210254 0.0000000 2.7092052 0.0000000 0.0210269 0.0000000 2.8145013 -------------------------- Born effective charges -------------------------- 1 Li 0.9915975 0.0361798 -0.0268008 0.0240519 0.8059052 0.0997724 -0.0031776 0.1132737 1.1547805 2 Li 0.9915975 -0.0361798 -0.0268008 -0.0240519 0.8059052 -0.0997724 -0.0031776 -0.1132737 1.1547805 3 Li 0.9915975 0.0361798 -0.0268008 0.0240519 0.8059052 0.0997724 -0.0031776 0.1132737 1.1547805 4 Li 0.9915975 -0.0361798 -0.0268008 -0.0240519 0.8059052 -0.0997724 -0.0031776 -0.1132737 1.1547805 5 Li 0.9506439 -0.0218772 -0.0353168 -0.0143962 1.0591239 -0.0054207 -0.0157200 -0.0781027 1.0016676 6 Li 0.9506439 0.0218772 -0.0353168 0.0143962 1.0591239 0.0054207 -0.0157200 0.0781027 1.0016676 7 Li 0.9506439 -0.0218772 -0.0353168 -0.0143962 1.0591239 -0.0054207 -0.0157200 -0.0781027 1.0016676 8 Li 0.9506439 0.0218772 -0.0353168 0.0143962 1.0591239 0.0054207 -0.0157200 0.0781027 1.0016676 9 Li 0.9404622 0.0012291 0.0289889 0.0048543 1.1359305 0.0276096 0.0092697 0.1070504 1.0816220 10 Li 0.9404622 -0.0012291 0.0289889 -0.0048543 1.1359305 -0.0276096 0.0092697 -0.1070504 1.0816220 11 Li 0.9404622 0.0012291 0.0289889 0.0048543 1.1359305 0.0276096 0.0092697 0.1070504 1.0816220 12 Li 0.9404622 -0.0012291 0.0289889 -0.0048543 1.1359305 -0.0276096 0.0092697 -0.1070504 1.0816220 13 B 0.9759630 -0.5932723 0.2692471 -0.5399706 2.1609964 0.1399021 0.2336853 0.0874740 2.4436748 14 B 0.9759630 0.5932723 0.2692471 0.5399706 2.1609964 -0.1399021 0.2336853 -0.0874740 2.4436748 15 B 0.9759630 -0.5932723 0.2692471 -0.5399706 2.1609964 0.1399021 0.2336853 0.0874740 2.4436748 16 B 0.9759630 0.5932723 0.2692471 0.5399706 2.1609964 -0.1399021 0.2336853 -0.0874740 2.4436748 17 O -1.2553581 0.1090877 -0.2246307 0.1276135 -1.3667807 0.1925123 -0.2099727 0.2514558 -2.2319995 18 O -1.2553581 -0.1090877 -0.2246307 -0.1276135 -1.3667807 -0.1925123 -0.2099727 -0.2514558 -2.2319995 19 O -1.2553581 0.1090877 -0.2246307 0.1276135 -1.3667807 0.1925123 -0.2099727 0.2514558 -2.2319995 20 O -1.2553581 -0.1090877 -0.2246307 -0.1276135 -1.3667807 -0.1925123 -0.2099727 -0.2514558 -2.2319995 21 O -1.1944547 0.1101441 0.0524514 0.0865575 -1.7130050 -0.4498643 0.0153995 -0.4509954 -1.9961269 22 O -1.1944547 -0.1101441 0.0524514 -0.0865575 -1.7130050 0.4498643 0.0153995 0.4509954 -1.9961269 23 O -1.1944547 0.1101441 0.0524514 0.0865575 -1.7130050 -0.4498643 0.0153995 -0.4509954 -1.9961269 24 O -1.1944547 -0.1101441 0.0524514 -0.0865575 -1.7130050 0.4498643 0.0153995 0.4509954 -1.9961269 25 O -1.4088538 0.3440915 -0.0639391 0.3438022 -2.0821703 0.0651366 -0.0294841 0.0974385 -1.4536186 26 O -1.4088538 -0.3440915 -0.0639391 -0.3438022 -2.0821703 -0.0651366 -0.0294841 -0.0974385 -1.4536186 27 O -1.4088538 0.3440915 -0.0639391 0.3438022 -2.0821703 0.0651366 -0.0294841 0.0974385 -1.4536186 28 O -1.4088538 -0.3440915 -0.0639391 -0.3438022 -2.0821703 -0.0651366 -0.0294841 -0.0974385 -1.4536186 ---------------------------------------------------------------------------- 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:11:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:11:58]------------------------- 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): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.231613990214110 0.000000000000000 0.000000000000000 b 0.000000000000000 9.161180369999999 0.000000000000000 c -1.556481501662904 0.000000000000000 8.124941287626195 Atomic positions (fractional): 1 Li 0.00544265771512 0.23355351600557 0.98150093183465 6.941 2 Li 0.99455734228488 0.73355351600557 0.51849906816535 6.941 3 Li 0.99455734228488 0.76644648399443 0.01849906816535 6.941 4 Li 0.00544265771512 0.26644648399443 0.48150093183465 6.941 5 Li 0.22349153551620 0.47686326215534 0.88733658754210 6.941 6 Li 0.77650846448380 0.97686326215534 0.61266341245790 6.941 7 Li 0.77650846448380 0.52313673784466 0.11266341245790 6.941 8 Li 0.22349153551620 0.02313673784466 0.38733658754210 6.941 9 Li 0.59114011379228 0.42660347683059 0.63232064366657 6.941 10 Li 0.40885988620772 0.92660347683059 0.86767935633343 6.941 11 Li 0.40885988620772 0.57339652316941 0.36767935633343 6.941 12 Li 0.59114011379228 0.07339652316941 0.13232064366657 6.941 13 B 0.30160898290747 0.18588317593552 0.74549063251226 10.811 14 B 0.69839101709253 0.68588317593552 0.75450936748774 10.811 15 B 0.69839101709253 0.81411682406448 0.25450936748774 10.811 16 B 0.30160898290747 0.31411682406448 0.24549063251226 10.811 17 O 0.47244067185302 0.13692671520738 0.90161657555065 15.999 18 O 0.52755932814698 0.63692671520738 0.59838342444935 15.999 19 O 0.52755932814698 0.86307328479262 0.09838342444935 15.999 20 O 0.47244067185302 0.36307328479262 0.40161657555065 15.999 21 O 0.27340536883600 0.09339598287104 0.61078939956416 15.999 22 O 0.72659463116400 0.59339598287104 0.88921060043584 15.999 23 O 0.72659463116400 0.90660401712896 0.38921060043584 15.999 24 O 0.27340536883600 0.40660401712896 0.11078939956416 15.999 25 O 0.13286454353323 0.32631378248137 0.72144955684836 15.999 26 O 0.86713545646677 0.82631378248137 0.77855044315164 15.999 27 O 0.86713545646677 0.67368621751863 0.27855044315164 15.999 28 O 0.13286454353323 0.17368621751863 0.22144955684836 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.694841970642329 0.000000000000000 0.000000000000000 b 0.000000000000000 9.161180369999999 0.000000000000000 c -1.556481501662904 0.000000000000000 8.124941287626195 Atomic positions (fractional): 1 Li 0.00181421923837 0.23355351600557 0.98150093183465 6.941 > 1 2 Li 0.33514755257171 0.23355351600557 0.98150093183465 6.941 > 1 3 Li 0.66848088590504 0.23355351600557 0.98150093183465 6.941 > 1 4 Li 0.33151911409496 0.73355351600557 0.51849906816535 6.941 > 4 5 Li 0.66485244742829 0.73355351600557 0.51849906816535 6.941 > 4 6 Li 0.99818578076163 0.73355351600557 0.51849906816535 6.941 > 4 7 Li 0.33151911409496 0.76644648399443 0.01849906816535 6.941 > 7 8 Li 0.66485244742829 0.76644648399443 0.01849906816535 6.941 > 7 9 Li 0.99818578076163 0.76644648399443 0.01849906816535 6.941 > 7 10 Li 0.00181421923837 0.26644648399443 0.48150093183465 6.941 > 10 11 Li 0.33514755257171 0.26644648399443 0.48150093183465 6.941 > 10 12 Li 0.66848088590504 0.26644648399443 0.48150093183465 6.941 > 10 13 Li 0.07449717850540 0.47686326215534 0.88733658754210 6.941 > 13 14 Li 0.40783051183873 0.47686326215534 0.88733658754210 6.941 > 13 15 Li 0.74116384517207 0.47686326215534 0.88733658754210 6.941 > 13 16 Li 0.25883615482793 0.97686326215534 0.61266341245790 6.941 > 16 17 Li 0.59216948816127 0.97686326215534 0.61266341245790 6.941 > 16 18 Li 0.92550282149460 0.97686326215534 0.61266341245790 6.941 > 16 19 Li 0.25883615482793 0.52313673784466 0.11266341245790 6.941 > 19 20 Li 0.59216948816127 0.52313673784466 0.11266341245790 6.941 > 19 21 Li 0.92550282149460 0.52313673784466 0.11266341245790 6.941 > 19 22 Li 0.07449717850540 0.02313673784466 0.38733658754210 6.941 > 22 23 Li 0.40783051183873 0.02313673784466 0.38733658754210 6.941 > 22 24 Li 0.74116384517207 0.02313673784466 0.38733658754210 6.941 > 22 25 Li 0.19704670459743 0.42660347683059 0.63232064366657 6.941 > 25 26 Li 0.53038003793076 0.42660347683059 0.63232064366657 6.941 > 25 27 Li 0.86371337126409 0.42660347683059 0.63232064366657 6.941 > 25 28 Li 0.13628662873591 0.92660347683059 0.86767935633343 6.941 > 28 29 Li 0.46961996206924 0.92660347683059 0.86767935633343 6.941 > 28 30 Li 0.80295329540257 0.92660347683059 0.86767935633343 6.941 > 28 31 Li 0.13628662873591 0.57339652316941 0.36767935633343 6.941 > 31 32 Li 0.46961996206924 0.57339652316941 0.36767935633343 6.941 > 31 33 Li 0.80295329540257 0.57339652316941 0.36767935633343 6.941 > 31 34 Li 0.19704670459743 0.07339652316941 0.13232064366657 6.941 > 34 35 Li 0.53038003793076 0.07339652316941 0.13232064366657 6.941 > 34 36 Li 0.86371337126409 0.07339652316941 0.13232064366657 6.941 > 34 37 B 0.10053632763582 0.18588317593552 0.74549063251226 10.811 > 37 38 B 0.43386966096916 0.18588317593552 0.74549063251226 10.811 > 37 39 B 0.76720299430249 0.18588317593552 0.74549063251226 10.811 > 37 40 B 0.23279700569751 0.68588317593552 0.75450936748774 10.811 > 40 41 B 0.56613033903084 0.68588317593552 0.75450936748774 10.811 > 40 42 B 0.89946367236418 0.68588317593552 0.75450936748774 10.811 > 40 43 B 0.23279700569751 0.81411682406448 0.25450936748774 10.811 > 43 44 B 0.56613033903084 0.81411682406448 0.25450936748774 10.811 > 43 45 B 0.89946367236418 0.81411682406448 0.25450936748774 10.811 > 43 46 B 0.10053632763582 0.31411682406448 0.24549063251226 10.811 > 46 47 B 0.43386966096916 0.31411682406448 0.24549063251226 10.811 > 46 48 B 0.76720299430249 0.31411682406448 0.24549063251226 10.811 > 46 49 O 0.15748022395101 0.13692671520738 0.90161657555065 15.999 > 49 50 O 0.49081355728434 0.13692671520738 0.90161657555065 15.999 > 49 51 O 0.82414689061767 0.13692671520738 0.90161657555065 15.999 > 49 52 O 0.17585310938233 0.63692671520738 0.59838342444935 15.999 > 52 53 O 0.50918644271566 0.63692671520738 0.59838342444935 15.999 > 52 54 O 0.84251977604899 0.63692671520738 0.59838342444935 15.999 > 52 55 O 0.17585310938233 0.86307328479262 0.09838342444935 15.999 > 55 56 O 0.50918644271566 0.86307328479262 0.09838342444935 15.999 > 55 57 O 0.84251977604899 0.86307328479262 0.09838342444935 15.999 > 55 58 O 0.15748022395101 0.36307328479262 0.40161657555065 15.999 > 58 59 O 0.49081355728434 0.36307328479262 0.40161657555065 15.999 > 58 60 O 0.82414689061767 0.36307328479262 0.40161657555065 15.999 > 58 61 O 0.09113512294533 0.09339598287104 0.61078939956416 15.999 > 61 62 O 0.42446845627867 0.09339598287104 0.61078939956416 15.999 > 61 63 O 0.75780178961200 0.09339598287104 0.61078939956416 15.999 > 61 64 O 0.24219821038800 0.59339598287104 0.88921060043584 15.999 > 64 65 O 0.57553154372133 0.59339598287104 0.88921060043584 15.999 > 64 66 O 0.90886487705467 0.59339598287104 0.88921060043584 15.999 > 64 67 O 0.24219821038800 0.90660401712896 0.38921060043584 15.999 > 67 68 O 0.57553154372133 0.90660401712896 0.38921060043584 15.999 > 67 69 O 0.90886487705467 0.90660401712896 0.38921060043584 15.999 > 67 70 O 0.09113512294533 0.40660401712896 0.11078939956416 15.999 > 70 71 O 0.42446845627867 0.40660401712896 0.11078939956416 15.999 > 70 72 O 0.75780178961200 0.40660401712896 0.11078939956416 15.999 > 70 73 O 0.04428818117774 0.32631378248137 0.72144955684836 15.999 > 73 74 O 0.37762151451108 0.32631378248137 0.72144955684836 15.999 > 73 75 O 0.71095484784441 0.32631378248137 0.72144955684836 15.999 > 73 76 O 0.28904515215559 0.82631378248137 0.77855044315164 15.999 > 76 77 O 0.62237848548892 0.82631378248137 0.77855044315164 15.999 > 76 78 O 0.95571181882226 0.82631378248137 0.77855044315164 15.999 > 76 79 O 0.28904515215559 0.67368621751863 0.27855044315164 15.999 > 79 80 O 0.62237848548892 0.67368621751863 0.27855044315164 15.999 > 79 81 O 0.95571181882226 0.67368621751863 0.27855044315164 15.999 > 79 82 O 0.04428818117774 0.17368621751863 0.22144955684836 15.999 > 82 83 O 0.37762151451108 0.17368621751863 0.22144955684836 15.999 > 82 84 O 0.71095484784441 0.17368621751863 0.22144955684836 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5665259 0.0000000 0.0210254 0.0000000 2.7092052 0.0000000 0.0210269 0.0000000 2.8145013 -------------------------- Born effective charges -------------------------- 1 Li 0.9915975 0.0361798 -0.0268008 0.0240519 0.8059052 0.0997724 -0.0031776 0.1132737 1.1547805 2 Li 0.9915975 -0.0361798 -0.0268008 -0.0240519 0.8059052 -0.0997724 -0.0031776 -0.1132737 1.1547805 3 Li 0.9915975 0.0361798 -0.0268008 0.0240519 0.8059052 0.0997724 -0.0031776 0.1132737 1.1547805 4 Li 0.9915975 -0.0361798 -0.0268008 -0.0240519 0.8059052 -0.0997724 -0.0031776 -0.1132737 1.1547805 5 Li 0.9506439 -0.0218772 -0.0353168 -0.0143962 1.0591239 -0.0054207 -0.0157200 -0.0781027 1.0016676 6 Li 0.9506439 0.0218772 -0.0353168 0.0143962 1.0591239 0.0054207 -0.0157200 0.0781027 1.0016676 7 Li 0.9506439 -0.0218772 -0.0353168 -0.0143962 1.0591239 -0.0054207 -0.0157200 -0.0781027 1.0016676 8 Li 0.9506439 0.0218772 -0.0353168 0.0143962 1.0591239 0.0054207 -0.0157200 0.0781027 1.0016676 9 Li 0.9404622 0.0012291 0.0289889 0.0048543 1.1359305 0.0276096 0.0092697 0.1070504 1.0816220 10 Li 0.9404622 -0.0012291 0.0289889 -0.0048543 1.1359305 -0.0276096 0.0092697 -0.1070504 1.0816220 11 Li 0.9404622 0.0012291 0.0289889 0.0048543 1.1359305 0.0276096 0.0092697 0.1070504 1.0816220 12 Li 0.9404622 -0.0012291 0.0289889 -0.0048543 1.1359305 -0.0276096 0.0092697 -0.1070504 1.0816220 13 B 0.9759630 -0.5932723 0.2692471 -0.5399706 2.1609964 0.1399021 0.2336853 0.0874740 2.4436748 14 B 0.9759630 0.5932723 0.2692471 0.5399706 2.1609964 -0.1399021 0.2336853 -0.0874740 2.4436748 15 B 0.9759630 -0.5932723 0.2692471 -0.5399706 2.1609964 0.1399021 0.2336853 0.0874740 2.4436748 16 B 0.9759630 0.5932723 0.2692471 0.5399706 2.1609964 -0.1399021 0.2336853 -0.0874740 2.4436748 17 O -1.2553581 0.1090877 -0.2246307 0.1276135 -1.3667807 0.1925123 -0.2099727 0.2514558 -2.2319995 18 O -1.2553581 -0.1090877 -0.2246307 -0.1276135 -1.3667807 -0.1925123 -0.2099727 -0.2514558 -2.2319995 19 O -1.2553581 0.1090877 -0.2246307 0.1276135 -1.3667807 0.1925123 -0.2099727 0.2514558 -2.2319995 20 O -1.2553581 -0.1090877 -0.2246307 -0.1276135 -1.3667807 -0.1925123 -0.2099727 -0.2514558 -2.2319995 21 O -1.1944547 0.1101441 0.0524514 0.0865575 -1.7130050 -0.4498643 0.0153995 -0.4509954 -1.9961269 22 O -1.1944547 -0.1101441 0.0524514 -0.0865575 -1.7130050 0.4498643 0.0153995 0.4509954 -1.9961269 23 O -1.1944547 0.1101441 0.0524514 0.0865575 -1.7130050 -0.4498643 0.0153995 -0.4509954 -1.9961269 24 O -1.1944547 -0.1101441 0.0524514 -0.0865575 -1.7130050 0.4498643 0.0153995 0.4509954 -1.9961269 25 O -1.4088538 0.3440915 -0.0639391 0.3438022 -2.0821703 0.0651366 -0.0294841 0.0974385 -1.4536186 26 O -1.4088538 -0.3440915 -0.0639391 -0.3438022 -2.0821703 -0.0651366 -0.0294841 -0.0974385 -1.4536186 27 O -1.4088538 0.3440915 -0.0639391 0.3438022 -2.0821703 0.0651366 -0.0294841 0.0974385 -1.4536186 28 O -1.4088538 -0.3440915 -0.0639391 -0.3438022 -2.0821703 -0.0651366 -0.0294841 -0.0974385 -1.4536186 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 16 5 6 ] 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: 0.67, Number of G-points: 305, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/150) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 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 3.444 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.921 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.514 ( 0.000 0.000 0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.442 ( 0.000 0.000 0.000) 0.000 6.654 ( 0.000 0.000 0.000) 0.000 6.877 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.322 ( 0.000 0.000 0.000) 0.000 7.463 ( 0.000 0.000 0.000) 0.000 7.729 ( 0.000 0.000 0.000) 0.000 7.771 ( 0.000 0.000 0.000) 0.000 7.786 ( 0.000 0.000 0.000) 0.000 8.366 ( 0.000 0.000 0.000) 0.000 8.646 ( 0.000 0.000 0.000) 0.000 9.091 ( 0.000 0.000 0.000) 0.000 9.172 ( 0.000 0.000 0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 10.433 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 10.964 ( 0.000 0.000 0.000) 0.000 11.140 ( 0.000 0.000 0.000) 0.000 11.370 ( 0.000 0.000 0.000) 0.000 11.785 ( 0.000 0.000 0.000) 0.000 11.896 ( 0.000 0.000 0.000) 0.000 12.088 ( 0.000 0.000 0.000) 0.000 12.232 ( 0.000 0.000 0.000) 0.000 12.490 ( 0.000 0.000 0.000) 0.000 12.512 ( 0.000 0.000 0.000) 0.000 12.960 ( 0.000 0.000 0.000) 0.000 13.062 ( 0.000 0.000 0.000) 0.000 13.247 ( 0.000 0.000 0.000) 0.000 13.276 ( 0.000 0.000 0.000) 0.000 13.414 ( 0.000 0.000 0.000) 0.000 13.778 ( 0.000 0.000 0.000) 0.000 14.010 ( 0.000 0.000 0.000) 0.000 14.199 ( 0.000 0.000 0.000) 0.000 14.391 ( 0.000 0.000 0.000) 0.000 14.624 ( 0.000 0.000 0.000) 0.000 14.631 ( 0.000 0.000 0.000) 0.000 14.880 ( 0.000 0.000 0.000) 0.000 14.902 ( 0.000 0.000 0.000) 0.000 15.046 ( 0.000 0.000 0.000) 0.000 15.111 ( 0.000 0.000 0.000) 0.000 15.395 ( 0.000 0.000 0.000) 0.000 15.528 ( 0.000 0.000 0.000) 0.000 15.589 ( 0.000 0.000 0.000) 0.000 16.170 ( 0.000 0.000 0.000) 0.000 16.645 ( 0.000 0.000 0.000) 0.000 16.806 ( 0.000 0.000 0.000) 0.000 17.249 ( 0.000 0.000 0.000) 0.000 18.104 ( 0.000 0.000 0.000) 0.000 18.131 ( 0.000 0.000 0.000) 0.000 18.514 ( 0.000 0.000 0.000) 0.000 18.676 ( 0.000 0.000 0.000) 0.000 18.812 ( 0.000 0.000 0.000) 0.000 18.858 ( 0.000 0.000 0.000) 0.000 19.194 ( 0.000 0.000 0.000) 0.000 19.658 ( 0.000 0.000 0.000) 0.000 21.108 ( 0.000 0.000 0.000) 0.000 21.116 ( 0.000 0.000 0.000) 0.000 21.241 ( 0.000 0.000 0.000) 0.000 21.249 ( 0.000 0.000 0.000) 0.000 27.365 ( 0.000 0.000 0.000) 0.000 27.577 ( 0.000 0.000 0.000) 0.000 27.726 ( 0.000 0.000 0.000) 0.000 27.887 ( 0.000 0.000 0.000) 0.000 36.326 ( 0.000 0.000 0.000) 0.000 36.889 ( 0.000 0.000 0.000) 0.000 37.380 ( 0.000 0.000 0.000) 0.000 37.804 ( 0.000 0.000 0.000) 0.000 39.124 ( 0.000 0.000 0.000) 0.000 39.498 ( 0.000 0.000 0.000) 0.000 40.234 ( 0.000 0.000 0.000) 0.000 40.977 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/150) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 34.165 0.000 -7.208) 34.917 0.873 ( 40.653 0.000 21.581) 46.026 1.365 ( 64.345 0.000 29.724) 70.879 3.670 ( 21.791 0.000 1.769) 21.863 3.703 ( 10.859 0.000 3.611) 11.443 3.977 ( 6.207 0.000 10.275) 12.005 4.027 ( 0.433 0.000 0.591) 0.733 4.419 ( 23.796 0.000 -7.306) 24.892 5.259 ( 15.295 0.000 -0.885) 15.321 5.458 ( 1.889 0.000 -16.829) 16.935 5.678 ( 3.870 0.000 -13.703) 14.238 5.801 ( 12.975 0.000 17.991) 22.181 6.092 ( 2.209 0.000 21.204) 21.319 6.507 ( 7.134 0.000 -2.497) 7.558 6.541 ( -3.650 0.000 -17.547) 17.922 7.054 ( 10.657 0.000 15.090) 18.474 7.183 ( 0.771 0.000 -2.074) 2.213 7.396 ( 8.078 0.000 -1.839) 8.285 7.525 ( 4.767 0.000 -5.457) 7.246 7.733 ( 1.535 0.000 4.138) 4.414 7.787 ( 6.389 0.000 -6.857) 9.372 7.943 ( 10.839 0.000 -1.152) 10.900 8.410 ( 2.203 0.000 9.494) 9.746 8.565 ( -6.673 0.000 -5.585) 8.702 9.112 ( 2.366 0.000 -0.473) 2.413 9.210 ( 4.314 0.000 -4.509) 6.240 9.810 ( -7.079 0.000 4.292) 8.279 10.371 ( -6.178 0.000 2.037) 6.505 10.605 ( -6.754 0.000 17.978) 19.205 10.705 ( -16.697 0.000 4.664) 17.336 11.387 ( 15.076 0.000 -3.748) 15.535 11.464 ( 7.507 0.000 1.190) 7.601 11.875 ( -1.446 0.000 -9.903) 10.008 12.105 ( -2.772 0.000 -21.425) 21.604 12.143 ( 1.081 0.000 6.798) 6.884 12.357 ( -6.849 0.000 0.102) 6.850 12.424 ( -6.237 0.000 11.013) 12.657 12.827 ( -3.860 0.000 -2.159) 4.423 13.066 ( 0.396 0.000 -0.947) 1.027 13.076 ( -2.405 0.000 11.614) 11.860 13.347 ( 7.064 0.000 0.379) 7.074 13.370 ( 18.865 0.000 -49.153) 52.649 13.479 ( 3.499 0.000 8.899) 9.562 13.892 ( 4.792 0.000 -0.483) 4.816 14.041 ( 5.551 0.000 -0.041) 5.552 14.291 ( -5.570 0.000 -0.479) 5.591 14.514 ( 1.746 0.000 -14.889) 14.991 14.567 ( -3.333 0.000 -3.375) 4.743 14.877 ( -1.442 0.000 6.104) 6.272 14.890 ( -1.714 0.000 -4.317) 4.645 15.045 ( 11.742 0.000 -1.076) 11.792 15.185 ( 4.007 0.000 9.841) 10.625 15.339 ( -3.403 0.000 -3.534) 4.906 15.567 ( -1.565 0.000 -2.171) 2.676 15.589 ( 3.477 0.000 3.930) 5.248 16.159 ( -1.111 0.000 3.934) 4.088 16.532 ( 6.352 0.000 -7.008) 9.458 16.693 ( -9.056 0.000 14.290) 16.917 17.032 ( 3.298 0.000 24.838) 25.056 17.217 ( -3.607 0.000 0.560) 3.651 18.084 ( -0.935 0.000 -5.580) 5.658 18.144 ( -1.206 0.000 6.444) 6.556 18.504 ( -0.895 0.000 0.013) 0.895 18.552 ( -9.992 0.000 -4.391) 10.914 18.783 ( -0.484 0.000 -3.878) 3.908 18.874 ( -1.556 0.000 7.341) 7.504 19.210 ( 0.217 0.000 0.846) 0.873 19.714 ( -11.266 0.000 -4.151) 12.007 21.175 ( 7.220 0.000 -0.291) 7.226 21.230 ( 10.331 0.000 0.879) 10.369 21.339 ( 8.581 0.000 0.176) 8.583 23.034 ( 4.071 0.000 -37.362) 37.583 27.358 ( -0.694 0.000 -0.190) 0.719 27.554 ( -2.291 0.000 -0.125) 2.294 27.711 ( -1.400 0.000 -0.696) 1.564 27.855 ( -3.249 0.000 0.079) 3.250 36.330 ( -0.075 0.000 2.596) 2.597 36.861 ( -2.872 0.000 0.142) 2.876 37.443 ( -0.260 0.000 -24.157) 24.159 38.606 ( -29.774 0.000 134.771) 138.021 39.051 ( -6.308 0.000 -5.952) 8.673 39.447 ( -5.935 0.000 3.663) 6.975 40.117 ( -12.585 0.000 3.871) 13.167 40.863 ( -10.977 0.000 -2.581) 11.277 ======================= Grid point 2 (3/150) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 34.284 0.000 -6.357) 34.869 1.724 ( 39.237 0.000 19.582) 43.852 2.697 ( 61.515 0.000 29.944) 68.416 4.023 ( 19.234 0.000 7.636) 20.695 4.052 ( 3.160 0.000 3.551) 4.754 4.236 ( 32.555 0.000 1.497) 32.590 4.250 ( 17.705 0.000 7.451) 19.209 4.916 ( 27.192 0.000 -3.812) 27.458 5.478 ( 7.241 0.000 -19.026) 20.358 5.534 ( 8.469 0.000 -9.285) 12.567 5.841 ( 23.273 0.000 -10.751) 25.636 6.180 ( 18.106 0.000 18.030) 25.553 6.254 ( 5.859 0.000 22.965) 23.700 6.449 ( 1.369 0.000 -16.030) 16.088 6.689 ( 11.615 0.000 -0.353) 11.620 7.207 ( 3.124 0.000 -2.132) 3.782 7.303 ( 8.408 0.000 3.456) 9.090 7.573 ( 7.099 0.000 -5.716) 9.114 7.614 ( 14.495 0.000 -1.927) 14.623 7.837 ( 8.350 0.000 1.430) 8.472 8.044 ( 18.119 0.000 1.115) 18.153 8.177 ( 13.332 0.000 -3.951) 13.905 8.385 ( -7.455 0.000 -8.321) 11.172 8.508 ( 4.848 0.000 7.644) 9.051 9.190 ( 6.233 0.000 -0.221) 6.237 9.287 ( 5.247 0.000 -5.643) 7.705 9.661 ( -8.403 0.000 -0.057) 8.403 10.245 ( -6.522 0.000 1.142) 6.621 10.423 ( -14.393 0.000 5.999) 15.593 10.539 ( -5.027 0.000 8.471) 9.850 11.553 ( -0.530 0.000 -10.668) 10.681 11.584 ( 2.986 0.000 -7.110) 7.712 11.749 ( -5.593 0.000 -4.512) 7.186 11.901 ( -8.891 0.000 0.134) 8.892 12.048 ( -4.070 0.000 -0.961) 4.182 12.471 ( 6.546 0.000 1.924) 6.823 12.484 ( 13.293 0.000 2.303) 13.491 12.773 ( -2.072 0.000 4.566) 5.014 13.032 ( -4.110 0.000 5.992) 7.266 13.065 ( 0.006 0.000 -1.649) 1.649 13.520 ( 9.445 0.000 -3.326) 10.014 13.567 ( 5.397 0.000 9.324) 10.773 13.581 ( 11.831 0.000 -23.597) 26.397 13.892 ( -0.318 0.000 -1.547) 1.579 14.022 ( -7.812 0.000 4.222) 8.880 14.353 ( -11.918 0.000 3.994) 12.570 14.429 ( 16.176 0.000 -1.076) 16.212 14.575 ( 1.809 0.000 -9.088) 9.266 14.850 ( -4.790 0.000 8.697) 9.929 14.866 ( 1.805 0.000 -6.649) 6.889 15.251 ( 4.202 0.000 -6.191) 7.483 15.297 ( 5.011 0.000 5.831) 7.688 15.298 ( 2.824 0.000 11.527) 11.868 15.525 ( -0.897 0.000 -5.195) 5.272 15.629 ( -1.136 0.000 0.461) 1.225 16.203 ( 4.462 0.000 7.842) 9.023 16.539 ( -3.352 0.000 -2.258) 4.041 16.714 ( 7.745 0.000 0.738) 7.780 17.107 ( -8.219 0.000 2.218) 8.514 17.184 ( 6.093 0.000 7.125) 9.375 18.029 ( -2.445 0.000 -6.062) 6.537 18.142 ( -1.291 0.000 5.514) 5.663 18.335 ( -9.922 0.000 -2.840) 10.321 18.483 ( -1.399 0.000 0.892) 1.660 18.749 ( -1.928 0.000 -5.128) 5.479 18.852 ( -2.628 0.000 3.674) 4.518 19.184 ( -3.157 0.000 2.478) 4.014 19.437 ( -14.992 0.000 -2.208) 15.153 21.378 ( 13.143 0.000 -0.316) 13.147 21.471 ( 13.439 0.000 0.436) 13.446 21.555 ( 12.965 0.000 1.570) 13.060 22.949 ( -1.724 0.000 -19.973) 20.048 27.338 ( -1.163 0.000 -0.305) 1.202 27.495 ( -3.408 0.000 -0.546) 3.451 27.668 ( -2.617 0.000 -0.892) 2.765 27.770 ( -5.239 0.000 0.075) 5.240 36.340 ( -0.350 0.000 4.513) 4.526 36.784 ( -4.958 0.000 0.238) 4.964 37.307 ( -6.462 0.000 -13.274) 14.764 38.498 ( -19.250 0.000 64.167) 66.993 38.845 ( -11.434 0.000 -10.727) 15.678 39.298 ( -11.194 0.000 5.839) 12.625 39.796 ( -21.920 0.000 6.878) 22.973 40.552 ( -19.133 0.000 -4.962) 19.766 ======================= Grid point 3 (4/150) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 34.055 0.000 -5.161) 34.443 2.524 ( 36.210 0.000 16.179) 39.660 3.919 ( 46.212 0.000 28.796) 54.449 4.196 ( 17.401 0.000 6.616) 18.616 4.449 ( 19.121 0.000 12.069) 22.611 4.664 ( 21.986 0.000 0.544) 21.993 4.866 ( 27.989 0.000 2.503) 28.100 5.336 ( 15.821 0.000 -1.389) 15.882 5.602 ( 7.583 0.000 -14.571) 16.426 5.638 ( 17.745 0.000 -23.084) 29.116 6.354 ( 21.872 0.000 10.190) 24.130 6.433 ( 6.197 0.000 -10.235) 11.964 6.511 ( 19.382 0.000 2.383) 19.528 6.643 ( 17.877 0.000 15.943) 23.954 6.928 ( 11.246 0.000 8.650) 14.187 7.317 ( 10.875 0.000 -8.992) 14.112 7.383 ( 5.094 0.000 -11.858) 12.906 7.830 ( 15.229 0.000 7.310) 16.893 7.883 ( 12.637 0.000 -0.912) 12.670 8.101 ( 19.264 0.000 -0.322) 19.267 8.161 ( -1.792 0.000 -10.450) 10.603 8.398 ( 10.751 0.000 -4.289) 11.575 8.448 ( 8.322 0.000 14.383) 16.617 8.731 ( 20.707 0.000 -4.849) 21.268 9.355 ( 9.821 0.000 1.244) 9.900 9.357 ( 3.471 0.000 -3.739) 5.102 9.510 ( -5.674 0.000 -3.085) 6.459 10.156 ( -2.648 0.000 0.360) 2.673 10.190 ( -11.485 0.000 3.322) 11.955 10.466 ( -5.419 0.000 4.771) 7.220 11.338 ( -12.292 0.000 -15.301) 19.627 11.384 ( -13.188 0.000 -5.628) 14.339 11.740 ( 0.174 0.000 -0.360) 0.399 11.851 ( -2.049 0.000 13.921) 14.071 12.074 ( 7.370 0.000 -8.751) 11.441 12.539 ( -1.196 0.000 -6.586) 6.693 12.764 ( 13.795 0.000 2.750) 14.067 12.855 ( 8.952 0.000 8.048) 12.038 12.978 ( -3.123 0.000 3.737) 4.870 13.053 ( -0.703 0.000 -1.563) 1.714 13.584 ( -0.127 0.000 -12.570) 12.570 13.634 ( 1.026 0.000 6.775) 6.852 13.764 ( 11.771 0.000 -12.871) 17.442 13.882 ( -6.414 0.000 3.984) 7.550 13.999 ( 9.687 0.000 3.766) 10.393 14.134 ( -11.788 0.000 4.586) 12.648 14.525 ( -3.907 0.000 -4.210) 5.744 14.708 ( 8.021 0.000 0.429) 8.032 14.752 ( -5.461 0.000 7.856) 9.568 14.901 ( 3.438 0.000 -7.115) 7.902 15.266 ( 1.966 0.000 3.393) 3.921 15.325 ( -4.665 0.000 6.830) 8.271 15.460 ( 5.327 0.000 3.133) 6.180 15.538 ( 4.440 0.000 -2.110) 4.916 15.560 ( -4.122 0.000 -2.433) 4.787 16.375 ( 8.726 0.000 6.935) 11.146 16.498 ( 0.007 0.000 -0.074) 0.074 16.877 ( 9.432 0.000 -6.946) 11.713 16.946 ( -8.302 0.000 6.574) 10.590 17.314 ( 6.269 0.000 -2.841) 6.883 17.957 ( -2.648 0.000 -3.271) 4.208 18.135 ( -1.399 0.000 4.963) 5.157 18.164 ( -6.934 0.000 -1.852) 7.177 18.458 ( -1.892 0.000 2.999) 3.546 18.650 ( -6.350 0.000 -6.687) 9.222 18.808 ( -2.780 0.000 2.024) 3.439 19.139 ( -1.761 0.000 1.844) 2.549 19.149 ( -13.823 0.000 -0.226) 13.825 21.650 ( 14.361 0.000 0.235) 14.363 21.729 ( 12.912 0.000 -0.448) 12.920 21.833 ( 14.262 0.000 3.235) 14.624 22.826 ( -4.239 0.000 -13.905) 14.536 27.313 ( -1.261 0.000 -0.279) 1.292 27.426 ( -3.274 0.000 -1.080) 3.448 27.608 ( -3.232 0.000 -0.615) 3.290 27.663 ( -5.622 0.000 -0.148) 5.624 36.348 ( -0.757 0.000 5.206) 5.261 36.680 ( -5.628 0.000 0.316) 5.636 37.104 ( -9.973 0.000 -8.863) 13.342 38.345 ( -16.153 0.000 39.458) 42.636 38.543 ( -14.756 0.000 -13.513) 20.008 39.065 ( -14.929 0.000 6.143) 16.143 39.351 ( -26.298 0.000 8.782) 27.726 40.114 ( -23.049 0.000 -7.032) 24.098 ======================= Grid point 4 (5/150) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 32.888 0.000 -4.048) 33.136 3.228 ( 30.935 0.000 11.235) 32.912 4.304 ( 9.590 0.000 12.399) 15.675 4.781 ( 9.565 0.000 13.083) 16.207 5.050 ( 17.637 0.000 -4.899) 18.305 5.133 ( 37.788 0.000 20.184) 42.841 5.209 ( 18.491 0.000 1.642) 18.563 5.610 ( 15.562 0.000 -4.931) 16.325 5.840 ( 20.408 0.000 -7.099) 21.608 5.884 ( 14.416 0.000 -24.288) 28.244 6.545 ( 9.006 0.000 -8.861) 12.634 6.653 ( 7.266 0.000 23.864) 24.946 7.014 ( 27.421 0.000 -14.222) 30.890 7.014 ( 13.692 0.000 16.905) 21.755 7.228 ( 17.842 0.000 11.325) 21.133 7.453 ( 4.945 0.000 -7.944) 9.357 7.547 ( 16.480 0.000 -14.013) 21.632 8.049 ( 8.012 0.000 -3.695) 8.823 8.121 ( 12.978 0.000 0.698) 12.997 8.298 ( 16.209 0.000 6.766) 17.565 8.485 ( 14.067 0.000 -3.578) 14.515 8.617 ( 18.887 0.000 0.289) 18.889 8.625 ( 7.934 0.000 8.009) 11.273 9.164 ( 18.649 0.000 -0.957) 18.673 9.387 ( -3.557 0.000 0.328) 3.572 9.412 ( 6.976 0.000 -4.183) 8.134 9.589 ( 11.115 0.000 -4.824) 12.117 9.984 ( -10.588 0.000 2.443) 10.866 10.167 ( 3.650 0.000 -3.226) 4.871 10.348 ( -8.215 0.000 0.919) 8.266 11.070 ( -10.249 0.000 -5.797) 11.775 11.136 ( -10.073 0.000 -3.804) 10.767 11.739 ( 0.799 0.000 -0.353) 0.873 11.860 ( -2.422 0.000 12.255) 12.492 12.216 ( 10.104 0.000 -9.023) 13.547 12.426 ( -6.759 0.000 -6.046) 9.069 12.916 ( -3.563 0.000 4.158) 5.476 13.017 ( 7.499 0.000 -0.193) 7.501 13.035 ( 3.217 0.000 1.268) 3.458 13.103 ( 11.048 0.000 3.740) 11.664 13.490 ( -3.323 0.000 -13.720) 14.117 13.678 ( 2.584 0.000 0.816) 2.710 13.784 ( -4.315 0.000 0.456) 4.339 13.938 ( 9.666 0.000 -5.775) 11.260 13.951 ( -8.845 0.000 6.532) 10.995 14.232 ( 10.851 0.000 5.241) 12.051 14.421 ( -4.661 0.000 -3.744) 5.978 14.572 ( -10.178 0.000 2.829) 10.564 14.832 ( -1.306 0.000 5.328) 5.485 14.910 ( -0.785 0.000 -5.645) 5.700 15.208 ( -7.496 0.000 0.978) 7.560 15.370 ( 6.358 0.000 5.484) 8.396 15.477 ( -0.342 0.000 -3.109) 3.128 15.512 ( -3.338 0.000 2.763) 4.333 15.643 ( 5.188 0.000 3.274) 6.134 16.513 ( 2.955 0.000 2.892) 4.135 16.532 ( 3.049 0.000 -0.523) 3.094 16.928 ( 4.008 0.000 12.316) 12.952 17.013 ( 8.230 0.000 -12.584) 15.037 17.394 ( 4.431 0.000 -10.237) 11.155 17.923 ( -0.244 0.000 1.403) 1.424 18.045 ( -4.898 0.000 -1.492) 5.120 18.123 ( -1.716 0.000 4.831) 5.127 18.433 ( -2.555 0.000 6.401) 6.892 18.466 ( -9.581 0.000 -6.084) 11.349 18.766 ( -1.930 0.000 0.389) 1.969 18.912 ( -10.647 0.000 0.881) 10.684 19.131 ( 0.238 0.000 0.418) 0.481 21.917 ( 12.750 0.000 0.988) 12.788 21.958 ( 10.889 0.000 -1.152) 10.950 22.110 ( 12.552 0.000 4.036) 13.185 22.691 ( -4.976 0.000 -10.042) 11.208 27.290 ( -0.972 0.000 -0.070) 0.975 27.366 ( -2.417 0.000 -1.462) 2.825 27.544 ( -3.139 0.000 -0.096) 3.141 27.559 ( -4.885 0.000 -0.552) 4.916 36.348 ( -1.088 0.000 4.248) 4.385 36.580 ( -4.542 0.000 0.483) 4.568 36.868 ( -11.401 0.000 -5.122) 12.499 38.174 ( -13.897 0.000 26.246) 29.698 38.188 ( -16.458 0.000 -13.892) 21.537 38.779 ( -16.389 0.000 5.108) 17.166 38.874 ( -25.795 0.000 9.319) 27.427 39.636 ( -22.760 0.000 -8.372) 24.251 ======================= Grid point 5 (6/150) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( 30.202 0.000 -3.459) 30.399 3.788 ( 23.503 0.000 5.180) 24.067 4.540 ( 9.133 0.000 13.810) 16.557 4.943 ( 4.013 0.000 10.686) 11.415 5.199 ( -0.710 0.000 -2.587) 2.683 5.272 ( 6.790 0.000 -4.869) 8.356 5.883 ( 14.399 0.000 -8.535) 16.738 5.990 ( 5.397 0.000 -22.452) 23.091 6.068 ( 29.183 0.000 4.320) 29.501 6.260 ( 27.877 0.000 11.836) 30.285 6.694 ( 9.023 0.000 -8.937) 12.700 6.870 ( 6.991 0.000 24.004) 25.002 7.340 ( 15.896 0.000 11.512) 19.627 7.426 ( 20.654 0.000 -6.244) 21.578 7.495 ( 1.382 0.000 1.186) 1.821 7.620 ( 16.929 0.000 -4.571) 17.535 7.866 ( 21.895 0.000 -7.007) 22.989 8.244 ( 11.905 0.000 -0.376) 11.911 8.403 ( 15.051 0.000 3.315) 15.412 8.629 ( 6.444 0.000 -5.686) 8.594 8.643 ( 13.969 0.000 9.401) 16.838 8.830 ( 9.714 0.000 4.109) 10.547 9.091 ( 25.012 0.000 2.021) 25.093 9.295 ( 2.169 0.000 -0.103) 2.172 9.350 ( 0.126 0.000 -2.492) 2.495 9.706 ( 17.573 0.000 -3.224) 17.866 9.737 ( 5.534 0.000 -5.566) 7.849 9.797 ( -7.870 0.000 -3.106) 8.461 10.154 ( -10.928 0.000 -2.709) 11.259 10.256 ( 6.067 0.000 -1.862) 6.346 10.907 ( -6.660 0.000 3.082) 7.339 10.973 ( -5.474 0.000 -3.166) 6.323 11.794 ( 4.728 0.000 3.185) 5.701 11.844 ( -3.439 0.000 9.980) 10.556 12.259 ( -7.669 0.000 -6.326) 9.941 12.393 ( 11.872 0.000 -9.609) 15.274 12.859 ( -3.529 0.000 2.960) 4.606 13.004 ( -1.221 0.000 -0.049) 1.222 13.209 ( 5.538 0.000 -3.388) 6.492 13.289 ( 6.680 0.000 4.413) 8.006 13.397 ( -0.132 0.000 -7.225) 7.226 13.715 ( -2.507 0.000 -2.575) 3.594 13.749 ( 5.009 0.000 -3.245) 5.968 13.841 ( -4.606 0.000 4.223) 6.249 14.091 ( 6.412 0.000 0.392) 6.424 14.340 ( -1.205 0.000 -6.173) 6.289 14.376 ( -7.857 0.000 -1.765) 8.052 14.427 ( 4.103 0.000 6.504) 7.690 14.750 ( -7.391 0.000 5.745) 9.361 14.817 ( -7.001 0.000 -1.033) 7.076 15.081 ( -5.179 0.000 -1.787) 5.479 15.335 ( -11.760 0.000 3.056) 12.150 15.500 ( 2.839 0.000 0.865) 2.968 15.568 ( 8.416 0.000 1.435) 8.538 15.748 ( 3.934 0.000 5.248) 6.558 16.574 ( 3.131 0.000 4.716) 5.661 16.587 ( 2.540 0.000 -2.027) 3.250 17.103 ( 7.027 0.000 -17.328) 18.699 17.123 ( 9.740 0.000 9.754) 13.784 17.420 ( 2.704 0.000 -11.031) 11.358 17.947 ( 1.197 0.000 3.076) 3.301 17.959 ( -3.648 0.000 -1.109) 3.812 18.107 ( -1.684 0.000 4.817) 5.102 18.258 ( -9.312 0.000 -5.123) 10.628 18.407 ( -3.309 0.000 10.102) 10.630 18.737 ( -1.042 0.000 0.219) 1.065 18.747 ( -6.560 0.000 0.447) 6.575 19.139 ( 0.323 0.000 -0.658) 0.733 22.138 ( 8.163 0.000 -1.489) 8.297 22.143 ( 9.993 0.000 1.409) 10.092 22.335 ( 8.964 0.000 3.759) 9.720 22.568 ( -4.380 0.000 -6.776) 8.068 27.277 ( -0.422 0.000 0.316) 0.527 27.323 ( -1.404 0.000 -1.569) 2.105 27.472 ( -3.720 0.000 -1.028) 3.859 27.489 ( -2.557 0.000 0.411) 2.590 36.335 ( -1.403 0.000 1.050) 1.753 36.519 ( -1.748 0.000 0.854) 1.945 36.641 ( -10.562 0.000 -0.558) 10.577 37.813 ( -17.195 0.000 -11.832) 20.873 38.010 ( -11.280 0.000 17.610) 20.913 38.446 ( -21.341 0.000 7.932) 22.768 38.485 ( -15.248 0.000 3.483) 15.641 39.195 ( -19.205 0.000 -8.349) 20.942 ======================= Grid point 6 (7/150) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( 25.266 0.000 -3.358) 25.488 4.171 ( 15.173 0.000 -0.141) 15.174 4.723 ( 4.277 0.000 11.143) 11.936 5.050 ( 3.443 0.000 10.117) 10.687 5.193 ( 0.972 0.000 1.299) 1.623 5.296 ( -1.588 0.000 -3.701) 4.028 5.913 ( -2.646 0.000 -22.909) 23.061 6.121 ( 11.246 0.000 -1.431) 11.336 6.378 ( 10.607 0.000 -2.078) 10.809 6.787 ( 3.274 0.000 -11.170) 11.640 6.801 ( 14.817 0.000 2.212) 14.981 7.215 ( 19.651 0.000 32.411) 37.902 7.512 ( 3.111 0.000 -0.375) 3.133 7.754 ( 16.049 0.000 -11.692) 19.856 7.763 ( 20.285 0.000 12.291) 23.718 7.869 ( 11.101 0.000 3.537) 11.651 8.289 ( 21.478 0.000 -2.736) 21.652 8.453 ( 8.401 0.000 2.729) 8.833 8.692 ( 12.276 0.000 0.252) 12.278 8.740 ( 8.310 0.000 -3.927) 9.192 8.840 ( 3.061 0.000 4.313) 5.289 8.986 ( 3.278 0.000 9.218) 9.783 9.345 ( 0.398 0.000 -2.462) 2.494 9.367 ( 5.188 0.000 -6.156) 8.050 9.508 ( 13.685 0.000 -3.869) 14.221 9.658 ( -3.018 0.000 -2.227) 3.750 9.763 ( -1.073 0.000 -4.528) 4.653 9.971 ( -2.672 0.000 -2.015) 3.347 9.980 ( 10.796 0.000 -3.559) 11.367 10.368 ( 5.357 0.000 -0.129) 5.358 10.798 ( -7.348 0.000 6.373) 9.727 10.901 ( -0.863 0.000 -2.698) 2.833 11.808 ( -3.558 0.000 8.115) 8.861 11.948 ( 8.788 0.000 7.205) 11.364 12.099 ( -6.136 0.000 -6.129) 8.672 12.600 ( 12.973 0.000 -10.224) 16.518 12.806 ( -2.842 0.000 2.040) 3.498 12.976 ( -1.809 0.000 -0.146) 1.815 13.180 ( -2.489 0.000 -10.527) 10.817 13.418 ( 5.610 0.000 4.606) 7.258 13.459 ( 3.335 0.000 4.089) 5.277 13.678 ( 0.747 0.000 -4.748) 4.806 13.787 ( -2.310 0.000 4.994) 5.502 13.835 ( 4.414 0.000 -5.520) 7.068 14.134 ( -2.346 0.000 -2.640) 3.532 14.198 ( -8.422 0.000 -3.223) 9.017 14.360 ( 5.646 0.000 -8.385) 10.108 14.458 ( -3.920 0.000 1.945) 4.376 14.669 ( -2.851 0.000 8.842) 9.290 14.686 ( -6.285 0.000 8.706) 10.738 14.982 ( -4.243 0.000 -4.415) 6.123 15.098 ( -11.936 0.000 1.282) 12.004 15.573 ( 3.667 0.000 2.191) 4.272 15.721 ( 6.453 0.000 0.367) 6.463 15.835 ( 3.148 0.000 5.449) 6.293 16.602 ( -0.026 0.000 -3.359) 3.359 16.668 ( 4.126 0.000 5.456) 6.840 17.168 ( 6.758 0.000 -17.698) 18.945 17.334 ( 8.849 0.000 4.909) 10.120 17.424 ( 1.288 0.000 -7.781) 7.887 17.893 ( -2.832 0.000 -0.618) 2.898 17.973 ( 0.117 0.000 2.991) 2.994 18.079 ( -7.432 0.000 -3.637) 8.275 18.099 ( -0.846 0.000 4.110) 4.196 18.378 ( -3.637 0.000 10.679) 11.281 18.659 ( -2.790 0.000 -0.319) 2.808 18.732 ( 0.342 0.000 1.304) 1.348 19.133 ( -0.584 0.000 -1.440) 1.554 22.263 ( 5.340 0.000 -1.451) 5.533 22.311 ( 6.824 0.000 1.316) 6.950 22.475 ( -3.087 0.000 -3.895) 4.970 22.482 ( 5.096 0.000 2.719) 5.776 27.277 ( 0.183 0.000 0.799) 0.819 27.299 ( -0.615 0.000 -1.357) 1.490 27.407 ( -2.611 0.000 -1.422) 2.973 27.449 ( -1.750 0.000 0.665) 1.872 36.292 ( -2.689 0.000 -4.048) 4.860 36.478 ( -6.646 0.000 4.895) 8.254 36.527 ( 2.307 0.000 1.477) 2.739 37.443 ( -16.936 0.000 -8.402) 18.906 37.876 ( -8.021 0.000 11.137) 13.725 38.121 ( -14.529 0.000 5.052) 15.382 38.230 ( -11.698 0.000 1.861) 11.845 38.847 ( -13.614 0.000 -6.688) 15.168 ======================= Grid point 7 (8/150) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.069 ( 16.277 0.000 -2.721) 16.502 4.377 ( 6.881 0.000 -2.290) 7.252 4.796 ( 0.765 0.000 5.906) 5.955 5.142 ( 1.321 0.000 5.910) 6.056 5.236 ( -0.517 0.000 2.256) 2.315 5.236 ( 0.358 0.000 2.560) 2.585 5.753 ( -5.230 0.000 -15.298) 16.167 6.330 ( 10.243 0.000 2.730) 10.601 6.524 ( 5.107 0.000 -0.664) 5.150 6.722 ( -5.215 0.000 -10.613) 11.825 6.964 ( 4.572 0.000 0.378) 4.588 7.589 ( 3.954 0.000 0.483) 3.984 7.638 ( 11.259 0.000 11.580) 16.151 8.000 ( 12.180 0.000 1.258) 12.245 8.075 ( 7.400 0.000 5.645) 9.307 8.197 ( 20.276 0.000 4.849) 20.848 8.573 ( 2.077 0.000 6.670) 6.986 8.613 ( 11.052 0.000 0.461) 11.061 8.861 ( -0.727 0.000 1.318) 1.505 8.867 ( 10.651 0.000 -13.083) 16.871 8.924 ( 7.668 0.000 6.209) 9.867 8.956 ( -8.090 0.000 2.853) 8.579 9.308 ( -3.585 0.000 -2.098) 4.154 9.445 ( 6.148 0.000 -7.318) 9.558 9.556 ( -1.719 0.000 -5.777) 6.027 9.643 ( -7.114 0.000 -2.826) 7.654 9.645 ( -0.212 0.000 1.905) 1.917 10.108 ( 3.759 0.000 -2.116) 4.314 10.150 ( 15.255 0.000 -0.193) 15.256 10.451 ( 3.194 0.000 0.149) 3.197 10.650 ( -10.310 0.000 5.240) 11.565 10.911 ( 1.987 0.000 -1.362) 2.409 11.774 ( -2.457 0.000 5.707) 6.213 11.988 ( -3.075 0.000 -4.559) 5.499 12.153 ( 8.336 0.000 7.774) 11.398 12.768 ( -1.582 0.000 1.092) 1.922 12.792 ( 9.000 0.000 -8.523) 12.395 12.931 ( -1.175 0.000 -3.631) 3.816 13.104 ( -2.429 0.000 -3.227) 4.039 13.489 ( -0.839 0.000 3.149) 3.259 13.551 ( 6.494 0.000 3.245) 7.259 13.716 ( 3.561 0.000 -2.989) 4.649 13.773 ( -0.769 0.000 4.579) 4.643 13.883 ( 1.981 0.000 -2.534) 3.216 14.012 ( -7.044 0.000 -7.494) 10.285 14.036 ( -6.491 0.000 -3.453) 7.352 14.366 ( -4.329 0.000 0.905) 4.423 14.432 ( 3.969 0.000 -7.318) 8.325 14.645 ( -3.721 0.000 7.654) 8.510 14.675 ( 0.109 0.000 15.312) 15.313 14.878 ( -4.233 0.000 -7.348) 8.480 14.934 ( -4.461 0.000 -0.668) 4.511 15.642 ( 2.427 0.000 1.823) 3.035 15.814 ( 3.190 0.000 -0.336) 3.208 15.908 ( 2.409 0.000 3.752) 4.459 16.570 ( -1.481 0.000 -2.973) 3.322 16.754 ( 2.663 0.000 3.631) 4.503 17.238 ( 6.021 0.000 -12.350) 13.740 17.407 ( -0.997 0.000 -2.957) 3.121 17.495 ( 6.412 0.000 1.274) 6.537 17.845 ( -1.964 0.000 0.171) 1.971 17.945 ( -5.242 0.000 -2.209) 5.688 17.976 ( -0.641 0.000 2.440) 2.523 18.102 ( -0.143 0.000 2.288) 2.292 18.350 ( -2.360 0.000 6.382) 6.805 18.626 ( -0.815 0.000 -0.190) 0.836 18.758 ( 1.406 0.000 1.922) 2.381 19.108 ( -1.185 0.000 -1.551) 1.951 22.338 ( 3.041 0.000 -1.029) 3.211 22.416 ( 3.549 0.000 0.794) 3.637 22.417 ( -1.967 0.000 -1.553) 2.507 22.557 ( 2.010 0.000 1.362) 2.428 27.287 ( -0.183 0.000 -0.806) 0.827 27.289 ( 0.628 0.000 1.145) 1.306 27.360 ( -1.690 0.000 -1.508) 2.265 27.426 ( -0.878 0.000 0.504) 1.013 36.216 ( -2.847 0.000 -3.574) 4.569 36.415 ( -2.253 0.000 4.142) 4.715 36.622 ( 6.755 0.000 2.298) 7.135 37.107 ( -14.795 0.000 -5.402) 15.750 37.788 ( -4.175 0.000 5.537) 6.935 37.924 ( -7.187 0.000 2.240) 7.528 38.058 ( -6.338 0.000 0.653) 6.371 38.627 ( -7.001 0.000 -3.694) 7.916 ======================= Grid point 8 (9/150) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.232 ( 0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 -0.000) 0.000 4.814 ( 0.000 0.000 -0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.256 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 5.658 ( 0.000 0.000 0.000) 0.000 6.517 ( -0.000 0.000 -0.000) 0.000 6.563 ( 0.000 0.000 0.000) 0.000 6.572 ( 0.000 0.000 -0.000) 0.000 7.009 ( 0.000 0.000 -0.000) 0.000 7.633 ( 0.000 0.000 -0.000) 0.000 7.752 ( 0.000 0.000 -0.000) 0.000 8.146 ( 0.000 0.000 0.000) 0.000 8.163 ( 0.000 0.000 -0.000) 0.000 8.503 ( 0.001 0.000 -0.000) 0.001 8.567 ( -0.001 0.000 0.000) 0.001 8.715 ( 0.000 0.000 0.000) 0.000 8.780 ( 0.000 0.000 0.000) 0.000 8.890 ( 0.000 0.000 0.000) 0.000 8.937 ( 0.000 0.000 0.000) 0.000 9.081 ( 0.000 0.000 -0.000) 0.000 9.218 ( -0.000 0.000 0.000) 0.000 9.505 ( 0.000 0.000 -0.000) 0.000 9.518 ( 0.000 0.000 0.000) 0.000 9.558 ( 0.000 0.000 -0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 10.134 ( 0.000 0.000 -0.000) 0.000 10.394 ( 0.000 0.000 0.000) 0.000 10.470 ( 0.000 0.000 -0.000) 0.000 10.485 ( 0.000 0.000 -0.000) 0.000 10.933 ( 0.000 0.000 -0.000) 0.000 11.759 ( 0.000 0.000 0.000) 0.000 11.950 ( 0.000 0.000 -0.000) 0.000 12.264 ( 0.000 0.000 0.000) 0.000 12.755 ( 0.000 0.000 -0.000) 0.000 12.830 ( 0.000 0.000 -0.000) 0.000 12.953 ( 0.000 0.000 -0.000) 0.000 13.065 ( 0.000 0.000 0.000) 0.000 13.484 ( 0.000 0.000 0.000) 0.000 13.643 ( 0.000 0.000 -0.000) 0.000 13.749 ( 0.000 0.000 0.000) 0.000 13.795 ( 0.000 0.000 0.000) 0.000 13.872 ( -0.000 0.000 -0.000) 0.000 13.906 ( 0.000 0.000 0.000) 0.000 13.959 ( 0.000 0.000 -0.000) 0.000 14.324 ( 0.000 0.000 0.000) 0.000 14.456 ( 0.000 0.000 -0.000) 0.000 14.612 ( 0.000 0.000 -0.000) 0.000 14.757 ( -0.000 0.000 -0.000) 0.000 14.776 ( 0.000 0.000 0.000) 0.000 14.898 ( 0.000 0.000 0.000) 0.000 15.671 ( 0.000 0.000 0.000) 0.000 15.844 ( 0.000 0.000 -0.000) 0.000 15.942 ( 0.000 0.000 -0.000) 0.000 16.546 ( 0.000 0.000 0.000) 0.000 16.788 ( 0.000 0.000 0.000) 0.000 17.285 ( -0.000 0.000 0.000) 0.000 17.381 ( 0.000 0.000 -0.000) 0.000 17.569 ( 0.000 0.000 -0.000) 0.000 17.825 ( 0.000 0.000 0.000) 0.000 17.880 ( 0.000 0.000 -0.000) 0.000 17.973 ( 0.000 0.000 0.000) 0.000 18.106 ( 0.000 0.000 0.000) 0.000 18.339 ( 0.000 0.000 0.000) 0.000 18.619 ( 0.000 0.000 0.000) 0.000 18.780 ( 0.000 0.000 -0.000) 0.000 19.090 ( 0.000 0.000 0.000) 0.000 22.380 ( 0.000 0.000 -0.000) 0.000 22.381 ( -0.000 0.000 0.000) 0.000 22.452 ( 0.000 0.000 -0.000) 0.000 22.577 ( 0.000 0.000 0.000) 0.000 27.284 ( 0.000 0.000 0.000) 0.000 27.302 ( 0.000 0.000 -0.000) 0.000 27.336 ( 0.000 0.000 0.000) 0.000 27.418 ( 0.000 0.000 0.000) 0.000 36.179 ( 0.000 0.000 0.000) 0.000 36.403 ( 0.000 0.000 -0.000) 0.000 36.763 ( 0.000 0.000 0.000) 0.000 36.881 ( 0.000 0.000 0.000) 0.000 37.757 ( 0.000 0.000 0.000) 0.000 37.859 ( 0.000 0.000 -0.000) 0.000 37.997 ( 0.000 0.000 0.000) 0.000 38.552 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 17 (10/150) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 0.000 33.778 0.000) 33.778 1.216 ( 0.000 54.567 0.000) 54.567 1.824 ( 0.000 81.024 0.000) 81.024 2.911 ( 0.000 -28.802 0.000) 28.802 3.791 ( 0.000 -5.045 0.000) 5.045 3.953 ( 0.000 -3.316 0.000) 3.316 4.128 ( 0.000 -3.149 0.000) 3.149 4.185 ( 0.000 17.581 0.000) 17.581 5.040 ( 0.000 -5.255 0.000) 5.255 5.535 ( 0.000 1.778 0.000) 1.778 5.578 ( 0.000 -1.146 0.000) 1.146 5.733 ( 0.000 4.407 0.000) 4.407 5.930 ( 0.000 -10.413 0.000) 10.413 6.355 ( 0.000 -3.983 0.000) 3.983 6.541 ( 0.000 -32.708 0.000) 32.708 6.658 ( 0.000 0.786 0.000) 0.786 7.040 ( 0.000 -17.398 0.000) 17.398 7.213 ( 0.000 -12.381 0.000) 12.381 7.311 ( 0.000 1.241 0.000) 1.241 7.461 ( 0.000 -1.403 0.000) 1.403 7.742 ( 0.000 2.267 0.000) 2.267 8.079 ( 0.000 0.607 0.000) 0.607 8.669 ( 0.000 3.191 0.000) 3.191 8.675 ( 0.000 9.046 0.000) 9.046 9.096 ( 0.000 7.856 0.000) 7.856 9.656 ( 0.000 21.419 0.000) 21.419 9.815 ( 0.000 -3.947 0.000) 3.947 10.490 ( 0.000 4.736 0.000) 4.736 10.637 ( 0.000 7.395 0.000) 7.395 11.174 ( 0.000 2.843 0.000) 2.843 11.301 ( 0.000 -8.893 0.000) 8.893 11.379 ( 0.000 -2.978 0.000) 2.978 11.792 ( 0.000 0.795 0.000) 0.795 11.890 ( 0.000 -2.331 0.000) 2.331 12.221 ( 0.000 -0.155 0.000) 0.155 12.224 ( 0.000 -5.328 0.000) 5.328 12.421 ( 0.000 -8.286 0.000) 8.286 12.489 ( 0.000 -3.040 0.000) 3.040 12.942 ( 0.000 -1.083 0.000) 1.083 12.993 ( 0.000 -4.178 0.000) 4.178 13.262 ( 0.000 3.615 0.000) 3.615 13.372 ( 0.000 6.531 0.000) 6.531 13.406 ( 0.000 -0.559 0.000) 0.559 13.867 ( 0.000 5.112 0.000) 5.112 14.143 ( 0.000 -3.086 0.000) 3.086 14.181 ( 0.000 -0.542 0.000) 0.542 14.420 ( 0.000 2.013 0.000) 2.013 14.625 ( 0.000 -0.321 0.000) 0.321 14.650 ( 0.000 1.782 0.000) 1.782 14.788 ( 0.000 -16.037 0.000) 16.037 14.919 ( 0.000 1.851 0.000) 1.851 15.038 ( 0.000 -1.479 0.000) 1.479 15.109 ( 0.000 3.702 0.000) 3.702 15.279 ( 0.000 -4.155 0.000) 4.155 15.626 ( 0.000 8.436 0.000) 8.436 15.906 ( 0.000 12.835 0.000) 12.835 16.740 ( 0.000 8.134 0.000) 8.134 16.843 ( 0.000 4.252 0.000) 4.252 17.316 ( 0.000 6.231 0.000) 6.231 17.991 ( 0.000 -9.706 0.000) 9.706 18.180 ( 0.000 4.417 0.000) 4.417 18.450 ( 0.000 -4.921 0.000) 4.921 18.570 ( 0.000 -8.873 0.000) 8.873 18.806 ( 0.000 0.250 0.000) 0.250 18.822 ( 0.000 1.288 0.000) 1.288 19.052 ( 0.000 -11.745 0.000) 11.745 19.712 ( 0.000 4.171 0.000) 4.171 19.863 ( 0.000 0.181 0.000) 0.181 21.111 ( 0.000 0.251 0.000) 0.251 21.124 ( 0.000 0.522 0.000) 0.522 21.240 ( 0.000 -0.054 0.000) 0.054 21.253 ( 0.000 -1.233 0.000) 1.233 27.423 ( 0.000 4.824 0.000) 4.824 27.627 ( 0.000 1.773 0.000) 1.773 27.705 ( 0.000 -1.871 0.000) 1.871 27.858 ( 0.000 -2.601 0.000) 2.601 36.442 ( 0.000 10.128 0.000) 10.128 37.299 ( 0.000 -7.542 0.000) 7.542 37.861 ( 0.000 5.412 0.000) 5.412 38.573 ( 0.000 -11.364 0.000) 11.364 39.662 ( 0.000 12.699 0.000) 12.699 40.223 ( 0.000 -1.214 0.000) 1.214 40.440 ( 0.000 1.007 0.000) 1.007 40.881 ( 0.000 -8.319 0.000) 8.319 ======================= Grid point 18 (11/150) ======================= q-point: ( 0.06 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 29.426 26.273 10.061) 40.710 1.482 ( 22.651 43.672 10.523) 50.309 2.145 ( 31.980 63.097 12.286) 71.798 3.110 ( 18.275 -27.387 5.159) 33.327 3.863 ( 5.141 -10.058 1.882) 11.452 4.005 ( 7.476 1.792 -0.187) 7.690 4.157 ( 8.145 8.611 9.378) 15.114 4.465 ( 23.461 7.702 -7.156) 25.709 5.204 ( 16.009 -4.986 -0.966) 16.795 5.477 ( 1.924 1.823 -14.724) 14.960 5.710 ( 2.213 1.161 -14.305) 14.521 5.781 ( 12.776 -2.301 11.927) 17.629 6.005 ( 3.089 -7.777 15.933) 17.997 6.411 ( 3.243 -8.586 5.256) 10.576 6.444 ( 0.041 -11.752 -12.574) 17.211 6.793 ( 7.297 -16.889 4.085) 18.846 7.113 ( 6.711 -12.359 6.699) 15.577 7.264 ( 5.037 -13.644 -2.252) 14.718 7.381 ( 7.283 1.196 -4.190) 8.487 7.538 ( 7.282 -0.771 0.364) 7.331 7.805 ( 7.427 1.901 -0.760) 7.704 8.121 ( 5.464 0.601 -4.706) 7.237 8.612 ( -2.094 7.832 -10.351) 13.148 8.641 ( -3.270 7.483 5.847) 10.044 9.113 ( 1.706 6.091 0.502) 6.345 9.585 ( -2.101 24.745 -1.771) 24.897 9.760 ( -5.301 -3.932 -1.900) 6.868 10.425 ( -7.770 3.506 6.898) 10.966 10.604 ( -4.545 3.918 0.946) 6.075 10.833 ( -22.733 3.245 10.697) 25.333 11.394 ( 11.557 -0.080 -1.923) 11.717 11.448 ( 6.918 -1.490 0.486) 7.094 11.783 ( -3.920 -6.297 -11.727) 13.876 11.988 ( 0.458 -7.053 -7.244) 10.121 12.178 ( -3.753 1.390 6.302) 7.465 12.339 ( 1.573 -2.603 -8.307) 8.847 12.416 ( -0.907 -0.975 10.999) 11.079 12.802 ( 24.697 -11.126 -9.953) 28.858 12.894 ( 1.896 -5.610 1.660) 6.150 13.021 ( 2.217 -4.923 -0.975) 5.486 13.216 ( -2.110 2.360 -6.343) 7.089 13.424 ( 5.594 6.405 2.581) 8.887 13.470 ( 3.141 -0.987 4.351) 5.456 13.931 ( 3.155 1.749 1.346) 3.850 14.122 ( 1.099 3.799 -1.838) 4.361 14.282 ( 2.055 0.360 -0.772) 2.224 14.488 ( 7.898 -4.196 -10.544) 13.826 14.574 ( -6.742 -0.989 3.730) 7.768 14.729 ( 4.529 -12.085 0.399) 12.912 14.812 ( 5.090 -8.568 4.822) 11.071 14.878 ( -1.254 -0.826 7.651) 7.797 14.993 ( -0.918 -8.966 4.927) 10.272 15.284 ( 8.108 1.070 2.777) 8.637 15.379 ( 8.544 1.652 -1.821) 8.890 15.673 ( 6.149 5.875 0.909) 8.553 15.939 ( 2.933 10.705 2.404) 11.357 16.699 ( -2.934 8.133 -3.424) 9.299 16.852 ( 0.246 3.344 1.537) 3.689 17.251 ( -6.225 6.128 -1.358) 8.840 17.905 ( -11.129 -4.760 0.042) 12.104 18.162 ( -3.383 4.404 4.419) 7.097 18.337 ( -15.901 6.929 -5.141) 18.091 18.448 ( -4.152 -5.501 -3.812) 7.876 18.717 ( -20.494 24.454 6.615) 32.584 18.782 ( -3.036 -0.689 -4.092) 5.141 18.932 ( -10.541 8.864 3.459) 14.200 19.068 ( 0.047 -8.603 -2.808) 9.050 19.722 ( -11.834 -0.565 -3.965) 12.494 21.178 ( 7.063 0.326 -0.146) 7.072 21.240 ( 10.519 0.220 0.897) 10.559 21.334 ( 9.777 0.673 -0.058) 9.800 22.156 ( 41.009 -38.829 -7.370) 56.954 27.398 ( -2.097 4.209 0.804) 4.771 27.596 ( -2.922 1.977 -0.268) 3.539 27.695 ( -0.947 -1.388 -1.099) 2.008 27.828 ( -3.008 -2.341 0.137) 3.814 36.434 ( -0.961 9.849 1.372) 9.990 37.234 ( -6.630 -2.536 1.876) 7.342 37.693 ( -8.167 16.946 -31.985) 37.107 38.539 ( -8.378 -10.569 25.267) 28.641 39.403 ( -34.729 19.779 21.918) 45.582 39.824 ( -25.821 25.754 13.118) 38.757 40.091 ( -14.083 -2.521 4.591) 15.025 40.768 ( -10.806 -8.298 -2.581) 13.867 ======================= Grid point 19 (12/150) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 24.343 30.160 3.768) 38.941 2.066 ( 31.138 28.320 13.771) 44.286 3.052 ( 49.923 30.694 22.285) 62.698 3.579 ( 25.461 -23.758 9.069) 35.986 3.952 ( 4.086 -9.772 4.294) 11.429 4.294 ( 20.469 4.473 2.824) 21.141 4.513 ( 24.233 7.862 3.519) 25.719 4.948 ( 26.153 5.456 -3.575) 26.954 5.499 ( 7.825 1.877 -13.965) 16.117 5.541 ( 12.632 -0.337 -8.103) 15.011 5.821 ( 20.041 -2.413 -13.069) 24.047 6.103 ( 8.171 -7.740 6.735) 13.116 6.133 ( 12.645 -9.396 10.766) 19.081 6.437 ( 5.130 -5.431 0.834) 7.517 6.612 ( 12.065 -1.992 6.469) 13.834 6.929 ( 7.155 -20.804 -1.586) 22.057 7.317 ( 8.021 -7.521 0.291) 10.999 7.371 ( 9.481 -9.937 -0.218) 13.736 7.556 ( 12.636 -2.532 -1.941) 13.032 7.726 ( 11.647 -1.794 0.049) 11.784 8.036 ( 15.389 1.537 -0.290) 15.468 8.248 ( 8.593 2.727 -4.889) 10.255 8.562 ( 2.901 8.804 -9.569) 13.323 8.626 ( 0.203 6.702 3.302) 7.474 9.171 ( 4.201 2.765 1.124) 5.153 9.583 ( 0.981 20.161 -0.012) 20.185 9.620 ( -6.595 -1.902 -6.169) 9.229 10.285 ( -8.046 2.455 5.945) 10.301 10.420 ( -14.037 0.232 3.331) 14.429 10.590 ( -7.181 2.909 6.019) 9.811 11.464 ( -6.996 -6.024 -10.865) 14.257 11.556 ( 0.697 -3.876 -9.123) 9.937 11.673 ( 1.652 -3.590 0.463) 3.979 11.832 ( -9.174 -5.671 1.402) 10.876 12.140 ( 0.046 5.917 0.299) 5.924 12.470 ( 10.641 1.723 0.541) 10.793 12.543 ( 10.264 2.748 2.667) 10.955 12.818 ( -1.356 2.709 0.054) 3.030 13.022 ( -0.499 -1.796 3.301) 3.791 13.120 ( -1.746 4.920 -0.319) 5.231 13.296 ( 17.376 -17.322 -17.935) 30.391 13.528 ( 0.436 -3.095 10.414) 10.873 13.593 ( 10.012 4.874 -0.058) 11.135 13.935 ( -0.765 -0.050 -1.596) 1.771 14.047 ( -7.083 3.187 0.159) 7.768 14.385 ( -11.680 1.319 3.876) 12.376 14.443 ( 11.954 1.871 0.088) 12.100 14.573 ( 2.619 -0.702 -6.457) 7.003 14.769 ( -4.992 -7.746 4.276) 10.159 14.814 ( 6.405 -7.554 -2.235) 10.153 15.025 ( 2.120 -8.014 5.731) 10.078 15.108 ( 10.747 -13.160 8.384) 18.947 15.422 ( 6.756 3.715 -2.141) 8.002 15.456 ( 1.184 7.044 -2.646) 7.617 15.822 ( 2.873 6.696 3.634) 8.142 16.062 ( 9.805 -0.328 3.961) 10.580 16.628 ( -2.761 7.654 -1.482) 8.271 16.852 ( -0.030 3.487 -1.791) 3.920 17.108 ( -6.649 4.457 -0.666) 8.032 17.603 ( -14.898 11.524 4.658) 19.403 18.052 ( -5.457 4.148 -2.291) 7.227 18.177 ( -2.938 3.082 1.391) 4.479 18.325 ( -7.333 -1.431 -1.987) 7.731 18.506 ( -4.015 8.459 -0.749) 9.394 18.707 ( -4.603 -5.117 -3.389) 7.672 18.884 ( -2.169 2.253 3.785) 4.910 19.064 ( -0.566 -6.979 0.606) 7.028 19.440 ( -14.698 -2.003 -2.633) 15.066 21.373 ( 12.506 0.025 0.194) 12.507 21.492 ( 14.509 -1.068 1.095) 14.589 21.566 ( 13.214 3.995 -0.001) 13.805 22.577 ( 11.448 -26.134 -12.108) 30.994 27.360 ( -1.981 2.631 0.575) 3.343 27.524 ( -4.069 1.531 -0.430) 4.369 27.659 ( -2.300 -0.741 -1.225) 2.710 27.750 ( -4.833 -1.711 0.109) 5.128 36.418 ( -1.510 8.410 2.937) 9.036 37.085 ( -8.986 5.866 3.111) 11.173 37.413 ( -9.373 16.854 -23.965) 30.761 38.438 ( -12.006 -9.298 27.066) 31.035 38.872 ( -25.279 10.314 18.477) 32.967 39.526 ( -14.873 15.638 2.285) 21.702 39.743 ( -23.305 -4.656 8.403) 25.208 40.463 ( -18.661 -7.824 -4.744) 20.783 ======================= Grid point 20 (13/150) ======================= q-point: ( 0.19 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 25.837 24.069 1.516) 35.343 2.732 ( 31.486 17.803 13.760) 38.699 4.013 ( 29.275 -13.702 14.655) 35.490 4.074 ( 9.054 -6.166 7.828) 13.464 4.182 ( 37.598 1.898 18.420) 41.910 4.764 ( 26.280 9.970 2.643) 28.231 5.004 ( 22.724 0.387 -2.361) 22.850 5.369 ( 18.776 6.769 -2.945) 20.175 5.644 ( 10.623 4.095 -9.336) 14.723 5.730 ( 17.238 6.274 -16.443) 24.635 6.171 ( 7.757 -12.031 0.600) 14.327 6.369 ( 27.706 -6.599 -8.572) 29.743 6.509 ( 20.446 -12.179 7.681) 25.007 6.608 ( 9.977 5.047 6.162) 12.766 6.915 ( 14.289 1.597 15.370) 21.047 7.096 ( 12.389 -18.019 -7.217) 23.027 7.398 ( 6.257 -3.681 -13.058) 14.941 7.623 ( 11.998 -7.654 6.111) 15.488 7.843 ( 16.337 -10.517 1.554) 19.492 7.994 ( 15.716 -2.561 3.958) 16.408 8.265 ( 8.988 8.686 -6.588) 14.129 8.423 ( 10.185 8.067 1.311) 13.059 8.666 ( 4.240 6.976 1.328) 8.271 8.757 ( 19.121 2.052 -6.967) 20.454 9.282 ( 5.922 -1.884 1.392) 6.368 9.465 ( -5.672 -3.613 -4.462) 8.071 9.616 ( 2.080 17.504 -3.385) 17.949 10.168 ( -11.294 -0.525 8.720) 14.279 10.198 ( -4.136 1.601 -1.129) 4.576 10.487 ( -5.946 1.227 1.684) 6.301 11.211 ( -11.518 -7.591 -9.591) 16.801 11.357 ( -12.414 -4.611 -10.945) 17.180 11.735 ( 0.593 -0.415 2.117) 2.237 11.782 ( -0.004 -3.504 9.933) 10.533 12.197 ( 6.295 7.713 -5.376) 11.315 12.598 ( 0.335 5.972 -6.712) 8.990 12.757 ( 10.432 -1.455 3.200) 11.008 12.906 ( 11.320 3.378 2.428) 12.061 12.999 ( -2.357 1.449 1.482) 3.139 13.085 ( -0.658 2.458 -1.521) 2.965 13.465 ( 5.246 -9.422 -10.490) 15.044 13.578 ( -0.377 -4.751 10.104) 11.171 13.754 ( 8.270 2.061 -6.738) 10.864 13.896 ( -5.623 0.131 0.269) 5.631 13.988 ( 3.520 -0.482 -1.750) 3.960 14.200 ( -6.991 4.255 7.282) 10.955 14.503 ( -4.676 -1.927 0.876) 5.133 14.616 ( -1.710 -7.864 0.129) 8.048 14.741 ( 3.499 -0.672 4.136) 5.459 14.952 ( 6.161 3.444 -3.301) 7.792 15.081 ( 2.701 -7.181 4.980) 9.146 15.281 ( 4.351 -10.885 3.549) 12.248 15.454 ( 1.629 5.489 -3.294) 6.606 15.557 ( 6.612 3.339 1.029) 7.478 15.766 ( -7.775 11.444 0.988) 13.870 16.293 ( 9.965 -6.252 6.311) 13.350 16.606 ( 1.078 8.046 -1.054) 8.186 16.843 ( -0.985 0.884 0.407) 1.384 17.018 ( -0.923 3.244 -3.796) 5.078 17.442 ( -3.404 4.589 1.128) 5.824 17.960 ( -3.372 1.192 -1.809) 4.008 18.124 ( -4.171 -0.439 4.198) 5.934 18.199 ( -4.323 2.436 -2.097) 5.387 18.452 ( -2.416 2.139 0.677) 3.297 18.575 ( -7.215 -6.777 -4.699) 10.957 18.844 ( -3.179 2.474 1.375) 4.257 19.038 ( -3.597 -3.759 0.550) 5.232 19.190 ( -8.451 -1.100 -0.213) 8.525 21.638 ( 14.093 -0.159 0.900) 14.123 21.790 ( 15.120 -1.147 1.792) 15.269 21.816 ( 12.315 4.529 -0.260) 13.124 22.641 ( 1.413 -14.794 -11.032) 18.508 27.326 ( -1.707 1.525 0.206) 2.298 27.443 ( -3.880 0.886 -0.732) 4.047 27.602 ( -3.056 -0.418 -0.893) 3.211 27.651 ( -5.169 -0.953 -0.138) 5.258 36.395 ( -2.123 6.121 3.566) 7.395 36.925 ( -8.799 8.295 4.057) 12.755 37.148 ( -10.508 11.580 -15.644) 22.119 38.278 ( -12.701 -9.536 15.378) 22.107 38.505 ( -19.267 3.294 11.623) 22.741 39.194 ( -21.468 3.714 3.731) 22.104 39.310 ( -22.692 1.514 8.136) 24.154 40.038 ( -22.456 -6.792 -6.544) 24.356 ======================= Grid point 21 (14/150) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 26.715 16.107 1.554) 31.234 3.355 ( 27.566 10.589 10.334) 31.286 4.279 ( 9.749 -3.518 10.634) 14.849 4.414 ( 12.461 -24.134 9.724) 28.849 4.912 ( 22.293 -2.080 7.923) 23.750 5.312 ( 14.591 0.039 -5.668) 15.653 5.361 ( 30.395 10.235 7.987) 33.051 5.703 ( 17.926 12.074 -2.188) 21.723 5.877 ( 16.350 4.583 -9.795) 19.603 6.047 ( 19.601 11.239 -12.643) 25.891 6.328 ( 8.974 -13.044 0.168) 15.833 6.750 ( 15.722 -10.933 2.604) 19.326 6.843 ( 10.320 8.738 12.625) 18.500 7.033 ( 27.899 -6.855 -9.920) 30.393 7.256 ( 15.543 2.537 13.481) 20.731 7.359 ( 17.939 -11.059 -7.052) 22.223 7.485 ( 8.027 -5.276 -9.763) 13.696 7.890 ( 14.037 -2.360 6.459) 15.631 8.187 ( 18.424 -10.343 0.655) 21.139 8.331 ( 15.710 1.165 5.293) 16.619 8.481 ( 15.692 7.195 1.344) 17.315 8.575 ( 5.473 6.680 -1.231) 8.723 8.796 ( 9.675 5.721 -0.043) 11.241 9.151 ( 18.536 -1.355 -1.319) 18.632 9.296 ( -2.242 -5.394 -3.324) 6.721 9.462 ( 5.667 -1.912 -4.263) 7.345 9.661 ( 4.840 9.605 -4.072) 11.501 9.971 ( -10.027 -0.542 2.932) 10.461 10.185 ( 0.387 0.336 0.826) 0.972 10.360 ( -6.629 0.836 -2.189) 7.031 11.007 ( -5.979 -5.781 -5.576) 10.013 11.089 ( -11.669 -2.790 -4.741) 12.900 11.743 ( 0.191 0.477 2.848) 2.894 11.826 ( 0.446 -2.184 8.971) 9.244 12.311 ( 6.886 5.984 -7.775) 11.986 12.511 ( -4.442 8.171 -6.118) 11.132 12.894 ( -0.628 -1.862 0.298) 1.988 13.016 ( 7.209 -0.080 0.597) 7.235 13.070 ( -0.251 3.048 -0.578) 3.112 13.163 ( 11.548 3.200 0.939) 12.020 13.484 ( 0.246 -1.692 -9.884) 10.030 13.557 ( -2.051 -6.676 7.771) 10.448 13.798 ( -3.299 0.354 -3.959) 5.165 13.909 ( 8.852 -2.696 -9.190) 13.042 13.946 ( -5.077 0.632 7.330) 8.939 14.269 ( 7.057 2.127 6.100) 9.567 14.392 ( -6.334 -2.957 1.179) 7.090 14.518 ( -6.778 -5.196 1.556) 8.681 14.813 ( 0.014 2.033 4.044) 4.526 14.937 ( -4.255 1.985 -1.177) 4.840 15.197 ( 5.101 -1.276 -1.521) 5.474 15.343 ( 1.601 -5.913 3.187) 6.905 15.464 ( -1.162 0.143 1.054) 1.575 15.581 ( -7.101 4.817 -3.789) 9.380 15.701 ( 5.057 7.506 6.823) 11.334 16.458 ( 4.648 -5.961 6.588) 10.027 16.620 ( 0.754 6.613 -4.332) 7.941 16.880 ( 5.627 -0.352 6.123) 8.324 17.046 ( 5.196 1.707 -10.290) 11.653 17.431 ( 1.636 -0.024 -4.495) 4.784 17.916 ( -1.086 0.013 1.934) 2.218 18.042 ( -4.825 -0.344 1.044) 4.949 18.141 ( -2.255 1.632 1.843) 3.338 18.398 ( -7.373 -4.526 2.228) 8.934 18.416 ( -3.744 -0.901 -3.103) 4.945 18.759 ( -5.496 -1.692 -1.512) 5.946 18.934 ( -4.999 2.509 1.618) 5.823 19.133 ( -0.151 -0.411 0.510) 0.672 21.907 ( 12.882 0.151 1.353) 12.954 22.027 ( 10.052 5.130 -1.627) 11.402 22.077 ( 12.884 -2.757 3.579) 13.653 22.592 ( -1.950 -8.201 -8.739) 12.142 27.298 ( -1.237 0.844 0.110) 1.501 27.373 ( -2.954 0.323 -0.977) 3.129 27.539 ( -3.085 -0.295 -0.512) 3.141 27.556 ( -4.415 -0.247 -0.446) 4.444 36.363 ( -2.379 3.614 3.037) 5.286 36.776 ( -8.333 4.371 4.374) 10.377 36.896 ( -10.121 11.782 -10.170) 18.566 38.043 ( -14.120 -10.678 -4.917) 18.373 38.217 ( -15.843 3.053 19.048) 24.963 38.756 ( -24.518 -5.986 9.405) 26.934 38.938 ( -18.745 8.388 2.744) 20.719 39.573 ( -22.283 -5.667 -7.741) 24.261 ======================= Grid point 22 (15/150) ======================= q-point: ( 0.31 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 25.375 9.283 1.630) 27.069 3.853 ( 20.510 4.754 5.681) 21.807 4.492 ( 7.074 -6.870 10.671) 14.530 4.653 ( 10.504 -14.561 9.780) 20.445 5.169 ( 6.093 2.813 1.665) 6.915 5.487 ( 7.478 3.522 -8.134) 11.597 5.818 ( 14.970 -1.349 -7.570) 16.829 5.992 ( 7.913 3.144 -7.344) 11.245 6.177 ( 15.184 6.793 -2.733) 16.857 6.452 ( 26.171 14.084 2.599) 29.833 6.501 ( 8.859 -12.423 -1.465) 15.328 7.034 ( 8.382 9.759 10.085) 16.346 7.145 ( 20.342 -8.420 7.585) 23.286 7.330 ( 10.191 -5.105 -8.965) 14.502 7.640 ( 18.841 6.609 11.443) 23.013 7.680 ( 15.241 -6.448 -12.290) 20.614 7.786 ( 25.175 -2.648 1.007) 25.334 8.196 ( 13.578 2.175 9.204) 16.547 8.520 ( 15.732 2.037 -3.323) 16.208 8.613 ( 6.646 1.293 1.893) 7.030 8.671 ( 10.034 1.012 3.552) 10.692 8.792 ( 11.455 -1.550 6.227) 13.130 9.069 ( 18.010 -1.117 2.525) 18.220 9.209 ( -0.233 -4.835 -6.366) 7.997 9.415 ( 5.364 2.890 1.759) 6.342 9.597 ( 9.076 -6.865 -7.999) 13.910 9.733 ( 0.590 -1.900 -7.145) 7.416 9.839 ( -0.552 4.080 0.306) 4.129 10.106 ( -7.985 -2.721 -2.014) 8.673 10.318 ( 3.510 2.791 -1.827) 4.842 10.871 ( -9.337 -3.328 -0.841) 9.948 10.946 ( -0.271 -1.523 -0.233) 1.565 11.767 ( -0.205 0.116 6.913) 6.917 11.876 ( 2.710 0.136 5.008) 5.696 12.300 ( -5.130 4.180 -6.939) 9.588 12.514 ( 7.886 9.198 -7.482) 14.240 12.841 ( -3.303 -0.978 -0.719) 3.519 13.053 ( -1.423 3.519 -0.121) 3.798 13.156 ( 5.192 -3.003 -2.740) 6.594 13.335 ( 6.000 -0.389 0.893) 6.078 13.414 ( -2.162 3.157 -2.394) 4.513 13.606 ( 1.892 -7.140 3.577) 8.207 13.759 ( 2.620 0.279 -7.668) 8.108 13.858 ( -2.700 1.286 0.419) 3.019 14.074 ( 6.380 -1.366 0.469) 6.542 14.283 ( -4.563 -5.058 -0.078) 6.813 14.385 ( -2.118 -0.660 -0.431) 2.260 14.396 ( -1.610 -1.704 3.844) 4.502 14.753 ( -5.893 3.373 4.603) 8.203 14.871 ( -3.289 4.053 0.646) 5.260 15.166 ( -6.521 4.475 -0.517) 7.926 15.288 ( -8.327 -4.815 0.399) 9.627 15.467 ( -0.609 -2.515 2.087) 3.325 15.534 ( 5.050 -1.362 -0.047) 5.230 15.835 ( 5.863 7.368 6.075) 11.205 16.532 ( 1.911 -5.766 1.560) 6.271 16.654 ( 3.781 6.878 0.592) 7.871 17.051 ( 9.244 -3.447 -3.436) 10.447 17.117 ( 6.170 0.696 -8.299) 10.365 17.443 ( 1.285 -0.586 -5.689) 5.862 17.923 ( 0.110 -1.712 3.594) 3.983 17.959 ( -3.669 -0.253 -0.024) 3.678 18.111 ( -1.907 0.648 3.607) 4.131 18.232 ( -7.680 -2.224 -2.632) 8.418 18.372 ( -2.985 -1.007 6.102) 6.868 18.657 ( -3.618 -3.839 -1.779) 5.567 18.873 ( -2.391 6.626 1.706) 7.248 19.137 ( 0.162 -0.454 -0.190) 0.518 22.133 ( 9.737 0.651 0.750) 9.787 22.192 ( 7.648 3.314 -0.900) 8.383 22.305 ( 9.181 -2.522 3.337) 10.088 22.519 ( -2.524 -4.172 -6.058) 7.777 27.280 ( -0.607 0.376 0.313) 0.780 27.323 ( -1.845 -0.119 -1.065) 2.133 27.474 ( -3.267 0.153 -1.082) 3.445 27.488 ( -2.562 -0.066 0.145) 2.567 36.329 ( -1.934 1.546 1.455) 2.872 36.612 ( -9.691 -2.513 0.806) 10.043 36.719 ( -5.284 15.042 -2.250) 16.101 37.715 ( -16.078 -8.490 -9.871) 20.688 38.023 ( -11.725 1.376 16.892) 20.608 38.356 ( -19.914 -5.694 9.485) 22.780 38.601 ( -16.392 7.774 0.631) 18.152 39.141 ( -18.937 -4.816 -7.765) 21.027 ======================= Grid point 23 (16/150) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( 21.391 3.720 0.866) 21.730 4.177 ( 11.038 -1.378 3.274) 11.595 4.640 ( 5.883 -5.200 6.955) 10.489 4.906 ( 11.131 -5.551 9.843) 15.862 5.238 ( 1.120 6.273 2.467) 6.833 5.530 ( -0.026 8.577 -6.813) 10.954 5.944 ( 1.230 2.067 -19.011) 19.163 6.072 ( 6.900 -0.990 0.683) 7.004 6.375 ( 7.891 -1.053 -3.352) 8.638 6.609 ( 3.097 -12.482 -3.877) 13.433 6.905 ( 15.006 8.423 -2.364) 17.370 7.245 ( 12.154 -1.281 9.550) 15.510 7.469 ( 9.707 1.342 4.137) 10.637 7.659 ( 22.535 -0.653 10.994) 25.082 7.926 ( 15.524 1.390 -12.339) 19.879 8.018 ( 14.829 11.800 8.914) 20.943 8.252 ( 21.441 -3.954 1.349) 21.844 8.452 ( 8.780 3.644 10.151) 13.907 8.666 ( 3.241 -1.657 -4.018) 5.422 8.774 ( 11.032 4.972 -1.425) 12.185 8.865 ( 2.926 -6.541 7.780) 10.577 8.968 ( 5.879 3.466 3.824) 7.823 9.217 ( 4.261 -5.075 -3.844) 7.661 9.414 ( 9.564 -5.605 1.096) 11.139 9.498 ( 4.430 4.107 -3.023) 6.755 9.597 ( -2.031 -5.211 -7.373) 9.254 9.749 ( 5.165 -3.526 -4.256) 7.565 9.813 ( -4.477 -5.914 -4.472) 8.661 10.069 ( 6.783 3.263 -1.669) 7.710 10.402 ( 4.408 0.435 0.391) 4.447 10.712 ( -6.961 -1.752 1.397) 7.313 10.962 ( 0.409 0.821 1.669) 1.904 11.771 ( -1.767 -0.117 6.939) 7.161 11.967 ( 3.633 -1.509 2.558) 4.693 12.183 ( -2.889 7.748 -3.193) 8.864 12.660 ( 8.365 2.702 -7.230) 11.382 12.780 ( -1.390 0.482 -2.841) 3.199 13.013 ( -2.580 3.080 -0.085) 4.019 13.162 ( -1.455 -1.953 -6.982) 7.395 13.424 ( 3.661 -2.284 2.399) 4.937 13.449 ( 3.944 0.856 3.507) 5.347 13.606 ( -1.320 -5.028 0.119) 5.200 13.819 ( 1.791 1.635 -0.623) 2.504 13.854 ( 4.032 1.703 -4.470) 6.256 14.091 ( -4.060 -1.331 -2.862) 5.143 14.204 ( -5.803 -2.210 0.551) 6.234 14.345 ( 4.251 -0.623 -5.531) 7.004 14.417 ( 0.021 -2.894 5.744) 6.432 14.653 ( -6.134 3.171 0.206) 6.908 14.792 ( -6.192 5.630 9.582) 12.722 15.034 ( -7.409 2.526 -0.670) 7.856 15.103 ( -7.410 0.329 -0.682) 7.448 15.497 ( 2.181 -5.639 1.933) 6.347 15.630 ( 3.953 -5.077 -0.079) 6.435 15.966 ( 5.423 8.718 5.095) 11.462 16.557 ( 0.668 -4.307 -1.824) 4.725 16.742 ( 4.135 6.338 2.587) 7.998 17.155 ( 6.907 -1.437 -16.847) 18.265 17.249 ( 7.125 -4.530 -0.022) 8.444 17.439 ( -0.010 -1.244 -1.875) 2.250 17.891 ( -2.782 -0.413 0.347) 2.834 17.937 ( -0.630 -3.053 1.800) 3.600 18.087 ( -4.094 0.944 1.121) 4.348 18.102 ( -2.931 0.121 1.922) 3.507 18.348 ( -1.882 -0.511 7.048) 7.313 18.609 ( -1.098 -3.261 -0.856) 3.546 18.847 ( -0.927 7.379 1.613) 7.610 19.131 ( -0.614 -0.441 -0.889) 1.167 22.274 ( 5.130 1.046 -1.313) 5.397 22.329 ( 6.321 1.583 1.117) 6.611 22.435 ( 0.974 -2.762 -1.259) 3.188 22.476 ( 2.334 -1.188 0.198) 2.627 27.276 ( -0.071 -0.033 0.705) 0.710 27.293 ( -0.860 -0.416 -1.004) 1.386 27.415 ( -2.318 0.673 -1.301) 2.742 27.449 ( -1.636 -0.051 0.357) 1.675 36.294 ( -2.032 0.823 -1.829) 2.856 36.451 ( -6.606 -1.772 2.864) 7.415 36.655 ( -1.208 9.893 0.421) 9.975 37.371 ( -15.778 -6.393 -7.564) 18.629 37.883 ( -8.083 0.744 11.079) 13.734 38.065 ( -13.292 -3.697 6.755) 15.362 38.321 ( -12.276 6.684 -0.418) 13.984 38.798 ( -13.517 -4.343 -6.297) 15.531 ======================= Grid point 24 (17/150) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.061 ( 14.184 -0.534 -0.982) 14.228 4.311 ( 2.007 -6.092 4.048) 7.585 4.782 ( 6.401 2.246 2.176) 7.124 5.135 ( 8.777 -1.523 6.899) 11.267 5.249 ( -0.397 7.700 2.653) 8.154 5.459 ( -4.550 9.368 -3.908) 11.124 5.831 ( -4.399 6.510 -12.231) 14.538 6.239 ( 8.322 -6.564 4.776) 11.625 6.474 ( 3.860 -5.384 -5.937) 8.896 6.581 ( -3.440 -9.973 -4.802) 11.592 7.066 ( 5.241 8.649 -2.594) 10.440 7.500 ( 8.997 -4.451 2.988) 10.473 7.652 ( 6.359 0.630 5.372) 8.348 8.060 ( 14.402 0.571 4.748) 15.175 8.189 ( 13.154 7.491 -0.321) 15.141 8.278 ( 9.951 7.886 2.904) 13.024 8.540 ( 5.379 -3.611 6.296) 9.034 8.635 ( 7.112 2.371 3.986) 8.491 8.751 ( 5.281 -0.511 0.465) 5.326 8.842 ( -3.343 -8.099 -0.813) 8.800 8.918 ( 2.895 1.368 1.323) 3.464 9.072 ( 5.557 7.886 -1.151) 9.716 9.276 ( -0.533 -3.179 1.834) 3.708 9.421 ( 1.201 -2.683 -7.147) 7.728 9.540 ( -1.762 -2.748 -5.218) 6.155 9.567 ( -0.276 -0.788 -2.321) 2.466 9.683 ( -2.740 -0.001 -0.120) 2.743 9.945 ( 8.737 -8.371 -0.989) 12.140 10.228 ( 9.205 1.129 -2.626) 9.639 10.457 ( -0.096 -3.140 2.576) 4.062 10.630 ( -1.704 3.065 1.640) 3.871 10.948 ( -2.193 1.540 0.669) 2.761 11.767 ( -0.738 0.299 5.064) 5.127 11.961 ( -2.546 -2.375 -3.454) 4.904 12.228 ( 5.108 5.872 4.560) 9.021 12.672 ( -3.043 -6.690 -2.033) 7.626 12.855 ( 8.363 4.994 -8.908) 13.200 12.965 ( -1.817 3.162 -0.057) 3.647 13.102 ( -2.535 -1.272 -2.011) 3.476 13.489 ( 1.673 -1.343 2.005) 2.937 13.541 ( 3.307 -1.692 1.762) 4.111 13.596 ( 1.344 -6.248 0.726) 6.432 13.841 ( 0.282 3.131 2.375) 3.940 13.896 ( 0.417 -1.224 -4.769) 4.941 13.994 ( -2.270 3.214 -3.060) 4.984 14.086 ( -5.551 1.484 -1.184) 5.866 14.387 ( -0.218 1.147 -0.299) 1.205 14.468 ( 3.327 3.167 -5.604) 7.246 14.568 ( -0.176 -2.945 3.639) 4.685 14.701 ( -7.269 1.487 11.562) 13.737 14.869 ( -7.423 -0.077 -1.566) 7.587 15.038 ( -0.778 6.063 -1.096) 6.210 15.547 ( 1.948 -7.610 1.574) 8.012 15.680 ( 1.470 -7.112 -0.542) 7.283 16.073 ( 3.671 9.650 3.171) 10.800 16.547 ( -0.624 -2.287 -2.173) 3.216 16.817 ( 2.487 5.488 1.819) 6.294 17.224 ( 5.458 -1.124 -11.456) 12.739 17.343 ( 2.990 -5.012 -4.730) 7.512 17.443 ( 0.393 -4.788 3.980) 6.239 17.848 ( -1.917 -0.073 0.739) 2.056 17.914 ( -1.702 -2.079 -1.064) 2.889 18.009 ( -2.740 2.363 1.904) 4.089 18.093 ( -0.465 -0.687 2.109) 2.266 18.348 ( -0.574 1.000 4.464) 4.610 18.596 ( -0.274 -2.545 -0.171) 2.565 18.849 ( 0.373 6.640 1.490) 6.815 19.109 ( -1.071 -0.185 -1.100) 1.547 22.342 ( 2.646 0.381 -1.073) 2.880 22.405 ( -1.185 -0.960 -1.478) 2.124 22.430 ( 3.243 1.105 0.855) 3.532 22.542 ( 2.131 -1.275 1.273) 2.790 27.275 ( -0.308 -0.588 0.082) 0.669 27.286 ( 0.292 -0.499 0.081) 0.584 27.375 ( -1.350 1.182 -1.085) 2.097 27.427 ( -0.788 0.002 0.279) 0.836 36.234 ( -2.637 1.575 -2.619) 4.037 36.389 ( -1.816 -2.035 3.552) 4.479 36.680 ( 3.633 4.787 1.269) 6.142 37.064 ( -13.159 -3.781 -4.861) 14.529 37.794 ( -4.145 0.634 5.540) 6.948 37.892 ( -6.560 -2.084 3.359) 7.659 38.135 ( -6.573 5.948 -0.597) 8.885 38.580 ( -6.986 -4.161 -3.522) 8.862 ======================= Grid point 25 (18/150) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.216 ( 0.000 -1.695 -0.000) 1.695 4.319 ( 0.000 -7.770 0.000) 7.770 4.859 ( 0.000 5.344 -0.000) 5.344 5.217 ( 0.000 4.266 0.000) 4.266 5.314 ( 0.000 5.028 0.000) 5.028 5.355 ( 0.000 7.165 0.000) 7.165 5.752 ( 0.000 7.683 0.000) 7.683 6.400 ( -0.000 -11.625 -0.000) 11.625 6.428 ( 0.000 -6.912 0.000) 6.912 6.536 ( 0.000 -4.651 -0.000) 4.651 7.113 ( 0.000 8.986 -0.000) 8.986 7.591 ( 0.000 -2.708 -0.000) 2.708 7.725 ( 0.000 -0.614 -0.000) 0.614 8.212 ( 0.000 3.032 0.000) 3.032 8.341 ( 0.000 13.770 -0.000) 13.770 8.411 ( 0.000 -7.643 -0.000) 7.643 8.631 ( 0.000 -7.932 0.000) 7.932 8.645 ( -0.000 4.193 0.000) 4.193 8.717 ( 0.000 0.943 0.000) 0.943 8.910 ( -0.000 0.824 -0.000) 0.824 8.919 ( 0.000 -1.521 0.000) 1.521 9.196 ( 0.005 4.935 -0.002) 4.935 9.198 ( -0.005 0.553 0.002) 0.553 9.436 ( 0.000 -5.523 -0.000) 5.523 9.514 ( 0.000 -2.178 0.000) 2.178 9.533 ( 0.000 1.799 -0.000) 1.799 9.668 ( 0.000 1.270 0.000) 1.270 10.024 ( 0.000 -7.104 -0.000) 7.104 10.352 ( 0.000 -4.961 0.000) 4.961 10.427 ( 0.000 -1.396 -0.000) 1.396 10.631 ( 0.000 7.680 0.000) 7.680 10.917 ( 0.000 -0.351 0.000) 0.351 11.773 ( 0.000 1.196 0.000) 1.196 11.921 ( 0.000 -2.446 -0.000) 2.446 12.304 ( 0.000 3.463 0.000) 3.463 12.625 ( 0.000 -7.698 -0.000) 7.698 12.920 ( 0.000 6.460 -0.000) 6.460 12.963 ( 0.000 0.738 0.000) 0.738 13.064 ( 0.000 -1.262 0.000) 1.262 13.507 ( 0.000 1.460 0.000) 1.460 13.561 ( 0.000 -7.978 0.000) 7.978 13.645 ( 0.000 -5.620 0.000) 5.620 13.826 ( -0.000 2.114 0.000) 2.114 13.885 ( 0.000 0.444 -0.000) 0.444 13.990 ( 0.000 5.881 0.000) 5.881 14.010 ( 0.000 3.107 -0.000) 3.107 14.367 ( 0.000 4.738 -0.000) 4.738 14.497 ( 0.000 3.194 -0.000) 3.194 14.600 ( 0.000 -0.657 -0.000) 0.657 14.652 ( -0.000 -5.377 -0.000) 5.377 14.773 ( 0.000 0.010 0.000) 0.010 15.031 ( 0.000 7.225 0.000) 7.225 15.571 ( 0.000 -8.231 0.000) 8.231 15.692 ( 0.000 -8.010 -0.000) 8.010 16.117 ( 0.000 9.988 -0.000) 9.988 16.533 ( 0.000 -1.307 -0.000) 1.307 16.845 ( 0.000 5.073 0.000) 5.073 17.262 ( 0.000 -1.593 0.000) 1.593 17.351 ( 0.000 -2.503 -0.000) 2.503 17.463 ( 0.000 -8.880 0.000) 8.880 17.828 ( 0.000 0.303 0.000) 0.303 17.890 ( 0.000 -0.032 -0.000) 0.032 17.989 ( 0.000 1.769 0.000) 1.769 18.093 ( 0.000 -1.004 0.000) 1.004 18.352 ( 0.000 1.762 0.000) 1.762 18.594 ( 0.000 -2.271 0.000) 2.271 18.859 ( 0.000 5.986 -0.000) 5.986 19.094 ( 0.000 0.035 0.000) 0.035 22.377 ( 0.002 -0.226 -0.000) 0.226 22.377 ( -0.002 -0.268 0.000) 0.268 22.464 ( 0.000 1.035 -0.000) 1.035 22.564 ( 0.000 -1.149 0.000) 1.149 27.272 ( 0.000 -0.685 0.000) 0.685 27.291 ( 0.000 -0.836 -0.000) 0.836 27.358 ( 0.000 1.573 0.000) 1.573 27.420 ( 0.000 0.025 0.000) 0.025 36.200 ( 0.000 1.871 0.000) 1.871 36.381 ( 0.000 -1.941 -0.000) 1.941 36.775 ( 0.000 0.990 0.000) 0.990 36.869 ( 0.000 -1.049 -0.000) 1.049 37.765 ( 0.000 0.637 0.000) 0.637 37.835 ( 0.000 -1.506 -0.000) 1.506 38.069 ( 0.000 5.696 -0.000) 5.696 38.506 ( 0.000 -4.124 0.000) 4.124 ======================= Grid point 34 (19/150) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 33.515 0.000) 33.515 2.193 ( 0.000 -31.889 0.000) 31.889 2.351 ( 0.000 48.465 0.000) 48.465 3.227 ( 0.000 -18.618 0.000) 18.618 3.689 ( 0.000 59.822 0.000) 59.822 3.966 ( 0.000 2.624 0.000) 2.624 4.043 ( 0.000 -4.139 0.000) 4.139 4.578 ( 0.000 16.697 0.000) 16.697 4.858 ( 0.000 -12.815 0.000) 12.815 5.189 ( 0.000 -58.687 0.000) 58.687 5.573 ( 0.000 0.963 0.000) 0.963 5.577 ( 0.000 1.316 0.000) 1.316 5.815 ( 0.000 3.274 0.000) 3.274 5.953 ( 0.000 -11.833 0.000) 11.833 6.400 ( 0.000 8.601 0.000) 8.601 6.677 ( 0.000 -15.150 0.000) 15.150 6.759 ( 0.000 8.766 0.000) 8.766 6.991 ( 0.000 -11.002 0.000) 11.002 7.370 ( 0.000 3.000 0.000) 3.000 7.423 ( 0.000 -2.042 0.000) 2.042 7.828 ( 0.000 5.312 0.000) 5.312 7.968 ( 0.000 -7.188 0.000) 7.188 8.725 ( 0.000 0.894 0.000) 0.894 8.727 ( 0.000 0.011 0.000) 0.011 9.404 ( 0.000 14.961 0.000) 14.961 9.673 ( 0.000 -9.381 0.000) 9.381 10.212 ( 0.000 25.595 0.000) 25.595 10.557 ( 0.000 -3.086 0.000) 3.086 10.792 ( 0.000 7.646 0.000) 7.646 11.033 ( 0.000 -13.387 0.000) 13.387 11.249 ( 0.000 3.573 0.000) 3.573 11.321 ( 0.000 -2.948 0.000) 2.948 11.808 ( 0.000 0.074 0.000) 0.074 11.829 ( 0.000 -2.576 0.000) 2.576 12.127 ( 0.000 -2.565 0.000) 2.565 12.171 ( 0.000 -7.821 0.000) 7.821 12.268 ( 0.000 2.905 0.000) 2.905 12.379 ( 0.000 -6.082 0.000) 6.082 12.931 ( 0.000 0.131 0.000) 0.131 12.942 ( 0.000 -0.953 0.000) 0.953 13.347 ( 0.000 3.014 0.000) 3.014 13.389 ( 0.000 -1.152 0.000) 1.152 13.589 ( 0.000 13.475 0.000) 13.475 13.878 ( 0.000 -8.326 0.000) 8.326 14.104 ( 0.000 -0.701 0.000) 0.701 14.111 ( 0.000 -2.802 0.000) 2.802 14.469 ( 0.000 2.444 0.000) 2.444 14.539 ( 0.000 -5.265 0.000) 5.265 14.635 ( 0.000 1.521 0.000) 1.521 14.668 ( 0.000 -0.575 0.000) 0.575 14.973 ( 0.000 2.654 0.000) 2.654 15.017 ( 0.000 -1.226 0.000) 1.226 15.167 ( 0.000 1.839 0.000) 1.839 15.211 ( 0.000 -2.472 0.000) 2.472 15.843 ( 0.000 10.055 0.000) 10.055 16.005 ( 0.000 -3.156 0.000) 3.156 16.943 ( 0.000 8.176 0.000) 8.176 16.980 ( 0.000 5.308 0.000) 5.308 17.503 ( 0.000 9.888 0.000) 9.888 17.736 ( 0.000 -12.007 0.000) 12.007 18.324 ( 0.000 7.329 0.000) 7.329 18.347 ( 0.000 -3.367 0.000) 3.367 18.383 ( 0.000 -3.645 0.000) 3.645 18.636 ( 0.000 -15.825 0.000) 15.825 18.858 ( 0.000 1.635 0.000) 1.635 18.886 ( 0.000 -1.421 0.000) 1.421 19.803 ( 0.000 3.550 0.000) 3.550 19.855 ( 0.000 -1.211 0.000) 1.211 21.119 ( 0.000 0.485 0.000) 0.485 21.129 ( 0.000 -0.199 0.000) 0.199 21.235 ( 0.000 -0.224 0.000) 0.224 21.237 ( 0.000 -0.243 0.000) 0.243 27.544 ( 0.000 5.570 0.000) 5.570 27.645 ( 0.000 -3.615 0.000) 3.615 27.686 ( 0.000 3.660 0.000) 3.660 27.779 ( 0.000 -4.361 0.000) 4.361 36.731 ( 0.000 15.237 0.000) 15.237 37.059 ( 0.000 -13.835 0.000) 13.835 38.038 ( 0.000 10.439 0.000) 10.439 38.298 ( 0.000 -12.895 0.000) 12.895 39.960 ( 0.000 12.879 0.000) 12.879 40.161 ( 0.000 -5.251 0.000) 5.251 40.491 ( 0.000 4.389 0.000) 4.389 40.658 ( 0.000 -10.470 0.000) 10.470 ======================= Grid point 35 (20/150) ======================= q-point: ( 0.06 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 25.757 28.511 9.052) 39.474 2.419 ( 18.959 -20.086 3.265) 27.813 2.482 ( 12.603 35.233 11.181) 39.054 3.288 ( 5.602 -19.721 5.415) 21.204 3.805 ( 10.902 55.034 2.788) 56.173 4.076 ( 12.058 5.007 0.653) 13.073 4.169 ( 12.451 -2.741 2.634) 13.018 4.756 ( 17.043 13.811 -1.323) 21.976 5.028 ( 17.201 -13.648 -2.092) 22.057 5.233 ( 5.948 -48.608 -4.027) 49.135 5.567 ( 3.463 4.735 -4.214) 7.223 5.701 ( 8.983 -5.317 -0.174) 10.440 5.873 ( 5.550 -0.231 -0.078) 5.555 5.955 ( 1.636 -9.841 -4.539) 10.960 6.467 ( 6.568 7.884 3.522) 10.849 6.676 ( 0.588 -5.500 5.435) 7.755 6.873 ( 9.200 -1.260 3.774) 10.023 7.036 ( 4.334 -10.403 0.903) 11.305 7.443 ( 7.404 3.108 -2.899) 8.538 7.501 ( 7.364 -2.255 -0.519) 7.719 7.892 ( 7.728 5.530 -2.100) 9.732 8.027 ( 7.031 -6.404 -2.027) 9.724 8.705 ( -0.453 1.521 -6.303) 6.500 8.715 ( -0.944 0.642 -0.398) 1.209 9.372 ( -2.419 13.596 -2.077) 13.964 9.623 ( -4.179 -8.865 -3.676) 10.467 10.163 ( -3.496 24.775 -0.333) 25.023 10.474 ( -8.056 -1.966 4.345) 9.362 10.685 ( -10.377 2.828 1.651) 10.881 10.797 ( -17.972 -5.715 10.152) 21.417 11.390 ( 9.430 0.166 -1.412) 9.537 11.410 ( 6.521 -1.612 -0.739) 6.758 11.696 ( -6.330 -0.409 -9.699) 11.589 11.795 ( -4.260 -8.854 -7.776) 12.530 12.241 ( -0.933 3.722 9.987) 10.699 12.323 ( 5.737 0.394 -0.158) 5.753 12.341 ( 12.764 -2.052 1.431) 13.007 12.502 ( 21.727 -11.398 -4.460) 24.937 12.900 ( -1.420 1.306 -2.659) 3.285 12.937 ( 0.171 -2.348 -1.179) 2.633 13.325 ( -1.552 5.556 -2.006) 6.108 13.423 ( 1.604 -3.330 0.625) 3.749 13.633 ( 3.720 12.448 4.215) 13.659 13.896 ( 0.411 -7.981 4.482) 9.163 14.169 ( 3.605 1.669 1.349) 4.195 14.239 ( 10.772 -5.454 0.844) 12.103 14.402 ( -2.396 1.716 -0.843) 3.065 14.475 ( -1.983 -4.153 -5.022) 6.812 14.683 ( -1.582 2.099 1.567) 3.059 14.726 ( 1.694 -1.618 1.772) 2.938 14.862 ( -5.548 0.149 4.978) 7.455 14.896 ( -2.209 -2.492 3.327) 4.707 15.337 ( 10.626 2.688 -0.522) 10.973 15.385 ( 12.087 -1.281 -1.424) 12.237 15.865 ( 2.366 9.761 -0.081) 10.044 16.024 ( 1.617 -3.160 1.116) 3.721 16.906 ( -3.693 8.196 -0.288) 8.995 16.952 ( -2.648 3.828 1.313) 4.836 17.437 ( -6.184 10.149 -2.303) 12.106 17.679 ( -5.623 -12.067 -1.165) 13.364 18.251 ( -6.873 1.322 3.485) 7.819 18.302 ( -6.103 -4.841 -0.185) 7.792 18.355 ( -0.386 4.738 -3.734) 6.045 18.597 ( -3.859 -13.921 0.476) 14.453 18.886 ( 1.423 1.606 3.541) 4.140 18.912 ( 2.039 -1.367 1.324) 2.789 19.409 ( -27.135 16.723 -5.850) 32.406 19.650 ( -16.680 -6.485 -4.419) 18.434 21.192 ( 7.261 0.964 0.140) 7.326 21.220 ( 8.372 -1.505 0.538) 8.523 21.411 ( 16.274 6.322 -0.271) 17.461 21.623 ( 27.391 -14.372 -1.078) 30.952 27.511 ( -3.137 5.375 0.623) 6.255 27.604 ( -3.673 -2.449 0.595) 4.455 27.687 ( -0.342 2.059 -1.164) 2.390 27.759 ( -2.037 -3.706 -0.074) 4.230 36.718 ( -1.606 14.990 1.147) 15.120 37.037 ( -2.543 -13.102 0.929) 13.379 37.982 ( -4.082 12.191 -8.380) 15.346 38.262 ( -4.021 -13.345 1.689) 14.040 39.762 ( -23.166 13.709 8.896) 28.351 39.990 ( -18.378 -7.120 5.940) 20.585 40.246 ( -19.225 14.280 2.784) 24.110 40.532 ( -11.704 -12.447 -1.957) 17.197 ======================= Grid point 36 (21/150) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 24.795 26.572 10.262) 37.764 2.765 ( 17.641 23.815 7.546) 30.582 2.971 ( 27.072 -15.347 13.513) 33.927 3.493 ( 12.428 -23.437 9.287) 28.106 4.102 ( 17.721 37.486 6.739) 42.008 4.452 ( 23.353 3.861 2.923) 23.850 4.531 ( 25.242 8.657 0.478) 26.690 5.136 ( 20.843 1.294 -0.995) 20.907 5.427 ( 19.240 -20.648 -8.491) 29.473 5.459 ( 22.976 -6.768 -1.540) 24.001 5.683 ( 10.205 0.962 1.471) 10.355 5.872 ( 6.527 -11.814 -0.000) 13.498 5.983 ( 10.274 -1.523 -10.128) 14.507 6.078 ( 14.763 -12.744 -10.793) 22.290 6.684 ( 12.887 6.130 9.984) 17.417 6.761 ( 5.267 1.001 10.277) 11.592 7.104 ( 11.754 -6.711 5.283) 14.530 7.154 ( 7.692 -8.723 0.250) 11.633 7.600 ( 9.756 3.544 -4.020) 11.131 7.675 ( 11.011 -3.118 -2.353) 11.683 8.128 ( 16.774 5.587 -1.443) 17.739 8.237 ( 14.984 -3.447 -1.804) 15.480 8.686 ( 1.768 2.748 -6.438) 7.219 8.707 ( 1.425 1.199 -2.465) 3.090 9.315 ( -2.168 8.908 -2.932) 9.625 9.502 ( -6.113 -7.234 -5.673) 11.040 10.104 ( -2.648 21.565 -1.209) 21.760 10.324 ( -8.793 -0.001 6.948) 11.207 10.423 ( -15.731 1.269 5.707) 16.782 10.574 ( -8.920 -6.607 5.155) 12.239 11.364 ( -9.739 -1.322 -12.366) 15.796 11.430 ( -5.282 -6.123 -12.489) 14.878 11.649 ( 3.849 1.048 4.258) 5.835 11.709 ( -1.169 -4.503 4.290) 6.328 12.275 ( 3.458 7.058 1.976) 8.104 12.444 ( 8.311 -6.628 4.313) 11.472 12.642 ( 14.605 8.456 -4.465) 17.457 12.838 ( 4.121 -3.790 -2.390) 6.088 12.951 ( 6.674 -4.422 -8.205) 11.464 12.975 ( 13.244 -6.666 -2.367) 15.014 13.275 ( -2.640 8.196 -0.212) 8.613 13.436 ( -0.712 -5.885 3.061) 6.672 13.751 ( 6.071 8.918 4.049) 11.523 13.907 ( -1.062 -3.513 3.072) 4.786 14.127 ( -6.155 4.442 0.650) 7.618 14.285 ( -4.901 -9.777 0.997) 10.982 14.522 ( 6.989 1.743 0.721) 7.239 14.547 ( 3.904 -3.222 0.831) 5.130 14.568 ( -4.023 2.971 1.443) 5.205 14.702 ( 4.855 -6.050 3.010) 8.321 14.946 ( 6.431 -0.614 4.315) 7.769 14.972 ( 5.641 -2.117 4.918) 7.778 15.512 ( 7.771 4.008 -2.324) 9.047 15.562 ( 6.041 0.724 -4.504) 7.570 15.939 ( 4.296 6.448 2.895) 8.271 16.064 ( 1.650 -3.065 2.348) 4.199 16.823 ( -4.110 8.023 1.247) 9.100 16.902 ( -2.361 0.654 -0.627) 2.529 17.275 ( -8.437 10.260 -2.267) 13.476 17.521 ( -9.476 -10.964 -0.884) 14.518 18.115 ( -7.177 1.632 1.712) 7.557 18.181 ( -6.552 -3.605 4.022) 8.491 18.318 ( -1.996 4.647 -3.831) 6.345 18.504 ( -5.330 -11.050 -0.932) 12.303 18.886 ( -10.123 12.568 2.329) 16.305 18.926 ( -1.603 1.336 3.241) 3.854 19.015 ( -3.747 6.772 -6.202) 9.918 19.301 ( -15.582 -10.932 -4.552) 19.571 21.389 ( 12.433 1.466 0.754) 12.542 21.437 ( 13.211 -2.800 1.187) 13.556 21.737 ( 16.294 11.097 -1.949) 19.810 22.062 ( 17.928 -19.231 -4.933) 26.751 27.445 ( -3.706 4.410 0.689) 5.801 27.523 ( -4.613 -2.126 0.369) 5.092 27.658 ( -2.144 1.204 -1.151) 2.715 27.703 ( -3.577 -2.432 -0.216) 4.331 36.675 ( -3.377 13.845 1.837) 14.369 36.965 ( -5.306 -11.376 1.179) 12.608 37.823 ( -8.068 16.571 -12.539) 22.291 38.156 ( -7.340 -14.494 0.764) 16.265 39.223 ( -33.236 17.516 18.971) 42.087 39.546 ( -28.724 -11.419 10.425) 32.621 39.906 ( -17.330 16.013 -0.039) 23.596 40.229 ( -17.913 -13.171 -3.583) 22.521 ======================= Grid point 37 (22/150) ======================= q-point: ( 0.19 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 18.559 26.296 9.455) 33.546 3.159 ( 18.869 10.786 9.898) 23.882 3.522 ( 23.804 -13.022 12.359) 29.816 3.804 ( 15.337 -18.683 9.297) 25.898 4.528 ( 22.429 17.606 7.925) 29.594 4.845 ( 17.918 -11.436 -2.257) 21.376 5.162 ( 34.108 25.658 3.686) 42.841 5.557 ( 23.748 2.422 -5.191) 24.429 5.751 ( 14.242 3.735 -4.639) 15.437 5.813 ( 16.287 1.470 1.064) 16.388 5.943 ( 10.592 -5.683 -2.016) 12.189 6.139 ( 22.564 -21.133 10.885) 32.775 6.245 ( 23.417 -1.107 -17.072) 29.001 6.423 ( 25.344 -16.653 -15.706) 34.152 6.938 ( 8.338 6.852 9.902) 14.646 7.016 ( 16.417 2.697 10.447) 19.645 7.273 ( 7.224 -3.205 -4.271) 8.983 7.391 ( 13.937 -11.645 6.740) 19.372 7.805 ( 12.881 4.469 0.192) 13.636 7.920 ( 14.732 -4.869 1.766) 15.616 8.455 ( 15.447 7.256 -2.811) 17.296 8.544 ( 14.626 0.330 0.211) 14.631 8.750 ( 7.066 3.759 -3.181) 8.613 8.804 ( 11.574 0.377 -3.213) 12.018 9.271 ( -1.182 1.705 -3.473) 4.045 9.362 ( -5.063 -5.447 -7.260) 10.393 10.028 ( -4.510 15.810 -3.098) 16.730 10.164 ( -11.574 -0.560 2.874) 11.939 10.227 ( -5.133 3.800 9.183) 11.185 10.438 ( -6.957 -7.971 1.124) 10.639 11.111 ( -10.008 0.333 -10.633) 14.606 11.213 ( -9.776 -7.225 -11.835) 16.965 11.726 ( 1.151 -0.201 6.954) 7.052 11.734 ( 0.462 -1.042 8.113) 8.193 12.380 ( 6.838 9.840 -4.650) 12.853 12.621 ( 6.849 -10.485 -2.354) 12.743 12.778 ( 4.474 8.339 -6.917) 11.721 12.919 ( 4.451 -3.781 -2.068) 6.196 13.052 ( 9.042 5.138 -2.084) 10.607 13.159 ( 1.385 0.230 -4.506) 4.720 13.302 ( 6.606 -0.816 0.053) 6.656 13.440 ( 0.039 -7.759 7.188) 10.576 13.836 ( 1.608 3.380 -5.253) 6.450 13.875 ( -2.569 -1.155 -2.811) 3.979 14.041 ( -2.322 6.019 4.553) 7.896 14.212 ( -3.126 -6.224 7.736) 10.410 14.432 ( -6.380 -0.292 5.376) 8.348 14.491 ( -3.390 -3.431 1.983) 5.215 14.769 ( 9.066 4.005 0.556) 9.927 14.908 ( 10.204 -7.599 1.953) 12.872 15.046 ( 2.727 2.769 3.545) 5.261 15.111 ( 5.798 -3.929 4.416) 8.279 15.584 ( -0.487 4.573 -6.995) 8.371 15.616 ( 4.073 1.460 -5.451) 6.959 15.976 ( -3.053 7.911 6.226) 10.519 16.140 ( 4.694 -7.403 6.656) 11.007 16.782 ( -0.184 6.805 -1.175) 6.908 16.864 ( -0.921 -0.651 -1.365) 1.771 17.142 ( -3.525 8.762 -2.108) 9.677 17.361 ( -5.440 -9.498 -0.487) 10.956 18.006 ( -4.828 2.737 2.447) 6.065 18.085 ( -5.178 -3.691 4.829) 7.985 18.255 ( -3.006 3.927 -2.605) 5.590 18.391 ( -5.861 -8.174 -1.186) 10.128 18.650 ( -9.396 12.805 -4.141) 16.413 18.852 ( -8.446 -3.795 -1.875) 9.448 19.011 ( 0.133 1.705 0.770) 1.875 19.102 ( -2.820 -5.752 -0.311) 6.413 21.657 ( 14.269 1.907 1.675) 14.493 21.718 ( 14.634 -3.483 2.351) 15.226 22.001 ( 11.883 10.955 -3.346) 16.505 22.291 ( 8.721 -15.464 -6.494) 18.905 27.380 ( -3.142 3.035 0.443) 4.391 27.437 ( -4.229 -1.714 0.110) 4.564 27.602 ( -3.069 0.656 -0.984) 3.289 27.626 ( -4.076 -1.294 -0.434) 4.299 36.601 ( -4.923 11.515 1.939) 12.672 36.843 ( -7.573 -9.423 0.914) 12.124 37.591 ( -10.913 20.635 -11.503) 26.023 37.984 ( -10.055 -15.834 -2.952) 18.988 38.711 ( -26.738 13.676 20.829) 36.549 39.022 ( -28.895 -13.090 13.623) 34.523 39.550 ( -19.153 13.604 -1.552) 23.544 39.832 ( -21.012 -11.654 -4.878) 24.518 ======================= Grid point 38 (23/150) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 16.795 21.465 9.643) 28.910 3.535 ( 15.454 -3.691 10.842) 19.235 3.975 ( 19.180 -5.599 9.264) 22.024 4.140 ( 15.857 -10.542 9.101) 21.105 4.965 ( 19.110 6.585 2.695) 20.391 5.156 ( 15.674 -9.696 -5.282) 19.173 5.663 ( 16.969 14.752 -0.056) 22.485 5.920 ( 11.896 -1.064 -0.660) 11.962 6.050 ( 10.610 -4.355 -2.287) 11.695 6.078 ( 16.719 7.485 -6.558) 19.457 6.285 ( 28.144 12.437 2.725) 30.890 6.600 ( 25.700 -0.870 -1.993) 25.792 6.792 ( 31.810 -15.063 3.078) 35.330 6.869 ( 24.368 -16.069 -16.281) 33.423 7.101 ( 6.181 8.069 1.737) 10.311 7.292 ( 8.067 -8.500 -6.599) 13.449 7.493 ( 19.232 10.732 10.405) 24.358 7.761 ( 21.277 -12.092 10.595) 26.669 8.105 ( 16.732 5.166 4.870) 18.176 8.251 ( 16.980 -6.194 7.206) 19.458 8.681 ( 8.666 6.460 0.180) 10.810 8.721 ( 4.683 3.409 -0.353) 5.803 8.925 ( 10.154 7.600 -2.813) 12.991 9.086 ( 12.148 -5.463 -2.041) 13.475 9.223 ( 2.004 0.779 -6.253) 6.613 9.334 ( 4.983 -7.624 -5.931) 10.868 9.920 ( -5.258 9.733 -5.857) 12.517 9.984 ( -7.147 1.341 1.544) 7.434 10.178 ( -4.027 1.501 4.975) 6.575 10.315 ( -4.621 -6.486 -1.308) 8.070 10.930 ( -5.190 0.773 -6.964) 8.720 11.008 ( -7.339 -4.597 -6.787) 11.002 11.759 ( 0.465 0.898 6.836) 6.911 11.784 ( 1.264 -1.517 8.243) 8.476 12.466 ( 3.472 8.864 -7.095) 11.873 12.641 ( -0.601 -2.653 -6.089) 6.670 12.869 ( 4.583 3.193 -5.788) 8.044 12.980 ( 4.857 -4.164 -4.623) 7.893 13.148 ( 0.359 4.508 -1.390) 4.731 13.214 ( 5.688 0.394 -1.797) 5.978 13.400 ( 4.042 -0.680 4.865) 6.361 13.484 ( -0.098 -4.453 5.790) 7.305 13.799 ( -1.860 0.398 -7.893) 8.119 13.835 ( 3.208 -2.901 -12.582) 13.305 14.030 ( -2.010 6.903 10.396) 12.640 14.208 ( -2.731 -8.199 9.390) 12.762 14.368 ( -1.746 2.674 4.308) 5.362 14.436 ( -3.233 -2.883 1.345) 4.536 14.890 ( 3.179 4.672 2.195) 6.062 14.985 ( -2.813 -0.781 4.294) 5.193 15.140 ( 5.640 -1.140 -0.946) 5.832 15.206 ( 1.970 -4.861 2.944) 6.015 15.523 ( -3.244 3.947 -4.405) 6.746 15.595 ( -4.098 -1.989 -5.996) 7.530 15.960 ( 0.594 13.504 9.218) 16.361 16.246 ( 3.018 -12.228 8.522) 15.207 16.786 ( 2.231 7.307 -6.436) 9.990 16.886 ( 4.161 -1.435 -3.143) 5.408 17.128 ( 2.312 6.723 -2.982) 7.709 17.318 ( 0.558 -9.018 -1.053) 9.096 17.942 ( -3.226 2.348 3.884) 5.568 18.008 ( -4.640 -2.990 4.051) 6.847 18.190 ( -3.100 2.872 -0.145) 4.228 18.276 ( -5.651 -5.124 0.193) 7.630 18.499 ( -4.958 7.483 -4.008) 9.831 18.667 ( -7.613 -6.576 -4.000) 10.826 19.014 ( -0.316 4.243 1.767) 4.607 19.096 ( 0.338 -2.926 1.029) 3.120 21.934 ( 13.153 2.270 2.223) 13.531 22.000 ( 13.078 -3.599 3.121) 13.918 22.176 ( 7.839 8.221 -3.642) 11.929 22.381 ( 3.610 -10.179 -6.074) 12.391 27.328 ( -2.266 1.811 0.243) 2.911 27.365 ( -3.197 -1.209 -0.106) 3.420 27.538 ( -3.053 0.283 -0.844) 3.180 27.548 ( -3.648 -0.487 -0.620) 3.733 36.505 ( -5.483 8.427 1.724) 10.201 36.687 ( -8.553 -7.362 0.636) 11.303 37.333 ( -11.598 21.225 -7.991) 25.473 37.746 ( -12.562 -16.284 -6.794) 21.659 38.340 ( -19.536 8.344 18.941) 28.461 38.560 ( -23.829 -10.705 14.512) 29.884 39.165 ( -19.444 11.275 -2.665) 22.634 39.400 ( -21.045 -9.772 -5.862) 23.932 ======================= Grid point 39 (24/150) ======================= q-point: ( 0.31 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( 15.803 14.450 9.640) 23.483 3.827 ( 10.592 -10.941 11.051) 18.816 4.347 ( 16.731 2.264 5.414) 17.730 4.482 ( 15.918 -6.536 8.729) 19.295 5.254 ( 10.477 4.964 -0.881) 11.626 5.397 ( 11.107 -7.650 -6.102) 14.802 5.924 ( 11.291 9.562 -6.457) 16.143 6.112 ( 7.962 5.049 -2.353) 9.717 6.202 ( 6.620 -11.298 -4.826) 13.956 6.253 ( 5.891 -2.252 0.534) 6.330 6.818 ( 21.616 17.729 -6.973) 28.813 7.097 ( 12.026 1.224 -11.457) 16.655 7.167 ( 25.540 -1.561 3.060) 25.770 7.282 ( 12.559 2.743 2.297) 13.058 7.402 ( 25.216 -11.098 -4.997) 27.999 7.520 ( 23.360 -11.044 8.716) 27.270 7.967 ( 22.828 13.159 10.151) 28.237 8.227 ( 19.822 -6.516 12.420) 24.283 8.467 ( 18.583 1.531 3.232) 18.924 8.585 ( 12.878 -5.780 7.661) 16.060 8.727 ( -0.938 5.534 -0.102) 5.614 8.822 ( 3.865 -0.870 2.288) 4.575 9.077 ( 6.677 3.467 -3.151) 8.157 9.154 ( 5.250 -1.191 -3.453) 6.396 9.413 ( 9.394 -2.068 -0.142) 9.620 9.437 ( 7.259 -5.934 -6.909) 11.647 9.771 ( -6.784 5.026 -7.664) 11.403 9.877 ( -5.411 -2.722 -5.491) 8.176 10.120 ( -0.778 5.948 1.203) 6.118 10.285 ( 1.124 -6.260 -0.267) 6.365 10.838 ( -3.588 1.484 -2.197) 4.461 10.900 ( -1.575 -2.960 -1.447) 3.652 11.797 ( 0.572 2.106 6.869) 7.207 11.846 ( 2.442 -2.218 5.304) 6.246 12.447 ( -1.987 8.742 -6.815) 11.261 12.616 ( 0.164 -3.802 -5.507) 6.694 12.893 ( 1.748 7.559 -6.736) 10.275 13.056 ( 3.181 -5.582 -4.750) 7.991 13.155 ( 0.625 4.835 -1.211) 5.023 13.271 ( 2.264 -4.834 -1.291) 5.492 13.462 ( -2.177 0.698 6.404) 6.799 13.496 ( 1.577 -2.393 3.705) 4.684 13.787 ( 4.549 2.767 -10.229) 11.532 13.859 ( 2.908 -2.386 -9.122) 9.867 14.064 ( 1.919 2.125 7.786) 8.295 14.159 ( -4.647 -5.469 7.616) 10.465 14.362 ( -1.368 -0.245 3.103) 3.400 14.374 ( -3.420 -0.941 1.423) 3.822 14.892 ( -3.599 7.571 2.682) 8.801 14.964 ( -0.027 3.319 4.145) 5.310 15.150 ( -5.503 -5.631 -2.359) 8.219 15.171 ( -6.124 -4.008 1.748) 7.525 15.455 ( -1.985 2.161 -1.090) 3.130 15.509 ( -0.917 -1.799 -1.117) 2.308 16.056 ( 5.122 12.278 6.919) 14.995 16.330 ( 3.171 -11.902 5.645) 13.549 16.834 ( 5.068 8.324 -7.134) 12.078 16.974 ( 6.794 -4.396 -9.407) 12.409 17.180 ( 3.527 5.437 -2.301) 6.877 17.340 ( 1.362 -7.830 -0.873) 7.995 17.903 ( -2.377 0.412 3.990) 4.662 17.934 ( -4.169 -1.850 2.786) 5.345 18.138 ( -2.685 1.563 2.201) 3.807 18.179 ( -4.788 -2.272 2.207) 5.740 18.421 ( -2.037 5.183 -1.905) 5.886 18.552 ( -2.967 -5.831 -3.076) 7.229 19.010 ( -0.752 5.541 1.522) 5.795 19.103 ( -0.086 -2.875 0.737) 2.970 22.167 ( 9.904 2.434 1.746) 10.347 22.233 ( 9.473 -3.140 2.833) 10.374 22.288 ( 5.237 4.741 -2.709) 7.566 22.406 ( 1.436 -5.675 -4.393) 7.319 27.294 ( -1.342 0.866 0.229) 1.613 27.314 ( -2.030 -0.757 -0.225) 2.178 27.479 ( -2.670 0.310 -0.970) 2.858 27.485 ( -2.534 -0.206 -0.452) 2.582 36.410 ( -4.731 5.234 1.330) 7.180 36.528 ( -7.883 -4.984 0.811) 9.362 37.096 ( -10.214 18.050 -4.880) 21.306 37.460 ( -13.824 -14.594 -7.379) 21.414 38.085 ( -13.709 4.501 15.124) 20.903 38.213 ( -17.225 -6.841 12.518) 22.365 38.795 ( -17.210 9.480 -3.317) 19.926 38.994 ( -18.206 -8.295 -6.074) 20.908 ======================= Grid point 40 (25/150) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.833 ( 13.258 7.545 7.970) 17.211 4.033 ( 6.715 -10.008 10.364) 15.895 4.666 ( 14.710 6.554 2.584) 16.310 4.808 ( 14.519 -5.146 6.893) 16.876 5.387 ( 4.098 6.802 -0.059) 7.942 5.535 ( 5.097 -5.987 -5.011) 9.324 6.034 ( 3.640 7.789 -10.852) 13.845 6.163 ( -1.200 5.791 -1.986) 6.239 6.279 ( 5.359 -8.266 -11.921) 15.465 6.353 ( 2.778 -8.203 2.805) 9.104 7.124 ( 12.837 9.542 -4.494) 16.614 7.226 ( 9.703 -0.422 -2.328) 9.987 7.510 ( 12.587 3.118 0.008) 12.967 7.657 ( 18.773 -7.062 -4.726) 20.606 7.874 ( 24.528 4.966 7.003) 25.987 8.071 ( 23.945 -9.370 9.574) 27.438 8.375 ( 13.924 14.516 9.154) 22.100 8.538 ( 6.852 0.849 11.279) 13.224 8.679 ( 1.712 -0.727 -4.289) 4.675 8.721 ( 3.055 -3.702 1.901) 5.162 8.864 ( 14.547 2.795 0.729) 14.831 8.949 ( 7.948 -3.673 3.978) 9.617 9.192 ( 4.440 1.429 2.114) 5.121 9.266 ( 5.165 -5.661 2.872) 8.183 9.497 ( 3.392 -0.554 -6.032) 6.942 9.576 ( 6.540 -3.551 -0.778) 7.483 9.636 ( -2.184 1.894 -10.764) 11.145 9.733 ( -5.304 -4.128 -6.265) 9.189 10.168 ( 4.266 6.112 -0.804) 7.496 10.318 ( 1.578 -6.735 -0.437) 6.931 10.781 ( -1.700 5.995 1.193) 6.344 10.908 ( 1.055 -4.939 1.954) 5.415 11.818 ( -0.685 3.551 4.323) 5.637 11.901 ( 1.109 -3.763 2.021) 4.413 12.384 ( -1.505 9.940 -4.062) 10.843 12.585 ( -1.646 -7.569 -4.504) 8.961 12.913 ( 3.070 8.144 -7.025) 11.185 13.059 ( -0.633 -3.867 -2.780) 4.805 13.144 ( -1.295 5.528 -2.128) 6.064 13.311 ( 1.965 -7.517 -0.536) 7.787 13.470 ( 1.389 1.022 3.556) 3.952 13.512 ( -0.236 -3.066 2.613) 4.036 13.852 ( 3.835 1.818 -6.688) 7.921 13.882 ( 2.091 -0.058 -4.942) 5.367 14.093 ( -2.017 0.992 3.237) 3.941 14.130 ( -1.157 -2.883 5.654) 6.451 14.339 ( 0.787 0.086 -0.056) 0.794 14.359 ( 0.879 -1.935 3.841) 4.390 14.814 ( -4.948 10.230 -2.634) 11.665 14.912 ( -9.172 5.173 5.939) 12.090 15.015 ( -8.098 -3.977 0.139) 9.023 15.050 ( -1.690 -6.750 3.411) 7.750 15.436 ( -0.130 1.727 -1.079) 2.041 15.522 ( 1.149 -4.843 -0.780) 5.038 16.183 ( 5.381 10.729 4.673) 12.880 16.408 ( 3.074 -9.137 2.245) 9.898 16.912 ( 5.130 8.217 -6.266) 11.537 17.069 ( 7.341 -6.023 -13.191) 16.253 17.232 ( 2.217 3.067 -0.735) 3.855 17.348 ( -0.828 -6.243 1.470) 6.467 17.876 ( -2.590 -0.701 1.949) 3.316 17.880 ( -1.254 -1.385 2.203) 2.889 18.101 ( -2.110 0.277 2.854) 3.560 18.105 ( -3.865 0.017 2.899) 4.832 18.401 ( 0.026 4.822 0.495) 4.847 18.517 ( -0.251 -5.109 -1.159) 5.245 18.999 ( -0.759 6.036 1.131) 6.188 19.098 ( -0.637 -2.907 0.193) 2.982 22.309 ( 4.309 2.210 -1.103) 4.967 22.368 ( 3.061 -2.826 -0.613) 4.211 22.376 ( 4.790 2.324 0.236) 5.329 22.434 ( 3.523 -2.514 0.309) 4.339 27.277 ( -0.630 0.156 0.355) 0.740 27.284 ( -1.004 -0.422 -0.281) 1.125 27.432 ( -1.829 0.753 -0.908) 2.176 27.444 ( -1.569 -0.382 -0.294) 1.642 36.336 ( -3.344 2.758 0.348) 4.349 36.400 ( -5.492 -2.837 1.723) 6.417 36.912 ( -7.136 12.725 -2.791) 14.854 37.177 ( -12.469 -10.980 -5.569) 17.523 37.914 ( -8.885 2.291 10.361) 13.841 37.981 ( -11.001 -3.680 8.841) 14.585 38.490 ( -12.774 8.327 -3.196) 15.580 38.666 ( -13.228 -7.416 -5.139) 16.012 ======================= Grid point 41 (26/150) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.069 ( 8.513 1.953 3.733) 9.498 4.160 ( 2.714 -6.273 7.602) 10.222 4.925 ( 10.825 8.948 1.023) 14.082 5.084 ( 11.264 -4.445 4.622) 12.961 5.428 ( 0.481 7.646 0.728) 7.695 5.547 ( -2.018 -1.926 -4.037) 4.907 5.998 ( -2.807 8.007 -7.565) 11.367 6.137 ( -0.052 -3.141 0.816) 3.245 6.313 ( 2.263 -5.050 -10.420) 11.799 6.381 ( 0.431 -7.994 0.096) 8.006 7.288 ( 6.340 9.735 -2.375) 11.857 7.429 ( 8.233 -3.398 3.289) 9.494 7.721 ( 8.606 6.953 -0.757) 11.090 7.944 ( 12.663 -11.230 -4.341) 17.474 8.272 ( 12.936 6.983 5.955) 15.861 8.438 ( 10.005 -5.862 4.887) 12.584 8.523 ( 1.120 5.847 5.527) 8.123 8.616 ( -0.136 -6.393 2.082) 6.724 8.733 ( 5.191 5.514 -0.978) 7.636 8.823 ( 4.248 1.486 5.921) 7.437 8.986 ( 0.640 5.069 -1.890) 5.448 9.122 ( 6.258 -5.567 -2.398) 8.712 9.250 ( 0.984 2.737 4.552) 5.402 9.330 ( 0.575 -4.551 2.508) 5.228 9.533 ( 3.109 4.703 -5.705) 8.021 9.605 ( 1.357 3.368 -4.159) 5.521 9.649 ( 1.349 -2.968 -1.721) 3.687 9.753 ( 7.460 -9.475 -0.813) 12.087 10.243 ( 3.476 1.588 -2.000) 4.313 10.326 ( -0.501 -6.013 -0.147) 6.036 10.781 ( 0.734 7.958 1.977) 8.232 10.921 ( -0.834 -4.226 1.971) 4.737 11.810 ( -0.928 3.397 2.147) 4.124 11.892 ( -1.786 -3.721 -1.128) 4.279 12.375 ( 1.172 7.179 -0.418) 7.286 12.527 ( -2.474 -6.599 -3.149) 7.719 12.952 ( 3.083 3.594 -5.946) 7.601 13.033 ( -1.353 -3.290 -0.504) 3.592 13.111 ( -0.967 8.845 -0.728) 8.927 13.335 ( 0.670 -10.323 -0.361) 10.351 13.516 ( 1.249 -0.279 1.052) 1.656 13.529 ( 1.606 -1.439 1.755) 2.781 13.883 ( 1.033 0.484 -5.085) 5.212 13.886 ( 0.584 0.855 -0.290) 1.075 14.069 ( -1.707 2.129 2.752) 3.875 14.093 ( -3.409 -0.478 3.218) 4.713 14.403 ( 5.485 0.861 -1.697) 5.806 14.444 ( 6.000 -2.922 0.878) 6.732 14.683 ( -6.348 8.242 -3.153) 10.870 14.746 ( -9.212 1.681 4.847) 10.545 14.885 ( -5.557 3.512 2.808) 7.148 15.061 ( 0.505 -6.767 1.415) 6.931 15.432 ( 0.074 0.564 -0.917) 1.079 15.531 ( 0.170 -6.411 -0.813) 6.465 16.286 ( 3.578 9.400 2.586) 10.386 16.459 ( 1.634 -6.033 0.387) 6.262 16.975 ( 3.146 8.440 -3.983) 9.849 17.157 ( 6.448 -6.983 -12.188) 15.456 17.258 ( 0.670 -0.035 0.025) 0.671 17.321 ( -2.945 -5.058 4.989) 7.691 17.848 ( -0.948 0.425 1.008) 1.448 17.871 ( -0.293 -1.638 0.465) 1.728 18.054 ( -2.277 1.487 2.079) 3.423 18.077 ( -1.248 -0.819 1.892) 2.410 18.414 ( 0.600 4.575 1.178) 4.762 18.518 ( 0.299 -4.467 -0.048) 4.478 18.992 ( -0.319 5.730 0.712) 5.783 19.083 ( -0.753 -2.540 -0.186) 2.656 22.355 ( 1.570 0.888 -1.178) 2.154 22.379 ( 0.072 -1.239 -1.343) 1.828 22.463 ( 3.012 1.840 0.995) 3.667 22.505 ( 2.503 -1.950 1.109) 3.361 27.268 ( -0.411 -0.057 0.076) 0.422 27.273 ( -0.135 -0.517 0.044) 0.536 27.402 ( -0.920 1.174 -0.580) 1.601 27.422 ( -0.739 -0.543 -0.147) 0.928 36.280 ( -2.282 2.508 -0.416) 3.416 36.337 ( -1.943 -2.604 1.898) 3.763 36.809 ( -2.479 6.616 -1.030) 7.140 36.952 ( -8.703 -6.156 -3.317) 11.164 37.815 ( -4.403 1.265 5.309) 7.012 37.849 ( -5.368 -1.785 4.590) 7.285 38.289 ( -6.789 7.733 -2.044) 10.491 38.455 ( -6.927 -7.032 -2.992) 10.314 ======================= Grid point 42 (27/150) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.173 ( 0.001 -1.381 -0.000) 1.381 4.189 ( -0.000 -3.354 0.000) 3.354 5.047 ( 0.000 10.382 -0.000) 10.382 5.225 ( 0.000 -4.234 -0.000) 4.234 5.442 ( 0.000 4.995 0.000) 4.995 5.477 ( -0.000 2.456 -0.000) 2.456 5.943 ( 0.000 9.058 0.000) 9.058 6.147 ( 0.000 -10.347 -0.000) 10.347 6.307 ( 0.000 -1.814 0.000) 1.814 6.387 ( 0.000 -7.559 -0.000) 7.559 7.347 ( 0.000 10.629 -0.000) 10.629 7.518 ( 0.000 -4.860 -0.000) 4.860 7.808 ( 0.000 8.801 -0.000) 8.801 8.072 ( 0.000 -13.593 0.000) 13.593 8.409 ( 0.000 6.678 -0.000) 6.678 8.520 ( 0.000 0.340 0.000) 0.340 8.540 ( 0.000 -0.249 0.000) 0.249 8.620 ( 0.000 -7.140 0.000) 7.140 8.785 ( -0.000 6.065 0.000) 6.065 8.875 ( 0.000 -2.563 -0.000) 2.563 8.982 ( 0.000 7.075 0.000) 7.075 9.162 ( 0.000 -7.434 -0.000) 7.434 9.271 ( 0.000 3.519 -0.000) 3.519 9.337 ( 0.000 -3.058 0.000) 3.058 9.572 ( 0.000 9.709 0.000) 9.709 9.606 ( 0.000 4.047 0.000) 4.047 9.670 ( 0.000 -1.324 0.000) 1.324 9.839 ( 0.000 -10.992 -0.000) 10.992 10.275 ( 0.000 -1.563 -0.000) 1.563 10.316 ( 0.000 -5.565 0.000) 5.565 10.800 ( 0.000 7.118 0.000) 7.118 10.907 ( 0.000 -2.138 -0.000) 2.138 11.809 ( 0.000 2.020 0.000) 2.020 11.860 ( 0.000 -2.707 -0.000) 2.707 12.396 ( 0.000 4.390 -0.000) 4.390 12.489 ( 0.000 -4.635 -0.000) 4.635 12.977 ( 0.000 0.664 0.000) 0.664 13.011 ( 0.000 -2.535 -0.000) 2.535 13.104 ( 0.000 9.937 -0.000) 9.937 13.339 ( 0.000 -11.144 0.000) 11.144 13.528 ( 0.000 0.524 0.000) 0.524 13.554 ( 0.000 -2.543 -0.000) 2.543 13.878 ( 0.000 2.172 0.000) 2.172 13.897 ( 0.000 0.328 -0.000) 0.328 14.054 ( 0.000 0.882 0.000) 0.882 14.060 ( 0.000 0.566 -0.000) 0.566 14.489 ( 0.000 3.185 0.000) 3.185 14.533 ( 0.000 -1.546 0.000) 1.546 14.602 ( 0.000 1.909 -0.000) 1.909 14.622 ( -0.000 1.761 0.000) 1.761 14.830 ( 0.000 8.247 0.000) 8.247 15.069 ( 0.000 -7.337 0.000) 7.337 15.432 ( 0.000 -0.213 0.000) 0.213 15.529 ( 0.000 -6.720 -0.000) 6.720 16.328 ( 0.000 8.724 0.000) 8.724 16.475 ( 0.000 -4.498 -0.000) 4.498 16.998 ( 0.000 8.730 0.000) 8.730 17.208 ( 0.000 -7.987 -0.000) 7.987 17.266 ( 0.000 -2.966 -0.000) 2.966 17.289 ( -0.000 -2.680 0.000) 2.680 17.842 ( 0.000 0.962 0.000) 0.962 17.869 ( 0.000 -1.420 0.000) 1.420 18.035 ( 0.000 1.913 0.000) 1.913 18.068 ( 0.000 -1.240 0.000) 1.240 18.423 ( 0.000 4.434 0.000) 4.434 18.522 ( 0.000 -4.167 0.000) 4.167 18.991 ( 0.000 5.330 -0.000) 5.330 19.074 ( 0.000 -2.202 0.000) 2.202 22.372 ( 0.002 -0.135 -0.000) 0.135 22.372 ( -0.002 -0.142 0.000) 0.142 22.494 ( 0.000 1.621 -0.000) 1.621 22.531 ( 0.000 -1.719 0.000) 1.719 27.264 ( 0.000 0.010 0.000) 0.010 27.273 ( 0.000 -0.725 -0.000) 0.725 27.392 ( 0.000 1.369 0.000) 1.369 27.414 ( 0.000 -0.606 0.000) 0.606 36.256 ( 0.000 3.022 0.000) 3.022 36.324 ( 0.000 -3.055 -0.000) 3.055 36.803 ( 0.000 1.564 0.000) 1.564 36.839 ( 0.000 -1.609 -0.000) 1.609 37.783 ( 0.000 0.969 0.000) 0.969 37.806 ( 0.000 -1.156 0.000) 1.156 38.219 ( 0.000 7.557 -0.000) 7.557 38.381 ( 0.000 -6.939 0.000) 6.939 ======================= Grid point 85 (28/150) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -1.816 0.000 41.041) 41.082 1.036 ( -14.101 0.000 50.891) 52.809 2.006 ( 10.208 0.000 96.192) 96.732 3.534 ( -0.571 0.000 6.845) 6.869 3.648 ( 1.806 0.000 5.310) 5.609 3.668 ( 12.412 0.000 -19.903) 23.456 4.166 ( -1.314 0.000 13.196) 13.261 4.262 ( -6.712 0.000 3.470) 7.556 4.961 ( 1.462 0.000 -12.997) 13.079 5.288 ( 2.604 0.000 -30.437) 30.548 5.341 ( -5.699 0.000 -1.854) 5.993 5.947 ( 5.142 0.000 20.320) 20.961 6.359 ( 1.142 0.000 -0.372) 1.201 6.449 ( -11.780 0.000 -11.508) 16.468 6.616 ( -0.696 0.000 9.627) 9.652 7.124 ( 4.193 0.000 7.395) 8.501 7.260 ( -0.942 0.000 -5.576) 5.655 7.386 ( -6.742 0.000 -0.738) 6.782 7.399 ( -3.234 0.000 -8.975) 9.540 7.489 ( 4.929 0.000 -7.836) 9.257 7.691 ( 5.593 0.000 -3.464) 6.579 8.058 ( -5.504 0.000 9.039) 10.583 8.265 ( -1.668 0.000 -29.086) 29.134 8.510 ( 3.121 0.000 -4.535) 5.505 9.142 ( -0.985 0.000 5.701) 5.785 9.236 ( -2.980 0.000 9.742) 10.188 10.091 ( -5.305 0.000 2.025) 5.678 10.403 ( 2.920 0.000 -2.622) 3.924 10.939 ( 11.897 0.000 -3.190) 12.317 11.020 ( 31.808 0.000 -4.691) 32.152 11.170 ( -11.171 0.000 2.516) 11.451 11.378 ( 2.068 0.000 0.243) 2.082 11.859 ( -9.871 0.000 -4.870) 11.007 11.950 ( -36.617 0.000 -0.573) 36.621 11.994 ( 6.504 0.000 -5.059) 8.240 12.046 ( 11.991 0.000 -13.706) 18.211 12.537 ( 1.586 0.000 2.886) 3.293 12.571 ( -2.554 0.000 2.714) 3.727 13.029 ( 0.608 0.000 5.683) 5.715 13.113 ( -1.068 0.000 3.600) 3.755 13.326 ( -0.438 0.000 5.399) 5.417 13.444 ( -2.890 0.000 2.600) 3.888 13.725 ( -15.593 0.000 0.979) 15.624 13.778 ( 0.702 0.000 -0.043) 0.703 14.034 ( -3.778 0.000 1.663) 4.128 14.186 ( 5.114 0.000 -1.271) 5.269 14.407 ( 0.525 0.000 1.823) 1.897 14.650 ( 4.557 0.000 1.650) 4.847 14.887 ( 2.583 0.000 0.437) 2.620 14.945 ( -7.682 0.000 -6.379) 9.985 14.976 ( 0.010 0.000 5.891) 5.891 15.183 ( 4.111 0.000 4.880) 6.381 15.374 ( -2.786 0.000 -0.317) 2.804 15.627 ( -5.252 0.000 2.252) 5.715 15.658 ( 2.551 0.000 11.028) 11.320 16.245 ( 2.422 0.000 7.608) 7.984 16.411 ( -5.057 0.000 -9.530) 10.789 16.807 ( 1.410 0.000 -3.036) 3.347 17.171 ( 2.255 0.000 -7.248) 7.590 17.963 ( -9.110 0.000 -14.407) 17.046 18.050 ( -2.129 0.000 4.317) 4.813 18.462 ( -1.306 0.000 -1.447) 1.949 18.528 ( -1.692 0.000 -8.546) 8.712 18.699 ( 0.258 0.000 -5.234) 5.240 18.921 ( 0.937 0.000 8.204) 8.257 19.125 ( 2.526 0.000 14.377) 14.597 19.200 ( -1.114 0.000 0.321) 1.160 19.645 ( -5.638 0.000 -1.287) 5.783 21.108 ( -0.234 0.000 -0.020) 0.235 21.127 ( -5.248 0.000 0.898) 5.325 21.228 ( 19.121 0.000 -1.951) 19.221 21.245 ( -0.270 0.000 -0.360) 0.449 27.384 ( 0.829 0.000 1.697) 1.889 27.562 ( 0.140 0.000 -1.437) 1.443 27.735 ( -0.912 0.000 0.870) 1.260 27.872 ( 0.428 0.000 -1.354) 1.420 36.391 ( 1.121 0.000 5.979) 6.083 36.871 ( 0.394 0.000 -1.797) 1.839 37.443 ( -3.612 0.000 5.205) 6.335 38.938 ( -1.950 0.000 -16.838) 16.950 39.607 ( 0.419 0.000 9.809) 9.818 40.254 ( 2.709 0.000 0.886) 2.850 41.000 ( -3.088 0.000 2.410) 3.917 41.416 ( 41.811 0.000 -3.139) 41.929 ======================= Grid point 86 (29/150) ======================= q-point: ( 0.06 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 5.959 0.000 43.162) 43.571 1.410 ( 35.544 0.000 29.309) 46.070 2.765 ( 30.970 0.000 85.056) 90.519 3.722 ( 11.485 0.000 -5.421) 12.700 3.756 ( 19.998 0.000 4.536) 20.506 4.062 ( 24.274 0.000 -3.761) 24.563 4.203 ( 0.236 0.000 16.112) 16.114 4.320 ( 13.013 0.000 0.312) 13.016 5.078 ( 13.510 0.000 -16.701) 21.481 5.261 ( 7.693 0.000 -24.140) 25.336 5.276 ( -1.595 0.000 1.438) 2.148 6.203 ( 12.520 0.000 19.146) 22.876 6.231 ( -4.895 0.000 -12.435) 13.364 6.437 ( 7.518 0.000 -2.854) 8.042 6.595 ( -2.482 0.000 15.819) 16.012 7.110 ( -1.499 0.000 -17.645) 17.708 7.312 ( 8.704 0.000 -5.860) 10.493 7.330 ( -0.963 0.000 7.002) 7.068 7.485 ( 10.395 0.000 10.400) 14.704 7.660 ( 13.639 0.000 -0.529) 13.649 7.841 ( 10.653 0.000 -5.861) 12.159 7.921 ( -7.401 0.000 11.105) 13.345 8.077 ( -3.877 0.000 -38.077) 38.274 8.537 ( 1.651 0.000 -6.970) 7.163 9.129 ( -0.834 0.000 4.191) 4.273 9.263 ( 1.201 0.000 12.579) 12.636 9.888 ( -12.144 0.000 1.981) 12.305 10.356 ( -6.268 0.000 -2.567) 6.773 10.805 ( -14.594 0.000 3.767) 15.072 11.031 ( -18.017 0.000 9.732) 20.478 11.306 ( 13.677 0.000 -4.432) 14.377 11.412 ( -6.314 0.000 -6.633) 9.157 11.661 ( -6.640 0.000 -10.126) 12.109 11.672 ( 12.653 0.000 -9.063) 15.564 12.171 ( 11.353 0.000 -2.641) 11.656 12.407 ( -12.590 0.000 3.954) 13.197 12.408 ( 15.768 0.000 -10.282) 18.824 12.629 ( 11.802 0.000 -4.593) 12.664 13.002 ( -2.954 0.000 4.308) 5.223 13.090 ( -2.090 0.000 2.778) 3.476 13.254 ( -9.095 0.000 4.914) 10.338 13.377 ( 3.278 0.000 2.242) 3.971 13.761 ( 5.751 0.000 10.740) 12.183 13.890 ( 2.232 0.000 0.589) 2.308 14.069 ( 12.951 0.000 1.653) 13.056 14.313 ( -9.093 0.000 2.998) 9.575 14.354 ( 9.212 0.000 -1.472) 9.329 14.647 ( -7.242 0.000 3.422) 8.010 14.825 ( -1.547 0.000 -1.376) 2.070 14.972 ( 4.818 0.000 -5.005) 6.947 15.064 ( 5.291 0.000 10.418) 11.684 15.298 ( 6.205 0.000 1.646) 6.420 15.350 ( 0.474 0.000 3.370) 3.403 15.519 ( -5.291 0.000 -2.792) 5.983 15.731 ( -0.158 0.000 10.427) 10.429 16.307 ( 1.299 0.000 10.117) 10.200 16.350 ( 1.951 0.000 -7.219) 7.478 16.787 ( -2.463 0.000 -5.451) 5.981 17.170 ( -0.230 0.000 -4.226) 4.232 17.489 ( -24.003 0.000 -0.982) 24.023 18.010 ( -2.655 0.000 4.258) 5.018 18.388 ( -5.522 0.000 8.583) 10.206 18.423 ( -5.867 0.000 -5.789) 8.242 18.594 ( -8.759 0.000 12.309) 15.107 18.674 ( -0.662 0.000 -6.416) 6.450 19.011 ( -9.225 0.000 3.123) 9.739 19.312 ( 2.393 0.000 8.860) 9.178 19.627 ( -7.606 0.000 -3.592) 8.411 21.167 ( 6.864 0.000 -0.575) 6.888 21.225 ( 10.906 0.000 -0.986) 10.950 21.347 ( 10.118 0.000 0.656) 10.139 22.013 ( 38.555 0.000 -34.898) 52.003 27.382 ( -1.457 0.000 2.305) 2.727 27.535 ( -2.217 0.000 -1.663) 2.772 27.706 ( -2.249 0.000 0.226) 2.260 27.843 ( -2.862 0.000 -1.121) 3.074 36.435 ( 0.693 0.000 6.868) 6.903 36.843 ( -2.491 0.000 -1.996) 3.192 37.381 ( -5.505 0.000 6.075) 8.198 38.779 ( -7.398 0.000 -18.828) 20.229 39.570 ( -8.322 0.000 10.394) 13.315 40.183 ( -10.144 0.000 1.185) 10.213 40.750 ( -66.271 0.000 45.969) 80.654 40.827 ( -14.796 0.000 -0.829) 14.819 ======================= Grid point 87 (30/150) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 19.243 0.000 29.455) 35.183 2.223 ( 36.255 0.000 25.755) 44.472 3.747 ( 40.084 0.000 61.334) 73.270 4.045 ( 23.098 0.000 -5.332) 23.706 4.204 ( 15.100 0.000 11.247) 18.828 4.387 ( 20.220 0.000 13.318) 24.212 4.469 ( 18.349 0.000 7.735) 19.913 4.754 ( 28.870 0.000 -11.067) 30.918 5.161 ( 5.813 0.000 -23.174) 23.892 5.270 ( -0.013 0.000 3.185) 3.185 5.584 ( 29.025 0.000 -13.214) 31.891 6.144 ( 2.290 0.000 -13.807) 13.995 6.571 ( 7.210 0.000 -3.330) 7.942 6.588 ( 17.774 0.000 19.207) 26.169 6.729 ( 10.265 0.000 12.691) 16.323 7.042 ( 2.451 0.000 -16.408) 16.590 7.343 ( -1.502 0.000 10.854) 10.957 7.556 ( 17.697 0.000 -3.720) 18.084 7.739 ( 5.918 0.000 -3.997) 7.141 7.858 ( 7.112 0.000 -13.911) 15.623 7.877 ( 3.026 0.000 -0.393) 3.052 8.064 ( 22.470 0.000 -7.821) 23.792 8.079 ( 12.794 0.000 -1.503) 12.882 8.524 ( 0.689 0.000 -10.626) 10.649 9.164 ( 3.950 0.000 -0.288) 3.961 9.355 ( 2.855 0.000 11.987) 12.322 9.680 ( -9.895 0.000 1.399) 9.994 10.193 ( -7.981 0.000 -3.502) 8.715 10.535 ( -14.590 0.000 3.179) 14.932 10.774 ( -12.563 0.000 9.196) 15.569 11.222 ( -7.292 0.000 -15.380) 17.021 11.397 ( -3.833 0.000 -10.648) 11.317 11.651 ( 9.688 0.000 -3.507) 10.304 11.924 ( 12.081 0.000 1.134) 12.134 12.076 ( -13.840 0.000 2.527) 14.069 12.470 ( -1.029 0.000 -2.370) 2.583 12.490 ( 14.813 0.000 -1.660) 14.906 12.853 ( 5.542 0.000 1.315) 5.696 13.063 ( -1.516 0.000 1.418) 2.076 13.081 ( 13.512 0.000 -12.907) 18.686 13.149 ( -4.022 0.000 5.183) 6.561 13.408 ( -0.641 0.000 -6.861) 6.891 13.883 ( 1.739 0.000 12.056) 12.180 13.935 ( 5.078 0.000 4.820) 7.001 14.129 ( -9.929 0.000 5.508) 11.355 14.428 ( 18.438 0.000 0.896) 18.460 14.441 ( -6.594 0.000 4.348) 7.898 14.531 ( 1.283 0.000 1.557) 2.018 14.799 ( -1.712 0.000 -0.284) 1.736 14.954 ( -4.199 0.000 -2.226) 4.753 15.249 ( 8.307 0.000 9.393) 12.539 15.379 ( -1.081 0.000 -8.025) 8.098 15.426 ( 5.322 0.000 4.037) 6.680 15.470 ( 4.287 0.000 4.544) 6.247 15.698 ( -6.833 0.000 8.090) 10.590 16.397 ( 4.252 0.000 10.017) 10.882 16.402 ( 5.038 0.000 -6.789) 8.454 16.686 ( -4.116 0.000 -7.298) 8.378 17.130 ( -3.059 0.000 1.294) 3.322 17.195 ( -6.666 0.000 -9.418) 11.538 17.982 ( -1.856 0.000 4.750) 5.100 18.279 ( -7.081 0.000 -1.915) 7.335 18.340 ( -3.483 0.000 10.284) 10.858 18.545 ( -1.561 0.000 5.140) 5.372 18.612 ( -3.398 0.000 -7.948) 8.644 18.867 ( -5.267 0.000 -1.769) 5.556 19.312 ( -4.885 0.000 8.232) 9.573 19.408 ( -12.573 0.000 -0.304) 12.577 21.369 ( 13.584 0.000 -0.549) 13.595 21.463 ( 13.198 0.000 -1.069) 13.241 21.606 ( 15.054 0.000 3.482) 15.451 22.373 ( 14.417 0.000 -28.340) 31.796 27.355 ( -1.960 0.000 2.015) 2.812 27.470 ( -3.574 0.000 -1.895) 4.046 27.655 ( -2.878 0.000 -0.322) 2.896 27.761 ( -5.059 0.000 -0.948) 5.147 36.462 ( -0.560 0.000 6.312) 6.337 36.765 ( -4.557 0.000 -2.224) 5.071 37.268 ( -8.540 0.000 6.939) 11.004 38.524 ( -11.327 0.000 -18.997) 22.118 39.352 ( -18.573 0.000 12.500) 22.387 39.887 ( -40.926 0.000 45.904) 61.499 39.893 ( -19.552 0.000 1.437) 19.605 40.442 ( -23.006 0.000 -5.919) 23.755 ======================= Grid point 88 (31/150) ======================= q-point: ( 0.19 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 25.383 0.000 19.818) 32.203 2.972 ( 30.847 0.000 25.029) 39.724 4.386 ( 11.776 0.000 11.923) 16.758 4.530 ( 27.286 0.000 -3.254) 27.479 4.797 ( 37.750 0.000 46.303) 59.741 4.846 ( 16.186 0.000 9.583) 18.810 4.887 ( 18.007 0.000 -5.373) 18.792 5.153 ( 14.255 0.000 -21.162) 25.515 5.303 ( 21.261 0.000 -4.714) 21.777 5.345 ( 8.969 0.000 5.268) 10.402 6.156 ( 33.141 0.000 -12.602) 35.456 6.214 ( 9.109 0.000 -10.641) 14.008 6.734 ( 10.908 0.000 -0.442) 10.917 6.981 ( 14.881 0.000 12.100) 19.179 7.002 ( 13.218 0.000 3.469) 13.666 7.112 ( 10.094 0.000 -10.879) 14.840 7.370 ( 1.335 0.000 11.578) 11.654 7.698 ( 6.708 0.000 -24.611) 25.508 7.901 ( 14.798 0.000 2.395) 14.990 8.065 ( 19.739 0.000 -4.760) 20.305 8.152 ( 15.676 0.000 13.291) 20.552 8.305 ( 10.625 0.000 -2.224) 10.855 8.497 ( 5.075 0.000 -9.760) 11.001 8.584 ( 27.567 0.000 -7.008) 28.444 9.275 ( 7.971 0.000 -5.863) 9.895 9.421 ( -0.707 0.000 6.733) 6.770 9.523 ( -6.550 0.000 2.464) 6.998 10.067 ( -3.327 0.000 -2.903) 4.415 10.276 ( -12.375 0.000 2.065) 12.546 10.567 ( -11.586 0.000 0.613) 11.602 11.063 ( -4.111 0.000 -7.521) 8.571 11.230 ( -8.309 0.000 -8.704) 12.033 11.784 ( -0.938 0.000 4.457) 4.555 11.945 ( 4.802 0.000 -3.782) 6.113 12.099 ( 3.759 0.000 8.512) 9.305 12.404 ( -4.352 0.000 -4.577) 6.316 12.764 ( 13.471 0.000 -2.920) 13.784 12.961 ( 5.668 0.000 1.367) 5.831 13.047 ( -0.282 0.000 1.466) 1.493 13.090 ( -1.943 0.000 7.713) 7.954 13.310 ( -4.375 0.000 -13.224) 13.928 13.322 ( 13.644 0.000 -16.410) 21.341 13.917 ( -1.873 0.000 8.517) 8.721 13.967 ( -8.611 0.000 5.364) 10.145 14.124 ( 10.561 0.000 6.586) 12.446 14.295 ( -8.410 0.000 10.174) 13.200 14.532 ( -4.856 0.000 3.159) 5.793 14.691 ( 3.525 0.000 -3.341) 4.857 14.791 ( 2.240 0.000 -4.455) 4.986 14.877 ( 1.293 0.000 4.259) 4.451 15.287 ( -4.291 0.000 -6.281) 7.607 15.419 ( 5.127 0.000 9.809) 11.068 15.505 ( -3.706 0.000 -1.007) 3.840 15.590 ( -1.605 0.000 8.979) 9.121 15.614 ( 6.843 0.000 5.744) 8.935 16.461 ( 2.587 0.000 -3.512) 4.362 16.519 ( 4.307 0.000 6.636) 7.911 16.620 ( 1.975 0.000 -15.999) 16.121 17.091 ( 0.339 0.000 -17.727) 17.731 17.093 ( -1.450 0.000 7.815) 7.948 17.978 ( -0.582 0.000 5.731) 5.761 18.147 ( -6.225 0.000 0.341) 6.234 18.317 ( -2.929 0.000 10.163) 10.576 18.485 ( -6.215 0.000 -8.746) 10.730 18.550 ( 0.008 0.000 4.398) 4.398 18.790 ( -2.260 0.000 -3.224) 3.938 19.170 ( -12.148 0.000 2.584) 12.420 19.227 ( -5.489 0.000 5.320) 7.644 21.654 ( 15.161 0.000 0.093) 15.162 21.709 ( 12.512 0.000 -1.347) 12.585 21.924 ( 15.237 0.000 5.748) 16.285 22.455 ( 4.684 0.000 -19.380) 19.938 27.326 ( -1.722 0.000 1.585) 2.340 27.393 ( -3.421 0.000 -2.062) 3.994 27.596 ( -2.972 0.000 -0.450) 3.006 27.651 ( -5.699 0.000 -0.944) 5.777 36.455 ( -2.246 0.000 4.122) 4.695 36.660 ( -5.103 0.000 -2.347) 5.617 37.111 ( -10.535 0.000 9.050) 13.888 38.214 ( -13.430 0.000 -17.541) 22.092 38.985 ( -23.145 0.000 15.888) 28.073 39.400 ( -26.479 0.000 28.224) 38.700 39.470 ( -24.131 0.000 2.333) 24.244 39.929 ( -25.720 0.000 -11.420) 28.141 ======================= Grid point 89 (32/150) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 27.250 0.000 13.888) 30.585 3.582 ( 22.859 0.000 21.587) 31.441 4.673 ( 12.123 0.000 20.064) 23.442 4.999 ( 18.365 0.000 -0.995) 18.392 5.008 ( 4.867 0.000 -15.309) 16.064 5.121 ( 7.721 0.000 17.462) 19.093 5.258 ( 10.327 0.000 -28.833) 30.627 5.566 ( 29.494 0.000 7.338) 30.393 5.580 ( 13.225 0.000 -3.129) 13.590 5.932 ( 32.395 0.000 22.597) 39.497 6.386 ( 10.945 0.000 -6.879) 12.928 6.705 ( 26.603 0.000 -12.038) 29.199 7.004 ( 16.760 0.000 4.653) 17.394 7.173 ( 7.342 0.000 -5.227) 9.012 7.241 ( 13.309 0.000 -4.989) 14.214 7.365 ( 14.712 0.000 -0.887) 14.738 7.534 ( 11.099 0.000 12.596) 16.788 7.891 ( 17.098 0.000 -7.668) 18.739 8.179 ( 14.808 0.000 3.273) 15.166 8.446 ( 7.677 0.000 0.552) 7.697 8.502 ( 15.198 0.000 9.443) 17.893 8.553 ( 26.449 0.000 -6.107) 27.145 8.604 ( 12.387 0.000 -4.806) 13.286 9.114 ( 25.177 0.000 -5.638) 25.801 9.340 ( -0.586 0.000 -4.967) 5.002 9.377 ( -2.722 0.000 -0.910) 2.870 9.512 ( 5.804 0.000 -1.267) 5.941 9.946 ( -10.040 0.000 -4.421) 10.970 10.177 ( 2.113 0.000 5.315) 5.720 10.328 ( -11.962 0.000 -4.507) 12.783 11.004 ( -1.299 0.000 0.893) 1.576 11.037 ( -8.241 0.000 -5.795) 10.074 11.776 ( 1.667 0.000 2.832) 3.286 12.098 ( 8.929 0.000 -1.067) 8.993 12.142 ( -3.033 0.000 13.606) 13.940 12.273 ( -6.669 0.000 -6.895) 9.592 12.934 ( 4.763 0.000 -7.134) 8.578 12.978 ( -2.893 0.000 1.346) 3.191 13.093 ( 2.524 0.000 2.540) 3.581 13.195 ( 0.912 0.000 -12.498) 12.532 13.212 ( 9.346 0.000 5.497) 10.843 13.479 ( 8.496 0.000 -13.573) 16.012 13.833 ( -7.194 0.000 4.675) 8.579 13.890 ( -2.245 0.000 1.498) 2.699 14.222 ( -3.918 0.000 14.704) 15.217 14.336 ( 7.307 0.000 3.119) 7.945 14.402 ( -8.006 0.000 0.367) 8.014 14.579 ( -7.315 0.000 -1.656) 7.500 14.814 ( 0.875 0.000 -3.419) 3.529 14.982 ( 0.300 0.000 8.338) 8.343 15.178 ( -5.001 0.000 -2.961) 5.812 15.363 ( -3.589 0.000 -7.232) 8.074 15.528 ( 0.334 0.000 7.702) 7.709 15.634 ( 1.047 0.000 10.481) 10.533 15.757 ( 5.445 0.000 6.095) 8.173 16.487 ( 1.834 0.000 -3.698) 4.127 16.608 ( 3.056 0.000 5.888) 6.634 16.621 ( 4.920 0.000 -22.718) 23.244 17.069 ( 4.388 0.000 -19.133) 19.630 17.150 ( 3.653 0.000 8.605) 9.348 17.998 ( 0.330 0.000 5.364) 5.374 18.040 ( -5.113 0.000 0.709) 5.162 18.299 ( -2.844 0.000 10.093) 10.486 18.322 ( -7.233 0.000 -6.557) 9.763 18.573 ( 0.540 0.000 4.564) 4.596 18.746 ( -1.129 0.000 -2.516) 2.757 18.963 ( -10.654 0.000 4.977) 11.759 19.160 ( -2.795 0.000 1.689) 3.266 21.929 ( 10.658 0.000 -1.524) 10.766 21.935 ( 13.370 0.000 0.656) 13.386 22.213 ( 11.954 0.000 6.040) 13.393 22.446 ( 1.033 0.000 -12.541) 12.583 27.303 ( -1.096 0.000 1.401) 1.779 27.328 ( -2.387 0.000 -2.004) 3.117 27.540 ( -2.618 0.000 -0.226) 2.628 27.541 ( -5.149 0.000 -1.114) 5.269 36.405 ( -3.864 0.000 0.918) 3.972 36.563 ( -3.777 0.000 -2.211) 4.376 36.940 ( -10.853 0.000 11.634) 15.910 37.886 ( -14.051 0.000 -14.996) 20.550 38.612 ( -20.562 0.000 12.704) 24.170 39.001 ( -24.994 0.000 2.975) 25.170 39.014 ( -22.817 0.000 18.718) 29.512 39.403 ( -22.742 0.000 -14.691) 27.074 ======================= Grid point 90 (33/150) ======================= q-point: ( 0.31 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( 26.177 0.000 10.306) 28.133 4.008 ( 14.447 0.000 14.255) 20.296 4.931 ( 3.477 0.000 18.264) 18.592 5.089 ( 9.751 0.000 -2.475) 10.060 5.143 ( 2.174 0.000 -3.558) 4.170 5.280 ( 2.341 0.000 2.565) 3.473 5.420 ( 12.944 0.000 -10.873) 16.905 5.848 ( 15.232 0.000 -2.693) 15.468 6.026 ( 19.327 0.000 -6.107) 20.269 6.504 ( 18.593 0.000 7.066) 19.891 6.545 ( 7.167 0.000 -5.583) 9.084 7.074 ( 17.120 0.000 -10.959) 20.327 7.327 ( 10.386 0.000 -6.253) 12.123 7.433 ( 22.813 0.000 16.922) 28.404 7.543 ( 19.057 0.000 -5.866) 19.940 7.606 ( 11.686 0.000 0.838) 11.716 7.865 ( 18.581 0.000 8.940) 20.620 8.206 ( 16.079 0.000 -2.805) 16.322 8.502 ( 16.604 0.000 3.318) 16.932 8.544 ( 4.175 0.000 -1.096) 4.316 8.795 ( 10.940 0.000 4.286) 11.750 8.910 ( 16.276 0.000 5.867) 17.301 9.042 ( 23.246 0.000 -6.947) 24.262 9.250 ( -0.264 0.000 -3.495) 3.505 9.310 ( 0.225 0.000 -1.084) 1.108 9.584 ( 16.829 0.000 -7.961) 18.617 9.621 ( 5.169 0.000 -4.434) 6.811 9.727 ( -8.293 0.000 -3.748) 9.101 10.094 ( -9.966 0.000 -2.921) 10.385 10.294 ( 6.431 0.000 5.538) 8.487 10.883 ( -5.396 0.000 -5.568) 7.754 10.985 ( -2.621 0.000 4.148) 4.907 11.884 ( 8.076 0.000 2.819) 8.554 12.091 ( -6.874 0.000 10.511) 12.559 12.125 ( -5.832 0.000 -2.878) 6.503 12.262 ( 8.373 0.000 -0.395) 8.382 12.917 ( -3.778 0.000 2.207) 4.376 12.959 ( 2.484 0.000 -10.400) 10.693 13.028 ( -3.900 0.000 -5.091) 6.413 13.337 ( 10.217 0.000 0.076) 10.218 13.402 ( 7.398 0.000 4.985) 8.921 13.570 ( 6.453 0.000 -11.512) 13.197 13.720 ( -6.052 0.000 3.177) 6.835 13.857 ( -0.975 0.000 -1.627) 1.897 14.214 ( -4.153 0.000 8.376) 9.349 14.265 ( -4.055 0.000 0.484) 4.084 14.297 ( -7.979 0.000 -5.676) 9.792 14.552 ( 0.527 0.000 4.528) 4.558 14.804 ( -0.715 0.000 0.579) 0.920 14.930 ( -6.049 0.000 11.537) 13.026 15.080 ( -4.404 0.000 0.250) 4.411 15.272 ( -5.906 0.000 -10.129) 11.725 15.533 ( 0.822 0.000 5.139) 5.205 15.730 ( 3.456 0.000 12.246) 12.725 15.863 ( 3.223 0.000 5.038) 5.981 16.503 ( 1.522 0.000 -5.993) 6.184 16.645 ( 7.139 0.000 -24.507) 25.526 16.693 ( 3.254 0.000 5.778) 6.631 17.109 ( 6.224 0.000 -16.696) 17.819 17.265 ( 5.364 0.000 3.893) 6.628 17.953 ( -3.988 0.000 -0.197) 3.993 18.024 ( 0.410 0.000 3.990) 4.011 18.173 ( -6.344 0.000 -1.628) 6.549 18.282 ( -2.846 0.000 10.144) 10.536 18.599 ( 0.412 0.000 3.708) 3.731 18.731 ( 0.281 0.000 -1.240) 1.271 18.793 ( -9.271 0.000 7.030) 11.635 19.123 ( -1.381 0.000 -1.146) 1.795 22.107 ( 8.200 0.000 -1.457) 8.329 22.166 ( 10.143 0.000 0.798) 10.175 22.417 ( 0.048 0.000 -7.255) 7.255 22.421 ( 7.381 0.000 4.582) 8.688 27.287 ( -1.206 0.000 -1.775) 2.146 27.295 ( -0.304 0.000 1.470) 1.501 27.447 ( -4.026 0.000 -1.371) 4.253 27.494 ( -2.054 0.000 0.155) 2.060 36.319 ( -4.643 0.000 -1.462) 4.868 36.510 ( -0.696 0.000 -1.749) 1.882 36.785 ( -9.764 0.000 12.953) 16.221 37.564 ( -13.939 0.000 -12.008) 18.398 38.288 ( -16.741 0.000 7.461) 18.328 38.543 ( -22.519 0.000 1.078) 22.545 38.660 ( -19.716 0.000 14.020) 24.192 38.969 ( -16.357 0.000 -13.197) 21.017 ======================= Grid point 91 (34/150) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( 22.721 0.000 8.683) 24.324 4.260 ( 8.239 0.000 6.564) 10.535 4.990 ( -0.498 0.000 10.518) 10.530 5.133 ( 0.518 0.000 -12.636) 12.647 5.274 ( 4.471 0.000 11.447) 12.289 5.312 ( -0.121 0.000 3.961) 3.963 5.581 ( 5.736 0.000 2.283) 6.174 6.126 ( 13.832 0.000 -0.246) 13.834 6.322 ( 14.378 0.000 -6.016) 15.586 6.607 ( 1.381 0.000 -5.784) 5.947 6.743 ( 8.038 0.000 -4.898) 9.412 7.316 ( 12.982 0.000 -15.119) 19.928 7.497 ( 8.679 0.000 -0.903) 8.726 7.851 ( 13.428 0.000 -0.643) 13.444 7.877 ( 16.034 0.000 -1.729) 16.127 7.924 ( 18.662 0.000 11.029) 21.678 8.315 ( 24.201 0.000 8.951) 25.803 8.460 ( 10.685 0.000 -2.971) 11.090 8.601 ( 2.634 0.000 -1.102) 2.855 8.833 ( 15.005 0.000 4.134) 15.564 8.887 ( -0.121 0.000 1.259) 1.265 9.199 ( -8.364 0.000 -3.012) 8.890 9.223 ( 12.063 0.000 9.155) 15.144 9.247 ( 3.175 0.000 -7.826) 8.445 9.403 ( 6.075 0.000 -4.664) 7.659 9.645 ( 4.580 0.000 0.736) 4.638 9.675 ( 0.865 0.000 -2.552) 2.695 9.843 ( 11.214 0.000 -9.408) 14.638 9.988 ( 1.831 0.000 3.689) 4.118 10.433 ( 4.850 0.000 4.950) 6.930 10.799 ( -0.256 0.000 -7.023) 7.027 10.904 ( -7.530 0.000 3.487) 8.298 11.988 ( -5.110 0.000 -4.290) 6.671 12.024 ( -5.724 0.000 12.759) 13.985 12.084 ( 10.580 0.000 2.125) 10.792 12.423 ( 9.078 0.000 -3.473) 9.719 12.853 ( -3.555 0.000 2.219) 4.191 12.923 ( -1.963 0.000 -7.582) 7.832 13.005 ( 2.580 0.000 -2.459) 3.565 13.520 ( 7.343 0.000 1.750) 7.548 13.529 ( 4.326 0.000 5.262) 6.812 13.624 ( -3.868 0.000 0.126) 3.870 13.660 ( 6.901 0.000 -10.327) 12.420 13.842 ( 0.166 0.000 -2.153) 2.159 14.096 ( -7.484 0.000 0.813) 7.528 14.122 ( -7.306 0.000 -3.874) 8.270 14.252 ( 0.133 0.000 0.416) 0.437 14.503 ( -5.791 0.000 1.849) 6.079 14.798 ( -1.051 0.000 1.588) 1.904 14.894 ( -4.379 0.000 12.121) 12.888 15.020 ( -2.542 0.000 6.340) 6.830 15.075 ( -8.649 0.000 -5.180) 10.081 15.593 ( 2.727 0.000 2.540) 3.726 15.835 ( 2.908 0.000 9.853) 10.273 15.919 ( 1.267 0.000 2.353) 2.673 16.500 ( 0.733 0.000 -6.200) 6.243 16.729 ( 10.789 0.000 -23.161) 25.550 16.760 ( 1.773 0.000 2.287) 2.894 17.175 ( 6.156 0.000 -13.161) 14.529 17.378 ( 5.577 0.000 0.075) 5.578 17.889 ( -2.224 0.000 -0.019) 2.224 18.041 ( 0.095 0.000 2.978) 2.979 18.062 ( -5.643 0.000 2.431) 6.144 18.262 ( -3.043 0.000 9.781) 10.244 18.611 ( -0.076 0.000 -0.657) 0.662 18.654 ( -8.424 0.000 10.814) 13.708 18.746 ( 1.384 0.000 -0.434) 1.450 19.092 ( -1.082 0.000 -2.626) 2.840 22.236 ( 5.676 0.000 -1.093) 5.780 22.330 ( 6.542 0.000 0.504) 6.561 22.399 ( 0.088 0.000 -3.298) 3.299 22.535 ( 3.291 0.000 2.374) 4.058 27.267 ( -0.243 0.000 -1.506) 1.526 27.302 ( 0.344 0.000 1.653) 1.689 27.376 ( -2.751 0.000 -1.566) 3.165 27.461 ( -1.522 0.000 0.484) 1.597 36.228 ( -3.688 0.000 -1.612) 4.024 36.531 ( 3.579 0.000 -1.049) 3.730 36.658 ( -8.182 0.000 11.845) 14.396 37.258 ( -13.579 0.000 -9.199) 16.401 38.022 ( -12.603 0.000 2.557) 12.860 38.161 ( -16.281 0.000 -1.908) 16.392 38.368 ( -15.075 0.000 11.195) 18.777 38.678 ( -9.494 0.000 -8.974) 13.064 ======================= Grid point 92 (35/150) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.125 ( 15.695 0.000 8.764) 17.976 4.399 ( 4.802 0.000 3.011) 5.668 5.002 ( -2.970 0.000 12.478) 12.826 5.092 ( 0.196 0.000 -10.309) 10.311 5.286 ( -3.702 0.000 0.854) 3.800 5.323 ( -2.365 0.000 6.813) 7.212 5.698 ( 4.691 0.000 10.961) 11.923 6.375 ( 11.262 0.000 -1.072) 11.313 6.529 ( 7.606 0.000 -0.223) 7.609 6.581 ( -0.972 0.000 -0.999) 1.394 6.837 ( 4.947 0.000 -9.372) 10.597 7.456 ( 7.884 0.000 -20.134) 21.623 7.652 ( 5.608 0.000 6.045) 8.246 8.000 ( 3.284 0.000 -8.127) 8.765 8.160 ( 13.675 0.000 -8.808) 16.266 8.213 ( 8.312 0.000 4.769) 9.583 8.593 ( 5.719 0.000 -7.045) 9.074 8.644 ( 2.383 0.000 1.434) 2.781 8.810 ( 21.535 0.000 8.589) 23.185 8.886 ( -4.595 0.000 2.924) 5.446 8.933 ( -11.339 0.000 -1.164) 11.399 9.050 ( 2.686 0.000 2.156) 3.444 9.291 ( 6.414 0.000 -0.448) 6.430 9.437 ( 2.005 0.000 -5.350) 5.713 9.450 ( 8.197 0.000 5.680) 9.972 9.605 ( -6.588 0.000 3.175) 7.313 9.713 ( -0.479 0.000 3.981) 4.010 10.012 ( 8.378 0.000 -5.221) 9.872 10.168 ( 11.442 0.000 2.361) 11.683 10.502 ( 1.622 0.000 2.553) 3.025 10.725 ( -11.680 0.000 1.802) 11.818 10.821 ( 4.078 0.000 -7.044) 8.139 11.858 ( -6.760 0.000 0.024) 6.760 12.009 ( -0.760 0.000 8.779) 8.812 12.238 ( 3.139 0.000 -1.925) 3.683 12.589 ( 10.857 0.000 -9.782) 14.614 12.800 ( -2.660 0.000 1.778) 3.200 12.900 ( 1.254 0.000 4.065) 4.254 13.056 ( 3.170 0.000 -2.770) 4.210 13.518 ( -3.730 0.000 0.309) 3.743 13.621 ( 3.501 0.000 2.556) 4.335 13.685 ( 5.990 0.000 0.009) 5.990 13.756 ( 6.465 0.000 -6.211) 8.966 13.832 ( -1.675 0.000 -5.184) 5.448 13.966 ( -5.021 0.000 5.900) 7.747 14.011 ( -3.038 0.000 0.593) 3.096 14.263 ( 1.909 0.000 -5.842) 6.146 14.399 ( -4.819 0.000 1.878) 5.172 14.746 ( -3.892 0.000 -2.455) 4.601 14.747 ( -10.759 0.000 -0.037) 10.759 14.999 ( -1.714 0.000 7.167) 7.369 15.035 ( -0.368 0.000 13.555) 13.560 15.635 ( 0.882 0.000 0.337) 0.944 15.908 ( 0.984 0.000 7.984) 8.044 15.929 ( -0.599 0.000 -1.295) 1.427 16.501 ( 1.665 0.000 -3.500) 3.876 16.772 ( -0.449 0.000 -2.254) 2.298 16.885 ( 13.301 0.000 -20.656) 24.567 17.245 ( 5.239 0.000 -8.949) 10.369 17.477 ( 4.653 0.000 -2.237) 5.163 17.875 ( 0.364 0.000 2.647) 2.671 17.964 ( -5.560 0.000 3.832) 6.753 18.048 ( -0.533 0.000 2.829) 2.879 18.235 ( -3.337 0.000 8.819) 9.429 18.527 ( -7.044 0.000 5.725) 9.078 18.610 ( -1.136 0.000 2.507) 2.752 18.764 ( 0.338 0.000 -1.678) 1.711 19.071 ( 0.162 0.000 -2.132) 2.138 22.322 ( 3.743 0.000 -0.412) 3.765 22.394 ( 0.067 0.000 -0.649) 0.652 22.423 ( 2.966 0.000 -0.087) 2.968 22.574 ( 0.493 0.000 0.310) 0.583 27.265 ( 0.450 0.000 -1.215) 1.296 27.310 ( -0.751 0.000 0.269) 0.797 27.337 ( -0.125 0.000 -0.047) 0.134 27.438 ( -1.088 0.000 0.588) 1.237 36.178 ( -0.894 0.000 -0.014) 0.894 36.553 ( -6.670 0.000 9.042) 11.236 36.641 ( 7.895 0.000 -0.442) 7.908 36.978 ( -11.857 0.000 -6.899) 13.718 37.824 ( -8.118 0.000 -1.229) 8.210 37.912 ( -8.289 0.000 -3.642) 9.053 38.168 ( -9.232 0.000 8.858) 12.794 38.534 ( -2.743 0.000 -4.972) 5.678 ======================= Grid point 93 (36/150) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.328 ( 0.266 0.000 8.395) 8.399 4.480 ( 2.181 0.000 3.812) 4.392 4.956 ( -6.844 0.000 12.618) 14.355 5.073 ( -0.090 0.000 -5.501) 5.502 5.217 ( -1.113 0.000 2.024) 2.310 5.259 ( -5.012 0.000 0.282) 5.020 5.855 ( 6.919 0.000 12.587) 14.363 6.450 ( -2.023 0.000 0.904) 2.216 6.605 ( 0.019 0.000 2.594) 2.594 6.687 ( 9.989 0.000 4.321) 10.884 6.856 ( 0.889 0.000 -13.180) 13.210 7.436 ( -2.640 0.000 -25.966) 26.099 7.724 ( -1.910 0.000 9.401) 9.593 7.946 ( -2.946 0.000 -12.473) 12.816 8.269 ( 0.268 0.000 -20.056) 20.058 8.280 ( -2.895 0.000 5.236) 5.983 8.593 ( -13.945 0.000 4.077) 14.528 8.672 ( 5.888 0.000 -9.577) 11.242 8.719 ( 3.566 0.000 3.890) 5.277 8.932 ( 0.227 0.000 4.009) 4.015 8.945 ( -9.053 0.000 -2.875) 9.499 9.177 ( 11.690 0.000 3.484) 12.198 9.375 ( -6.097 0.000 6.159) 8.666 9.512 ( 6.962 0.000 -3.588) 7.832 9.556 ( 4.317 0.000 12.053) 12.803 9.585 ( 4.167 0.000 3.339) 5.339 9.668 ( -4.741 0.000 1.635) 5.015 10.112 ( 3.251 0.000 0.731) 3.332 10.366 ( 7.213 0.000 -1.579) 7.384 10.480 ( -12.548 0.000 0.371) 12.554 10.526 ( -0.581 0.000 1.720) 1.815 10.864 ( 2.611 0.000 -6.409) 6.920 11.748 ( -4.184 0.000 -0.134) 4.186 12.044 ( 1.116 0.000 7.745) 7.825 12.176 ( -6.389 0.000 -6.967) 9.453 12.766 ( 10.310 0.000 -9.647) 14.119 12.767 ( -1.195 0.000 1.268) 1.742 12.982 ( 2.755 0.000 8.250) 8.698 13.091 ( 1.371 0.000 -0.607) 1.499 13.464 ( -1.751 0.000 -0.217) 1.765 13.663 ( -2.381 0.000 2.117) 3.186 13.709 ( -4.589 0.000 -4.811) 6.649 13.772 ( 2.479 0.000 1.925) 3.139 13.857 ( 4.865 0.000 -2.915) 5.671 14.014 ( 5.980 0.000 7.315) 9.448 14.020 ( 2.971 0.000 4.339) 5.259 14.271 ( 2.054 0.000 -11.665) 11.844 14.347 ( -1.067 0.000 2.228) 2.470 14.568 ( -6.052 0.000 -3.646) 7.065 14.651 ( -4.611 0.000 -1.924) 4.997 14.995 ( -1.714 0.000 7.499) 7.693 15.080 ( -0.554 0.000 14.395) 14.405 15.628 ( -1.353 0.000 -1.307) 1.881 15.885 ( -2.692 0.000 -3.897) 4.736 15.926 ( -1.934 0.000 5.993) 6.297 16.545 ( 3.323 0.000 -0.401) 3.347 16.732 ( -2.145 0.000 -4.689) 5.157 17.073 ( 13.140 0.000 -18.725) 22.876 17.311 ( 3.982 0.000 -3.826) 5.523 17.513 ( -0.573 0.000 -4.979) 5.012 17.884 ( -2.782 0.000 5.222) 5.917 17.930 ( 2.854 0.000 4.270) 5.136 18.041 ( -1.444 0.000 3.286) 3.589 18.200 ( -3.409 0.000 7.585) 8.316 18.419 ( -6.385 0.000 6.637) 9.210 18.598 ( -0.257 0.000 -0.890) 0.926 18.741 ( -1.380 0.000 -3.394) 3.664 19.088 ( 1.896 0.000 -0.695) 2.019 22.382 ( 1.474 0.000 0.114) 1.478 22.394 ( 0.793 0.000 1.292) 1.517 22.443 ( -0.703 0.000 -0.819) 1.079 22.565 ( -1.145 0.000 -1.185) 1.648 27.274 ( 0.923 0.000 -0.804) 1.224 27.285 ( -1.006 0.000 -1.137) 1.518 27.358 ( 1.266 0.000 1.567) 2.015 27.423 ( -0.597 0.000 0.372) 0.703 36.202 ( 3.031 0.000 2.452) 3.899 36.465 ( -5.259 0.000 5.651) 7.720 36.701 ( -6.923 0.000 -5.201) 8.659 36.891 ( 10.715 0.000 0.106) 10.715 37.701 ( -3.620 0.000 -3.921) 5.337 37.812 ( -0.774 0.000 -4.239) 4.309 38.080 ( -2.829 0.000 6.491) 7.081 38.533 ( 3.958 0.000 -1.867) 4.376 ======================= Grid point 94 (37/150) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.184 ( -16.714 0.000 6.894) 18.079 4.481 ( -5.509 0.000 6.351) 8.407 4.833 ( -9.981 0.000 10.434) 14.439 5.014 ( -3.279 0.000 -2.947) 4.408 5.164 ( -3.028 0.000 -3.947) 4.975 5.312 ( 6.474 0.000 8.533) 10.711 6.043 ( 7.415 0.000 10.448) 12.812 6.405 ( -4.105 0.000 10.057) 10.863 6.558 ( -5.548 0.000 1.349) 5.710 6.766 ( -3.835 0.000 -21.092) 21.438 6.889 ( 8.216 0.000 3.527) 8.941 7.133 ( -18.390 0.000 -22.517) 29.072 7.630 ( -10.229 0.000 2.397) 10.506 7.837 ( -4.056 0.000 -14.194) 14.763 7.986 ( -18.764 0.000 -10.302) 21.406 8.189 ( -7.496 0.000 8.284) 11.172 8.473 ( -2.233 0.000 -2.548) 3.389 8.650 ( -15.851 0.000 1.581) 15.929 8.723 ( 2.073 0.000 -10.911) 11.106 8.805 ( -1.130 0.000 -0.037) 1.131 8.942 ( -0.511 0.000 3.386) 3.424 9.153 ( -13.738 0.000 7.356) 15.583 9.368 ( 3.038 0.000 4.320) 5.282 9.544 ( -7.634 0.000 -2.784) 8.126 9.643 ( 7.261 0.000 -0.668) 7.292 9.651 ( 1.678 0.000 2.183) 2.753 9.721 ( 4.230 0.000 9.107) 10.041 10.144 ( -1.450 0.000 3.851) 4.115 10.164 ( -14.995 0.000 1.276) 15.049 10.480 ( -4.111 0.000 0.718) 4.174 10.534 ( 7.949 0.000 -5.330) 9.571 10.882 ( 1.603 0.000 -3.637) 3.975 11.698 ( -0.851 0.000 -1.395) 1.634 12.002 ( -7.927 0.000 -6.023) 9.956 12.111 ( 3.213 0.000 6.664) 7.398 12.763 ( 0.311 0.000 0.626) 0.699 12.872 ( 1.225 0.000 -2.303) 2.609 12.987 ( -2.834 0.000 3.460) 4.473 13.165 ( 6.461 0.000 -0.362) 6.471 13.439 ( -1.751 0.000 1.272) 2.165 13.517 ( -8.307 0.000 0.367) 8.315 13.697 ( 0.493 0.000 -2.562) 2.609 13.797 ( -0.681 0.000 4.498) 4.549 13.918 ( 1.738 0.000 1.209) 2.118 14.131 ( 5.834 0.000 3.705) 6.911 14.142 ( 0.277 0.000 2.138) 2.156 14.303 ( 10.150 0.000 -13.364) 16.782 14.381 ( 3.402 0.000 2.723) 4.357 14.501 ( 0.735 0.000 -4.842) 4.898 14.568 ( -3.795 0.000 2.109) 4.342 15.002 ( 0.766 0.000 4.668) 4.730 15.122 ( -0.225 0.000 12.966) 12.968 15.579 ( -2.792 0.000 -1.993) 3.430 15.810 ( -3.251 0.000 -3.867) 5.052 15.874 ( -5.318 0.000 3.637) 6.442 16.606 ( 2.517 0.000 0.250) 2.530 16.661 ( -3.326 0.000 -4.516) 5.609 17.229 ( 9.329 0.000 -18.061) 20.328 17.372 ( 2.987 0.000 1.573) 3.375 17.404 ( -7.899 0.000 -7.492) 10.887 17.886 ( 0.901 0.000 4.305) 4.398 18.018 ( -2.130 0.000 3.513) 4.109 18.029 ( 5.240 0.000 5.006) 7.247 18.164 ( -2.870 0.000 6.504) 7.109 18.336 ( -4.419 0.000 6.367) 7.750 18.600 ( 1.247 0.000 -2.386) 2.692 18.708 ( -0.396 0.000 -2.462) 2.494 19.125 ( 1.779 0.000 -0.265) 1.798 22.361 ( -2.536 0.000 1.141) 2.781 22.392 ( -4.057 0.000 -1.451) 4.309 22.455 ( 3.585 0.000 2.028) 4.119 22.520 ( -3.013 0.000 -2.148) 3.700 27.268 ( -0.336 0.000 -0.926) 0.985 27.293 ( 1.178 0.000 -0.192) 1.193 27.392 ( 1.617 0.000 1.529) 2.226 27.420 ( 0.250 0.000 -0.140) 0.287 36.315 ( 7.068 0.000 5.597) 9.016 36.392 ( -3.743 0.000 2.161) 4.322 36.549 ( -5.322 0.000 -4.716) 7.111 37.185 ( 17.797 0.000 1.747) 17.882 37.651 ( 0.199 0.000 -6.127) 6.131 37.844 ( 5.685 0.000 -4.762) 7.416 38.107 ( 3.562 0.000 4.232) 5.532 38.671 ( 10.449 0.000 0.370) 10.456 ======================= Grid point 95 (38/150) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.795 ( -25.148 0.000 7.673) 26.292 4.262 ( -19.806 0.000 6.290) 20.781 4.659 ( -11.171 0.000 6.896) 13.128 4.941 ( -3.983 0.000 0.338) 3.997 5.145 ( 2.311 0.000 -3.108) 3.873 5.446 ( 2.238 0.000 10.893) 11.121 6.159 ( -1.804 0.000 8.370) 8.562 6.392 ( -0.839 0.000 15.745) 15.767 6.405 ( -9.624 0.000 -11.115) 14.703 6.461 ( -22.361 0.000 -26.687) 34.816 6.702 ( -14.789 0.000 -4.642) 15.500 6.985 ( -1.414 0.000 4.562) 4.777 7.338 ( -16.773 0.000 -17.294) 24.091 7.630 ( -12.478 0.000 -14.004) 18.756 7.648 ( -11.746 0.000 6.489) 13.419 8.087 ( -6.073 0.000 2.796) 6.686 8.286 ( -21.420 0.000 7.062) 22.554 8.392 ( -5.920 0.000 -2.944) 6.611 8.651 ( -5.279 0.000 -10.768) 11.992 8.747 ( -7.934 0.000 7.479) 10.903 8.883 ( -14.461 0.000 5.078) 15.327 8.911 ( -5.144 0.000 -0.897) 5.222 9.369 ( -7.346 0.000 -3.648) 8.202 9.377 ( -5.187 0.000 0.817) 5.251 9.539 ( -16.658 0.000 0.206) 16.659 9.680 ( 1.506 0.000 -2.947) 3.310 9.825 ( 3.700 0.000 0.994) 3.831 10.061 ( 3.980 0.000 6.566) 7.678 10.063 ( -8.665 0.000 5.421) 10.221 10.393 ( -5.049 0.000 0.346) 5.061 10.668 ( 8.499 0.000 -5.798) 10.289 10.918 ( 3.342 0.000 -0.589) 3.393 11.695 ( 0.998 0.000 -2.892) 3.059 11.855 ( -5.248 0.000 -1.631) 5.495 12.216 ( 5.250 0.000 4.860) 7.154 12.770 ( -9.994 0.000 5.806) 11.558 12.781 ( 1.490 0.000 -0.401) 1.543 12.983 ( 0.765 0.000 0.478) 0.902 13.309 ( 8.766 0.000 -3.595) 9.475 13.372 ( -6.106 0.000 1.053) 6.197 13.379 ( -6.198 0.000 1.560) 6.391 13.694 ( 0.721 0.000 -3.498) 3.571 13.802 ( -0.672 0.000 6.343) 6.379 13.897 ( -6.011 0.000 -0.071) 6.011 14.093 ( -0.271 0.000 -6.335) 6.341 14.248 ( 5.446 0.000 1.099) 5.555 14.436 ( 0.101 0.000 -0.475) 0.486 14.502 ( 4.232 0.000 0.310) 4.244 14.548 ( 7.397 0.000 0.025) 7.397 14.568 ( 6.456 0.000 0.871) 6.514 15.086 ( 7.362 0.000 -0.309) 7.369 15.170 ( 0.348 0.000 11.833) 11.838 15.516 ( -2.730 0.000 -1.292) 3.021 15.741 ( -2.632 0.000 -2.072) 3.350 15.751 ( -8.161 0.000 1.859) 8.370 16.578 ( -3.513 0.000 -2.959) 4.593 16.627 ( -0.468 0.000 -0.918) 1.031 17.175 ( -11.870 0.000 -10.120) 15.598 17.273 ( 1.221 0.000 -13.306) 13.362 17.445 ( 3.832 0.000 0.707) 3.897 17.935 ( 2.513 0.000 3.659) 4.439 17.978 ( -3.224 0.000 1.665) 3.629 18.148 ( -1.071 0.000 7.400) 7.477 18.167 ( 7.234 0.000 4.091) 8.311 18.303 ( -1.165 0.000 5.849) 5.964 18.635 ( 3.515 0.000 -2.397) 4.254 18.712 ( 1.200 0.000 -0.456) 1.284 19.148 ( 0.695 0.000 -0.064) 0.698 22.279 ( -6.953 0.000 -1.711) 7.160 22.291 ( -5.246 0.000 1.268) 5.397 22.426 ( -5.937 0.000 -2.705) 6.524 22.547 ( 5.073 0.000 2.889) 5.837 27.265 ( 0.298 0.000 -0.500) 0.582 27.317 ( 1.264 0.000 0.454) 1.343 27.433 ( 2.205 0.000 1.109) 2.468 27.435 ( 1.592 0.000 -0.672) 1.728 36.335 ( -2.508 0.000 0.370) 2.535 36.472 ( -1.014 0.000 -3.748) 3.883 36.516 ( 10.828 0.000 8.040) 13.486 37.578 ( 21.617 0.000 3.667) 21.926 37.656 ( 2.876 0.000 -8.456) 8.932 37.989 ( 11.276 0.000 -6.526) 13.028 38.244 ( 9.135 0.000 2.400) 9.446 38.936 ( 16.343 0.000 1.865) 16.449 ======================= Grid point 96 (39/150) ======================= q-point: (-0.31 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( -29.193 0.000 11.043) 31.212 3.788 ( -30.204 0.000 3.568) 30.414 4.460 ( -11.706 0.000 6.915) 13.596 4.841 ( -7.488 0.000 1.131) 7.573 5.185 ( 0.724 0.000 -3.322) 3.400 5.442 ( -7.658 0.000 11.340) 13.684 5.731 ( -37.665 0.000 -19.720) 42.515 6.003 ( -15.700 0.000 5.840) 16.751 6.190 ( -11.929 0.000 -7.125) 13.895 6.446 ( -11.160 0.000 -10.314) 15.196 6.447 ( -3.528 0.000 17.426) 17.779 6.841 ( -10.976 0.000 -7.735) 13.427 6.968 ( -13.459 0.000 -6.637) 15.006 7.279 ( -17.155 0.000 -13.016) 21.534 7.591 ( 0.498 0.000 7.578) 7.594 7.781 ( -23.826 0.000 -6.611) 24.727 8.043 ( -11.198 0.000 19.739) 22.694 8.222 ( -9.795 0.000 -2.527) 10.116 8.456 ( -10.463 0.000 -8.390) 13.412 8.502 ( -17.800 0.000 11.661) 21.280 8.674 ( -16.080 0.000 -9.467) 18.660 8.720 ( -6.064 0.000 1.821) 6.332 9.005 ( -25.395 0.000 -5.057) 25.894 9.303 ( -0.323 0.000 1.600) 1.632 9.387 ( -3.175 0.000 1.322) 3.439 9.657 ( -4.099 0.000 -8.663) 9.584 9.806 ( -5.435 0.000 0.463) 5.455 9.887 ( -8.405 0.000 5.154) 9.859 10.224 ( 8.006 0.000 4.728) 9.298 10.287 ( -5.563 0.000 -0.981) 5.649 10.845 ( 12.209 0.000 -3.772) 12.778 11.017 ( 6.812 0.000 1.355) 6.945 11.706 ( 1.156 0.000 -3.244) 3.444 11.795 ( -1.439 0.000 2.930) 3.264 12.339 ( 6.012 0.000 1.173) 6.125 12.587 ( -11.013 0.000 8.534) 13.932 12.814 ( 2.172 0.000 -1.554) 2.670 13.004 ( 1.303 0.000 -0.457) 1.380 13.214 ( -10.038 0.000 0.130) 10.039 13.274 ( -6.817 0.000 3.713) 7.762 13.469 ( 8.782 0.000 -3.147) 9.329 13.700 ( -8.969 0.000 -10.002) 13.435 13.719 ( 2.538 0.000 -3.494) 4.318 13.814 ( -0.411 0.000 5.268) 5.284 14.104 ( 1.131 0.000 1.262) 1.694 14.334 ( -0.510 0.000 -0.249) 0.568 14.405 ( 0.602 0.000 1.347) 1.475 14.525 ( 0.373 0.000 9.917) 9.924 14.700 ( 6.010 0.000 0.783) 6.061 14.765 ( 11.938 0.000 -7.099) 13.889 15.218 ( -0.005 0.000 11.398) 11.398 15.254 ( 9.216 0.000 -5.212) 10.587 15.477 ( -1.476 0.000 1.574) 2.158 15.591 ( -7.784 0.000 1.442) 7.917 15.690 ( -2.435 0.000 0.162) 2.441 16.520 ( -1.179 0.000 -0.871) 1.466 16.584 ( -3.081 0.000 -2.011) 3.679 16.889 ( -12.749 0.000 -12.183) 17.634 17.196 ( -4.289 0.000 -9.709) 10.614 17.501 ( 1.248 0.000 -1.460) 1.920 17.913 ( -2.999 0.000 -0.581) 3.055 18.007 ( 3.513 0.000 3.543) 4.989 18.173 ( -0.042 0.000 9.803) 9.803 18.332 ( 1.915 0.000 4.191) 4.608 18.337 ( 9.022 0.000 2.113) 9.266 18.728 ( 7.044 0.000 -1.259) 7.155 18.741 ( 1.427 0.000 0.652) 1.569 19.153 ( -0.239 0.000 0.610) 0.655 22.112 ( -9.660 0.000 -1.519) 9.779 22.164 ( -8.424 0.000 0.960) 8.478 22.268 ( -9.369 0.000 -2.712) 9.754 22.671 ( 6.463 0.000 2.872) 7.073 27.275 ( 0.820 0.000 -0.136) 0.831 27.346 ( 1.567 0.000 0.680) 1.708 27.477 ( 2.973 0.000 -0.728) 3.061 27.488 ( 3.206 0.000 0.464) 3.239 36.298 ( -1.138 0.000 -1.139) 1.610 36.479 ( 2.775 0.000 -2.908) 4.019 36.788 ( 13.267 0.000 11.727) 17.707 37.690 ( 4.189 0.000 -11.115) 11.878 38.033 ( 21.977 0.000 8.749) 23.655 38.231 ( 17.872 0.000 -12.192) 21.634 38.468 ( 13.037 0.000 1.310) 13.103 39.308 ( 21.019 0.000 2.785) 21.203 ======================= Grid point 97 (40/150) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -31.222 0.000 16.480) 35.304 3.152 ( -36.186 0.000 3.894) 36.395 4.265 ( -12.234 0.000 9.231) 15.326 4.619 ( -15.967 0.000 -2.516) 16.164 4.748 ( -43.615 0.000 -13.557) 45.674 5.206 ( -21.290 0.000 9.713) 23.401 5.231 ( -10.940 0.000 2.760) 11.283 5.683 ( -16.326 0.000 3.087) 16.615 5.901 ( -12.844 0.000 -13.336) 18.516 6.179 ( -12.058 0.000 -10.655) 16.091 6.263 ( -18.228 0.000 3.995) 18.661 6.683 ( -3.602 0.000 -5.109) 6.251 6.739 ( -11.744 0.000 8.225) 14.338 6.931 ( -13.077 0.000 -13.235) 18.606 7.244 ( -29.413 0.000 1.584) 29.456 7.611 ( -3.500 0.000 7.068) 7.887 7.847 ( -15.898 0.000 16.047) 22.589 8.037 ( -8.411 0.000 -3.899) 9.270 8.222 ( -15.386 0.000 10.688) 18.734 8.238 ( -7.011 0.000 -1.899) 7.264 8.314 ( -14.430 0.000 -16.423) 21.862 8.500 ( -23.508 0.000 -5.633) 24.174 8.608 ( -6.999 0.000 3.087) 7.649 9.189 ( -16.812 0.000 -0.188) 16.813 9.343 ( -1.873 0.000 -3.394) 3.877 9.513 ( -2.896 0.000 3.409) 4.473 9.665 ( -7.565 0.000 2.362) 7.925 9.859 ( 3.931 0.000 -7.244) 8.242 10.189 ( -3.049 0.000 -3.443) 4.600 10.367 ( 5.108 0.000 3.465) 6.172 11.117 ( 17.074 0.000 -4.074) 17.553 11.189 ( 10.463 0.000 1.294) 10.543 11.712 ( 0.180 0.000 -0.540) 0.569 11.802 ( -0.051 0.000 5.202) 5.202 12.418 ( -9.995 0.000 9.639) 13.885 12.454 ( 6.413 0.000 -3.266) 7.196 12.850 ( 2.176 0.000 -2.473) 3.294 12.967 ( -10.244 0.000 -3.076) 10.696 13.058 ( -0.731 0.000 2.641) 2.740 13.083 ( -14.647 0.000 1.018) 14.682 13.506 ( -5.283 0.000 -11.133) 12.323 13.610 ( 6.642 0.000 -4.837) 8.217 13.823 ( 8.240 0.000 -2.346) 8.568 13.835 ( 1.196 0.000 5.343) 5.475 14.122 ( -0.677 0.000 5.570) 5.611 14.201 ( -10.544 0.000 4.446) 11.443 14.501 ( 6.387 0.000 -2.758) 6.957 14.608 ( 3.713 0.000 12.398) 12.942 14.781 ( 1.344 0.000 -0.055) 1.345 14.932 ( 8.100 0.000 -7.686) 11.166 15.241 ( -2.171 0.000 9.957) 10.191 15.309 ( -2.994 0.000 -2.074) 3.642 15.448 ( 0.282 0.000 -1.440) 1.468 15.551 ( 1.594 0.000 3.631) 3.965 15.641 ( -2.890 0.000 1.251) 3.149 16.488 ( -7.566 0.000 -0.338) 7.574 16.517 ( -2.460 0.000 -0.982) 2.649 16.671 ( 1.011 0.000 -11.919) 11.962 17.050 ( -7.081 0.000 -8.458) 11.031 17.452 ( -5.694 0.000 -2.896) 6.389 17.894 ( 1.713 0.000 -1.087) 2.029 18.098 ( 4.571 0.000 3.453) 5.728 18.208 ( -0.360 0.000 10.348) 10.354 18.394 ( 2.830 0.000 2.773) 3.962 18.522 ( 9.551 0.000 -0.969) 9.600 18.765 ( 0.748 0.000 0.809) 1.102 18.905 ( 11.476 0.000 0.419) 11.483 19.151 ( -0.227 0.000 2.032) 2.045 21.897 ( -11.995 0.000 -0.911) 12.029 21.973 ( -11.530 0.000 0.209) 11.532 22.047 ( -12.291 0.000 -2.042) 12.459 22.809 ( 6.741 0.000 0.793) 6.788 27.294 ( 1.148 0.000 -0.085) 1.152 27.385 ( 2.252 0.000 0.438) 2.294 27.542 ( 3.824 0.000 -0.283) 3.835 27.562 ( 4.441 0.000 -0.219) 4.446 36.283 ( 0.017 0.000 -1.237) 1.237 36.549 ( 5.283 0.000 -2.285) 5.756 37.109 ( 14.495 0.000 16.234) 21.764 37.725 ( 3.845 0.000 -13.536) 14.071 38.415 ( 14.826 0.000 4.918) 15.620 38.644 ( 28.431 0.000 -9.895) 30.104 38.745 ( 14.775 0.000 1.321) 14.834 39.755 ( 23.601 0.000 3.370) 23.840 ======================= Grid point 98 (41/150) ======================= q-point: (-0.19 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -31.982 0.000 23.680) 39.794 2.452 ( -38.139 0.000 11.475) 39.827 3.660 ( -54.051 0.000 3.097) 54.140 4.202 ( -8.041 0.000 6.669) 10.446 4.218 ( -21.941 0.000 -8.397) 23.493 4.734 ( -28.095 0.000 5.227) 28.577 4.862 ( -28.591 0.000 2.871) 28.735 5.393 ( -17.972 0.000 4.842) 18.613 5.662 ( -5.478 0.000 -23.851) 24.472 5.913 ( -14.708 0.000 -4.579) 15.404 5.921 ( -11.238 0.000 -6.396) 12.930 6.413 ( -20.275 0.000 6.234) 21.212 6.568 ( -23.830 0.000 -2.123) 23.924 6.711 ( 0.714 0.000 11.026) 11.049 6.814 ( -11.168 0.000 -1.802) 11.313 7.461 ( -13.803 0.000 -0.324) 13.806 7.601 ( -14.146 0.000 16.352) 21.622 7.858 ( -7.877 0.000 5.155) 9.414 7.956 ( -16.453 0.000 6.578) 17.719 8.011 ( -9.751 0.000 -23.175) 25.143 8.076 ( -17.566 0.000 -3.074) 17.833 8.246 ( 6.075 0.000 -2.892) 6.728 8.455 ( -10.511 0.000 2.047) 10.709 8.776 ( -21.576 0.000 -0.545) 21.583 9.250 ( -5.319 0.000 -6.134) 8.119 9.503 ( -3.236 0.000 7.724) 8.374 9.619 ( 1.637 0.000 5.821) 6.046 9.948 ( 8.968 0.000 -12.423) 15.322 10.178 ( 4.341 0.000 -4.770) 6.450 10.453 ( 2.774 0.000 3.487) 4.455 11.431 ( 14.525 0.000 -0.936) 14.556 11.444 ( 18.076 0.000 -12.818) 22.160 11.715 ( -0.236 0.000 7.842) 7.845 11.802 ( -2.735 0.000 5.068) 5.759 12.270 ( -8.935 0.000 8.913) 12.620 12.569 ( 7.225 0.000 -5.734) 9.224 12.709 ( -13.967 0.000 -1.198) 14.018 12.743 ( -17.732 0.000 -1.916) 17.836 12.884 ( 1.817 0.000 -5.268) 5.572 13.085 ( 1.257 0.000 1.716) 2.127 13.400 ( -2.462 0.000 -8.595) 8.941 13.655 ( -0.452 0.000 -7.882) 7.895 13.913 ( 3.854 0.000 7.777) 8.680 13.978 ( 5.313 0.000 3.158) 6.181 14.023 ( -8.071 0.000 7.416) 10.960 14.143 ( 2.744 0.000 4.009) 4.858 14.605 ( 5.713 0.000 -5.302) 7.794 14.710 ( -8.873 0.000 0.822) 8.911 14.741 ( 4.475 0.000 11.896) 12.710 15.028 ( 4.562 0.000 -3.877) 5.987 15.190 ( -6.419 0.000 6.431) 9.086 15.259 ( -0.401 0.000 1.184) 1.250 15.434 ( -2.568 0.000 0.764) 2.679 15.600 ( -1.452 0.000 2.065) 2.525 15.612 ( 2.863 0.000 2.999) 4.146 16.252 ( -11.397 0.000 -4.875) 12.396 16.505 ( 1.164 0.000 2.454) 2.716 16.811 ( 12.225 0.000 -6.782) 13.980 16.873 ( -7.722 0.000 -6.732) 10.244 17.282 ( -9.824 0.000 -3.293) 10.361 17.950 ( 3.739 0.000 -1.321) 3.965 18.215 ( 6.483 0.000 2.957) 7.126 18.236 ( -0.542 0.000 9.574) 9.590 18.452 ( 2.126 0.000 1.818) 2.797 18.677 ( 6.741 0.000 -5.698) 8.827 18.781 ( 0.995 0.000 1.927) 2.169 19.169 ( 1.209 0.000 3.936) 4.118 19.170 ( 15.146 0.000 1.860) 15.260 21.646 ( -13.597 0.000 -0.127) 13.597 21.724 ( -13.845 0.000 -0.974) 13.879 21.790 ( -13.327 0.000 -0.858) 13.355 22.917 ( 4.621 0.000 -5.933) 7.521 27.316 ( 1.204 0.000 -0.463) 1.290 27.436 ( 2.923 0.000 -0.033) 2.923 27.618 ( 3.860 0.000 0.345) 3.875 27.656 ( 5.368 0.000 -0.795) 5.426 36.289 ( 0.839 0.000 -0.032) 0.840 36.655 ( 6.150 0.000 -1.901) 6.438 37.468 ( 15.411 0.000 20.423) 25.585 37.732 ( 1.763 0.000 -10.486) 10.634 38.685 ( 12.893 0.000 -3.139) 13.270 39.037 ( 14.256 0.000 2.776) 14.524 39.181 ( 28.707 0.000 -4.311) 29.029 40.225 ( 22.995 0.000 3.823) 23.311 ======================= Grid point 99 (42/150) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -31.342 0.000 32.647) 45.257 1.809 ( -34.865 0.000 28.972) 45.331 2.594 ( -57.505 0.000 18.771) 60.491 3.786 ( -16.699 0.000 -12.183) 20.671 4.137 ( -3.303 0.000 10.673) 11.172 4.227 ( -24.521 0.000 2.402) 24.638 4.257 ( -32.192 0.000 3.690) 32.403 4.973 ( -25.121 0.000 1.959) 25.197 5.435 ( -9.374 0.000 -26.019) 27.656 5.645 ( -13.594 0.000 -15.286) 20.456 5.702 ( -6.789 0.000 -6.852) 9.645 6.043 ( -19.336 0.000 14.025) 23.887 6.247 ( -7.952 0.000 15.222) 17.174 6.655 ( -6.154 0.000 -3.865) 7.267 6.808 ( 3.883 0.000 16.407) 16.860 7.123 ( -18.213 0.000 -5.246) 18.953 7.464 ( -6.269 0.000 17.714) 18.790 7.643 ( -15.467 0.000 1.279) 15.520 7.738 ( -8.813 0.000 -5.615) 10.450 7.757 ( -7.081 0.000 -15.565) 17.100 7.809 ( -10.115 0.000 -2.099) 10.331 8.220 ( -13.458 0.000 2.360) 13.664 8.358 ( 5.745 0.000 -8.387) 10.166 8.461 ( -8.462 0.000 -0.490) 8.477 9.147 ( -3.169 0.000 -2.181) 3.847 9.422 ( -6.994 0.000 5.433) 8.856 9.731 ( 6.812 0.000 6.560) 9.457 10.104 ( 10.958 0.000 -9.286) 14.363 10.333 ( 13.190 0.000 -4.723) 14.010 10.512 ( 2.048 0.000 4.756) 5.178 11.553 ( -2.190 0.000 -8.602) 8.876 11.705 ( -9.613 0.000 4.811) 10.750 11.732 ( 16.563 0.000 -5.348) 17.405 11.879 ( 14.237 0.000 -4.917) 15.062 12.143 ( -6.668 0.000 6.055) 9.007 12.420 ( -12.559 0.000 -2.399) 12.786 12.451 ( -11.378 0.000 0.602) 11.394 12.699 ( 7.464 0.000 -2.621) 7.911 12.893 ( 0.809 0.000 -6.214) 6.266 13.107 ( 0.235 0.000 2.054) 2.067 13.342 ( -0.499 0.000 -5.114) 5.139 13.531 ( -8.762 0.000 -1.895) 8.965 13.954 ( -0.901 0.000 1.049) 1.383 13.997 ( -3.938 0.000 8.959) 9.786 14.048 ( 4.833 0.000 9.855) 10.976 14.290 ( 9.938 0.000 -1.772) 10.095 14.466 ( -14.050 0.000 2.228) 14.225 14.708 ( 5.817 0.000 -4.437) 7.316 14.796 ( -3.582 0.000 -2.093) 4.149 15.077 ( -5.500 0.000 7.878) 9.608 15.102 ( 3.532 0.000 0.193) 3.537 15.231 ( -4.955 0.000 -1.249) 5.110 15.408 ( -0.232 0.000 8.557) 8.560 15.620 ( 1.705 0.000 8.104) 8.281 15.635 ( -2.392 0.000 1.046) 2.610 16.100 ( -1.483 0.000 -1.724) 2.274 16.574 ( 3.659 0.000 3.229) 4.880 16.745 ( -1.905 0.000 1.733) 2.576 17.011 ( 10.072 0.000 -7.330) 12.457 17.087 ( -8.175 0.000 2.630) 8.587 18.008 ( 2.501 0.000 -1.369) 2.851 18.256 ( -0.834 0.000 8.363) 8.404 18.374 ( 8.942 0.000 0.917) 8.989 18.489 ( 1.223 0.000 0.728) 1.423 18.717 ( 1.087 0.000 -7.093) 7.175 18.840 ( 3.590 0.000 2.524) 4.388 19.223 ( 2.066 0.000 4.987) 5.398 19.486 ( 15.984 0.000 2.366) 16.158 21.384 ( -12.903 0.000 0.370) 12.908 21.442 ( -14.196 0.000 -2.275) 14.377 21.541 ( -11.980 0.000 0.220) 11.982 22.885 ( -5.032 0.000 -24.453) 24.965 27.335 ( 0.992 0.000 -0.955) 1.378 27.494 ( 3.032 0.000 -0.573) 3.086 27.687 ( 2.894 0.000 0.890) 3.027 27.757 ( 5.228 0.000 -1.222) 5.369 36.314 ( 1.285 0.000 2.055) 2.424 36.762 ( 5.376 0.000 -1.722) 5.645 37.630 ( -0.908 0.000 -17.602) 17.625 37.996 ( 23.003 0.000 53.530) 58.263 38.882 ( 9.373 0.000 -8.603) 12.723 39.306 ( 11.623 0.000 5.719) 12.954 39.690 ( 24.255 0.000 -1.854) 24.326 40.646 ( 18.170 0.000 4.100) 18.627 ======================= Grid point 100 (43/150) ======================= q-point: (-0.06 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -38.838 0.000 29.154) 48.563 1.277 ( -27.200 0.000 43.390) 51.210 1.812 ( -28.995 0.000 71.757) 77.393 3.552 ( -1.483 0.000 -12.408) 12.496 3.733 ( -21.551 0.000 6.411) 22.484 3.839 ( -15.089 0.000 -1.162) 15.134 4.142 ( -1.130 0.000 11.728) 11.782 4.523 ( -20.246 0.000 1.989) 20.343 5.126 ( -12.033 0.000 -14.474) 18.822 5.392 ( -3.079 0.000 -28.852) 29.016 5.515 ( -9.558 0.000 -7.759) 12.311 5.866 ( -5.298 0.000 20.844) 21.507 6.307 ( 4.227 0.000 13.474) 14.122 6.558 ( -1.678 0.000 3.270) 3.676 6.759 ( -16.054 0.000 -8.913) 18.362 6.968 ( 5.309 0.000 18.940) 19.670 7.372 ( -8.553 0.000 -1.232) 8.642 7.495 ( -2.398 0.000 7.525) 7.898 7.531 ( -6.188 0.000 -10.009) 11.768 7.573 ( -6.819 0.000 -16.941) 18.262 7.665 ( -2.444 0.000 -4.395) 5.028 8.038 ( -4.900 0.000 12.664) 13.579 8.346 ( 0.196 0.000 -11.292) 11.294 8.461 ( 4.198 0.000 -7.410) 8.516 9.116 ( -0.039 0.000 3.175) 3.175 9.304 ( -6.584 0.000 5.746) 8.739 9.934 ( 11.659 0.000 10.470) 15.670 10.284 ( 9.710 0.000 -5.095) 10.965 10.592 ( 5.601 0.000 9.151) 10.729 10.625 ( 17.835 0.000 -4.032) 18.285 11.430 ( -6.270 0.000 -1.639) 6.480 11.464 ( -16.107 0.000 3.613) 16.507 11.929 ( 5.230 0.000 -10.914) 12.102 12.011 ( 4.129 0.000 -24.601) 24.945 12.050 ( -7.710 0.000 5.599) 9.529 12.305 ( -1.062 0.000 -0.492) 1.170 12.381 ( 6.888 0.000 1.832) 7.127 12.743 ( -6.966 0.000 -6.975) 9.858 12.920 ( 6.287 0.000 2.865) 6.909 13.112 ( -0.388 0.000 2.625) 2.654 13.366 ( 4.093 0.000 0.327) 4.106 13.375 ( -6.456 0.000 3.413) 7.302 13.888 ( -7.067 0.000 -0.478) 7.084 13.948 ( -3.262 0.000 4.980) 5.953 14.113 ( -4.552 0.000 6.181) 7.676 14.320 ( 2.694 0.000 2.420) 3.621 14.407 ( -5.624 0.000 -10.946) 12.307 14.582 ( -6.219 0.000 -8.903) 10.860 14.807 ( 5.298 0.000 -0.876) 5.370 15.054 ( -0.997 0.000 1.925) 2.168 15.079 ( -9.478 0.000 2.586) 9.825 15.135 ( -0.390 0.000 0.065) 0.395 15.430 ( -1.817 0.000 1.833) 2.581 15.590 ( -0.522 0.000 6.594) 6.615 15.680 ( -1.019 0.000 8.271) 8.334 16.152 ( 4.410 0.000 3.613) 5.701 16.558 ( -3.713 0.000 -10.408) 11.050 16.797 ( -0.007 0.000 -1.134) 1.134 17.130 ( 5.303 0.000 -7.944) 9.552 17.394 ( 44.796 0.000 50.198) 67.279 18.031 ( 0.409 0.000 -2.031) 2.072 18.280 ( 1.799 0.000 10.833) 10.982 18.507 ( 0.845 0.000 0.353) 0.916 18.524 ( 5.612 0.000 -5.320) 7.733 18.707 ( 0.667 0.000 -5.557) 5.597 18.945 ( 6.563 0.000 6.818) 9.463 19.254 ( -1.518 0.000 4.811) 5.045 19.757 ( 9.229 0.000 -0.440) 9.239 21.180 ( -7.528 0.000 0.219) 7.531 21.190 ( -9.650 0.000 -2.571) 9.987 21.340 ( -8.475 0.000 0.389) 8.484 22.301 ( -48.965 0.000 -56.579) 74.825 27.352 ( 1.260 0.000 0.097) 1.264 27.543 ( 2.127 0.000 -1.073) 2.383 27.730 ( 1.069 0.000 1.123) 1.551 27.839 ( 3.467 0.000 -1.465) 3.764 36.350 ( 1.230 0.000 4.121) 4.301 36.841 ( 3.269 0.000 -1.697) 3.683 37.518 ( -4.775 0.000 -4.545) 6.592 38.973 ( 4.065 0.000 -13.259) 13.868 39.179 ( 81.619 0.000 89.494) 121.123 39.533 ( 12.859 0.000 17.064) 21.366 40.075 ( 15.241 0.000 -0.152) 15.242 40.929 ( 8.943 0.000 3.827) 9.728 ======================= Grid point 101 (44/150) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 6.377 24.182 27.372) 37.077 1.616 ( -4.802 39.934 33.734) 52.496 2.661 ( 2.231 49.778 68.476) 84.686 3.020 ( 3.690 -25.537 9.709) 27.569 3.693 ( 4.003 1.847 -14.990) 15.625 3.968 ( 4.160 5.549 -3.621) 7.823 4.072 ( 1.024 -9.194 13.376) 16.263 4.310 ( -6.574 7.763 4.300) 11.044 4.930 ( 0.749 -2.884 -10.051) 10.483 5.323 ( 1.836 2.530 -30.700) 30.859 5.369 ( -5.694 2.454 -2.684) 6.756 5.819 ( 4.007 -10.965 11.517) 16.400 6.203 ( -1.798 -12.195 3.980) 12.954 6.277 ( 0.069 -16.637 -3.017) 16.908 6.475 ( -4.523 -4.496 3.684) 7.365 6.958 ( 5.324 -13.600 17.316) 22.653 7.104 ( 0.761 -9.653 -6.646) 11.744 7.144 ( -2.740 -20.265 0.194) 20.451 7.341 ( -0.512 2.351 3.678) 4.395 7.533 ( -3.063 -1.420 4.153) 5.352 7.758 ( -1.170 0.142 4.519) 4.670 7.924 ( 0.345 4.029 -10.981) 11.702 8.349 ( -0.748 7.558 -23.326) 24.531 8.658 ( -1.042 3.748 -10.443) 11.144 9.206 ( -1.273 6.799 8.915) 11.284 9.511 ( 1.030 18.760 -6.071) 19.745 9.912 ( -3.768 -7.423 7.829) 11.427 10.531 ( -1.033 6.154 -4.219) 7.533 10.803 ( 7.688 -1.816 10.544) 13.175 11.078 ( 20.689 -1.222 -11.495) 23.699 11.211 ( -8.464 1.325 0.067) 8.567 11.365 ( 3.208 -1.180 0.145) 3.421 11.812 ( -4.676 -5.594 -10.914) 13.125 11.857 ( -23.542 -3.079 0.731) 23.754 11.943 ( 5.555 -4.016 -4.823) 8.381 12.032 ( 9.254 -3.268 -15.560) 18.396 12.545 ( -2.277 0.418 7.089) 7.458 12.658 ( -2.081 5.014 5.665) 7.846 12.982 ( -0.516 -3.393 4.255) 5.467 13.140 ( -0.605 -0.544 7.203) 7.248 13.276 ( -4.168 -3.137 0.528) 5.243 13.479 ( -2.569 3.653 4.853) 6.595 13.537 ( 0.393 -8.713 11.122) 14.134 13.863 ( 2.155 5.505 -0.548) 5.937 14.108 ( -4.498 0.960 -2.052) 5.037 14.174 ( 3.040 0.829 -0.373) 3.173 14.410 ( 1.734 0.641 -0.579) 1.937 14.647 ( 1.555 -1.933 1.117) 2.721 14.722 ( -1.954 -16.434 1.211) 16.594 14.861 ( -0.601 -5.267 3.870) 6.563 14.988 ( 3.133 1.527 5.565) 6.566 15.130 ( -2.429 0.254 2.741) 3.671 15.251 ( 5.565 -11.955 14.221) 19.394 15.346 ( -4.537 -5.774 5.800) 9.358 15.618 ( 1.219 6.441 1.899) 6.825 16.063 ( -0.145 5.451 11.874) 13.066 16.634 ( -0.711 12.270 -8.063) 14.699 16.910 ( -0.616 9.731 4.443) 10.715 17.241 ( 0.637 6.093 -6.229) 8.737 17.971 ( -0.621 -5.853 0.400) 5.900 18.295 ( -1.122 1.179 5.369) 5.611 18.402 ( -3.532 -5.188 -8.810) 10.817 18.435 ( -0.318 -8.012 -2.327) 8.349 18.726 ( -0.340 8.804 -8.690) 12.375 18.972 ( 10.389 -7.429 6.036) 14.126 19.086 ( -4.784 -7.244 5.121) 10.079 19.437 ( -8.216 18.137 -21.660) 29.421 19.679 ( -2.911 2.471 -3.008) 4.861 21.112 ( 0.383 0.398 -0.217) 0.593 21.118 ( -0.576 -0.174 0.480) 0.770 21.214 ( 5.314 -0.749 -1.922) 5.700 21.229 ( 2.643 -1.413 -1.439) 3.325 27.440 ( 0.792 4.698 1.566) 5.015 27.607 ( 0.084 2.671 -1.626) 3.128 27.719 ( -1.340 -1.499 1.108) 2.296 27.846 ( 0.395 -2.378 -1.124) 2.660 36.499 ( 0.482 9.950 5.661) 11.458 37.266 ( 2.860 9.992 -10.604) 14.848 37.427 ( -6.223 9.199 -3.952) 11.789 38.676 ( 0.401 -18.409 -6.777) 19.621 39.785 ( -0.707 12.976 7.080) 14.798 40.260 ( 3.014 0.496 2.426) 3.900 40.857 ( 19.167 -24.685 19.364) 36.765 40.896 ( -1.807 -10.107 2.457) 10.557 ======================= Grid point 102 (45/150) ======================= q-point: ( 0.06 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 29.214 18.954 26.956) 44.037 1.750 ( 10.207 43.361 22.392) 49.858 3.149 ( 20.142 21.886 60.478) 67.397 3.319 ( 21.344 -11.550 22.465) 33.070 3.833 ( 16.349 2.920 -13.083) 21.142 4.078 ( 2.957 -8.912 10.272) 13.917 4.270 ( 15.485 -4.235 -0.937) 16.081 4.386 ( 15.603 16.135 4.200) 22.835 5.058 ( 15.240 -2.194 -12.748) 19.990 5.229 ( -0.340 -0.920 -14.611) 14.644 5.352 ( 4.965 4.657 -10.397) 12.427 5.995 ( 9.852 -17.121 6.920) 20.930 6.084 ( -4.978 -12.766 -11.104) 17.637 6.349 ( 7.276 -7.712 1.524) 10.711 6.543 ( 6.131 -1.304 13.084) 14.508 7.066 ( 1.744 -6.055 1.572) 6.495 7.159 ( 1.677 -22.688 9.389) 24.611 7.201 ( 10.471 -10.715 -3.006) 15.280 7.420 ( 4.523 3.440 6.007) 8.269 7.537 ( 6.741 1.178 1.331) 6.971 7.803 ( 5.178 -0.918 -3.313) 6.216 7.967 ( 6.469 0.915 -4.032) 7.678 8.237 ( 0.625 10.933 -27.244) 29.362 8.590 ( -1.398 2.127 -9.739) 10.066 9.209 ( -1.121 5.454 7.005) 8.949 9.503 ( 0.197 17.154 -1.967) 17.268 9.803 ( -8.412 -3.479 5.157) 10.463 10.423 ( -7.222 4.463 -4.562) 9.638 10.784 ( -11.088 -0.172 8.861) 14.195 11.016 ( -14.706 -1.337 3.684) 15.219 11.314 ( 6.729 -0.542 -7.352) 9.981 11.384 ( -4.378 -2.007 -5.713) 7.472 11.565 ( -0.979 -4.285 -6.822) 8.115 11.703 ( 5.035 -3.055 -11.075) 12.543 12.147 ( 14.275 -2.662 -6.547) 15.929 12.320 ( 8.351 -0.630 -1.109) 8.448 12.490 ( 0.334 -0.008 -0.590) 0.678 12.656 ( 4.355 3.405 0.684) 5.570 12.928 ( -4.684 -5.550 4.142) 8.361 13.128 ( -3.226 -1.364 6.436) 7.328 13.193 ( -3.704 -0.283 0.679) 3.776 13.484 ( 2.900 7.784 3.097) 8.865 13.644 ( 4.609 -7.637 7.881) 11.903 13.972 ( 0.910 5.146 2.541) 5.811 14.121 ( 9.740 3.205 1.414) 10.351 14.261 ( 1.564 -0.455 0.300) 1.657 14.403 ( 1.319 1.202 -0.983) 2.038 14.630 ( -4.233 -8.107 0.219) 9.148 14.760 ( 3.081 -3.115 4.378) 6.194 14.868 ( 1.917 -7.633 -0.423) 7.881 15.058 ( 2.469 -1.382 9.445) 9.860 15.153 ( 1.303 -9.806 8.981) 13.361 15.327 ( 0.748 -2.155 -0.208) 2.290 15.358 ( 3.286 -0.303 -0.646) 3.362 15.745 ( 8.945 -0.375 6.383) 10.995 16.118 ( 1.392 2.818 11.566) 11.985 16.594 ( -0.660 12.732 -6.757) 14.429 16.871 ( -4.043 9.233 0.125) 10.080 17.187 ( -4.298 4.550 -2.877) 6.889 17.942 ( -3.505 -7.633 3.321) 9.032 18.089 ( -18.172 16.427 -13.940) 28.185 18.330 ( -2.316 -2.508 6.370) 7.227 18.402 ( -2.647 -7.973 -1.846) 8.601 18.602 ( -9.165 16.892 -8.486) 21.008 18.841 ( -14.692 7.485 2.305) 16.649 18.980 ( -6.480 -1.504 2.219) 7.013 19.163 ( 1.311 -9.895 9.635) 13.873 19.625 ( -8.597 -1.812 -4.626) 9.929 21.173 ( 7.072 0.629 -0.353) 7.108 21.242 ( 11.340 1.069 -0.712) 11.412 21.326 ( 10.378 -1.071 -0.329) 10.438 21.786 ( 33.715 -14.958 -19.145) 41.557 27.431 ( -2.128 4.161 2.243) 5.184 27.579 ( -2.410 3.180 -1.412) 4.232 27.685 ( -2.212 -1.824 0.217) 2.875 27.819 ( -2.701 -2.193 -0.948) 3.606 36.522 ( -0.542 9.003 6.823) 11.310 37.207 ( -3.435 21.551 -14.507) 26.205 37.323 ( -5.929 -2.724 7.660) 10.062 38.587 ( -5.560 -15.296 -12.204) 20.343 39.713 ( -9.875 11.399 8.286) 17.208 40.186 ( -11.340 0.185 2.849) 11.694 40.556 ( -43.810 -12.034 33.745) 56.594 40.727 ( -14.312 -8.873 -1.087) 16.875 ======================= Grid point 103 (46/150) ======================= q-point: ( 0.12 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 13.949 35.942 23.447) 45.124 2.424 ( 34.632 17.557 20.103) 43.723 3.727 ( 25.189 -15.898 15.687) 33.664 4.005 ( 29.318 6.255 41.826) 51.460 4.202 ( 12.296 -2.133 7.277) 14.446 4.234 ( 23.382 4.200 9.630) 25.634 4.587 ( 18.562 -2.888 -0.704) 18.799 4.875 ( 29.749 12.853 -3.693) 32.617 5.140 ( 2.785 0.589 -15.906) 16.158 5.365 ( 8.762 4.043 -5.466) 11.090 5.563 ( 25.122 -0.726 -10.540) 27.254 6.013 ( 3.241 -11.204 -11.777) 16.576 6.227 ( 13.080 -20.918 -1.449) 24.713 6.558 ( 11.742 -7.166 9.823) 16.904 6.769 ( 12.084 2.670 9.115) 15.370 7.097 ( 3.062 1.815 -8.809) 9.501 7.223 ( 0.363 -17.560 18.980) 25.859 7.435 ( 13.943 -10.841 -5.890) 18.618 7.560 ( 9.375 -0.277 2.116) 9.614 7.801 ( 15.589 -2.668 7.741) 17.608 7.893 ( 8.397 5.266 -16.843) 19.543 8.159 ( 15.004 3.550 -0.479) 15.426 8.259 ( 11.072 9.217 -16.477) 21.887 8.544 ( 0.917 1.613 -10.305) 10.471 9.227 ( 1.433 3.238 2.406) 4.281 9.484 ( -2.883 4.043 -1.217) 5.113 9.680 ( -5.033 7.742 5.095) 10.547 10.251 ( -7.824 4.149 -4.753) 10.051 10.545 ( -14.856 1.245 5.306) 15.824 10.766 ( -12.477 -0.698 7.430) 14.538 11.148 ( -7.836 -5.565 -15.546) 18.277 11.329 ( -6.546 -6.730 -11.966) 15.210 11.647 ( 11.330 0.440 -1.844) 11.487 11.870 ( 6.580 -3.918 1.848) 7.878 12.188 ( -6.687 6.963 3.238) 10.183 12.395 ( 8.827 -0.352 -5.572) 10.445 12.606 ( 7.141 4.546 0.983) 8.522 12.794 ( 4.112 -4.744 -3.171) 7.033 12.955 ( 8.876 -8.538 -8.005) 14.689 13.093 ( -1.777 -1.883 3.568) 4.409 13.153 ( 0.255 4.003 1.088) 4.156 13.535 ( 0.728 9.252 -4.748) 10.425 13.744 ( 3.008 -8.960 7.756) 12.227 13.978 ( 0.412 1.738 6.554) 6.793 14.116 ( -7.999 -0.443 4.223) 9.057 14.431 ( 5.920 -0.752 0.543) 5.992 14.494 ( 6.908 3.056 3.551) 8.347 14.549 ( 0.101 1.647 2.508) 3.002 14.803 ( -1.512 0.086 2.073) 2.567 14.863 ( -0.315 -11.350 2.567) 11.641 15.218 ( 4.599 -5.207 12.000) 13.867 15.228 ( 5.395 -6.024 -0.294) 8.093 15.294 ( 0.255 -1.371 -1.240) 1.866 15.463 ( 6.081 1.969 -0.080) 6.392 15.886 ( 1.610 5.787 1.987) 6.327 16.228 ( 6.734 -3.947 9.510) 12.303 16.567 ( 0.479 10.917 -5.329) 12.158 16.769 ( -4.862 7.030 -5.876) 10.373 17.076 ( -5.731 3.146 0.093) 6.538 17.657 ( -16.948 13.969 -2.915) 22.155 17.935 ( -0.583 0.199 -1.714) 1.821 18.298 ( -5.803 2.122 2.494) 6.664 18.316 ( -3.074 -4.580 4.076) 6.858 18.462 ( -3.237 3.200 -4.150) 6.160 18.674 ( -6.607 -0.254 1.099) 6.703 18.891 ( -3.253 2.364 -1.722) 4.374 19.172 ( -3.630 -8.562 7.531) 11.967 19.402 ( -11.714 -3.599 -0.616) 12.269 21.377 ( 13.378 0.874 0.199) 13.408 21.498 ( 14.526 2.393 -1.243) 14.774 21.576 ( 14.399 -1.607 2.012) 14.627 22.189 ( 16.747 -14.036 -20.858) 30.208 27.389 ( -2.791 3.018 2.128) 4.628 27.509 ( -4.065 2.810 -1.152) 5.075 27.638 ( -2.581 -1.402 -0.644) 3.008 27.741 ( -4.746 -1.714 -0.891) 5.124 36.523 ( -2.002 7.278 6.578) 10.012 37.065 ( -6.018 20.435 -10.451) 23.728 37.219 ( -8.108 -3.213 8.959) 12.503 38.384 ( -9.871 -11.956 -14.764) 21.410 39.454 ( -21.030 8.299 12.905) 26.032 39.871 ( -26.596 -2.057 14.394) 30.311 39.879 ( -29.910 0.139 21.959) 37.106 40.357 ( -22.009 -7.476 -5.707) 23.934 ======================= Grid point 104 (47/150) ======================= q-point: ( 0.19 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 19.914 29.133 18.391) 39.794 3.122 ( 28.852 13.019 22.327) 38.735 4.231 ( 20.294 -14.017 8.907) 26.223 4.371 ( 11.873 -16.046 13.768) 24.249 4.637 ( 22.136 -1.536 1.900) 22.270 4.903 ( 16.815 -3.982 -4.625) 17.888 4.983 ( 33.330 11.887 27.640) 44.902 5.191 ( 10.406 3.561 -17.982) 21.079 5.447 ( 28.071 12.219 2.958) 30.757 5.516 ( 11.462 10.461 -2.112) 15.661 5.993 ( 16.362 -9.474 -11.348) 22.051 6.229 ( 26.136 -3.033 -5.671) 26.915 6.506 ( 17.377 -18.227 -4.854) 25.646 6.827 ( 10.602 -7.563 8.936) 15.794 7.045 ( 13.069 3.123 4.421) 14.146 7.158 ( 8.091 1.893 -8.267) 11.721 7.301 ( 2.773 -12.076 8.853) 15.228 7.675 ( 14.360 -2.468 -1.360) 14.633 7.816 ( 15.609 -6.645 -1.333) 17.017 8.084 ( 16.511 11.253 -6.515) 21.017 8.155 ( 17.941 -2.405 8.752) 20.107 8.411 ( 10.008 8.857 -2.183) 13.541 8.537 ( 11.298 -0.395 -11.509) 16.133 8.624 ( 20.588 3.640 -6.242) 21.820 9.283 ( 4.049 -0.847 -4.147) 5.857 9.377 ( -6.420 -5.664 0.545) 8.579 9.634 ( -2.529 12.139 2.179) 12.589 10.111 ( -5.422 2.512 -4.609) 7.546 10.299 ( -10.795 2.880 4.329) 11.982 10.555 ( -11.726 -0.943 0.999) 11.806 10.978 ( -4.397 -6.509 -8.319) 11.441 11.144 ( -7.623 -7.468 -9.630) 14.374 11.818 ( 2.000 2.567 5.733) 6.592 11.921 ( 3.771 -0.533 1.845) 4.232 12.184 ( 1.966 4.433 4.654) 6.722 12.434 ( -0.767 4.475 -7.784) 9.011 12.782 ( 8.563 -1.549 -1.777) 8.882 12.902 ( 8.570 -3.850 -1.770) 9.561 12.986 ( 0.040 -5.166 -3.554) 6.271 13.090 ( -0.178 1.946 1.930) 2.747 13.257 ( 7.882 -0.728 -7.193) 10.695 13.494 ( -0.027 9.390 -10.760) 14.281 13.793 ( -1.197 -8.711 7.504) 11.560 13.933 ( -7.928 -3.549 2.998) 9.189 14.106 ( 4.687 0.248 7.914) 9.201 14.384 ( -3.752 4.904 9.217) 11.094 14.549 ( -4.504 1.768 3.436) 5.935 14.645 ( -0.904 -4.862 1.698) 5.228 14.777 ( 3.218 -1.687 -1.153) 3.811 14.955 ( 7.059 4.169 2.798) 8.662 15.144 ( -4.799 -1.274 -2.162) 5.416 15.365 ( 3.278 -8.108 4.366) 9.775 15.432 ( 7.546 -3.079 6.201) 10.241 15.557 ( 2.551 -0.780 -0.038) 2.668 15.850 ( -3.646 12.564 3.911) 13.655 16.418 ( 8.882 -6.526 4.747) 12.001 16.560 ( -0.580 8.004 -3.353) 8.697 16.666 ( -0.920 3.578 -15.529) 15.962 16.996 ( -2.219 2.092 1.381) 3.348 17.401 ( -8.274 9.355 -3.878) 13.077 17.937 ( 0.567 -0.721 1.919) 2.127 18.173 ( -6.709 1.778 1.447) 7.090 18.292 ( -2.175 -1.796 5.424) 6.114 18.387 ( -3.394 -4.138 -5.088) 7.384 18.582 ( -3.728 0.157 4.513) 5.856 18.816 ( -4.067 1.130 -3.305) 5.361 19.092 ( -6.603 -4.234 4.052) 8.829 19.221 ( -6.411 -2.354 2.748) 7.361 21.660 ( 14.800 0.931 1.213) 14.879 21.760 ( 13.040 4.218 -2.854) 13.999 21.881 ( 15.154 -3.447 5.143) 16.370 22.339 ( 7.069 -9.486 -16.177) 20.041 27.345 ( -2.347 1.916 1.654) 3.452 27.424 ( -4.011 2.171 -1.122) 4.697 27.582 ( -2.798 -1.060 -0.855) 3.111 27.638 ( -5.295 -1.097 -1.017) 5.503 36.491 ( -3.492 5.402 5.073) 8.192 36.902 ( -7.103 15.774 -8.504) 19.277 37.081 ( -9.708 -0.721 10.858) 14.583 38.109 ( -12.468 -9.261 -14.983) 21.580 39.045 ( -25.216 4.836 17.893) 31.295 39.402 ( -25.838 -0.863 18.004) 31.504 39.443 ( -23.976 -0.733 5.657) 24.646 39.866 ( -24.754 -5.587 -10.591) 27.498 ======================= Grid point 105 (48/150) ======================= q-point: ( 0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 22.496 22.019 14.739) 34.758 3.686 ( 20.812 8.836 20.392) 30.448 4.574 ( 13.092 -8.311 13.452) 20.529 4.643 ( 9.117 -21.465 8.345) 24.769 5.016 ( 15.361 0.264 4.677) 16.060 5.133 ( 12.781 -4.182 -9.106) 16.240 5.292 ( 11.209 4.056 -22.678) 25.620 5.658 ( 19.737 7.705 -2.981) 21.397 5.737 ( 18.256 7.978 1.617) 19.989 6.069 ( 27.082 10.301 13.245) 31.858 6.244 ( 15.316 -6.476 -0.027) 16.629 6.736 ( 21.936 -0.938 -10.612) 24.386 6.874 ( 22.612 -13.836 3.856) 26.788 7.017 ( 11.461 -4.493 -3.465) 12.788 7.231 ( 7.194 -2.685 -3.141) 8.296 7.423 ( 18.333 5.374 1.828) 19.192 7.481 ( 14.235 -7.396 4.660) 16.705 7.997 ( 17.756 3.967 1.541) 18.259 8.138 ( 17.979 -1.783 2.830) 18.288 8.431 ( 17.241 2.730 3.134) 17.735 8.537 ( 13.300 3.590 -1.598) 13.868 8.578 ( 13.676 2.572 5.377) 14.919 8.713 ( 14.406 6.703 -6.230) 17.067 9.076 ( 22.346 -2.848 -6.192) 23.363 9.226 ( -5.081 -7.646 -2.825) 9.605 9.369 ( 2.744 -3.091 -5.011) 6.496 9.602 ( 0.436 7.221 -1.826) 7.461 9.942 ( -9.692 -0.210 -4.646) 10.750 10.213 ( -2.555 2.278 2.663) 4.337 10.333 ( -8.594 1.132 -1.180) 8.748 10.911 ( -1.776 -7.276 -2.950) 8.050 10.988 ( -4.848 -4.331 -3.798) 7.529 11.838 ( 1.063 4.950 5.770) 7.676 12.029 ( 2.653 -2.040 6.854) 7.628 12.212 ( -1.383 1.589 1.063) 2.359 12.376 ( -0.596 9.546 -5.055) 10.818 12.841 ( -0.704 -6.918 -6.668) 9.634 12.982 ( 4.221 -2.773 -3.257) 6.010 13.074 ( 1.239 -0.125 -1.268) 1.777 13.156 ( 9.315 1.030 -0.547) 9.388 13.326 ( 3.751 4.175 -4.093) 6.947 13.507 ( 4.801 3.150 -10.834) 12.262 13.769 ( -4.054 -6.072 5.106) 8.909 13.802 ( -4.445 -5.872 -0.827) 7.411 14.203 ( 1.047 -0.128 12.372) 12.417 14.392 ( -2.318 4.412 2.357) 5.513 14.430 ( -5.007 1.041 4.692) 6.940 14.561 ( -5.992 -3.227 2.371) 7.207 14.841 ( 1.978 2.511 -1.206) 3.417 14.986 ( -4.659 3.387 4.345) 7.215 15.162 ( 5.720 0.260 -1.518) 5.924 15.371 ( -4.655 -3.968 -2.721) 6.695 15.526 ( -0.827 0.621 3.209) 3.372 15.573 ( 1.485 -4.513 8.621) 9.844 15.867 ( 2.991 9.728 6.999) 12.352 16.504 ( -2.447 2.125 -4.884) 5.862 16.574 ( 5.576 -5.058 -2.695) 7.996 16.641 ( 4.981 2.132 -16.725) 17.581 17.007 ( 2.836 1.262 -0.542) 3.151 17.304 ( -0.565 4.770 -4.173) 6.363 17.963 ( 0.893 -0.731 2.712) 2.947 18.057 ( -5.608 0.960 1.066) 5.788 18.255 ( -3.108 -3.310 -2.206) 5.048 18.307 ( -3.815 -0.551 5.797) 6.962 18.558 ( -1.200 -1.478 6.197) 6.483 18.712 ( -5.274 -3.738 -1.733) 6.692 18.982 ( -5.469 2.121 3.214) 6.688 19.156 ( -2.065 -0.662 1.198) 2.477 21.933 ( 12.307 1.219 0.977) 12.405 21.983 ( 11.291 3.538 -2.182) 12.032 22.171 ( 12.207 -3.558 5.514) 13.859 22.378 ( 2.877 -5.644 -11.004) 12.698 27.313 ( -1.525 1.094 1.292) 2.278 27.352 ( -2.976 1.548 -0.968) 3.491 27.524 ( -3.227 -0.966 -0.808) 3.464 27.539 ( -4.026 -0.472 -1.120) 4.205 36.430 ( -4.279 4.001 3.049) 6.604 36.735 ( -7.009 10.226 -6.353) 13.930 36.934 ( -9.674 1.914 11.610) 15.233 37.803 ( -13.517 -7.480 -13.431) 20.470 38.649 ( -21.660 2.972 14.326) 26.139 38.952 ( -25.047 -3.991 7.672) 26.498 39.030 ( -21.875 1.735 9.793) 24.029 39.358 ( -22.251 -3.952 -13.366) 26.256 ======================= Grid point 106 (49/150) ======================= q-point: ( 0.31 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( 21.718 15.394 11.723) 29.088 4.074 ( 13.067 5.338 13.788) 19.732 4.769 ( 2.935 -13.636 11.860) 18.309 4.880 ( 11.790 -10.189 10.243) 18.648 5.203 ( 4.102 3.312 -2.899) 6.017 5.332 ( 10.194 -0.633 -4.872) 11.316 5.471 ( 13.481 3.963 -14.892) 20.474 5.897 ( 10.738 6.004 -0.154) 12.304 6.072 ( 13.897 -1.613 -8.976) 16.622 6.409 ( 10.346 -3.073 -1.768) 10.937 6.632 ( 15.549 6.971 6.600) 18.274 6.982 ( 13.494 -7.020 -7.877) 17.129 7.288 ( 16.975 -3.797 -11.686) 20.955 7.374 ( 13.306 -8.423 -0.998) 15.779 7.438 ( 25.455 0.875 13.546) 28.849 7.798 ( 19.078 8.844 0.714) 21.040 7.854 ( 21.382 0.088 4.520) 21.855 8.328 ( 14.730 7.663 1.933) 16.716 8.511 ( 16.850 0.891 5.967) 17.897 8.597 ( 3.780 4.681 0.373) 6.028 8.808 ( 14.212 -0.757 4.456) 14.914 8.899 ( 13.667 0.845 3.271) 14.078 9.054 ( 10.950 -0.415 -3.984) 11.660 9.122 ( 6.594 -5.497 -0.901) 8.632 9.369 ( 4.087 1.909 -5.645) 7.226 9.432 ( 10.248 -8.166 -6.914) 14.816 9.609 ( -1.741 -3.052 -4.599) 5.787 9.784 ( -2.208 1.654 -4.593) 5.358 10.064 ( -7.911 -0.308 -1.541) 8.065 10.341 ( 4.421 2.184 4.098) 6.412 10.820 ( -5.274 -3.727 -3.813) 7.500 10.969 ( 1.163 -2.396 2.179) 3.441 11.919 ( 4.280 2.541 5.640) 7.523 12.045 ( -4.303 -2.376 11.583) 12.583 12.140 ( -2.381 3.382 -7.836) 8.861 12.414 ( 4.474 9.826 -0.523) 10.809 12.789 ( -1.706 -6.932 -5.883) 9.250 13.012 ( 1.069 -0.276 -6.350) 6.445 13.051 ( -2.084 2.373 -2.067) 3.775 13.319 ( 7.704 -1.829 -0.277) 7.923 13.439 ( 6.307 2.911 2.153) 7.272 13.571 ( 6.121 0.216 -9.925) 11.663 13.683 ( -4.273 -3.408 2.738) 6.113 13.766 ( -0.104 -6.438 -4.061) 7.612 14.240 ( -5.406 2.883 9.335) 11.166 14.268 ( -2.621 1.910 1.785) 3.702 14.364 ( -6.447 2.247 -1.059) 6.909 14.516 ( -0.486 -2.474 5.923) 6.437 14.801 ( -5.841 1.632 0.134) 6.066 14.972 ( 1.311 4.217 7.818) 8.979 15.182 ( -4.675 5.152 1.344) 7.085 15.216 ( -7.531 -4.189 -6.933) 11.060 15.523 ( 0.204 -1.055 3.910) 4.055 15.645 ( 1.577 -5.564 10.421) 11.918 15.966 ( 4.077 7.828 5.693) 10.503 16.461 ( 0.304 -2.316 -6.978) 7.359 16.620 ( 5.807 -1.774 -18.696) 19.657 16.725 ( 5.589 -0.363 -4.504) 7.187 17.079 ( 5.063 0.683 -4.150) 6.582 17.321 ( 3.046 1.718 -3.359) 4.850 17.956 ( -3.155 0.639 -0.728) 3.300 17.991 ( -1.028 -2.064 2.688) 3.542 18.178 ( -3.427 0.459 -0.177) 3.462 18.277 ( -3.011 -0.091 9.829) 10.280 18.569 ( -0.207 -2.637 5.474) 6.080 18.615 ( -4.580 -6.287 1.974) 8.025 18.908 ( -3.226 6.134 1.892) 7.185 19.128 ( -1.153 0.095 -0.962) 1.505 22.124 ( 7.954 1.611 -1.420) 8.239 22.189 ( 9.732 2.045 0.548) 9.960 22.363 ( 3.843 -3.833 -1.945) 5.766 22.404 ( 5.239 -2.189 -0.332) 5.688 27.294 ( -0.964 0.669 0.048) 1.175 27.306 ( -1.414 0.767 0.433) 1.666 27.446 ( -3.573 -0.031 -1.508) 3.878 27.486 ( -1.971 -0.760 -0.323) 2.137 36.352 ( -4.473 3.507 1.016) 5.774 36.600 ( -4.749 4.927 -2.596) 7.320 36.798 ( -8.382 3.312 10.070) 13.514 37.495 ( -13.542 -6.314 -10.988) 18.547 38.314 ( -17.356 2.084 8.604) 19.484 38.515 ( -21.756 -2.500 3.595) 22.192 38.668 ( -18.813 1.223 8.807) 20.808 38.933 ( -16.436 -3.206 -11.964) 20.581 ======================= Grid point 107 (50/150) ======================= q-point: ( 0.38 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.807 ( 17.439 8.167 8.511) 21.053 4.311 ( 7.799 3.358 8.011) 11.674 4.846 ( 1.038 -8.803 10.114) 13.449 5.107 ( 7.966 -7.075 8.207) 13.449 5.228 ( 2.078 6.470 -8.726) 11.060 5.468 ( 2.781 4.629 4.662) 7.135 5.637 ( 7.187 4.148 -4.365) 9.376 6.096 ( 10.512 -0.324 -2.084) 10.721 6.234 ( 6.795 -10.169 -7.659) 14.431 6.541 ( 4.035 -1.798 1.167) 4.569 6.850 ( 9.300 7.311 -4.558) 12.678 7.235 ( 13.530 -4.461 -8.748) 16.718 7.483 ( 10.625 -1.902 -7.487) 13.136 7.725 ( 19.340 -5.494 1.561) 20.165 7.936 ( 18.954 2.046 6.316) 20.084 8.130 ( 14.194 12.577 0.359) 18.968 8.297 ( 21.108 0.824 2.265) 21.245 8.552 ( 7.287 4.253 1.649) 8.597 8.643 ( 4.452 3.810 2.802) 6.495 8.824 ( 8.435 0.692 4.332) 9.508 8.980 ( 5.691 6.446 -1.330) 8.701 9.025 ( -2.933 -9.740 4.363) 11.068 9.170 ( 11.962 -3.529 1.873) 12.612 9.337 ( 0.110 4.672 -9.314) 10.420 9.419 ( 3.873 -0.116 -0.516) 3.909 9.537 ( 3.216 -7.998 0.554) 8.638 9.644 ( 11.014 -3.749 -5.201) 12.745 9.748 ( -0.498 -7.001 -2.129) 7.335 10.031 ( 4.979 3.825 -0.689) 6.317 10.456 ( 4.994 -1.853 3.670) 6.469 10.708 ( -4.726 -0.398 -1.812) 5.077 10.982 ( -1.201 1.618 0.107) 2.018 11.954 ( -3.967 -1.973 5.169) 6.808 11.984 ( -3.771 -1.650 4.602) 6.174 12.167 ( 6.958 5.657 -0.761) 9.000 12.509 ( 5.846 5.586 -4.381) 9.196 12.732 ( -2.529 -5.856 -2.466) 6.838 12.988 ( -0.630 2.213 -5.181) 5.669 13.026 ( 0.532 1.538 -1.284) 2.073 13.451 ( 5.349 -5.215 0.817) 7.515 13.536 ( 2.980 -0.210 3.868) 4.887 13.601 ( -1.215 -1.169 -0.763) 1.850 13.710 ( 7.213 1.556 -7.677) 10.648 13.756 ( 1.275 -5.164 -5.801) 7.870 14.113 ( -6.785 4.606 3.196) 8.801 14.224 ( -6.716 4.446 0.820) 8.096 14.289 ( 0.563 3.631 2.535) 4.464 14.511 ( -3.252 -0.086 2.697) 4.226 14.688 ( -4.694 -3.391 3.736) 6.891 15.007 ( -7.921 0.310 3.856) 8.815 15.043 ( -4.779 0.677 0.635) 4.868 15.078 ( -2.472 5.191 3.062) 6.514 15.555 ( 0.966 -3.261 4.313) 5.493 15.703 ( 0.891 -7.198 7.389) 10.354 16.056 ( 3.333 8.091 3.298) 9.351 16.456 ( 1.625 -3.045 -7.202) 7.986 16.689 ( 8.048 -1.733 -17.047) 18.931 16.801 ( 4.906 -0.047 -8.446) 9.768 17.161 ( 4.969 0.317 -5.320) 7.286 17.380 ( 3.916 -0.727 -2.516) 4.711 17.901 ( -1.809 0.986 0.019) 2.061 17.975 ( -1.956 -3.033 2.750) 4.537 18.126 ( -2.626 3.254 2.924) 5.102 18.254 ( -3.194 -0.572 9.476) 10.017 18.546 ( -4.243 -5.366 5.266) 8.633 18.582 ( -0.247 -2.675 3.207) 4.183 18.869 ( -1.273 6.952 0.558) 7.090 19.100 ( -1.099 0.326 -2.268) 2.541 22.246 ( 5.302 0.929 -1.244) 5.525 22.345 ( 5.798 1.061 0.051) 5.895 22.380 ( 1.334 -1.314 -2.362) 3.014 22.513 ( 3.660 -1.906 2.090) 4.626 27.273 ( -0.676 0.468 -0.907) 1.224 27.300 ( -0.078 -0.152 1.653) 1.662 27.383 ( -2.243 0.696 -1.673) 2.884 27.453 ( -1.344 -0.703 0.074) 1.518 36.270 ( -3.955 3.609 -0.025) 5.354 36.541 ( -1.825 -0.645 2.758) 3.369 36.693 ( -4.986 4.421 5.637) 8.729 37.203 ( -12.777 -4.992 -8.474) 16.124 38.042 ( -13.009 1.611 3.319) 13.522 38.155 ( -15.708 -0.661 -0.265) 15.724 38.380 ( -13.985 1.424 7.853) 16.102 38.642 ( -9.763 -3.195 -8.093) 13.078 ======================= Grid point 108 (51/150) ======================= q-point: ( 0.44 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( 9.700 -0.387 4.089) 10.533 4.441 ( 2.107 0.237 7.381) 7.679 4.892 ( 0.761 -3.096 6.612) 7.340 5.217 ( 1.559 4.427 -3.122) 5.637 5.275 ( 5.039 3.773 2.857) 6.913 5.452 ( -6.013 6.894 5.204) 10.524 5.744 ( 4.834 3.609 4.738) 7.671 6.244 ( 4.700 -12.225 -11.230) 17.253 6.343 ( 8.295 -7.632 2.242) 11.493 6.598 ( 1.016 -1.200 5.357) 5.583 6.994 ( 7.209 10.185 -5.296) 13.556 7.397 ( 7.686 -3.664 -15.394) 17.592 7.656 ( 7.192 1.452 2.888) 7.885 8.064 ( 14.383 -1.226 -3.290) 14.805 8.173 ( 5.729 4.056 -5.793) 9.102 8.325 ( 5.887 7.592 -1.682) 9.753 8.550 ( 6.348 1.810 -5.609) 8.662 8.651 ( 2.210 -0.436 4.637) 5.155 8.821 ( 1.943 -6.227 1.161) 6.626 8.861 ( 0.481 0.920 3.912) 4.048 8.937 ( 1.917 3.412 0.334) 3.928 9.108 ( 0.034 3.431 2.230) 4.092 9.317 ( 5.480 2.517 0.973) 6.108 9.371 ( 7.352 -5.142 0.996) 9.027 9.467 ( 2.680 1.505 -1.143) 3.279 9.515 ( -4.276 -6.409 0.097) 7.706 9.710 ( -0.466 -1.316 3.019) 3.326 9.915 ( 10.142 -6.483 -0.787) 12.063 10.180 ( 9.136 0.525 -1.068) 9.213 10.520 ( -0.386 -6.420 2.040) 6.747 10.649 ( -0.677 4.785 0.019) 4.833 10.918 ( -4.006 3.651 -3.355) 6.374 11.858 ( -5.794 0.164 0.877) 5.862 11.968 ( -0.371 -2.961 7.236) 7.827 12.283 ( 2.750 3.612 -1.290) 4.720 12.599 ( 5.727 -2.782 -8.020) 10.239 12.700 ( 1.254 -1.182 -0.358) 1.760 12.981 ( 0.896 3.435 0.927) 3.669 13.046 ( 1.615 -0.474 -1.837) 2.491 13.508 ( 0.192 -2.454 0.143) 2.465 13.569 ( 0.598 -4.407 1.022) 4.563 13.632 ( 2.991 -3.019 2.668) 5.018 13.761 ( 1.586 -2.206 -7.377) 7.862 13.815 ( 5.446 1.727 -5.279) 7.778 14.031 ( -2.737 6.138 4.956) 8.351 14.108 ( -5.244 5.896 2.768) 8.362 14.322 ( 2.652 5.080 -2.688) 6.329 14.426 ( -4.306 2.733 1.389) 5.285 14.639 ( -2.984 -5.059 2.000) 6.204 14.797 ( -10.303 0.458 -1.943) 10.495 14.974 ( -3.827 -0.911 7.949) 8.869 15.102 ( -0.205 3.698 7.079) 7.989 15.580 ( 0.066 -4.560 3.364) 5.667 15.733 ( -0.130 -8.006 5.021) 9.451 16.109 ( 1.034 8.775 0.809) 8.872 16.470 ( 2.323 -2.152 -4.942) 5.870 16.767 ( 3.542 -0.467 -8.220) 8.963 16.886 ( 10.118 -0.997 -18.292) 20.927 17.229 ( 3.907 -0.488 -4.410) 5.911 17.444 ( 3.202 -2.909 -1.935) 4.739 17.890 ( 0.030 0.968 2.549) 2.727 17.936 ( -3.089 -1.599 3.736) 5.105 18.094 ( -1.967 3.258 3.667) 5.285 18.223 ( -3.388 -0.945 8.505) 9.203 18.479 ( -4.925 -2.665 5.788) 8.054 18.581 ( -0.537 -2.363 0.837) 2.563 18.854 ( -0.647 6.253 -1.061) 6.375 19.077 ( -0.087 0.240 -2.101) 2.116 22.326 ( 3.446 0.325 -0.429) 3.488 22.382 ( 0.610 -0.916 -0.622) 1.264 22.438 ( 2.639 1.258 -0.026) 2.924 22.558 ( 0.760 -1.390 0.265) 1.606 27.263 ( -0.049 0.014 -0.685) 0.687 27.303 ( -0.405 -0.644 0.853) 1.143 27.352 ( -0.291 1.277 -0.781) 1.525 27.433 ( -0.835 -0.490 0.255) 1.001 36.215 ( -1.533 3.201 0.813) 3.641 36.507 ( -4.468 -3.474 7.345) 9.273 36.688 ( 3.997 3.422 -0.190) 5.265 36.948 ( -10.287 -2.667 -6.244) 12.326 37.839 ( -8.400 1.302 -0.744) 8.533 37.915 ( -8.573 0.029 -2.461) 8.919 38.193 ( -7.937 2.407 6.501) 10.538 38.495 ( -3.020 -3.427 -4.341) 6.302 ======================= Grid point 109 (52/150) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.218 ( 1.936 -6.373 1.515) 6.831 4.415 ( -7.277 -6.489 6.094) 11.498 4.917 ( -1.609 1.386 5.550) 5.943 5.218 ( -0.164 8.745 -1.462) 8.868 5.271 ( -10.736 2.553 1.315) 11.114 5.420 ( 6.019 11.747 6.088) 14.536 5.884 ( 7.055 2.485 8.463) 11.294 6.250 ( 0.175 -13.207 -4.302) 13.891 6.500 ( 5.261 -8.295 -1.340) 9.914 6.630 ( 0.437 -1.398 7.143) 7.292 7.075 ( 3.063 11.707 -4.133) 12.787 7.409 ( -0.617 -2.147 -18.234) 18.370 7.740 ( -1.387 3.359 7.566) 8.393 8.091 ( -6.615 9.986 -10.775) 16.111 8.230 ( 2.068 0.302 -16.640) 16.770 8.387 ( 1.409 2.173 -1.088) 2.809 8.522 ( -8.358 -5.326 1.146) 9.977 8.671 ( -3.507 3.886 -1.483) 5.441 8.755 ( 5.575 2.456 4.122) 7.355 8.890 ( -4.129 -3.718 -2.219) 5.982 8.966 ( -3.709 0.592 3.030) 4.826 9.175 ( 7.474 -0.482 0.259) 7.494 9.336 ( -8.719 -3.770 5.136) 10.799 9.468 ( 3.483 -5.086 -0.758) 6.211 9.507 ( 6.693 -0.514 -2.193) 7.062 9.583 ( 5.052 -0.603 8.639) 10.027 9.683 ( -2.468 1.333 2.041) 3.469 10.033 ( 1.762 -5.463 3.031) 6.491 10.330 ( 6.205 -3.391 -1.603) 7.250 10.444 ( -7.450 -2.828 0.495) 7.984 10.640 ( -1.926 6.968 0.249) 7.233 10.862 ( 1.112 0.783 -4.981) 5.163 11.764 ( -3.886 1.532 0.374) 4.193 12.004 ( 0.906 -3.282 6.157) 7.035 12.243 ( -4.088 5.546 -4.331) 8.138 12.663 ( 2.258 -6.948 1.776) 7.519 12.793 ( 8.576 1.772 -8.677) 12.328 13.029 ( 2.810 1.702 4.523) 5.591 13.055 ( -0.702 -1.103 -0.645) 1.458 13.492 ( -1.265 1.941 -0.673) 2.413 13.581 ( -0.053 -7.912 1.550) 8.062 13.635 ( -4.178 -4.563 -0.657) 6.221 13.776 ( 2.928 0.922 -2.492) 3.954 13.894 ( 3.874 1.833 -1.759) 4.632 14.036 ( 0.979 2.525 4.264) 5.051 14.074 ( 0.766 3.065 3.734) 4.891 14.350 ( 0.970 7.464 -5.508) 9.327 14.407 ( 2.439 4.390 1.669) 5.292 14.571 ( -3.496 0.347 -3.038) 4.645 14.628 ( -6.044 -1.509 -0.282) 6.236 14.957 ( -1.586 -3.310 10.534) 11.155 15.107 ( -1.480 1.612 5.348) 5.778 15.580 ( -1.415 -3.839 3.098) 5.132 15.734 ( -1.290 -7.287 2.585) 7.839 16.095 ( -2.436 8.891 -0.591) 9.238 16.507 ( 2.692 -2.579 -2.960) 4.760 16.772 ( 0.400 2.754 -6.238) 6.830 17.039 ( 11.992 -3.298 -19.449) 23.086 17.280 ( 2.581 -1.837 -2.291) 3.909 17.468 ( -0.529 -3.692 -1.800) 4.141 17.884 ( -2.228 -0.010 4.985) 5.460 17.930 ( 1.413 -0.395 3.474) 3.771 18.076 ( -1.505 2.978 4.725) 5.785 18.188 ( -3.187 -0.910 7.391) 8.101 18.400 ( -5.066 -0.461 5.078) 7.188 18.572 ( -0.153 -2.195 -1.342) 2.578 18.829 ( -1.065 6.430 -2.516) 6.987 19.087 ( 1.508 -0.349 -1.060) 1.876 22.379 ( 1.408 -0.135 0.254) 1.437 22.390 ( 0.887 -0.322 1.198) 1.525 22.455 ( -0.783 0.997 -0.870) 1.538 22.552 ( -1.095 -1.121 -1.151) 1.945 27.264 ( 0.202 -0.359 -0.516) 0.660 27.293 ( -0.423 -0.060 -0.234) 0.487 27.363 ( 1.087 0.686 0.601) 1.419 27.423 ( -0.303 -0.160 0.181) 0.387 36.226 ( 2.127 2.086 2.621) 3.968 36.436 ( -4.796 -2.523 4.851) 7.273 36.724 ( -4.815 1.923 -4.115) 6.620 36.875 ( 9.165 -1.452 -0.172) 9.281 37.714 ( -3.778 1.110 -3.618) 5.348 37.803 ( -1.959 -0.757 -3.367) 3.968 38.124 ( -1.278 3.943 4.760) 6.311 38.491 ( 3.683 -3.743 -1.472) 5.454 ======================= Grid point 110 (53/150) ======================= q-point: (-0.44 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.115 ( -14.915 -5.212 3.495) 16.181 4.306 ( -3.731 -12.384 3.162) 13.315 4.836 ( -9.332 2.206 7.687) 12.290 5.023 ( -13.562 0.116 -3.194) 13.933 5.216 ( 0.295 8.387 0.107) 8.393 5.582 ( 6.394 12.918 8.509) 16.738 6.054 ( 6.664 1.630 6.470) 9.430 6.233 ( -1.827 -9.988 3.574) 10.764 6.496 ( -3.789 -5.805 -3.256) 7.659 6.656 ( -1.225 -5.213 0.358) 5.367 7.090 ( -1.486 9.043 -4.301) 10.123 7.237 ( -8.511 8.177 -12.548) 17.227 7.654 ( -9.360 2.666 5.499) 11.178 7.829 ( -15.934 5.755 -14.041) 22.004 8.139 ( -4.303 2.965 -12.469) 13.520 8.204 ( -14.788 5.274 -3.596) 16.107 8.448 ( -3.583 -4.026 5.017) 7.363 8.627 ( -9.439 0.551 2.541) 9.790 8.685 ( -4.571 -3.782 -8.772) 10.590 8.867 ( 0.353 4.672 2.066) 5.121 8.931 ( -1.781 -1.168 4.228) 4.734 9.118 ( -12.122 -2.167 1.014) 12.355 9.289 ( 1.007 -5.499 3.709) 6.709 9.508 ( -0.332 -8.003 -1.222) 8.102 9.560 ( -3.359 -0.318 -2.670) 4.303 9.640 ( 4.901 -2.547 -1.189) 5.650 9.745 ( 3.871 1.924 9.821) 10.731 9.999 ( -6.356 -6.813 5.152) 10.648 10.258 ( -9.503 1.387 0.758) 9.634 10.423 ( 2.617 -3.843 -1.787) 4.981 10.598 ( -0.251 5.459 -1.262) 5.609 10.895 ( 2.649 0.455 -4.033) 4.846 11.714 ( -1.528 2.306 0.149) 2.770 12.008 ( -2.911 -1.785 -0.196) 3.420 12.183 ( 0.606 7.707 1.428) 7.862 12.709 ( 1.869 -4.162 1.707) 4.872 12.908 ( 4.369 2.267 -4.732) 6.828 13.005 ( -3.965 0.956 3.004) 5.066 13.120 ( 5.600 -2.570 0.333) 6.170 13.445 ( -3.779 0.523 -0.820) 3.902 13.516 ( -6.255 -0.958 -0.465) 6.345 13.591 ( 0.550 -7.438 0.467) 7.473 13.816 ( 1.143 1.346 -0.069) 1.767 13.952 ( 2.108 2.701 2.164) 4.053 14.089 ( 2.450 -5.750 1.894) 6.531 14.138 ( 3.151 0.632 4.175) 5.269 14.303 ( -1.813 4.940 -8.738) 10.200 14.501 ( 3.207 2.835 -4.416) 6.150 14.521 ( 0.157 0.959 2.539) 2.718 14.588 ( 3.614 5.805 2.397) 7.245 14.993 ( 1.978 -2.809 8.341) 9.020 15.095 ( -1.069 -0.988 2.925) 3.267 15.551 ( -2.645 -2.098 3.605) 4.939 15.702 ( -2.635 -5.398 0.325) 6.016 16.017 ( -5.248 8.399 -0.640) 9.925 16.536 ( 1.075 -4.442 -3.357) 5.671 16.744 ( -1.180 5.365 -4.651) 7.198 17.179 ( 9.014 -4.638 -18.912) 21.457 17.299 ( -0.686 -3.282 -2.503) 4.184 17.414 ( -3.484 -1.481 0.626) 3.837 17.880 ( 0.194 -0.555 3.846) 3.890 17.962 ( -0.415 -3.263 2.951) 4.419 18.088 ( 1.333 3.201 6.428) 7.303 18.161 ( -2.185 -0.107 6.889) 7.228 18.332 ( -3.438 1.012 4.598) 5.830 18.572 ( 1.002 -2.302 -2.315) 3.415 18.807 ( 0.007 7.140 -2.181) 7.466 19.116 ( 1.559 -0.993 -0.705) 1.979 22.366 ( -2.195 0.464 1.174) 2.532 22.404 ( -3.846 1.059 -1.480) 4.255 22.441 ( 2.594 -1.180 1.850) 3.398 22.508 ( -2.802 -1.074 -1.950) 3.579 27.264 ( 0.115 -0.121 -0.504) 0.531 27.293 ( 0.511 -0.220 0.208) 0.593 27.391 ( 1.609 0.257 0.605) 1.738 27.424 ( 0.471 0.179 -0.015) 0.504 36.315 ( 5.182 0.075 4.999) 7.200 36.368 ( -2.854 -1.469 1.338) 3.477 36.636 ( -1.784 6.801 -2.842) 7.583 37.134 ( 16.034 -4.582 1.463) 16.740 37.663 ( 0.189 1.085 -5.805) 5.909 37.810 ( 3.955 -2.581 -4.249) 6.353 38.179 ( 5.331 5.833 3.118) 8.495 38.624 ( 10.145 -4.160 0.535) 10.978 ======================= Grid point 111 (54/150) ======================= q-point: (-0.38 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.757 ( -22.329 -2.321 4.711) 22.938 4.198 ( -11.498 -8.489 5.003) 15.143 4.636 ( -12.740 -0.844 6.739) 14.437 4.755 ( -11.937 -6.853 -3.950) 14.319 5.219 ( -0.874 7.526 1.013) 7.644 5.686 ( 0.473 8.667 8.098) 11.871 6.129 ( -4.483 -0.276 5.316) 6.959 6.180 ( -5.347 -6.076 -0.907) 8.145 6.355 ( -8.107 -5.315 -7.136) 12.037 6.550 ( -7.521 -3.292 -6.892) 10.720 6.872 ( -13.642 14.345 0.914) 19.817 7.157 ( -4.203 14.687 -0.711) 15.293 7.373 ( -21.903 4.949 -10.885) 24.954 7.487 ( -9.244 -2.846 -0.307) 9.677 7.851 ( -17.740 4.397 -5.278) 19.024 8.017 ( -6.548 -2.836 -8.782) 11.315 8.285 ( -19.438 -2.769 9.789) 21.940 8.360 ( -11.971 -3.215 1.819) 12.528 8.613 ( -3.306 0.549 -7.947) 8.625 8.811 ( -9.248 -2.912 -1.082) 9.756 8.868 ( -10.915 4.064 4.583) 12.516 8.892 ( -4.943 -0.089 2.529) 5.553 9.261 ( -6.417 -7.011 -0.822) 9.540 9.397 ( -9.453 -8.749 0.294) 12.884 9.446 ( -5.134 3.171 -5.582) 8.220 9.740 ( 2.654 -6.065 2.799) 7.188 9.771 ( -1.755 3.265 -1.549) 4.017 9.965 ( 0.360 -4.014 9.241) 10.081 10.102 ( -5.796 1.055 2.078) 6.247 10.410 ( -2.812 -0.640 -0.223) 2.893 10.668 ( 7.663 1.765 -2.335) 8.203 10.918 ( 1.344 -0.774 -2.409) 2.865 11.696 ( -0.474 1.966 -0.402) 2.062 11.920 ( -4.631 1.920 -1.173) 5.148 12.263 ( 5.394 5.598 3.366) 8.471 12.740 ( -0.356 -1.625 1.772) 2.430 12.865 ( -5.060 6.071 3.505) 8.646 13.008 ( 2.282 1.663 -0.675) 2.904 13.236 ( 5.157 -5.345 -0.797) 7.470 13.346 ( -4.368 0.001 -2.846) 5.213 13.407 ( -4.819 -0.689 -0.758) 4.926 13.601 ( 0.060 -6.326 -0.540) 6.349 13.822 ( -0.856 1.826 0.365) 2.049 13.964 ( -4.264 4.203 6.299) 8.691 14.091 ( -1.066 -1.023 -4.176) 4.430 14.175 ( 3.742 -5.664 -4.246) 8.007 14.344 ( 4.985 -2.581 0.425) 5.630 14.479 ( -2.040 -3.726 6.521) 7.783 14.575 ( 4.531 5.926 -3.793) 8.369 14.755 ( 8.707 9.500 3.111) 13.256 15.098 ( 4.287 -0.168 -1.711) 4.619 15.111 ( 4.910 -4.420 6.768) 9.458 15.510 ( -2.899 -0.399 3.772) 4.774 15.635 ( -4.300 -4.022 -0.267) 5.894 15.898 ( -6.515 7.796 -0.109) 10.160 16.515 ( -1.718 -6.230 -4.585) 7.924 16.694 ( -2.353 6.479 -3.284) 7.635 17.155 ( -7.861 -1.268 -8.028) 11.307 17.252 ( 1.241 -1.787 -13.105) 13.284 17.410 ( 1.989 -3.591 1.470) 4.361 17.913 ( 1.775 -2.009 2.708) 3.811 17.930 ( -3.009 -3.893 0.566) 4.953 18.162 ( 0.231 1.441 8.335) 8.462 18.177 ( 4.006 0.353 7.160) 8.212 18.314 ( 0.048 2.364 4.078) 4.714 18.600 ( 2.806 -2.557 -1.658) 4.142 18.815 ( 1.287 7.098 -1.327) 7.335 19.136 ( 0.707 -1.298 -0.498) 1.560 22.280 ( -6.998 0.509 -1.103) 7.103 22.319 ( -4.554 2.036 0.541) 5.018 22.405 ( -5.891 -1.686 -2.258) 6.531 22.521 ( 3.716 -2.227 2.564) 5.034 27.268 ( 0.432 0.291 -0.217) 0.564 27.311 ( 1.132 -0.557 0.682) 1.435 27.430 ( 2.255 0.080 -0.111) 2.259 27.443 ( 1.562 0.299 0.043) 1.591 36.318 ( -1.500 0.117 0.914) 1.760 36.469 ( 7.137 -1.541 3.019) 7.901 36.653 ( 4.705 11.540 1.002) 12.502 37.487 ( 18.802 -7.681 2.477) 20.461 37.677 ( 4.229 1.559 -7.066) 8.381 37.920 ( 9.430 -4.853 -6.330) 12.351 38.348 ( 11.008 7.882 1.884) 13.669 38.883 ( 15.968 -4.730 1.832) 16.754 ======================= Grid point 112 (55/150) ======================= q-point: (-0.31 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( -25.423 2.295 7.655) 26.650 3.846 ( -25.846 3.505 4.045) 26.395 4.434 ( -10.829 -4.645 4.835) 12.736 4.541 ( -9.956 -17.719 0.460) 20.330 5.145 ( -9.166 3.498 -0.767) 9.841 5.651 ( -7.379 3.686 7.728) 11.303 5.776 ( -24.333 3.703 -9.765) 26.479 6.029 ( -14.315 2.104 1.295) 14.527 6.174 ( -7.610 -1.602 -8.504) 11.523 6.373 ( -9.254 -1.304 -3.262) 9.899 6.594 ( -21.119 8.921 4.858) 23.435 6.910 ( -9.316 5.526 -12.771) 16.746 7.046 ( -14.046 10.924 7.846) 19.447 7.249 ( -17.323 -1.519 -11.774) 21.000 7.616 ( -4.923 -4.587 1.813) 6.969 7.773 ( -16.619 2.559 -0.180) 16.816 7.924 ( -18.954 -10.194 11.077) 24.205 8.095 ( -16.306 -7.613 3.316) 18.298 8.474 ( -9.444 1.591 -7.659) 12.263 8.489 ( -18.043 -5.695 -5.814) 19.794 8.719 ( -11.409 7.587 5.563) 14.787 8.773 ( -7.212 -0.593 4.522) 8.533 8.980 ( -15.987 1.608 -6.723) 17.417 9.306 ( -2.749 -4.636 2.628) 5.996 9.352 ( -2.916 1.122 -2.753) 4.164 9.707 ( -7.776 -3.685 1.140) 8.680 9.749 ( 0.732 1.932 -7.385) 7.669 9.888 ( -6.692 2.224 7.196) 10.075 10.136 ( 3.081 -4.638 0.463) 5.587 10.366 ( -0.345 2.560 1.937) 3.229 10.851 ( 12.007 -0.040 -2.879) 12.348 10.958 ( 3.796 -3.411 0.404) 5.119 11.692 ( 0.303 0.514 -0.121) 0.608 11.841 ( -3.455 0.770 1.607) 3.888 12.384 ( 5.646 4.687 0.575) 7.361 12.663 ( -7.431 5.794 6.191) 11.274 12.854 ( 1.904 3.943 0.604) 4.420 13.042 ( 1.298 2.848 -2.031) 3.731 13.181 ( -7.876 -1.502 2.591) 8.426 13.323 ( -4.595 1.798 1.360) 5.119 13.367 ( 4.008 -7.344 -8.034) 11.599 13.589 ( -0.390 -7.179 -0.565) 7.212 13.735 ( -5.363 3.155 -7.714) 9.911 13.917 ( -0.247 4.869 5.233) 7.152 14.092 ( 0.243 -1.445 1.196) 1.891 14.247 ( 4.724 -7.909 -3.170) 9.743 14.373 ( -3.198 -1.823 1.880) 4.133 14.489 ( 1.090 -3.092 8.839) 9.427 14.695 ( 7.217 4.049 -0.463) 8.289 14.876 ( 3.574 4.559 -0.165) 5.796 15.195 ( 6.620 -1.082 -0.824) 6.758 15.277 ( 6.928 -0.016 3.027) 7.560 15.479 ( -1.553 0.436 3.525) 3.876 15.537 ( -4.410 -1.912 -0.499) 4.832 15.783 ( -5.229 6.331 2.063) 8.466 16.439 ( -4.022 -8.050 -5.327) 10.457 16.646 ( -0.628 6.700 -3.046) 7.387 16.934 ( -11.086 3.823 -6.422) 13.370 17.191 ( -3.035 -0.663 -9.861) 10.339 17.449 ( 1.295 -5.214 -2.540) 5.942 17.872 ( -2.115 -3.023 -1.269) 3.901 17.966 ( 2.770 -3.455 1.845) 4.798 18.206 ( 0.824 2.453 10.401) 10.718 18.299 ( 5.195 -1.652 6.780) 8.700 18.365 ( 4.115 2.597 1.963) 5.247 18.675 ( 5.264 -2.720 0.362) 5.936 18.842 ( 2.069 6.073 -1.252) 6.536 19.141 ( -0.026 -1.275 0.148) 1.284 22.108 ( -10.158 0.196 -1.402) 10.256 22.205 ( -7.657 2.231 -0.144) 7.977 22.252 ( -9.036 -0.355 -1.522) 9.170 22.612 ( 4.360 -5.010 2.662) 7.155 27.280 ( 0.856 0.550 0.101) 1.023 27.342 ( 1.845 -0.437 0.790) 2.054 27.478 ( 3.002 0.114 -0.779) 3.103 27.487 ( 2.928 -0.044 0.177) 2.934 36.310 ( 0.390 2.598 0.166) 2.632 36.592 ( 5.926 4.024 -1.680) 7.358 36.845 ( 12.365 8.877 9.152) 17.762 37.685 ( 5.004 -0.929 -9.937) 11.164 37.940 ( 19.413 -6.839 7.947) 22.063 38.133 ( 17.020 -7.144 -12.017) 22.026 38.608 ( 14.954 10.040 1.171) 18.050 39.247 ( 20.540 -5.507 2.598) 21.424 ======================= Grid point 113 (56/150) ======================= q-point: (-0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( -26.830 7.891 11.805) 30.356 3.287 ( -32.244 11.204 3.840) 34.350 4.246 ( -10.392 -5.444 6.006) 13.180 4.318 ( -15.264 -22.302 2.633) 27.153 4.723 ( -33.476 2.995 -7.085) 34.348 5.265 ( -25.707 13.594 0.495) 29.084 5.489 ( -14.932 4.272 8.761) 17.831 5.699 ( -15.450 3.194 -3.420) 16.143 5.925 ( -14.685 3.372 -9.941) 18.051 6.153 ( -11.418 -1.795 -6.542) 13.281 6.193 ( -16.754 -5.974 -3.917) 18.214 6.697 ( -17.388 -1.732 -12.082) 21.244 6.764 ( -10.760 3.976 4.386) 12.281 6.923 ( -13.308 2.573 -0.183) 13.556 7.226 ( -27.866 -1.304 2.425) 28.002 7.615 ( -16.805 -15.345 6.458) 23.656 7.700 ( -5.522 3.206 13.998) 15.385 7.810 ( -10.618 -13.257 3.471) 17.336 8.085 ( -18.892 -11.765 -8.591) 23.856 8.231 ( -12.909 0.304 -2.186) 13.096 8.499 ( -11.624 10.976 2.688) 16.212 8.599 ( -13.213 7.512 -0.697) 15.215 8.729 ( -7.143 7.544 -3.674) 11.020 9.163 ( -14.611 -2.833 -0.946) 14.913 9.319 ( -0.617 -1.438 -1.141) 1.937 9.530 ( -7.035 -1.651 1.519) 7.384 9.736 ( 0.688 7.789 -1.280) 7.923 9.865 ( 2.444 2.149 -1.999) 3.820 10.131 ( -0.873 -4.046 -4.773) 6.318 10.429 ( 4.148 2.891 3.680) 6.254 11.080 ( 8.708 -5.533 0.881) 10.355 11.106 ( 15.386 -2.679 -4.675) 16.302 11.702 ( 0.145 -0.522 1.545) 1.637 11.800 ( -2.042 -1.822 4.892) 5.605 12.437 ( -2.736 2.336 1.274) 3.816 12.581 ( -0.432 10.656 2.760) 11.016 12.892 ( 0.964 3.222 -0.336) 3.380 12.971 ( -7.656 0.261 -3.756) 8.531 13.100 ( -2.262 3.923 2.763) 5.305 13.137 ( -13.102 2.522 -2.351) 13.548 13.375 ( 1.498 -7.750 -7.359) 10.792 13.627 ( 1.985 -9.589 1.162) 9.861 13.664 ( 1.987 3.602 -7.896) 8.903 13.978 ( 5.098 4.437 2.463) 7.193 14.084 ( -3.037 -2.797 6.993) 8.121 14.234 ( -8.037 2.494 2.603) 8.808 14.362 ( 5.625 -11.691 -1.571) 13.068 14.587 ( 4.787 -2.695 8.906) 10.464 14.763 ( -0.572 1.859 -0.164) 1.952 14.953 ( 4.653 0.463 -1.594) 4.940 15.225 ( -4.943 -1.400 -0.231) 5.143 15.318 ( -3.751 -6.204 1.640) 7.433 15.445 ( 0.029 6.255 1.301) 6.389 15.584 ( 5.039 6.020 0.557) 7.871 15.735 ( -0.070 4.224 5.742) 7.128 16.328 ( -5.329 -8.705 -5.342) 11.520 16.672 ( 4.434 3.562 -6.913) 8.952 16.716 ( -8.069 9.112 -0.113) 12.172 17.078 ( -4.584 1.615 -8.504) 9.795 17.423 ( -2.444 -3.865 -3.996) 6.073 17.864 ( 2.123 -2.101 -2.086) 3.643 18.033 ( 3.561 -4.791 1.618) 6.185 18.263 ( 1.094 3.441 9.784) 10.429 18.405 ( 3.514 2.444 4.181) 5.984 18.488 ( 7.374 -3.016 1.410) 8.091 18.780 ( 3.425 0.451 1.583) 3.800 18.910 ( 6.861 1.213 -0.989) 7.038 19.144 ( 0.496 -1.040 1.479) 1.875 21.882 ( -12.545 -0.329 -0.962) 12.586 22.012 ( -11.753 -1.770 -1.879) 12.033 22.055 ( -11.082 5.267 0.208) 12.272 22.696 ( 3.184 -9.377 0.823) 9.937 27.301 ( 1.186 0.847 0.152) 1.465 27.390 ( 2.781 0.055 0.594) 2.845 27.541 ( 3.678 -0.066 -0.320) 3.693 27.556 ( 4.175 -0.464 -0.467) 4.227 36.331 ( 1.540 5.321 0.226) 5.544 36.712 ( 7.554 8.250 -2.636) 11.493 37.165 ( 15.911 8.233 14.294) 22.919 37.732 ( 4.224 0.802 -12.659) 13.369 38.277 ( 13.505 -8.693 4.558) 16.695 38.545 ( 28.308 -8.849 -9.253) 31.069 38.922 ( 16.670 12.314 1.235) 20.762 39.683 ( 23.034 -6.503 3.069) 24.130 ======================= Grid point 114 (57/150) ======================= q-point: (-0.19 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -27.806 13.237 15.621) 34.531 2.668 ( -33.255 17.976 9.278) 38.925 3.895 ( -38.461 -0.065 5.302) 38.825 3.960 ( -29.558 -2.349 -2.680) 29.772 4.109 ( -8.048 -8.308 8.500) 14.354 4.712 ( -29.738 8.066 -1.871) 30.869 5.087 ( -28.904 5.473 5.616) 29.949 5.416 ( -16.889 4.677 1.094) 17.559 5.655 ( -7.499 -0.047 -16.218) 17.868 5.863 ( -11.454 -2.548 -8.740) 14.631 5.941 ( -11.022 -0.682 -5.983) 12.560 6.333 ( -16.273 -16.518 -5.685) 23.874 6.490 ( -18.610 1.744 -2.626) 18.875 6.593 ( -20.754 -1.919 5.523) 21.562 6.860 ( -9.950 -0.555 11.238) 15.020 7.325 ( -15.466 -16.912 7.303) 24.053 7.478 ( -14.244 -6.764 1.660) 15.856 7.656 ( -15.065 -15.861 1.711) 21.942 7.816 ( -5.726 -0.878 3.596) 6.818 7.994 ( -12.922 0.428 4.223) 13.602 8.302 ( -12.816 7.956 -2.698) 15.324 8.339 ( -7.094 10.183 -6.318) 13.926 8.586 ( -6.875 7.692 -4.065) 11.088 8.830 ( -15.722 2.400 -0.810) 15.925 9.256 ( -4.382 1.341 -1.697) 4.887 9.498 ( 1.776 -0.562 0.400) 1.905 9.770 ( 0.176 12.623 8.415) 15.172 9.945 ( 8.737 0.241 -11.511) 14.454 10.146 ( 5.752 -2.435 -5.134) 8.086 10.514 ( 3.148 3.249 3.042) 5.451 11.295 ( 13.458 -8.214 -0.860) 15.791 11.389 ( 15.448 -4.445 -12.208) 20.185 11.710 ( -0.138 -1.585 6.871) 7.053 11.782 ( -2.866 -2.898 6.273) 7.480 12.318 ( -8.534 3.601 4.188) 10.166 12.619 ( 0.763 7.059 -2.422) 7.502 12.743 ( -15.548 -1.065 -1.463) 15.653 12.810 ( -9.232 5.575 -5.149) 11.951 12.924 ( 1.228 3.947 -5.432) 6.826 13.138 ( 1.240 4.390 3.539) 5.774 13.369 ( 0.018 -2.210 -6.479) 6.845 13.619 ( -0.045 -8.614 -3.854) 9.437 13.716 ( 0.098 -3.322 2.368) 4.081 13.988 ( -7.688 -2.403 5.099) 9.533 14.122 ( 4.004 4.557 4.077) 7.309 14.144 ( 2.631 -0.590 4.291) 5.068 14.487 ( 7.214 -10.324 -1.736) 12.713 14.690 ( -6.349 2.226 0.136) 6.730 14.718 ( 4.341 -5.405 9.920) 12.102 14.983 ( -1.237 -2.468 -4.213) 5.037 15.094 ( -7.596 -2.353 6.396) 10.205 15.192 ( -8.873 -14.090 -2.317) 16.811 15.447 ( -0.550 9.180 1.344) 9.294 15.615 ( -2.057 9.490 3.883) 10.458 15.805 ( 1.915 4.541 2.336) 5.453 16.194 ( -6.407 -4.636 -2.685) 8.352 16.613 ( 0.014 8.180 0.924) 8.232 16.792 ( 5.815 2.848 -3.662) 7.439 16.987 ( -0.189 5.018 -6.950) 8.575 17.379 ( 1.712 3.946 -3.924) 5.822 17.922 ( 4.134 -1.977 -2.605) 5.271 18.122 ( 5.108 -5.818 2.117) 8.026 18.320 ( 1.520 4.269 7.282) 8.577 18.471 ( 2.222 4.797 1.548) 5.508 18.637 ( 7.294 -5.449 0.426) 9.114 18.806 ( -0.020 3.424 -0.166) 3.428 19.065 ( 5.396 -4.098 2.419) 7.195 19.220 ( 9.118 -0.678 2.303) 9.429 21.624 ( -13.552 -0.636 -0.389) 13.573 21.755 ( -13.912 -2.712 -0.761) 14.195 21.817 ( -13.347 7.041 -0.905) 15.117 22.713 ( -1.730 -16.113 -4.507) 16.821 27.326 ( 1.411 1.437 -0.034) 2.014 27.453 ( 3.595 0.769 0.212) 3.683 27.615 ( 3.754 -0.314 0.305) 3.780 27.643 ( 4.995 -1.030 -0.950) 5.187 36.368 ( 2.040 7.694 1.088) 8.034 36.864 ( 8.992 9.935 -2.602) 13.650 37.562 ( 19.261 11.212 13.417) 26.013 37.754 ( 2.567 2.434 -6.992) 7.836 38.542 ( 13.537 -8.005 -0.300) 15.730 39.084 ( 29.013 -7.792 -6.326) 30.701 39.251 ( 16.487 13.953 3.124) 21.824 40.140 ( 22.450 -7.602 3.437) 23.950 ======================= Grid point 115 (58/150) ======================= q-point: (-0.12 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -29.903 15.651 18.328) 38.406 2.097 ( -30.538 24.053 19.391) 43.441 3.097 ( -41.086 37.755 23.511) 60.549 3.471 ( -23.210 -21.474 -1.803) 31.672 4.021 ( -6.050 -10.288 8.745) 14.796 4.179 ( -21.548 4.416 -4.214) 22.396 4.520 ( -28.483 6.995 2.699) 29.454 5.002 ( -24.441 4.778 0.845) 24.918 5.432 ( -11.621 -0.531 -16.949) 20.558 5.647 ( -10.208 0.610 -22.806) 24.994 5.701 ( -6.904 -0.837 -2.978) 7.566 6.012 ( -17.348 -3.237 5.134) 18.379 6.171 ( -10.267 -9.743 12.002) 18.558 6.357 ( -5.632 -15.390 -2.141) 16.527 6.776 ( -5.065 -5.538 15.568) 17.282 7.034 ( -16.431 -9.900 -0.821) 19.200 7.277 ( -7.725 -16.054 9.646) 20.260 7.379 ( -11.016 -13.589 -5.858) 18.448 7.686 ( -12.904 1.860 7.266) 14.926 7.749 ( -11.335 0.536 2.879) 11.707 8.024 ( -13.220 4.892 -0.338) 14.101 8.197 ( -6.680 4.303 -10.761) 13.377 8.469 ( -2.110 7.714 -9.650) 12.533 8.650 ( -1.970 8.641 -1.324) 8.961 9.189 ( -2.293 4.932 2.412) 5.950 9.521 ( 0.512 5.864 -4.441) 7.374 9.807 ( 1.206 8.306 9.398) 12.600 10.123 ( 13.070 1.139 -7.685) 15.205 10.327 ( 14.474 -0.403 -4.989) 15.315 10.579 ( 2.744 4.188 3.263) 5.976 11.504 ( 0.233 -2.626 -7.851) 8.281 11.583 ( 16.166 -9.735 -6.810) 20.062 11.692 ( -9.137 -2.254 4.734) 10.534 11.794 ( 6.079 -7.274 -3.032) 9.953 12.198 ( -3.856 3.773 4.547) 7.056 12.394 ( -14.588 -0.081 -4.923) 15.396 12.541 ( -6.612 5.437 2.347) 8.876 12.789 ( 4.058 3.330 -2.686) 5.897 12.906 ( -1.561 3.437 -6.643) 7.640 13.165 ( -0.278 4.697 3.323) 5.760 13.340 ( 0.062 -0.675 -3.453) 3.519 13.557 ( -7.057 2.146 -3.093) 7.999 13.659 ( -5.424 -17.472 12.221) 22.001 13.934 ( -0.086 -2.227 0.254) 2.243 14.138 ( 0.761 0.291 4.477) 4.550 14.336 ( 10.560 1.227 -0.031) 10.631 14.464 ( -11.566 0.189 1.917) 11.726 14.669 ( 7.920 -3.240 -2.401) 8.888 14.817 ( -0.827 -3.399 5.391) 6.426 14.893 ( -5.734 -7.079 -3.690) 9.829 14.952 ( -9.090 -17.873 -2.157) 20.168 15.026 ( -6.455 -10.671 16.321) 20.540 15.424 ( -3.634 7.260 2.720) 8.562 15.553 ( -5.756 7.585 3.368) 10.100 15.744 ( -6.039 2.879 -3.844) 7.716 16.095 ( -4.687 2.219 5.561) 7.604 16.676 ( 3.244 8.215 2.190) 9.100 16.825 ( 0.708 4.202 -2.710) 5.050 17.061 ( 8.843 6.437 -5.081) 12.060 17.550 ( 18.093 14.343 0.478) 23.093 17.993 ( 4.433 -0.429 -2.840) 5.282 18.246 ( 6.352 -4.155 2.992) 8.159 18.379 ( 2.853 3.177 2.725) 5.065 18.507 ( 1.701 7.123 -1.209) 7.423 18.762 ( 5.357 -1.523 -2.958) 6.306 18.803 ( 0.685 1.156 2.588) 2.916 19.133 ( 1.517 -5.191 5.424) 7.659 19.486 ( 15.191 -1.829 1.460) 15.370 21.370 ( -12.104 -0.336 -0.056) 12.109 21.474 ( -14.759 -0.510 -0.624) 14.781 21.550 ( -13.035 3.828 -1.354) 13.653 22.532 ( -15.613 -24.876 -15.485) 33.202 27.356 ( 1.762 2.673 0.023) 3.202 27.526 ( 3.731 1.536 -0.349) 4.049 27.682 ( 2.766 -0.549 0.902) 2.961 27.736 ( 4.888 -1.694 -1.220) 5.315 36.415 ( 2.041 9.252 2.541) 9.809 37.034 ( 9.403 9.451 -3.023) 13.670 37.684 ( 0.605 6.795 -22.983) 23.974 38.121 ( 24.043 7.762 35.958) 43.947 38.838 ( 19.572 2.604 3.707) 20.089 39.504 ( 14.885 11.815 -2.352) 19.149 39.651 ( 23.905 -1.077 2.320) 24.041 40.550 ( 17.811 -8.513 3.604) 20.067 ======================= Grid point 116 (59/150) ======================= q-point: (-0.06 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -31.521 16.451 20.562) 41.074 1.706 ( -18.342 32.824 32.792) 49.891 2.617 ( -20.842 54.389 49.116) 76.190 3.101 ( -13.720 -25.015 3.340) 28.726 3.789 ( -9.244 1.678 -11.886) 15.151 4.036 ( -2.456 -8.990 12.743) 15.787 4.087 ( -15.094 7.121 -0.109) 16.690 4.563 ( -19.687 5.710 1.919) 20.588 5.102 ( -13.571 -2.192 -10.173) 17.102 5.425 ( -1.808 2.596 -31.319) 31.479 5.549 ( -9.014 2.553 -6.969) 11.676 5.784 ( -6.316 -6.265 12.249) 15.139 6.160 ( -0.214 -11.131 18.007) 21.171 6.288 ( -0.903 -19.699 -3.523) 20.031 6.684 ( -12.693 -9.953 -5.250) 16.962 6.828 ( -0.708 -7.040 18.321) 19.640 7.164 ( -5.556 -18.556 -2.146) 19.488 7.237 ( -4.970 -14.281 2.907) 15.398 7.439 ( -10.661 2.319 1.523) 11.016 7.593 ( -6.605 -1.025 6.131) 9.070 7.825 ( -7.633 2.028 3.617) 8.687 8.027 ( -5.140 6.025 -14.332) 16.375 8.417 ( 0.571 7.073 -14.839) 16.448 8.671 ( 3.057 6.891 -6.656) 10.056 9.185 ( -0.179 7.196 7.120) 10.125 9.505 ( 0.989 14.233 -6.444) 15.655 9.882 ( 2.112 -0.417 9.513) 9.753 10.385 ( 15.113 4.067 -1.638) 15.737 10.622 ( 10.256 2.572 -1.980) 10.758 10.681 ( 14.053 3.544 1.145) 14.538 11.404 ( -6.444 -1.316 -1.551) 6.758 11.457 ( -14.317 -1.405 2.642) 14.627 11.815 ( 5.965 -7.921 -13.641) 16.864 11.850 ( 7.092 -9.885 -11.930) 17.039 12.130 ( -7.293 1.315 -2.801) 7.923 12.185 ( -6.827 -1.450 -1.447) 7.128 12.523 ( 3.477 4.760 2.625) 6.453 12.760 ( -10.643 -2.245 -0.478) 10.888 12.896 ( 5.992 0.550 1.107) 6.118 13.148 ( -2.452 1.377 5.116) 5.839 13.361 ( -2.024 1.533 -0.848) 2.677 13.419 ( -1.243 0.192 6.106) 6.234 13.599 ( -5.893 -15.409 10.316) 19.458 13.910 ( -3.076 -0.565 -0.657) 3.195 14.161 ( -1.289 -0.818 0.875) 1.760 14.271 ( -5.699 1.200 -1.091) 5.925 14.509 ( -10.338 -1.031 -3.937) 11.110 14.549 ( 2.319 -2.136 -3.839) 4.968 14.797 ( -2.225 -7.944 1.431) 8.373 14.822 ( 1.633 -14.097 2.201) 14.360 14.909 ( 0.580 -4.725 6.357) 7.942 15.069 ( 3.113 -11.628 20.630) 23.885 15.286 ( -10.550 3.756 1.920) 11.362 15.440 ( -6.399 -0.211 4.476) 7.812 15.643 ( -2.999 6.704 -1.245) 7.449 16.047 ( -2.787 5.692 9.967) 11.811 16.681 ( -0.845 9.949 -7.321) 12.381 16.868 ( 2.416 7.168 5.442) 9.318 17.201 ( 6.141 6.833 -6.388) 11.189 17.932 ( 7.607 -6.048 2.900) 10.142 18.174 ( 15.856 -1.614 4.176) 16.476 18.376 ( 6.711 2.493 0.411) 7.170 18.444 ( 3.155 -2.688 -6.744) 7.915 18.593 ( 14.243 18.515 -4.074) 23.712 18.780 ( 0.916 4.453 -1.558) 4.806 18.959 ( 14.137 2.769 4.383) 15.058 19.176 ( 1.564 -1.582 6.072) 6.466 19.746 ( 9.299 -1.668 -1.971) 9.651 21.179 ( -7.083 0.191 -0.249) 7.090 21.208 ( -10.704 1.020 -1.819) 10.905 21.328 ( -9.180 -0.377 -0.358) 9.195 21.892 ( -43.281 -22.676 -23.574) 54.251 27.398 ( 2.402 4.295 0.812) 4.987 27.586 ( 2.539 2.106 -1.130) 3.487 27.721 ( 0.753 -0.922 1.239) 1.718 27.813 ( 3.300 -2.196 -1.265) 4.161 36.462 ( 1.435 9.937 4.048) 10.825 37.189 ( 7.593 7.241 -5.085) 11.660 37.572 ( -4.023 10.577 -17.048) 20.461 38.587 ( 10.700 -17.150 7.526) 21.569 39.615 ( 39.202 10.346 32.260) 51.813 39.767 ( 30.353 23.144 6.875) 38.784 40.066 ( 16.978 -0.359 1.915) 17.090 40.827 ( 8.818 -9.003 3.112) 12.981 ======================= Grid point 117 (60/150) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 5.802 28.761 18.763) 34.827 2.315 ( 4.624 -20.740 12.449) 24.627 2.628 ( 0.649 35.813 22.278) 42.182 3.449 ( 1.076 -26.297 17.131) 31.403 3.832 ( 1.994 3.796 -12.657) 13.363 3.894 ( 0.746 9.006 0.540) 9.053 4.089 ( 1.719 40.213 25.016) 47.390 4.573 ( -1.942 12.059 -0.595) 12.229 4.825 ( -1.325 -6.807 -2.919) 7.524 5.203 ( -3.341 -29.806 0.318) 29.994 5.444 ( 0.107 4.958 -11.775) 12.777 5.589 ( 1.532 -8.762 -4.216) 9.844 5.768 ( 0.385 -9.208 3.510) 9.862 5.929 ( -4.780 -15.787 -2.741) 16.721 6.462 ( 1.563 7.232 6.646) 9.946 6.729 ( 3.198 -15.574 2.334) 16.069 6.846 ( 0.845 4.419 9.231) 10.269 6.987 ( 0.599 -6.466 0.020) 6.493 7.402 ( -1.427 3.061 4.154) 5.354 7.474 ( -1.704 -3.374 4.383) 5.787 7.803 ( -1.620 4.143 -1.305) 4.636 7.910 ( -1.415 -4.549 -7.888) 9.215 8.543 ( -0.761 8.280 -15.393) 17.495 8.668 ( -1.542 -2.653 -9.194) 9.693 9.398 ( -2.159 10.286 0.739) 10.536 9.623 ( -2.063 -8.709 -2.942) 9.421 10.125 ( 1.483 23.093 -4.469) 23.568 10.518 ( 2.043 -9.831 -6.749) 12.098 10.869 ( 4.697 6.508 5.253) 9.592 11.002 ( 9.611 -4.533 -2.291) 10.870 11.255 ( -2.069 2.609 0.329) 3.346 11.316 ( 2.220 -3.025 -0.690) 3.815 11.693 ( -5.557 -1.914 -16.799) 17.798 11.782 ( -10.015 -7.431 -11.433) 16.918 11.882 ( 4.616 -0.244 -2.180) 5.111 11.918 ( 1.668 -3.635 -6.098) 7.293 12.592 ( -1.371 4.906 15.784) 16.585 12.708 ( -1.082 -2.568 16.704) 16.935 12.920 ( -2.396 -0.334 -1.169) 2.687 12.998 ( -3.064 -6.754 6.611) 9.935 13.340 ( -2.516 5.207 -0.259) 5.789 13.428 ( 0.298 -3.256 4.590) 5.636 13.630 ( 2.740 10.654 2.829) 11.358 13.889 ( 5.186 -7.919 0.100) 9.466 14.091 ( 2.383 -0.771 -0.672) 2.593 14.117 ( -0.977 -3.195 0.181) 3.346 14.437 ( 1.291 1.622 -2.557) 3.292 14.472 ( -3.775 -2.473 -3.698) 5.834 14.690 ( 1.659 2.717 4.686) 5.665 14.767 ( 1.045 -3.781 5.668) 6.893 15.031 ( 2.603 2.241 4.855) 5.947 15.088 ( -0.362 -3.135 5.824) 6.624 15.198 ( 0.867 2.154 3.666) 4.340 15.258 ( -3.656 -3.280 3.970) 6.316 15.834 ( 0.084 11.150 -0.559) 11.165 16.043 ( 0.211 -6.664 2.235) 7.032 16.962 ( -0.840 15.712 1.210) 15.781 17.143 ( -1.096 4.220 14.905) 15.530 17.412 ( -0.927 10.969 -7.989) 13.602 17.725 ( -1.172 -15.025 0.488) 15.078 18.213 ( 3.005 -2.192 -7.328) 8.218 18.269 ( -1.098 -5.933 -7.698) 9.781 18.437 ( -0.691 6.179 4.445) 7.643 18.680 ( 2.554 -15.016 2.861) 15.499 18.880 ( 0.338 5.390 1.353) 5.567 18.978 ( -0.191 -3.911 7.199) 8.195 19.673 ( -6.002 5.219 -15.529) 17.447 19.718 ( -2.292 0.420 -7.781) 8.122 21.121 ( 0.505 0.366 0.153) 0.642 21.124 ( 1.483 0.282 -0.426) 1.569 21.198 ( -0.731 -0.447 -2.382) 2.531 21.204 ( 2.961 -0.751 -2.751) 4.111 27.557 ( 0.498 5.277 1.129) 5.419 27.642 ( 1.143 -1.515 -0.378) 1.935 27.697 ( -1.894 1.743 0.916) 2.732 27.774 ( 0.067 -3.980 -0.503) 4.012 36.785 ( 0.304 15.058 5.340) 15.980 37.105 ( 0.262 -13.158 4.360) 13.864 37.851 ( -1.655 19.509 -12.479) 23.218 38.263 ( 0.025 -18.764 -6.130) 19.740 40.087 ( 0.597 13.071 8.561) 15.636 40.258 ( 3.735 -2.033 8.069) 9.121 40.550 ( 5.354 -4.347 5.078) 8.564 40.648 ( -1.917 -11.235 -0.659) 11.416 ======================= Grid point 118 (61/150) ======================= q-point: ( 0.06 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 26.209 23.918 20.800) 41.129 2.612 ( 16.963 -1.190 14.963) 22.651 2.825 ( 13.278 18.630 18.155) 29.206 3.572 ( 4.938 -26.094 16.829) 31.441 3.944 ( 14.269 4.448 -12.887) 19.735 4.061 ( 15.787 0.565 -0.177) 15.798 4.322 ( 10.970 38.851 32.556) 51.862 4.718 ( 17.212 13.045 -2.548) 21.747 4.954 ( 15.360 -7.687 -4.121) 17.663 5.153 ( -1.112 -14.132 -1.045) 14.214 5.471 ( 6.835 6.662 -10.993) 14.559 5.652 ( 6.651 -11.204 -8.217) 15.404 5.794 ( -0.454 -11.085 -3.068) 11.511 5.883 ( 3.338 -24.996 8.738) 26.689 6.604 ( 9.667 7.900 7.427) 14.526 6.830 ( 6.228 -9.335 5.171) 12.356 6.977 ( 8.444 -1.350 6.668) 10.843 7.048 ( 4.998 -3.697 0.236) 6.221 7.471 ( 5.580 1.550 5.645) 8.087 7.513 ( 4.722 -2.320 2.825) 5.971 7.840 ( 6.731 3.522 -4.442) 8.800 7.930 ( 7.266 -3.886 -7.807) 11.352 8.472 ( 0.520 9.366 -16.743) 19.192 8.601 ( -1.033 -2.000 -9.919) 10.171 9.340 ( -3.530 7.216 -0.031) 8.033 9.528 ( -5.929 -8.798 -3.346) 11.124 10.115 ( -0.957 22.510 -2.887) 22.715 10.444 ( -5.625 -5.628 -5.862) 9.883 10.840 ( -9.882 5.308 8.654) 14.167 10.959 ( -10.525 -3.976 3.244) 11.709 11.278 ( -8.539 -1.463 -11.168) 14.134 11.327 ( -3.690 -4.373 -7.105) 9.122 11.497 ( 2.968 0.011 -7.511) 8.076 11.576 ( 6.909 -6.103 -6.171) 11.093 12.134 ( 17.939 2.269 -7.501) 19.576 12.242 ( 21.779 -6.661 -8.859) 24.437 12.537 ( -8.509 6.552 11.546) 15.768 12.705 ( -4.061 -5.242 15.079) 16.473 12.835 ( -3.402 2.789 -3.701) 5.748 12.976 ( -1.435 -7.957 4.724) 9.364 13.321 ( -0.501 7.650 1.426) 7.798 13.478 ( 2.508 -6.826 4.219) 8.407 13.710 ( 4.207 12.338 2.287) 13.235 13.980 ( 2.345 -8.162 2.312) 8.802 14.190 ( 5.144 3.343 0.285) 6.142 14.273 ( 13.542 -3.421 2.094) 14.124 14.348 ( -5.364 -3.015 -2.335) 6.582 14.391 ( -0.476 -2.121 -2.354) 3.204 14.787 ( 3.139 1.769 5.989) 6.989 14.803 ( -2.841 -0.329 4.745) 5.540 14.993 ( -3.434 -1.382 6.650) 7.611 15.034 ( 0.837 -3.436 9.825) 10.442 15.336 ( 6.320 1.749 0.219) 6.561 15.366 ( 8.742 -0.579 -0.195) 8.763 15.869 ( 3.845 9.479 0.496) 10.241 16.070 ( 1.817 -7.273 1.503) 7.646 16.921 ( -3.524 15.748 0.436) 16.144 17.115 ( -7.269 4.140 14.639) 16.860 17.317 ( -5.262 10.338 -8.567) 14.421 17.654 ( -6.192 -16.603 0.357) 17.724 18.170 ( -4.486 -0.509 -7.859) 9.063 18.205 ( -1.142 -4.937 -4.899) 7.048 18.431 ( -2.358 7.265 5.856) 9.624 18.667 ( -4.937 -12.508 4.760) 14.265 18.905 ( 1.353 5.518 -4.053) 6.979 19.008 ( 0.392 -4.374 6.485) 7.832 19.242 ( -23.047 16.388 -7.826) 29.343 19.515 ( -14.448 -8.507 -7.621) 18.417 21.195 ( 7.738 1.391 0.151) 7.864 21.232 ( 9.097 -1.742 0.622) 9.283 21.362 ( 15.285 4.581 -3.748) 16.391 21.513 ( 23.076 -9.457 -7.673) 26.092 27.536 ( -2.929 4.802 1.586) 5.844 27.625 ( -3.572 -3.019 1.247) 4.840 27.662 ( -1.083 3.721 -1.218) 4.062 27.751 ( -2.160 -3.884 -0.635) 4.489 36.793 ( -1.802 14.429 6.114) 15.774 37.097 ( -2.941 -12.369 4.775) 13.581 37.745 ( -4.664 21.886 -11.174) 25.012 38.195 ( -4.173 -19.552 -8.537) 21.739 39.999 ( -12.872 13.101 9.287) 20.581 40.177 ( -14.794 -2.254 9.647) 17.804 40.378 ( -22.506 -2.823 10.026) 24.800 40.486 ( -13.461 -11.205 -2.373) 17.675 ======================= Grid point 119 (62/150) ======================= q-point: ( 0.12 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 21.841 24.280 23.882) 40.458 2.986 ( 19.252 25.048 11.856) 33.743 3.295 ( 25.394 -12.762 16.206) 32.717 3.759 ( 8.906 -24.680 12.453) 29.043 4.265 ( 21.363 6.505 -6.485) 23.254 4.432 ( 21.074 -7.226 -5.554) 22.961 4.753 ( 21.537 29.580 29.123) 46.766 5.138 ( 16.767 2.014 -12.676) 21.115 5.197 ( 16.550 7.786 6.412) 19.381 5.334 ( 22.224 -4.143 -8.910) 24.300 5.630 ( 14.497 5.802 -7.894) 17.497 5.728 ( 6.866 -10.170 -15.511) 19.778 5.873 ( 11.258 -9.968 2.692) 15.275 6.101 ( 12.355 -29.196 20.298) 37.644 6.856 ( 13.253 6.263 4.450) 15.319 6.997 ( 7.042 -3.804 8.686) 11.811 7.130 ( 4.141 0.708 -1.991) 4.649 7.186 ( 10.670 -8.073 -1.302) 13.443 7.627 ( 9.737 3.540 6.635) 12.304 7.716 ( 13.540 -4.525 7.225) 16.000 8.034 ( 15.390 6.044 -9.085) 18.866 8.141 ( 16.994 -3.616 -7.663) 18.990 8.480 ( 6.687 8.945 -12.075) 16.448 8.580 ( 3.197 0.105 -9.299) 9.833 9.272 ( -3.136 2.441 -0.875) 4.069 9.386 ( -7.108 -7.248 -3.777) 10.831 10.063 ( -3.732 18.234 -2.738) 18.813 10.292 ( -7.541 -2.561 -5.594) 9.733 10.617 ( -14.463 5.712 9.602) 18.276 10.735 ( -12.879 -2.971 7.521) 15.207 11.040 ( -8.442 -2.558 -16.488) 18.699 11.124 ( -8.034 -9.735 -15.343) 19.868 11.685 ( 11.783 3.034 -0.105) 12.168 11.772 ( 9.688 -4.632 1.720) 10.876 12.317 ( -0.992 6.555 -0.768) 6.674 12.501 ( 9.564 2.154 -1.649) 9.941 12.522 ( 3.665 -3.508 -3.159) 5.977 12.726 ( 6.069 -9.623 -3.860) 12.014 12.839 ( 4.893 5.649 -0.682) 7.504 12.987 ( 2.161 -6.625 1.338) 7.096 13.316 ( -0.726 9.457 3.152) 9.995 13.529 ( 0.828 -9.611 4.460) 10.628 13.776 ( 1.013 11.298 -2.052) 11.528 13.972 ( -4.314 -4.326 2.431) 6.575 14.143 ( -4.154 3.550 1.143) 5.582 14.294 ( 0.665 -10.229 0.402) 10.259 14.537 ( 9.992 1.377 1.891) 10.262 14.568 ( 12.013 -1.248 2.309) 12.296 14.710 ( -6.704 2.802 7.320) 10.314 14.809 ( 1.014 -3.189 6.540) 7.346 15.077 ( 5.956 -0.652 7.718) 9.771 15.145 ( 4.498 -4.269 12.303) 13.777 15.410 ( 2.280 6.162 -6.518) 9.254 15.488 ( 4.419 -0.710 -3.154) 5.475 15.979 ( 6.328 5.329 -0.076) 8.273 16.126 ( 3.968 -6.788 1.137) 7.945 16.845 ( -3.885 13.024 -0.583) 13.604 16.986 ( -10.322 5.731 9.681) 15.268 17.172 ( -5.916 8.020 -6.686) 12.001 17.493 ( -9.840 -16.489 -0.597) 19.211 18.068 ( -3.239 4.355 -3.317) 6.361 18.163 ( -1.742 -5.937 -1.565) 6.383 18.389 ( -3.983 5.659 6.010) 9.165 18.548 ( -8.363 -7.367 0.658) 11.165 18.776 ( -11.194 15.940 -7.442) 20.851 18.945 ( -5.982 0.544 -1.821) 6.276 19.048 ( -0.180 -0.366 5.482) 5.497 19.230 ( -10.657 -11.503 -1.107) 15.720 21.411 ( 13.576 2.197 1.364) 13.820 21.472 ( 14.539 -3.193 2.220) 15.050 21.655 ( 15.455 7.777 -5.357) 18.112 21.880 ( 17.382 -12.769 -11.060) 24.239 27.471 ( -4.038 4.027 1.759) 5.968 27.541 ( -5.068 -1.427 1.336) 5.432 27.627 ( -2.091 1.824 -1.809) 3.312 27.689 ( -3.770 -2.945 -1.007) 4.889 36.757 ( -4.188 12.778 5.993) 14.722 37.025 ( -6.196 -10.690 4.462) 13.137 37.592 ( -7.221 22.455 -8.950) 25.228 38.043 ( -7.851 -18.582 -10.168) 22.590 39.656 ( -26.754 8.709 16.200) 32.466 39.799 ( -26.777 -4.628 12.754) 30.018 39.941 ( -22.751 6.303 4.907) 24.113 40.145 ( -19.888 -10.946 -4.706) 23.184 ======================= Grid point 120 (63/150) ======================= q-point: ( 0.19 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 14.316 29.972 20.249) 38.901 3.462 ( 21.151 12.028 17.390) 29.907 3.818 ( 20.893 -15.849 16.287) 30.871 4.020 ( 14.384 -17.885 8.233) 24.383 4.663 ( 20.194 3.365 -1.983) 20.569 4.773 ( 16.305 -6.084 -6.473) 18.568 5.245 ( 16.035 9.935 -4.933) 19.498 5.353 ( 21.489 5.402 -6.646) 23.133 5.605 ( 14.657 3.853 -11.057) 18.760 5.751 ( 24.508 1.972 -0.504) 24.592 5.892 ( 18.792 7.897 3.715) 20.720 6.084 ( 29.059 -4.178 1.056) 29.377 6.209 ( 21.637 -6.668 1.009) 22.663 6.484 ( 18.345 -23.744 20.869) 36.549 7.074 ( 5.932 -1.248 -4.098) 7.317 7.101 ( 1.958 -2.255 1.941) 3.562 7.250 ( 13.761 7.277 -0.398) 15.572 7.447 ( 17.821 -10.779 -2.526) 20.980 7.916 ( 16.003 7.103 11.086) 20.723 8.059 ( 17.592 -5.697 10.304) 21.168 8.330 ( 18.043 9.478 -8.705) 22.163 8.474 ( 17.745 -3.953 -7.647) 19.722 8.637 ( 11.349 8.084 -6.370) 15.321 8.693 ( 13.523 2.226 -7.144) 15.455 9.216 ( -2.683 -3.670 -3.920) 6.003 9.234 ( -6.021 -5.611 -1.883) 8.443 9.942 ( -6.936 12.785 -5.291) 15.478 10.114 ( -8.853 -3.070 -5.881) 11.062 10.414 ( -9.517 6.607 8.278) 14.239 10.524 ( -11.721 -2.610 4.917) 12.976 10.856 ( -4.529 -2.191 -11.261) 12.334 10.947 ( -4.581 -8.916 -12.021) 15.652 11.873 ( 5.200 2.404 6.555) 8.705 11.915 ( 4.049 -0.995 7.130) 8.259 12.299 ( 0.983 8.238 -2.122) 8.564 12.528 ( 0.469 -7.195 -5.340) 8.973 12.645 ( 6.379 2.875 -5.107) 8.663 12.809 ( 3.214 -7.504 -6.590) 10.491 12.979 ( 9.767 4.571 -3.898) 11.467 13.081 ( 6.140 -3.571 -3.323) 7.842 13.330 ( 1.737 8.103 1.749) 8.469 13.549 ( 0.414 -9.909 1.829) 10.085 13.715 ( -4.779 6.809 -3.822) 9.155 13.844 ( -7.845 -4.598 -0.802) 9.129 14.163 ( 3.182 5.402 5.936) 8.634 14.338 ( 1.900 -9.157 3.911) 10.137 14.579 ( -4.298 1.504 8.114) 9.304 14.597 ( -6.241 0.818 6.259) 8.877 14.800 ( 8.548 5.229 2.581) 10.348 14.958 ( 9.082 -6.091 2.443) 11.205 15.187 ( 0.300 2.562 8.752) 9.124 15.253 ( 2.365 -1.370 9.174) 9.572 15.423 ( 3.175 3.070 -5.839) 7.321 15.516 ( 0.363 -3.415 -4.951) 6.026 16.067 ( 2.972 8.158 0.245) 8.686 16.247 ( 7.400 -8.548 0.798) 11.334 16.760 ( -5.663 8.473 -1.260) 10.269 16.807 ( -8.413 6.139 -2.374) 10.682 17.077 ( -1.534 5.655 -2.369) 6.321 17.315 ( -6.485 -12.808 -2.699) 14.607 18.024 ( -1.410 5.166 1.468) 5.552 18.125 ( -2.686 -4.785 2.404) 5.991 18.334 ( -3.735 3.213 4.375) 6.588 18.370 ( -7.163 0.933 -6.401) 9.652 18.602 ( -6.616 4.884 3.736) 9.032 18.768 ( -9.855 -6.338 -4.032) 12.392 19.057 ( -0.528 1.403 2.859) 3.228 19.131 ( -1.682 -4.770 2.222) 5.524 21.701 ( 14.975 2.868 2.639) 15.474 21.781 ( 15.501 -4.045 3.609) 16.422 21.902 ( 12.185 7.536 -5.534) 15.359 22.105 ( 10.550 -10.677 -10.415) 18.269 27.402 ( -3.619 2.918 1.672) 4.941 27.449 ( -4.700 -0.673 1.083) 4.870 27.571 ( -2.804 0.697 -1.906) 3.461 27.605 ( -4.228 -1.831 -1.444) 4.828 36.678 ( -6.014 10.471 5.344) 13.205 36.896 ( -8.455 -8.499 3.978) 12.631 37.405 ( -8.991 20.953 -6.412) 23.685 37.823 ( -10.602 -16.596 -10.695) 22.410 39.170 ( -28.347 6.280 19.026) 34.713 39.308 ( -27.876 -6.038 13.220) 31.438 39.526 ( -21.645 6.925 -0.016) 22.726 39.704 ( -22.586 -8.557 -7.754) 25.367 ======================= Grid point 121 (64/150) ======================= q-point: ( 0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( 14.300 26.079 17.379) 34.447 3.861 ( 13.045 -1.065 18.224) 22.437 4.218 ( 15.553 -9.295 14.223) 23.034 4.358 ( 15.727 -11.633 9.725) 21.846 5.008 ( 15.666 -0.332 0.172) 15.670 5.036 ( 14.164 -3.173 -7.839) 16.497 5.448 ( 12.710 9.989 -19.868) 25.614 5.690 ( 15.105 -10.190 -17.455) 25.233 5.880 ( 15.948 11.509 -3.337) 19.948 6.107 ( 16.087 -5.969 1.712) 17.244 6.422 ( 24.314 14.423 11.665) 30.582 6.621 ( 18.476 -1.540 -3.527) 18.872 6.701 ( 31.391 -3.582 7.564) 32.488 6.886 ( 17.061 -10.004 0.172) 19.778 7.154 ( 6.473 -2.202 -0.692) 6.872 7.229 ( 15.977 -9.704 2.557) 18.867 7.623 ( 22.471 10.322 2.394) 24.844 7.850 ( 23.884 -10.300 -0.359) 26.012 8.289 ( 17.064 8.695 12.799) 23.034 8.434 ( 16.715 -4.127 8.321) 19.122 8.656 ( 17.016 7.473 -2.191) 18.713 8.698 ( 6.944 4.767 -2.704) 8.846 8.842 ( 12.574 4.532 -3.958) 13.939 8.985 ( 10.832 -7.000 -5.990) 14.221 9.106 ( 1.655 0.639 -4.705) 5.029 9.236 ( 4.410 -8.056 -4.253) 10.122 9.778 ( -7.340 7.936 -7.383) 13.090 9.912 ( -9.051 -3.641 -7.161) 12.102 10.269 ( -8.884 3.893 3.327) 10.255 10.354 ( -6.005 -1.554 4.541) 7.687 10.789 ( 0.387 -1.139 -5.504) 5.634 10.866 ( -0.528 -6.050 -5.357) 8.099 11.941 ( 0.062 3.599 10.169) 10.788 11.997 ( 0.340 -1.714 10.410) 10.556 12.310 ( 1.060 8.724 -6.865) 11.151 12.517 ( 0.493 -4.140 -4.623) 6.225 12.714 ( 3.384 2.128 -9.109) 9.948 12.861 ( 5.138 -7.173 -5.706) 10.508 13.116 ( 3.632 3.036 -2.872) 5.537 13.171 ( 5.191 -1.017 -1.872) 5.611 13.404 ( 5.940 5.172 -2.803) 8.360 13.576 ( 2.791 -8.930 -2.940) 9.808 13.610 ( -3.932 4.168 -3.023) 6.479 13.703 ( -5.889 -3.913 -1.426) 7.212 14.246 ( 1.897 4.067 9.229) 10.263 14.366 ( -1.455 -6.133 5.786) 8.556 14.490 ( -6.127 3.395 4.896) 8.546 14.520 ( -4.784 0.044 7.723) 9.085 14.921 ( 3.044 5.316 0.824) 6.181 15.064 ( -0.109 -5.153 0.870) 5.227 15.170 ( -1.759 6.733 3.820) 7.939 15.303 ( -1.235 -2.439 5.393) 6.046 15.476 ( 1.202 -2.486 0.849) 2.889 15.503 ( 1.400 -2.621 -0.780) 3.072 16.122 ( 2.014 12.178 4.480) 13.131 16.372 ( 4.011 -10.543 0.484) 11.291 16.619 ( -3.934 5.435 -9.071) 11.283 16.682 ( -2.079 0.401 -12.228) 12.410 17.092 ( 2.901 5.576 -0.325) 6.294 17.251 ( 0.613 -7.737 -3.508) 8.518 18.004 ( -1.928 2.974 3.094) 4.705 18.061 ( -4.972 -1.649 2.929) 6.001 18.244 ( -2.048 3.720 -6.008) 7.358 18.304 ( -2.373 -0.368 5.101) 5.638 18.522 ( -3.793 -0.661 6.645) 7.680 18.590 ( -7.206 -6.250 0.083) 9.540 19.050 ( -0.974 3.622 1.345) 3.984 19.121 ( -0.537 -2.584 0.840) 2.770 21.984 ( 12.601 3.356 2.431) 13.265 22.068 ( 12.073 -1.821 0.816) 12.237 22.094 ( 9.972 2.952 -1.294) 10.480 22.231 ( 6.495 -7.100 -7.638) 12.285 27.347 ( -2.642 1.754 1.554) 3.532 27.372 ( -3.586 -0.115 0.848) 3.687 27.510 ( -2.802 -0.030 -1.752) 3.305 27.523 ( -3.486 -0.901 -1.755) 4.006 36.572 ( -6.594 8.086 4.602) 11.404 36.739 ( -9.007 -6.178 3.894) 11.595 37.203 ( -9.665 17.656 -4.301) 20.582 37.563 ( -12.054 -14.269 -9.947) 21.162 38.730 ( -23.664 4.425 15.653) 28.716 38.842 ( -24.827 -5.581 11.926) 28.103 39.108 ( -20.741 5.351 -1.743) 21.490 39.242 ( -21.203 -6.258 -9.409) 24.026 ======================= Grid point 122 (65/150) ======================= q-point: ( 0.31 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( 12.713 19.254 14.672) 27.342 4.119 ( 7.986 -6.985 14.137) 17.676 4.534 ( 11.854 -1.420 12.775) 17.485 4.673 ( 13.428 -9.416 8.617) 18.527 5.252 ( 9.750 1.063 -1.155) 9.876 5.283 ( 12.966 -2.171 -2.323) 13.350 5.604 ( 11.481 9.076 -21.497) 26.006 5.855 ( 9.720 -12.425 -20.413) 25.799 6.124 ( 8.156 11.443 4.533) 14.766 6.353 ( 6.619 -7.003 6.454) 11.597 6.806 ( 13.051 7.424 -0.600) 15.027 6.891 ( 15.661 -0.867 -7.473) 17.375 7.183 ( 16.937 -3.301 -9.038) 19.479 7.224 ( 19.942 -5.240 0.945) 20.641 7.506 ( 26.867 5.647 9.745) 29.132 7.687 ( 25.971 -9.425 5.101) 28.095 8.088 ( 23.207 12.179 2.465) 26.324 8.323 ( 23.101 -8.181 0.762) 24.519 8.614 ( 7.507 7.591 8.738) 13.797 8.722 ( 9.912 3.894 3.571) 11.232 8.770 ( 4.616 -1.104 6.370) 7.943 8.864 ( 1.424 -4.777 0.171) 4.988 9.039 ( 12.734 3.520 -0.000) 13.212 9.131 ( 14.220 0.314 1.480) 14.300 9.281 ( 8.074 -3.064 -7.080) 11.167 9.349 ( 8.846 -4.393 -6.547) 11.849 9.599 ( -8.247 3.898 -7.638) 11.897 9.725 ( -7.056 -5.908 -8.293) 12.388 10.149 ( -3.247 7.249 1.601) 8.103 10.309 ( -0.724 -5.616 2.489) 6.186 10.796 ( 0.925 2.150 -1.653) 2.865 10.883 ( 2.887 -4.819 0.013) 5.617 11.965 ( -1.310 1.710 7.978) 8.264 12.002 ( -3.398 -1.771 9.734) 10.461 12.295 ( 1.040 10.114 -7.498) 12.633 12.509 ( 0.257 -6.409 -4.417) 7.788 12.740 ( 2.706 6.880 -7.291) 10.384 12.922 ( 2.758 -7.259 -6.757) 10.294 13.136 ( 0.263 5.011 -0.922) 5.102 13.248 ( 3.423 -4.617 -0.839) 5.808 13.505 ( 2.467 2.918 -0.711) 3.886 13.572 ( 1.259 -2.250 0.606) 2.649 13.601 ( 0.807 -0.654 -6.149) 6.236 13.650 ( 4.262 -3.896 -8.075) 9.927 14.298 ( -1.154 2.324 12.288) 12.559 14.324 ( -4.644 0.689 7.956) 9.238 14.405 ( -3.691 3.005 1.666) 5.043 14.466 ( -2.999 -2.208 5.813) 6.904 14.888 ( -6.097 5.639 -2.205) 8.593 15.032 ( -2.641 -5.605 -3.146) 6.949 15.130 ( -3.472 5.122 4.360) 7.570 15.252 ( -4.980 -2.117 4.787) 7.225 15.493 ( -0.151 -0.089 4.481) 4.485 15.542 ( 0.632 -3.566 5.864) 6.893 16.178 ( 2.259 10.870 4.002) 11.801 16.384 ( -0.740 -6.508 -2.242) 6.923 16.598 ( 5.433 0.943 -16.627) 17.517 16.660 ( 5.120 -3.995 -15.101) 16.438 17.160 ( 3.704 5.430 0.098) 6.574 17.281 ( 2.972 -4.823 -3.009) 6.414 17.968 ( -2.689 0.206 2.611) 3.754 17.975 ( -4.067 0.216 1.195) 4.245 18.215 ( -0.674 3.374 -0.562) 3.486 18.277 ( -2.821 -0.856 6.210) 6.874 18.496 ( -3.649 -3.441 4.785) 6.931 18.500 ( -0.949 -2.964 5.103) 5.977 19.031 ( -1.268 4.835 0.227) 5.003 19.109 ( -0.842 -2.175 -0.539) 2.394 22.178 ( 7.116 3.281 -1.498) 7.978 22.245 ( 7.897 1.449 -1.160) 8.112 22.274 ( 6.315 -2.452 -0.194) 6.777 22.336 ( 6.985 -3.704 -0.008) 7.907 27.311 ( -1.682 0.724 1.262) 2.224 27.318 ( -2.257 0.195 0.841) 2.417 27.449 ( -2.539 0.428 -1.813) 3.149 27.465 ( -1.957 -0.962 -1.373) 2.577 36.465 ( -6.029 6.166 3.864) 9.450 36.590 ( -7.735 -4.483 4.486) 10.002 37.008 ( -8.827 13.443 -3.026) 16.365 37.295 ( -11.961 -11.738 -8.306) 18.704 38.369 ( -18.607 2.943 10.146) 21.397 38.444 ( -20.122 -3.696 8.199) 22.040 38.730 ( -17.341 4.316 -1.398) 17.925 38.838 ( -16.669 -5.102 -8.282) 19.300 ======================= Grid point 123 (66/150) ======================= q-point: ( 0.38 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.037 ( 8.053 12.030 9.765) 17.463 4.281 ( 3.743 -8.162 10.776) 14.026 4.777 ( 9.610 4.505 8.054) 13.323 4.946 ( 11.877 -8.369 6.507) 15.920 5.387 ( 4.994 7.006 -1.103) 8.674 5.486 ( 7.013 -1.934 2.732) 7.771 5.733 ( 8.623 5.363 -15.160) 18.246 5.928 ( 5.958 -12.226 -19.650) 23.897 6.233 ( 2.161 8.806 7.538) 11.792 6.438 ( 0.953 -8.257 7.613) 11.271 7.026 ( 12.203 7.784 -7.172) 16.154 7.158 ( 13.742 -4.062 -9.699) 17.303 7.481 ( 15.763 3.513 -1.208) 16.194 7.604 ( 18.933 -6.023 1.958) 19.964 8.016 ( 20.409 5.778 2.998) 21.422 8.166 ( 20.507 -5.878 -0.545) 21.340 8.494 ( 17.447 12.115 1.484) 21.293 8.626 ( -1.577 3.509 2.859) 4.793 8.673 ( 7.946 -2.422 1.884) 8.518 8.750 ( -0.047 -7.920 0.954) 7.978 8.958 ( 7.802 2.671 5.596) 9.966 9.015 ( 7.674 -2.296 5.448) 9.687 9.243 ( 5.630 9.388 -2.526) 11.234 9.376 ( 1.780 -3.578 2.733) 4.841 9.384 ( 6.212 -3.154 0.680) 7.000 9.444 ( 2.526 2.046 -4.051) 5.194 9.503 ( 10.011 -4.736 -6.538) 12.861 9.606 ( -0.913 -6.389 -5.656) 8.582 10.151 ( 2.389 7.044 -0.104) 7.439 10.322 ( 0.869 -8.068 0.904) 8.165 10.808 ( 0.406 6.596 1.033) 6.689 10.939 ( 1.726 -4.827 0.631) 5.165 11.937 ( -4.039 0.201 5.417) 6.760 11.953 ( -3.855 -1.151 4.127) 5.763 12.319 ( 3.264 8.034 -2.638) 9.064 12.492 ( -0.254 -6.873 -4.196) 8.056 12.760 ( 1.960 7.493 -5.984) 9.788 12.925 ( 0.953 -6.310 -7.772) 10.056 13.138 ( 0.258 7.148 0.979) 7.220 13.306 ( 2.623 -7.680 0.259) 8.120 13.525 ( 0.777 -0.184 2.104) 2.250 13.552 ( -0.911 -2.676 1.475) 3.188 13.693 ( 6.279 0.505 -7.750) 9.987 13.720 ( 6.187 -1.280 -9.274) 11.221 14.242 ( -5.582 5.514 7.964) 11.180 14.295 ( -4.102 1.426 7.511) 8.676 14.374 ( -0.649 3.412 4.699) 5.843 14.458 ( -0.060 -4.026 5.513) 6.827 14.734 ( -7.295 6.943 -3.285) 10.593 14.909 ( -6.426 -7.317 -6.064) 11.472 15.093 ( -4.545 3.725 6.067) 8.447 15.162 ( -5.300 -0.522 5.517) 7.668 15.499 ( -1.209 0.140 7.087) 7.191 15.568 ( -0.146 -5.055 6.018) 7.861 16.242 ( 3.294 8.366 0.432) 9.001 16.383 ( 2.231 -4.241 -5.266) 7.120 16.668 ( 8.016 0.390 -17.318) 19.087 16.730 ( 7.095 -4.769 -15.300) 17.526 17.224 ( 2.695 4.669 0.150) 5.393 17.326 ( 2.474 -4.058 -1.867) 5.106 17.921 ( -2.027 0.587 1.820) 2.787 17.932 ( -1.999 -0.874 3.186) 3.862 18.194 ( -2.041 2.813 2.791) 4.457 18.240 ( -3.450 -1.116 7.065) 7.941 18.470 ( -1.441 -0.768 5.142) 5.395 18.510 ( -0.077 -3.417 3.621) 4.979 19.006 ( -1.118 5.180 -0.709) 5.347 19.085 ( -1.061 -2.025 -1.600) 2.790 22.277 ( 4.224 1.881 -1.668) 4.915 22.324 ( 2.698 -2.285 -2.341) 4.241 22.399 ( 5.411 2.477 1.085) 6.049 22.459 ( 4.548 -2.823 1.536) 5.569 27.285 ( -1.224 0.529 0.360) 1.381 27.295 ( -0.922 -0.368 1.327) 1.657 27.405 ( -1.364 1.214 -1.567) 2.407 27.432 ( -1.095 -1.190 -0.844) 1.824 36.372 ( -4.845 5.294 3.174) 7.847 36.481 ( -5.359 -4.317 5.441) 8.773 36.851 ( -5.949 9.073 -2.529) 11.140 37.051 ( -10.095 -8.546 -6.411) 14.698 38.084 ( -13.733 2.057 4.478) 14.590 38.128 ( -14.653 -1.824 3.332) 15.137 38.442 ( -11.930 4.238 0.265) 12.663 38.548 ( -10.542 -5.007 -5.270) 12.805 ======================= Grid point 124 (67/150) ======================= q-point: ( 0.44 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.158 ( 1.987 6.020 3.455) 7.220 4.331 ( -2.173 -8.549 6.826) 11.153 4.965 ( 7.008 8.498 3.355) 11.514 5.166 ( 7.930 -7.565 3.495) 11.503 5.454 ( 2.137 8.931 1.349) 9.282 5.554 ( -1.081 1.136 5.784) 5.993 5.824 ( 5.648 3.514 -6.542) 9.330 5.962 ( 4.805 -10.663 -14.573) 18.686 6.315 ( 3.746 4.652 7.340) 9.463 6.483 ( 0.658 -8.447 9.543) 12.761 7.204 ( 8.421 8.045 -7.510) 13.858 7.328 ( 7.807 -3.554 -12.142) 14.867 7.752 ( 10.725 7.605 4.173) 13.794 7.950 ( 14.855 -8.695 3.479) 17.561 8.272 ( 6.838 6.931 -6.377) 11.639 8.416 ( 6.240 -0.484 -4.462) 7.686 8.615 ( -6.744 -4.085 1.054) 7.955 8.627 ( 0.915 -3.464 2.065) 4.135 8.764 ( 9.000 9.309 1.818) 13.076 8.872 ( 4.504 -0.296 -1.057) 4.636 9.015 ( -0.794 2.463 2.248) 3.428 9.099 ( -0.280 -5.439 4.029) 6.775 9.297 ( 0.845 -0.083 -3.300) 3.407 9.324 ( -0.376 -2.815 -0.352) 2.862 9.484 ( 5.571 5.787 -4.204) 9.067 9.540 ( 4.231 4.994 -3.121) 7.251 9.642 ( 4.796 -3.678 3.734) 7.104 9.756 ( 10.637 -8.664 3.670) 14.202 10.213 ( 3.675 3.302 -0.404) 4.957 10.337 ( 0.251 -7.778 0.898) 7.834 10.814 ( -0.304 7.429 0.622) 7.461 10.930 ( -2.408 -2.682 -1.369) 3.856 11.871 ( -3.909 1.053 2.261) 4.637 11.907 ( -1.794 -2.320 4.348) 5.244 12.375 ( 2.179 4.522 -0.546) 5.049 12.480 ( 0.716 -5.355 -1.504) 5.608 12.782 ( 3.367 5.865 -7.852) 10.363 12.920 ( 1.652 -6.041 -7.476) 9.753 13.156 ( 0.567 8.077 3.535) 8.835 13.350 ( 1.579 -9.226 1.569) 9.491 13.537 ( -0.230 -0.013 0.847) 0.878 13.562 ( 0.586 -2.522 1.709) 3.102 13.763 ( 4.220 1.777 -6.291) 7.781 13.808 ( 5.393 -1.852 -6.450) 8.609 14.170 ( -4.432 5.038 5.326) 8.567 14.211 ( -6.825 2.072 6.568) 9.696 14.405 ( 2.445 2.947 2.348) 4.492 14.491 ( 1.479 -3.117 2.724) 4.395 14.621 ( -3.116 8.102 -1.444) 8.800 14.767 ( -6.979 -3.553 -2.085) 8.104 14.989 ( -6.536 3.091 5.211) 8.912 15.104 ( -2.898 -4.809 2.605) 6.189 15.507 ( -0.798 0.161 8.183) 8.224 15.583 ( -0.538 -5.613 6.061) 8.278 16.294 ( 1.902 7.695 -1.898) 8.150 16.417 ( 2.630 -3.384 -4.610) 6.294 16.762 ( 7.285 0.631 -14.584) 16.314 16.818 ( 8.783 -4.185 -18.363) 20.781 17.264 ( 1.379 3.624 0.672) 3.935 17.360 ( 1.301 -4.548 -0.052) 4.730 17.904 ( -1.173 0.358 3.654) 3.855 17.913 ( -1.252 -0.544 3.598) 3.848 18.161 ( -2.542 2.457 4.925) 6.063 18.200 ( -3.391 -1.240 7.357) 8.195 18.458 ( -1.745 1.158 3.627) 4.188 18.515 ( -0.397 -3.354 1.315) 3.625 18.984 ( -0.693 5.086 -1.598) 5.376 19.062 ( -0.451 -1.986 -1.986) 2.844 22.338 ( 2.644 0.791 -0.470) 2.800 22.359 ( 1.570 -1.103 -0.544) 1.994 22.474 ( 2.127 1.937 0.075) 2.878 22.519 ( 1.411 -2.070 0.169) 2.511 27.269 ( -0.525 0.523 0.219) 0.773 27.285 ( -0.533 -0.876 0.857) 1.336 27.385 ( -0.218 1.578 -0.931) 1.845 27.415 ( -0.406 -1.130 -0.430) 1.275 36.307 ( -2.866 4.912 2.938) 6.401 36.415 ( -3.841 -4.764 5.413) 8.169 36.775 ( -0.754 4.352 -2.112) 4.896 36.870 ( -6.092 -4.188 -4.472) 8.640 37.873 ( -8.799 1.666 0.046) 8.955 37.905 ( -8.947 -1.039 -0.354) 9.014 38.276 ( -5.539 4.993 1.498) 7.606 38.395 ( -3.890 -5.443 -2.317) 7.080 ======================= Grid point 125 (68/150) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.150 ( -3.028 0.852 -0.629) 3.208 4.247 ( -8.009 -7.252 2.587) 11.110 5.036 ( -1.180 8.280 0.487) 8.378 5.212 ( -4.885 -6.070 -0.075) 7.792 5.458 ( -2.147 9.698 1.289) 10.017 5.581 ( 2.762 0.596 8.080) 8.560 5.944 ( 8.071 2.552 1.090) 8.535 6.025 ( 5.903 -6.310 -6.458) 10.787 6.405 ( 1.938 1.228 5.813) 6.249 6.525 ( -0.523 -7.252 10.135) 12.473 7.285 ( 2.806 6.781 -7.338) 10.378 7.371 ( 1.275 -1.779 -10.459) 10.685 7.893 ( 0.586 10.174 8.240) 13.105 8.143 ( 0.916 -10.345 3.160) 10.856 8.299 ( 2.249 6.673 -9.070) 11.483 8.391 ( -7.476 9.201 -9.152) 14.977 8.488 ( -4.048 -5.010 -3.172) 7.180 8.620 ( -2.550 -10.398 -1.952) 10.883 8.821 ( -4.356 4.572 2.944) 6.967 8.892 ( -0.032 -0.016 -0.630) 0.631 9.010 ( 0.158 6.966 4.541) 8.317 9.148 ( 3.417 -2.794 0.559) 4.449 9.254 ( -4.846 -1.479 -2.222) 5.533 9.321 ( 0.452 -6.938 -1.146) 7.047 9.550 ( 2.781 3.319 -6.809) 8.069 9.594 ( 2.105 0.250 -3.652) 4.222 9.728 ( 1.601 4.290 8.590) 9.735 9.888 ( 0.586 -8.158 6.641) 10.536 10.276 ( 2.688 -0.455 -0.175) 2.732 10.333 ( -1.273 -5.342 0.642) 5.529 10.791 ( -2.190 6.140 -1.005) 6.596 10.875 ( -1.117 -1.127 -2.877) 3.285 11.821 ( -1.833 3.693 2.124) 4.638 11.915 ( 0.372 -4.547 4.367) 6.315 12.386 ( -0.072 6.753 -0.815) 6.803 12.520 ( 2.901 -5.903 1.915) 6.850 12.841 ( 5.859 2.864 -9.053) 11.157 12.934 ( 2.452 -5.448 -6.328) 8.703 13.176 ( -0.320 7.959 4.759) 9.279 13.375 ( -0.010 -9.848 2.551) 10.174 13.527 ( -1.013 1.090 -0.070) 1.490 13.557 ( -1.804 -2.284 0.442) 2.944 13.816 ( 3.264 2.725 -3.901) 5.771 13.880 ( 3.986 -2.550 -3.310) 5.774 14.100 ( -4.576 2.738 3.702) 6.492 14.127 ( -2.916 0.780 5.790) 6.529 14.487 ( 5.465 3.196 -1.353) 6.474 14.510 ( -1.130 2.112 -2.407) 3.396 14.606 ( 1.465 2.882 2.420) 4.038 14.616 ( -6.970 0.929 0.076) 7.032 14.917 ( -2.903 2.507 6.529) 7.572 15.066 ( -1.505 -6.652 -0.184) 6.822 15.524 ( -0.901 0.345 8.613) 8.666 15.593 ( -0.689 -5.273 5.892) 7.937 16.289 ( -1.586 8.406 -3.120) 9.106 16.436 ( 0.667 -4.656 -3.912) 6.118 16.835 ( 5.644 3.252 -13.197) 14.717 16.932 ( 9.837 -5.563 -19.040) 22.142 17.283 ( 0.125 2.539 1.644) 3.027 17.371 ( -0.707 -4.796 2.035) 5.258 17.889 ( -1.779 0.612 4.202) 4.604 17.910 ( -0.803 -1.188 3.485) 3.768 18.139 ( -1.952 2.137 6.948) 7.527 18.168 ( -2.608 -0.901 7.528) 8.018 18.428 ( -2.166 2.933 1.526) 3.953 18.506 ( -0.477 -3.654 -0.731) 3.757 18.967 ( -0.222 5.591 -2.191) 6.009 19.058 ( 0.681 -2.602 -1.746) 3.207 22.378 ( 1.255 0.052 0.580) 1.384 22.382 ( 1.051 -0.309 0.937) 1.442 22.484 ( -0.899 1.579 -0.970) 2.060 22.520 ( -0.994 -1.680 -1.069) 2.226 27.264 ( -0.058 0.431 0.152) 0.460 27.280 ( -0.247 -0.859 0.515) 1.031 27.387 ( 0.643 1.332 -0.359) 1.522 27.412 ( 0.190 -0.838 -0.223) 0.888 36.288 ( -0.196 3.414 3.084) 4.604 36.366 ( -2.922 -3.598 3.802) 5.995 36.776 ( -0.113 2.603 -2.398) 3.542 36.832 ( 5.100 -2.397 -1.021) 5.727 37.745 ( -3.941 1.631 -2.954) 5.188 37.779 ( -3.467 -1.411 -2.620) 4.569 38.240 ( 1.162 6.266 1.875) 6.643 38.380 ( 2.807 -6.145 -0.255) 6.761 ======================= Grid point 126 (69/150) ======================= q-point: (-0.44 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.024 ( -11.107 -1.666 -0.779) 11.258 4.079 ( -7.703 -6.903 -0.208) 10.346 4.925 ( -10.095 4.999 1.935) 11.430 5.012 ( -14.138 -2.203 -1.019) 14.345 5.434 ( -0.787 10.935 0.824) 10.995 5.650 ( 0.744 -6.575 4.698) 8.115 6.109 ( 6.158 1.466 3.465) 7.217 6.133 ( 5.952 0.355 0.077) 5.963 6.403 ( -4.099 0.508 2.121) 4.643 6.517 ( -4.005 -7.284 6.733) 10.697 7.256 ( -2.954 6.586 -6.865) 9.961 7.343 ( -0.101 -0.124 -1.289) 1.299 7.817 ( -11.060 11.792 8.175) 18.117 8.013 ( -13.593 3.781 -2.890) 14.402 8.145 ( -12.033 -0.019 -8.323) 14.631 8.212 ( -12.743 -3.618 -6.948) 14.958 8.404 ( -2.651 1.855 -7.125) 7.825 8.513 ( -7.668 -9.261 -4.395) 12.802 8.740 ( -2.822 6.363 1.466) 7.113 8.863 ( -3.877 -4.379 5.559) 8.069 9.000 ( -5.218 6.663 -2.081) 8.715 9.097 ( -7.257 0.150 -0.447) 7.272 9.206 ( -0.611 -1.523 -0.293) 1.667 9.295 ( -2.175 -9.876 -1.716) 10.257 9.556 ( 0.171 0.884 -5.075) 5.154 9.598 ( 0.248 -1.945 -3.458) 3.975 9.786 ( 1.565 2.004 9.760) 10.085 9.860 ( -4.435 -5.294 8.749) 11.146 10.266 ( -4.052 0.977 0.041) 4.168 10.327 ( 0.911 -4.295 -0.673) 4.441 10.747 ( -1.020 6.920 -1.252) 7.106 10.865 ( 0.515 -3.528 -3.129) 4.744 11.807 ( -0.938 5.598 2.002) 6.019 11.928 ( -0.948 -4.997 2.421) 5.633 12.396 ( 1.602 10.410 0.888) 10.570 12.592 ( 3.403 -6.963 2.665) 8.196 12.934 ( 6.630 0.324 -7.291) 9.860 12.964 ( 2.650 -3.059 -4.779) 6.263 13.177 ( -1.014 7.203 4.112) 8.355 13.364 ( -1.968 -8.738 1.914) 9.159 13.489 ( -4.031 0.304 -1.534) 4.324 13.503 ( -2.192 -0.966 -0.190) 2.403 13.856 ( 1.910 2.616 -2.206) 3.919 13.937 ( 2.654 -4.529 -1.071) 5.358 14.060 ( -0.615 3.652 3.162) 4.870 14.130 ( 0.650 -1.923 4.978) 5.376 14.406 ( -7.059 3.450 -2.295) 8.185 14.465 ( -5.694 -2.386 1.270) 6.303 14.632 ( 7.525 6.728 -2.676) 10.443 14.728 ( 8.940 1.951 1.658) 9.300 14.920 ( 0.534 0.690 5.319) 5.390 15.041 ( -0.832 -5.517 -0.548) 5.607 15.531 ( -1.578 1.081 8.062) 8.286 15.594 ( -1.466 -4.227 4.707) 6.494 16.214 ( -4.702 9.410 -3.388) 11.051 16.407 ( -2.137 -7.659 -4.323) 9.050 16.882 ( 3.810 7.089 -11.823) 14.303 17.042 ( 8.179 -7.268 -17.775) 20.873 17.276 ( -1.553 1.402 1.160) 2.393 17.344 ( -2.975 -4.053 3.816) 6.312 17.872 ( -1.332 0.135 3.040) 3.321 17.897 ( -1.851 -2.226 2.449) 3.792 18.143 ( -0.529 1.566 8.782) 8.936 18.160 ( -1.146 -0.181 8.353) 8.433 18.399 ( -0.853 4.563 0.453) 4.664 18.500 ( 0.513 -4.201 -1.519) 4.497 18.962 ( 0.487 6.352 -2.063) 6.697 19.070 ( 1.041 -3.435 -1.543) 3.907 22.382 ( -1.159 1.023 1.273) 2.002 22.410 ( 0.446 -1.432 1.397) 2.050 22.436 ( -3.123 1.736 -1.394) 3.835 22.476 ( -2.775 -1.776 -1.644) 3.682 27.267 ( 0.304 0.418 0.186) 0.549 27.281 ( 0.239 -0.748 0.587) 0.981 27.405 ( 1.309 0.861 -0.236) 1.585 27.421 ( 0.847 -0.473 -0.208) 0.992 36.322 ( 2.147 0.598 3.548) 4.190 36.340 ( -0.287 -1.036 2.072) 2.335 36.811 ( 4.755 8.717 -0.947) 9.975 36.996 ( 11.311 -7.747 0.544) 13.720 37.697 ( 0.495 2.054 -5.085) 5.506 37.750 ( 1.737 -2.694 -4.394) 5.439 38.333 ( 7.626 7.762 1.873) 11.042 38.499 ( 9.222 -7.039 1.032) 11.647 ======================= Grid point 127 (70/150) ======================= q-point: (-0.38 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.756 ( -15.523 3.450 0.571) 15.912 3.930 ( -8.441 -12.155 0.836) 14.822 4.670 ( -18.182 2.645 2.256) 18.512 4.704 ( -15.314 -0.629 -1.097) 15.366 5.413 ( -2.743 9.965 2.399) 10.610 5.638 ( -3.534 -9.416 4.289) 10.934 6.115 ( -6.901 1.525 -4.142) 8.192 6.205 ( -1.825 -4.231 -5.825) 7.427 6.276 ( -6.823 5.896 3.581) 9.703 6.429 ( -5.853 -6.588 3.232) 9.386 7.175 ( -3.445 12.727 1.678) 13.292 7.377 ( 2.291 -3.451 5.293) 6.721 7.549 ( -21.018 12.849 -6.284) 25.423 7.605 ( -21.780 13.010 4.278) 25.728 7.802 ( -24.226 -4.887 -12.723) 27.797 7.897 ( -14.015 -11.564 3.138) 18.439 8.229 ( -15.606 0.936 -2.314) 15.804 8.294 ( -12.136 -3.481 -6.182) 14.057 8.698 ( -4.344 4.859 -1.192) 6.626 8.755 ( -15.064 0.659 -6.792) 16.537 8.806 ( -6.174 -3.929 5.325) 9.051 8.917 ( -9.325 -6.471 1.256) 11.419 9.177 ( -1.924 2.252 -0.725) 3.049 9.249 ( -2.532 -3.963 -0.670) 4.750 9.497 ( -3.937 2.239 -4.271) 6.225 9.594 ( -0.949 -6.350 -0.030) 6.420 9.816 ( -0.381 2.552 5.237) 5.838 9.894 ( 3.471 -3.563 8.316) 9.690 10.175 ( -4.765 5.865 0.459) 7.571 10.321 ( -1.098 -6.502 -0.332) 6.602 10.761 ( 3.136 5.423 -0.877) 6.326 10.867 ( 1.007 -3.857 -2.116) 4.514 11.781 ( -2.443 4.981 0.864) 5.615 11.885 ( -3.936 -4.029 0.855) 5.698 12.458 ( 3.938 10.700 2.125) 11.598 12.662 ( 2.588 -6.621 2.659) 7.590 12.992 ( 1.103 3.452 -0.700) 3.691 13.032 ( 5.394 -0.065 -4.238) 6.860 13.181 ( 0.417 3.440 0.668) 3.529 13.320 ( -2.411 -5.259 0.332) 5.795 13.385 ( -5.184 1.524 -2.787) 6.079 13.462 ( -1.859 -5.560 -1.776) 6.125 13.874 ( 0.598 3.069 -1.874) 3.646 13.972 ( 1.245 -5.840 -1.318) 6.115 14.068 ( -1.988 4.092 5.054) 6.800 14.133 ( -2.325 -1.065 0.258) 2.571 14.322 ( 0.400 0.794 1.130) 1.438 14.385 ( -2.703 -4.312 4.566) 6.837 14.752 ( 5.405 9.453 -3.172) 11.341 14.938 ( 5.049 7.168 4.528) 9.868 14.955 ( 6.873 -8.360 -1.917) 10.991 15.070 ( 5.370 -4.015 2.251) 7.073 15.520 ( -2.276 1.519 6.137) 6.719 15.566 ( -2.870 -2.520 2.766) 4.715 16.092 ( -6.399 10.052 -2.770) 12.234 16.324 ( -4.472 -10.516 -4.976) 12.464 16.889 ( 0.944 10.428 -9.402) 14.072 17.091 ( 1.509 -6.416 -12.319) 13.972 17.230 ( -2.149 1.074 -4.132) 4.779 17.302 ( -2.409 -5.090 3.533) 6.648 17.859 ( -1.753 -1.558 0.523) 2.403 17.866 ( -0.502 -1.820 1.152) 2.211 18.186 ( 1.454 0.537 9.691) 9.814 18.189 ( 0.671 0.529 9.818) 9.855 18.408 ( 1.601 5.459 0.866) 5.754 18.522 ( 2.328 -4.565 -0.687) 5.171 18.969 ( 0.841 6.452 -1.697) 6.724 19.082 ( 0.708 -3.796 -1.303) 4.075 22.304 ( -6.902 1.655 -1.402) 7.235 22.345 ( -6.115 -1.481 -1.737) 6.527 22.390 ( -2.515 2.285 1.015) 3.547 22.459 ( 0.756 -3.292 1.875) 3.864 27.278 ( 0.726 0.651 0.379) 1.046 27.295 ( 0.962 -0.843 0.788) 1.502 27.436 ( 2.055 0.457 -0.473) 2.157 27.445 ( 1.680 -0.195 -0.284) 1.715 36.352 ( 1.735 2.675 1.992) 3.760 36.418 ( 5.418 -2.952 2.994) 6.858 36.951 ( 9.715 14.786 0.727) 17.707 37.260 ( 15.174 -12.765 1.688) 19.901 37.726 ( 4.834 3.095 -6.568) 8.723 37.812 ( 6.741 -4.688 -6.443) 10.437 38.543 ( 13.217 9.398 1.758) 16.313 38.739 ( 14.894 -8.147 1.772) 17.069 ======================= Grid point 128 (71/150) ======================= q-point: (-0.31 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( -17.001 10.523 3.220) 20.252 3.749 ( -11.598 -14.251 4.136) 18.834 4.275 ( -21.586 2.612 -2.397) 21.875 4.400 ( -16.875 -5.376 2.442) 17.878 5.299 ( -12.113 9.959 3.851) 16.147 5.536 ( -9.859 -10.345 6.707) 15.786 5.865 ( -12.432 4.483 -7.918) 15.406 5.988 ( -11.230 -6.199 -13.978) 18.972 6.203 ( -6.445 5.110 3.509) 8.943 6.318 ( -7.331 -4.413 -0.731) 8.588 6.900 ( -34.478 16.904 -6.918) 39.017 7.116 ( -9.141 12.377 -0.301) 15.390 7.186 ( -30.164 -6.873 -11.290) 32.933 7.332 ( -12.891 6.866 3.573) 15.037 7.469 ( -1.451 -3.779 14.312) 14.873 7.626 ( -14.421 -10.652 9.513) 20.296 7.813 ( -25.921 0.918 2.079) 26.020 7.972 ( -19.185 -7.633 -5.457) 21.357 8.371 ( -19.377 0.044 -6.464) 20.426 8.461 ( -15.193 -4.718 -4.191) 16.451 8.762 ( -1.797 2.813 3.331) 4.716 8.818 ( -4.453 -0.520 2.109) 4.955 9.092 ( -6.975 5.891 -3.341) 9.722 9.190 ( -3.035 -4.401 -1.380) 5.521 9.397 ( -5.162 3.721 -0.470) 6.380 9.539 ( -5.258 -8.397 2.663) 10.259 9.835 ( 1.287 5.153 -2.988) 6.094 9.957 ( 0.557 -3.365 2.039) 3.974 10.116 ( -1.197 7.732 1.601) 7.987 10.315 ( 1.030 -7.293 2.615) 7.816 10.861 ( 7.089 1.888 -0.616) 7.362 10.910 ( 4.673 -1.917 -1.040) 5.157 11.730 ( -2.602 2.657 0.676) 3.780 11.800 ( -4.634 -3.416 1.188) 5.878 12.540 ( 2.981 8.815 1.288) 9.394 12.707 ( 1.081 -4.155 2.888) 5.175 13.001 ( -0.700 7.368 3.278) 8.094 13.073 ( -1.612 -0.786 -3.310) 3.765 13.185 ( 1.410 3.967 -0.879) 4.301 13.277 ( -3.985 -0.266 -5.004) 6.402 13.306 ( -0.508 -2.203 0.672) 2.359 13.418 ( -1.200 -8.761 -4.128) 9.759 13.837 ( -2.748 5.771 -7.483) 9.841 13.964 ( -0.508 -3.711 -2.938) 4.761 14.041 ( -1.312 0.298 6.193) 6.338 14.103 ( -0.936 -3.793 4.984) 6.333 14.355 ( -0.197 0.621 2.724) 2.801 14.407 ( 2.431 -3.682 5.096) 6.740 14.831 ( 3.933 6.581 -1.559) 7.823 14.920 ( -1.096 -0.804 -0.668) 1.514 15.171 ( 7.569 -0.265 1.716) 7.766 15.221 ( 5.269 -4.074 4.324) 7.940 15.510 ( 0.510 2.091 3.557) 4.158 15.535 ( 1.849 0.207 0.353) 1.894 15.957 ( -6.501 10.000 -0.878) 11.960 16.207 ( -5.259 -12.051 -5.162) 14.126 16.855 ( -0.838 10.916 -7.596) 13.326 17.004 ( -6.184 -0.011 -3.192) 6.959 17.173 ( -1.731 0.289 -8.247) 8.432 17.280 ( -0.619 -8.702 -1.387) 8.833 17.831 ( -0.195 0.132 -2.012) 2.026 17.880 ( 1.565 -3.791 -0.958) 4.212 18.249 ( 1.615 1.367 10.546) 10.756 18.273 ( 3.535 -0.962 9.823) 10.484 18.465 ( 3.739 6.032 1.527) 7.259 18.592 ( 5.023 -5.008 1.002) 7.163 18.978 ( 0.684 5.956 -1.457) 6.169 19.087 ( 0.235 -3.775 -0.790) 3.864 22.129 ( -10.372 1.748 -1.768) 10.666 22.179 ( -9.984 -2.577 -2.266) 10.557 22.333 ( -4.336 5.907 1.492) 7.478 22.476 ( -0.104 -6.837 2.133) 7.163 27.299 ( 1.310 1.147 0.585) 1.837 27.325 ( 1.873 -1.094 0.873) 2.338 27.482 ( 2.872 0.184 -0.757) 2.976 27.485 ( 2.706 -0.114 -0.401) 2.738 36.415 ( 3.819 6.312 1.737) 7.579 36.552 ( 7.142 -5.397 2.572) 9.313 37.190 ( 14.084 18.888 3.288) 23.790 37.558 ( 13.365 -12.752 0.292) 18.475 37.858 ( 12.002 1.539 -3.763) 12.672 37.966 ( 12.736 -7.219 -10.216) 17.852 38.847 ( 17.272 11.252 1.633) 20.678 39.079 ( 19.209 -9.548 2.143) 21.558 ======================= Grid point 129 (72/150) ======================= q-point: (-0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( -18.146 17.834 6.208) 26.190 3.497 ( -17.117 -3.846 7.869) 19.227 3.833 ( -22.683 -5.192 -3.801) 23.578 4.071 ( -18.012 -13.731 2.933) 22.838 4.944 ( -23.732 15.301 1.910) 28.302 5.281 ( -18.950 -12.944 6.365) 23.815 5.649 ( -11.847 10.589 1.391) 15.950 5.758 ( -6.365 -0.109 -14.351) 15.700 6.031 ( -11.614 2.160 -0.717) 11.835 6.079 ( -18.526 -3.191 -12.400) 22.520 6.207 ( -28.723 11.143 -1.224) 30.833 6.515 ( -32.128 -13.333 -11.362) 36.593 6.883 ( -14.024 7.367 1.624) 15.925 7.069 ( -18.420 -0.691 -2.605) 18.616 7.243 ( -26.803 3.081 1.486) 27.020 7.297 ( -21.916 -3.393 17.104) 28.007 7.536 ( -9.278 -9.794 2.046) 13.645 7.608 ( -13.609 -10.868 10.272) 20.220 8.038 ( -11.908 6.141 -1.247) 13.456 8.177 ( -12.498 -5.012 0.135) 13.466 8.676 ( -7.804 5.752 0.322) 9.700 8.734 ( -6.463 1.362 1.063) 6.691 8.890 ( -10.997 8.048 -6.314) 15.018 9.055 ( -11.146 -6.725 -4.717) 13.846 9.332 ( -1.294 3.335 3.271) 4.847 9.441 ( -3.992 -5.501 2.938) 7.405 9.863 ( 4.772 4.998 -8.961) 11.316 9.982 ( 3.378 -3.154 -2.629) 5.317 10.117 ( 0.012 11.530 1.958) 11.695 10.380 ( 3.662 -8.494 4.024) 10.087 11.007 ( 8.329 0.577 -0.279) 8.354 11.057 ( 11.005 -2.651 -3.317) 11.795 11.696 ( -1.681 0.239 2.049) 2.661 11.732 ( -2.978 -3.125 2.930) 5.217 12.551 ( -2.701 8.045 0.237) 8.490 12.726 ( -0.682 -3.792 2.210) 4.442 12.941 ( -6.976 3.663 -0.519) 7.896 13.008 ( -2.521 0.214 -1.379) 2.881 13.150 ( -6.610 5.628 -8.985) 12.494 13.218 ( 0.178 5.913 4.412) 7.380 13.295 ( 1.533 -2.382 -0.995) 3.002 13.402 ( -0.534 -10.914 -1.746) 11.066 13.776 ( 0.784 6.931 -10.114) 12.286 13.953 ( 1.439 -7.668 -7.779) 11.017 14.053 ( -1.217 1.083 11.912) 12.023 14.125 ( -0.838 -6.595 8.201) 10.557 14.331 ( -1.036 5.905 0.484) 6.015 14.476 ( 2.337 -6.609 4.879) 8.541 14.850 ( -1.482 4.820 -0.904) 5.123 14.939 ( 1.790 -2.415 -0.683) 3.083 15.183 ( -5.052 -1.634 0.133) 5.311 15.199 ( -7.505 -2.826 4.628) 9.259 15.602 ( 5.580 6.703 2.620) 9.106 15.696 ( 10.943 -0.286 1.156) 11.008 15.850 ( -4.086 9.544 2.303) 10.634 16.099 ( -3.500 -11.764 -4.356) 13.024 16.815 ( -0.149 7.912 -7.782) 11.099 16.882 ( -4.565 3.770 1.315) 6.064 17.111 ( -1.216 2.784 -6.196) 6.901 17.263 ( 0.590 -9.511 -4.119) 10.382 17.844 ( 2.695 1.067 -4.102) 5.023 17.918 ( 3.103 -5.123 -2.780) 6.603 18.320 ( 1.807 2.351 9.134) 9.603 18.386 ( 4.214 -3.666 8.315) 10.017 18.563 ( 5.714 8.459 2.169) 10.436 18.725 ( 7.812 -5.486 2.344) 9.830 18.985 ( 0.746 4.968 -1.202) 5.165 19.090 ( 0.367 -3.980 0.258) 4.005 21.897 ( -12.847 1.667 -1.289) 13.019 21.950 ( -12.688 -3.010 -1.693) 13.150 22.222 ( -7.891 9.376 0.601) 12.269 22.455 ( -3.185 -11.596 0.790) 12.052 27.334 ( 2.004 1.988 0.613) 2.888 27.375 ( 2.915 -1.469 0.826) 3.367 27.541 ( 3.480 0.101 -0.569) 3.528 27.546 ( 3.737 -0.355 -0.772) 3.832 36.505 ( 4.688 9.743 1.645) 10.936 36.705 ( 7.594 -7.027 1.884) 10.516 37.512 ( 16.921 18.140 6.557) 25.659 37.740 ( 7.725 -2.096 -6.594) 10.371 38.137 ( 15.552 -1.679 0.606) 15.655 38.288 ( 25.308 -12.936 -9.272) 29.897 39.209 ( 19.197 13.395 1.620) 23.464 39.484 ( 21.457 -11.293 2.340) 24.360 ======================= Grid point 130 (73/150) ======================= q-point: (-0.19 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -21.705 22.980 7.419) 32.469 3.151 ( -21.419 20.430 9.659) 31.136 3.365 ( -24.950 -21.643 -1.091) 33.047 3.739 ( -16.896 -22.495 3.954) 28.410 4.498 ( -21.785 24.094 5.477) 32.941 4.879 ( -23.812 -7.307 1.958) 24.985 5.169 ( -35.428 18.249 2.652) 39.940 5.609 ( -12.501 5.601 -2.986) 14.020 5.662 ( -14.883 -4.245 -11.731) 19.420 5.779 ( -14.678 -2.037 -1.342) 14.880 5.828 ( -7.892 -9.149 -9.520) 15.383 5.946 ( -22.613 -12.053 -7.900) 26.814 6.543 ( -21.842 2.831 -7.471) 23.257 6.602 ( -25.363 -0.839 1.622) 25.429 6.843 ( -14.648 0.390 6.927) 16.208 6.950 ( -17.202 -12.119 14.696) 25.666 7.300 ( -13.559 -3.381 0.699) 13.991 7.390 ( -13.882 -9.241 4.087) 17.170 7.893 ( -7.212 4.973 8.550) 12.242 7.975 ( -10.871 -2.209 6.446) 12.830 8.461 ( -15.942 5.693 -1.652) 17.009 8.501 ( -14.375 3.069 -3.608) 15.136 8.712 ( -4.606 4.494 -6.375) 9.058 8.812 ( -8.813 -3.847 -3.433) 10.211 9.336 ( 0.567 5.596 1.345) 5.783 9.453 ( 3.686 -4.058 0.493) 5.504 9.966 ( 9.351 3.846 -9.262) 13.712 10.062 ( 4.730 -2.918 -7.186) 9.085 10.146 ( 3.968 15.979 4.595) 17.094 10.467 ( 3.949 -9.473 2.595) 10.586 11.199 ( 12.183 0.771 -2.600) 12.481 11.283 ( 13.709 -5.127 -7.307) 16.359 11.666 ( -2.881 -0.915 5.006) 5.848 11.700 ( -2.401 -3.464 3.543) 5.506 12.438 ( -8.386 7.666 0.313) 11.366 12.629 ( -10.743 -8.365 -1.809) 13.736 12.809 ( -5.811 6.754 -4.207) 9.853 12.878 ( -6.346 0.219 -5.636) 8.490 13.065 ( -1.274 8.954 -0.172) 9.046 13.256 ( 2.209 3.536 4.814) 6.369 13.300 ( -3.431 -5.412 -2.174) 6.766 13.390 ( 0.951 -6.017 4.768) 7.736 13.769 ( 0.261 5.371 -9.614) 11.016 13.913 ( -4.397 -5.722 -1.653) 7.403 14.103 ( 4.702 -3.413 0.620) 5.843 14.105 ( -2.473 -2.870 7.558) 8.454 14.393 ( 6.426 3.921 2.429) 7.910 14.544 ( 3.149 -8.494 6.101) 10.921 14.771 ( -7.531 4.472 0.913) 8.806 14.888 ( -7.788 -6.155 -0.200) 9.929 15.047 ( -7.322 -0.407 -0.294) 7.339 15.062 ( -7.133 -1.062 2.896) 7.771 15.638 ( -2.480 8.165 1.005) 8.592 15.771 ( -4.857 -1.861 5.633) 7.667 15.881 ( 4.025 8.179 -2.173) 9.371 16.065 ( 0.655 -7.211 0.496) 7.258 16.801 ( 1.415 7.581 0.915) 7.766 16.873 ( 2.413 1.652 -0.377) 2.948 17.113 ( 4.394 7.815 -4.424) 9.998 17.314 ( 7.349 -8.573 -4.469) 12.144 17.900 ( 4.889 0.908 -5.702) 7.566 17.983 ( 5.027 -6.114 -3.661) 8.721 18.383 ( 1.514 2.967 6.695) 7.478 18.485 ( 3.439 -6.452 4.453) 8.560 18.706 ( 8.121 12.283 2.656) 14.963 18.866 ( 3.912 -0.857 1.656) 4.333 19.019 ( 3.261 1.450 0.320) 3.583 19.134 ( 5.852 -6.513 1.861) 8.951 21.634 ( -13.649 1.502 -0.534) 13.742 21.686 ( -13.824 -3.124 -0.668) 14.188 22.023 ( -12.721 11.836 -1.272) 17.422 22.335 ( -9.564 -16.636 -2.414) 19.340 27.382 ( 2.754 3.235 0.531) 4.281 27.443 ( 3.851 -1.892 0.672) 4.343 27.610 ( 3.632 0.084 -0.239) 3.641 27.621 ( 4.184 -0.842 -0.913) 4.365 36.600 ( 4.345 12.461 1.821) 13.322 36.852 ( 6.791 -8.740 1.553) 11.177 37.839 ( 5.545 4.789 -7.495) 10.481 37.858 ( 15.318 7.157 4.099) 17.397 38.506 ( 24.081 8.463 0.963) 25.543 38.822 ( 31.099 -15.431 -3.022) 34.848 39.586 ( 18.629 15.728 1.823) 24.449 39.908 ( 20.943 -13.234 2.508) 24.900 ======================= Grid point 131 (74/150) ======================= q-point: (-0.12 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -28.108 23.603 7.331) 37.429 2.764 ( -21.454 26.802 5.674) 34.797 2.893 ( -22.984 -18.177 10.122) 31.002 3.493 ( -10.245 -25.206 9.562) 28.840 4.176 ( -14.543 28.670 9.777) 33.601 4.394 ( -25.025 14.827 0.758) 29.098 4.522 ( -29.369 5.855 -1.084) 29.967 5.178 ( -23.635 2.451 0.638) 23.771 5.393 ( -12.852 -9.404 -7.230) 17.490 5.455 ( -19.668 -22.501 -2.556) 29.994 5.681 ( -3.497 -0.650 -7.910) 8.673 5.699 ( -3.400 -5.820 -7.528) 10.105 6.087 ( -19.707 4.407 -6.697) 21.275 6.213 ( -14.952 -5.295 3.633) 16.273 6.644 ( -10.694 -2.558 9.610) 14.603 6.756 ( -8.250 -11.586 10.596) 17.736 7.049 ( -11.885 -0.648 1.656) 12.017 7.160 ( -9.633 -8.584 0.345) 12.908 7.743 ( -12.561 2.027 7.924) 14.989 7.759 ( -13.079 0.254 5.641) 14.246 8.131 ( -14.936 5.059 -1.021) 15.802 8.217 ( -12.468 -2.264 -4.040) 13.300 8.636 ( -0.596 6.049 -9.394) 11.189 8.723 ( -0.487 -1.321 -4.000) 4.240 9.367 ( 1.887 9.893 1.587) 10.196 9.542 ( 5.279 -4.525 -2.510) 7.393 10.083 ( 1.137 11.448 -3.212) 11.944 10.153 ( 12.634 1.577 -7.009) 14.534 10.342 ( 14.186 4.796 -0.627) 14.988 10.564 ( 5.768 -7.987 2.056) 10.064 11.443 ( 13.858 -1.143 -7.353) 15.729 11.475 ( 6.354 -1.101 -10.767) 12.551 11.613 ( -6.293 -3.526 5.279) 8.939 11.638 ( -2.444 -5.014 -0.634) 5.614 12.287 ( -6.057 4.459 2.361) 7.883 12.379 ( -11.359 -2.854 -3.142) 12.126 12.652 ( -8.291 5.573 -0.713) 10.015 12.770 ( -4.806 -3.903 -7.223) 9.514 13.026 ( -4.257 5.472 3.820) 7.916 13.172 ( -8.969 -8.174 8.931) 15.068 13.338 ( 3.502 5.383 4.713) 7.966 13.436 ( 0.970 -3.235 2.923) 4.467 13.658 ( -6.576 7.179 -4.886) 10.893 13.849 ( -1.405 -7.357 -2.300) 7.835 14.122 ( 2.611 0.825 0.636) 2.811 14.227 ( 7.533 -8.052 -3.674) 11.622 14.504 ( -3.967 2.933 1.767) 5.240 14.571 ( -7.737 -3.495 2.881) 8.965 14.659 ( 4.242 -1.599 3.669) 5.832 14.717 ( -4.156 -5.902 5.855) 9.295 14.912 ( -6.887 2.179 0.767) 7.264 14.950 ( -5.628 -1.584 3.854) 7.002 15.547 ( -7.414 4.754 2.270) 9.095 15.626 ( -10.419 -1.626 0.877) 10.581 15.894 ( -1.153 9.824 -1.446) 9.996 16.071 ( -1.267 -5.191 2.025) 5.714 16.887 ( 4.409 8.155 6.249) 11.180 16.929 ( 3.351 3.714 3.313) 6.000 17.253 ( 10.170 10.718 -4.161) 15.350 17.505 ( 11.982 -10.778 -2.094) 16.252 17.992 ( 7.232 1.094 -7.136) 10.219 18.093 ( 7.943 -7.591 -4.074) 11.718 18.425 ( 0.637 3.157 4.355) 5.416 18.551 ( 2.493 -7.680 0.560) 8.094 18.868 ( 5.032 7.204 -0.042) 8.788 18.899 ( 1.316 4.502 4.008) 6.169 19.116 ( 8.773 7.535 2.136) 11.760 19.362 ( 15.378 -9.683 0.824) 18.191 21.380 ( -11.972 1.269 -0.023) 12.039 21.424 ( -12.759 -2.620 0.052) 13.025 21.721 ( -17.291 10.995 -3.371) 20.767 22.039 ( -19.867 -18.616 -6.866) 28.078 27.444 ( 3.433 4.637 0.567) 5.797 27.525 ( 4.178 -2.064 0.422) 4.679 27.673 ( 2.690 0.200 0.277) 2.711 27.696 ( 3.762 -1.696 -0.873) 4.218 36.683 ( 3.278 14.121 2.594) 14.727 36.974 ( 5.038 -10.847 1.985) 12.123 37.894 ( 3.917 10.618 -11.692) 16.272 38.109 ( 9.325 -7.806 1.476) 12.250 39.108 ( 35.621 17.146 8.631) 40.464 39.429 ( 30.905 -11.309 0.197) 32.910 39.930 ( 16.059 17.732 2.060) 24.011 40.291 ( 17.159 -14.707 2.451) 22.732 ======================= Grid point 132 (75/150) ======================= q-point: (-0.06 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -22.361 26.634 11.892) 36.753 2.395 ( -15.509 -13.284 6.097) 21.311 2.635 ( -10.104 26.731 20.610) 35.234 3.411 ( -3.560 -26.346 15.003) 30.527 3.958 ( -10.012 5.196 -7.977) 13.816 4.030 ( -15.663 45.562 15.215) 50.524 4.095 ( -10.664 5.103 2.413) 12.066 4.771 ( -17.043 9.209 -0.418) 19.376 5.018 ( -16.526 -6.028 -2.788) 17.810 5.275 ( -4.619 -36.683 -0.420) 36.975 5.545 ( -4.477 0.765 -14.718) 15.403 5.632 ( -3.601 -9.253 -2.811) 10.319 5.806 ( -6.803 5.487 0.027) 8.740 6.032 ( -6.418 -11.748 2.320) 13.587 6.497 ( -6.925 1.214 6.582) 9.631 6.693 ( -1.599 -12.599 5.899) 14.004 6.880 ( -6.607 2.087 5.528) 8.863 7.027 ( -4.535 -8.565 0.394) 9.699 7.508 ( -10.772 3.083 3.769) 11.821 7.561 ( -9.132 -1.845 4.908) 10.530 7.904 ( -8.302 4.902 -0.648) 9.663 8.016 ( -6.751 -4.568 -5.204) 9.671 8.598 ( 0.266 7.395 -12.237) 14.301 8.710 ( 0.284 -2.324 -6.713) 7.109 9.405 ( 0.881 11.555 1.834) 11.733 9.619 ( 3.334 -5.856 -3.567) 7.624 10.100 ( 1.989 18.289 -3.158) 18.666 10.385 ( 12.721 -5.439 -6.451) 15.265 10.654 ( 16.469 2.232 -1.313) 16.671 10.730 ( 11.451 -1.595 3.624) 12.117 11.392 ( -7.991 0.466 -1.817) 8.208 11.418 ( -11.681 -1.585 1.240) 11.853 11.652 ( 10.692 -4.418 -14.408) 18.478 11.675 ( 6.440 -5.589 -14.172) 16.540 12.147 ( -12.956 1.782 -1.147) 13.128 12.190 ( -10.911 -0.969 -2.362) 11.206 12.560 ( -2.056 1.093 7.862) 8.200 12.645 ( -3.142 -5.934 9.429) 11.575 12.954 ( -3.063 3.611 2.587) 5.396 13.057 ( -6.442 -6.416 10.530) 13.912 13.404 ( -0.194 1.810 5.465) 5.761 13.416 ( -2.292 1.711 -0.824) 2.977 13.588 ( 0.512 8.601 0.222) 8.619 13.831 ( 0.924 -9.415 -2.215) 9.716 14.143 ( -2.941 1.467 -1.118) 3.472 14.236 ( -9.129 -6.736 0.406) 11.352 14.383 ( 1.125 1.902 -1.622) 2.741 14.469 ( 2.200 -4.755 -3.792) 6.468 14.725 ( -4.581 2.493 1.979) 5.578 14.776 ( 0.280 -2.056 4.055) 4.555 14.879 ( 5.761 1.307 7.008) 9.166 14.932 ( 4.844 -3.409 9.030) 10.800 15.363 ( -11.701 2.933 1.578) 12.165 15.419 ( -10.851 -1.900 2.132) 11.220 15.856 ( -1.701 10.741 -1.064) 10.926 16.047 ( -1.436 -5.571 2.146) 6.140 16.948 ( 1.514 12.136 1.366) 12.306 17.055 ( 4.323 4.996 12.727) 14.339 17.397 ( 5.419 11.059 -5.780) 13.604 17.685 ( 5.632 -14.117 0.373) 15.204 18.124 ( 8.348 0.329 -7.276) 11.079 18.236 ( 7.032 -8.552 -5.517) 12.370 18.438 ( -0.585 3.684 3.130) 4.870 18.601 ( 3.392 -9.876 -0.133) 10.443 18.880 ( -0.515 4.355 1.534) 4.646 18.956 ( 0.403 -2.661 6.136) 6.700 19.431 ( 21.625 14.793 -3.871) 26.485 19.660 ( 13.446 -6.649 -3.720) 15.455 21.190 ( -7.233 0.782 -0.118) 7.276 21.209 ( -8.870 -0.838 -0.424) 8.919 21.371 ( -15.428 4.746 -3.456) 16.508 21.536 ( -26.563 -10.866 -7.963) 29.784 27.513 ( 3.211 5.437 0.777) 6.362 27.599 ( 3.221 -1.660 0.013) 3.623 27.708 ( 0.542 0.592 0.799) 1.133 27.753 ( 2.252 -2.947 -0.672) 3.769 36.745 ( 1.923 14.884 3.935) 15.515 37.060 ( 2.846 -12.607 3.168) 13.307 37.900 ( 1.353 15.626 -12.653) 20.152 38.237 ( 4.450 -15.470 -2.945) 16.365 39.825 ( 26.971 8.583 13.339) 31.289 39.961 ( 22.618 -3.363 3.196) 23.089 40.241 ( 17.167 15.182 1.647) 22.977 40.565 ( 9.728 -14.107 1.384) 17.192 ======================= Grid point 165 (76/150) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -2.753 0.000 40.056) 40.151 2.090 ( -12.770 0.000 51.676) 53.231 3.154 ( 8.755 0.000 -29.681) 30.946 3.650 ( -0.372 0.000 2.936) 2.960 3.781 ( 4.893 0.000 6.024) 7.761 3.870 ( 9.939 0.000 75.568) 76.218 4.172 ( 4.951 0.000 -26.502) 26.961 4.262 ( -4.846 0.000 -0.861) 4.921 4.757 ( 2.551 0.000 2.931) 3.886 4.881 ( -0.931 0.000 7.045) 7.106 5.481 ( -2.882 0.000 12.398) 12.728 6.115 ( -8.975 0.000 -19.069) 21.075 6.277 ( 1.407 0.000 -9.248) 9.354 6.394 ( 0.677 0.000 17.962) 17.974 6.774 ( -0.476 0.000 4.193) 4.220 6.866 ( -2.653 0.000 -15.194) 15.424 7.113 ( -2.760 0.000 -8.855) 9.275 7.235 ( 0.152 0.000 -35.372) 35.373 7.345 ( 0.500 0.000 -2.977) 3.019 7.469 ( -4.953 0.000 -22.696) 23.230 7.665 ( 8.634 0.000 17.083) 19.141 7.687 ( 3.266 0.000 6.068) 6.891 8.156 ( -5.201 0.000 -1.245) 5.348 8.286 ( 1.889 0.000 -14.849) 14.969 9.345 ( -1.760 0.000 13.101) 13.219 9.516 ( -1.071 0.000 12.121) 12.168 10.168 ( -8.599 0.000 5.782) 10.362 10.349 ( 4.132 0.000 -1.774) 4.497 10.812 ( 13.951 0.000 -8.485) 16.329 10.887 ( 7.323 0.000 -8.321) 11.084 11.226 ( -13.028 0.000 2.761) 13.318 11.357 ( 4.839 0.000 -2.615) 5.501 11.721 ( -8.605 0.000 -5.904) 10.436 11.774 ( 8.906 0.000 -9.962) 13.362 11.952 ( 1.273 0.000 -0.360) 1.323 11.952 ( -6.950 0.000 -0.174) 6.952 12.577 ( 3.258 0.000 1.143) 3.453 12.599 ( -4.390 0.000 0.306) 4.400 13.143 ( 1.434 0.000 4.599) 4.817 13.177 ( -0.617 0.000 2.462) 2.538 13.463 ( -0.279 0.000 6.071) 6.077 13.501 ( -5.214 0.000 2.500) 5.782 13.752 ( -0.737 0.000 1.493) 1.665 13.778 ( -0.307 0.000 0.132) 0.334 14.064 ( -5.625 0.000 1.476) 5.815 14.151 ( 6.123 0.000 -2.094) 6.472 14.476 ( 0.412 0.000 5.025) 5.042 14.690 ( 6.730 0.000 1.541) 6.904 14.804 ( -3.454 0.000 -6.460) 7.326 14.866 ( -3.207 0.000 -2.769) 4.237 15.124 ( 6.196 0.000 8.584) 10.587 15.283 ( 0.576 0.000 4.268) 4.306 15.390 ( -0.361 0.000 1.171) 1.226 15.587 ( -9.923 0.000 -7.392) 12.374 15.945 ( 2.059 0.000 16.124) 16.255 16.323 ( -0.348 0.000 2.329) 2.355 16.476 ( 1.878 0.000 12.955) 13.090 16.649 ( -1.217 0.000 -11.274) 11.340 16.993 ( 7.340 0.000 -7.490) 10.488 17.565 ( -11.812 0.000 -22.597) 25.498 18.189 ( -0.362 0.000 8.656) 8.663 18.415 ( -1.846 0.000 -2.419) 3.043 18.448 ( 0.166 0.000 -0.949) 0.964 18.564 ( 0.051 0.000 -7.813) 7.813 19.068 ( 2.498 0.000 5.809) 6.323 19.196 ( -0.985 0.000 -0.841) 1.295 19.385 ( 2.624 0.000 10.424) 10.749 19.612 ( -4.116 0.000 -2.055) 4.601 21.109 ( -0.377 0.000 0.223) 0.438 21.138 ( -7.662 0.000 -0.321) 7.668 21.197 ( 13.661 0.000 -0.336) 13.666 21.233 ( -1.063 0.000 -0.841) 1.355 27.428 ( 1.134 0.000 2.433) 2.684 27.524 ( -0.205 0.000 -2.100) 2.110 27.759 ( -1.285 0.000 1.447) 1.935 27.836 ( 0.840 0.000 -2.040) 2.206 36.544 ( 1.254 0.000 8.128) 8.224 36.811 ( 0.323 0.000 -4.142) 4.154 37.636 ( -2.104 0.000 14.064) 14.221 38.502 ( -1.548 0.000 -23.967) 24.017 39.850 ( 0.119 0.000 12.685) 12.686 40.228 ( 2.463 0.000 -3.986) 4.685 41.079 ( -5.952 0.000 5.165) 7.881 41.325 ( 18.345 0.000 -5.489) 19.148 ======================= Grid point 166 (77/150) ======================= q-point: ( 0.06 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 24.996 0.000 32.593) 41.074 2.122 ( -3.545 0.000 50.673) 50.797 3.325 ( 20.672 0.000 -29.423) 35.959 3.816 ( 15.841 0.000 3.121) 16.145 4.091 ( 22.666 0.000 3.859) 22.992 4.115 ( 7.551 0.000 -26.789) 27.832 4.303 ( 8.861 0.000 -0.795) 8.896 4.524 ( 22.283 0.000 59.655) 63.681 4.900 ( 6.927 0.000 0.476) 6.943 5.003 ( 11.861 0.000 23.030) 25.905 5.505 ( -0.669 0.000 17.111) 17.124 5.867 ( -5.606 0.000 -22.492) 23.180 6.308 ( 5.121 0.000 -9.622) 10.900 6.590 ( 8.529 0.000 7.738) 11.516 6.797 ( 2.879 0.000 3.996) 4.926 6.805 ( 3.492 0.000 -8.738) 9.409 7.058 ( 0.101 0.000 -46.414) 46.414 7.156 ( 10.327 0.000 -9.129) 13.784 7.430 ( 7.340 0.000 2.879) 7.885 7.519 ( 13.770 0.000 -4.433) 14.466 7.750 ( 0.784 0.000 -0.105) 0.791 7.901 ( 9.530 0.000 15.540) 18.229 8.069 ( -1.675 0.000 0.927) 1.914 8.246 ( 0.542 0.000 -18.088) 18.096 9.319 ( -5.573 0.000 13.514) 14.618 9.544 ( -0.381 0.000 9.112) 9.120 9.942 ( -13.653 0.000 4.063) 14.244 10.314 ( -6.463 0.000 -0.504) 6.483 10.824 ( -10.146 0.000 -1.658) 10.281 10.856 ( -4.670 0.000 -16.865) 17.500 11.206 ( 8.073 0.000 -4.364) 9.177 11.455 ( -14.929 0.000 6.064) 16.113 11.488 ( -6.713 0.000 -6.238) 9.164 11.620 ( 12.735 0.000 -0.475) 12.743 12.118 ( 11.663 0.000 -1.239) 11.729 12.239 ( 17.421 0.000 -5.491) 18.266 12.493 ( -10.863 0.000 4.324) 11.692 12.559 ( 3.332 0.000 -3.637) 4.933 13.105 ( -5.294 0.000 4.443) 6.911 13.135 ( -3.284 0.000 0.595) 3.338 13.355 ( -6.575 0.000 4.884) 8.190 13.420 ( -5.272 0.000 1.573) 5.502 13.902 ( 8.710 0.000 3.662) 9.448 13.912 ( 6.226 0.000 1.327) 6.366 14.104 ( 13.032 0.000 2.085) 13.197 14.339 ( 11.443 0.000 -0.890) 11.478 14.414 ( -7.984 0.000 6.378) 10.218 14.651 ( -5.309 0.000 -3.047) 6.121 14.842 ( 2.355 0.000 -6.258) 6.686 14.852 ( 2.640 0.000 3.034) 4.022 15.284 ( -1.827 0.000 -4.192) 4.573 15.314 ( 8.163 0.000 12.197) 14.677 15.406 ( 1.539 0.000 2.284) 2.754 15.423 ( -1.518 0.000 -4.351) 4.609 16.004 ( -2.844 0.000 14.769) 15.040 16.331 ( -0.478 0.000 4.410) 4.436 16.516 ( -0.150 0.000 7.248) 7.250 16.568 ( -2.339 0.000 -13.282) 13.486 17.124 ( 6.027 0.000 3.202) 6.824 17.194 ( -15.904 0.000 -21.076) 26.403 18.184 ( -3.194 0.000 10.083) 10.577 18.355 ( -3.657 0.000 -0.859) 3.756 18.452 ( 0.485 0.000 0.324) 0.583 18.521 ( -1.459 0.000 -8.283) 8.411 18.863 ( -14.937 0.000 10.286) 18.136 19.009 ( -12.606 0.000 -2.778) 12.909 19.506 ( 1.347 0.000 8.603) 8.708 19.571 ( -4.739 0.000 -2.267) 5.254 21.153 ( 6.254 0.000 -0.714) 6.295 21.204 ( 10.337 0.000 -0.849) 10.372 21.368 ( 13.606 0.000 1.591) 13.698 21.576 ( 23.319 0.000 -12.076) 26.260 27.434 ( -1.299 0.000 2.505) 2.822 27.490 ( -2.363 0.000 -2.635) 3.539 27.721 ( -3.043 0.000 1.233) 3.283 27.814 ( -2.400 0.000 -1.622) 2.897 36.582 ( -0.415 0.000 6.859) 6.871 36.773 ( -2.411 0.000 -4.901) 5.462 37.620 ( -5.534 0.000 17.119) 17.991 38.341 ( -5.970 0.000 -22.497) 23.276 39.800 ( -9.932 0.000 10.932) 14.770 40.137 ( -9.635 0.000 -5.773) 11.232 40.819 ( -21.394 0.000 -0.694) 21.405 41.145 ( -28.432 0.000 3.854) 28.692 ======================= Grid point 167 (78/150) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 5.778 0.000 44.291) 44.667 2.759 ( 33.710 0.000 25.647) 42.357 3.732 ( 30.531 0.000 -23.679) 38.637 4.153 ( 11.135 0.000 -18.370) 21.481 4.264 ( 24.606 0.000 -10.514) 26.758 4.545 ( 17.487 0.000 3.388) 17.812 4.571 ( 21.250 0.000 -8.282) 22.807 5.009 ( 8.352 0.000 4.099) 9.304 5.249 ( 26.838 0.000 50.237) 56.956 5.470 ( 24.851 0.000 23.930) 34.500 5.566 ( -0.285 0.000 21.279) 21.281 5.793 ( 6.967 0.000 -21.093) 22.214 6.400 ( 8.359 0.000 -9.364) 12.553 6.623 ( 6.367 0.000 -37.105) 37.647 6.909 ( 1.796 0.000 -6.836) 7.068 6.925 ( 7.761 0.000 4.867) 9.161 7.124 ( 18.454 0.000 3.600) 18.802 7.426 ( 19.739 0.000 -8.724) 21.581 7.578 ( 2.980 0.000 10.668) 11.077 7.760 ( 6.018 0.000 -6.300) 8.713 7.894 ( 25.236 0.000 -4.430) 25.622 8.141 ( 7.792 0.000 1.670) 7.969 8.154 ( 10.794 0.000 8.671) 13.845 8.194 ( 2.607 0.000 -15.430) 15.648 9.253 ( -5.052 0.000 9.777) 11.006 9.547 ( -2.259 0.000 2.189) 3.146 9.724 ( -9.879 0.000 3.046) 10.338 10.159 ( -7.884 0.000 -0.755) 7.920 10.580 ( -13.736 0.000 4.235) 14.374 10.647 ( -9.371 0.000 -16.759) 19.201 11.175 ( -4.957 0.000 -10.620) 11.720 11.207 ( -10.854 0.000 9.396) 14.356 11.604 ( 14.837 0.000 -1.010) 14.871 11.927 ( 15.024 0.000 -1.037) 15.060 12.142 ( -12.426 0.000 4.086) 13.080 12.385 ( 2.759 0.000 -4.991) 5.703 12.470 ( 11.217 0.000 0.764) 11.243 12.762 ( 15.738 0.000 -6.901) 17.185 13.039 ( -2.337 0.000 4.027) 4.656 13.076 ( -2.600 0.000 -2.105) 3.346 13.272 ( -4.532 0.000 5.921) 7.456 13.284 ( -7.770 0.000 -3.467) 8.509 14.034 ( 2.732 0.000 3.162) 4.179 14.043 ( 7.841 0.000 4.610) 9.096 14.252 ( -8.551 0.000 6.811) 10.932 14.442 ( 14.496 0.000 -0.495) 14.504 14.513 ( 2.572 0.000 1.963) 3.235 14.573 ( 1.221 0.000 1.704) 2.096 14.805 ( -7.004 0.000 -1.011) 7.077 14.861 ( 1.653 0.000 -3.684) 4.038 15.225 ( -1.187 0.000 -5.727) 5.849 15.424 ( 1.575 0.000 -1.620) 2.259 15.502 ( 8.272 0.000 -0.419) 8.283 15.551 ( 8.626 0.000 15.817) 18.016 15.928 ( -9.492 0.000 11.483) 14.898 16.313 ( -1.737 0.000 -6.135) 6.376 16.488 ( -1.478 0.000 -5.612) 5.803 16.562 ( 2.546 0.000 5.536) 6.093 16.856 ( -10.089 0.000 -20.586) 22.926 17.219 ( 1.366 0.000 8.121) 8.235 18.155 ( -3.440 0.000 9.930) 10.509 18.269 ( -5.154 0.000 0.227) 5.159 18.439 ( -3.877 0.000 -8.023) 8.911 18.468 ( 0.614 0.000 1.939) 2.034 18.687 ( -7.177 0.000 7.699) 10.526 18.790 ( -7.026 0.000 -5.752) 9.080 19.419 ( -9.358 0.000 0.841) 9.395 19.464 ( -7.500 0.000 5.738) 9.444 21.358 ( 14.209 0.000 -0.429) 14.215 21.437 ( 13.086 0.000 -1.284) 13.149 21.707 ( 18.329 0.000 6.666) 19.503 21.913 ( 16.545 0.000 -16.418) 23.309 27.405 ( -2.380 0.000 2.464) 3.425 27.421 ( -3.447 0.000 -2.773) 4.424 27.658 ( -3.583 0.000 0.730) 3.657 27.737 ( -4.761 0.000 -1.172) 4.903 36.574 ( -2.643 0.000 4.523) 5.239 36.688 ( -4.207 0.000 -5.298) 6.765 37.549 ( -8.707 0.000 19.565) 21.415 38.116 ( -8.947 0.000 -19.765) 21.696 39.555 ( -18.484 0.000 8.112) 20.186 39.840 ( -17.737 0.000 -6.422) 18.864 40.285 ( -30.271 0.000 -10.440) 32.021 40.523 ( -36.233 0.000 17.428) 40.207 ======================= Grid point 168 (79/150) ======================= q-point: ( 0.19 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 13.631 0.000 36.442) 38.908 3.479 ( 29.434 0.000 22.362) 36.965 4.256 ( 29.872 0.000 -23.322) 37.898 4.303 ( 16.048 0.000 -27.412) 31.764 4.735 ( 21.233 0.000 6.230) 22.128 4.827 ( 10.374 0.000 -5.279) 11.640 4.911 ( 19.038 0.000 -6.191) 20.020 5.234 ( 14.372 0.000 3.853) 14.880 5.671 ( 1.902 0.000 23.117) 23.195 5.935 ( 27.296 0.000 27.129) 38.484 5.952 ( 15.293 0.000 -15.573) 21.827 6.052 ( 24.469 0.000 16.571) 29.552 6.596 ( 15.335 0.000 -0.797) 15.356 6.687 ( 14.266 0.000 -38.247) 40.821 6.987 ( 10.204 0.000 -3.046) 10.649 7.090 ( 7.873 0.000 1.930) 8.106 7.526 ( 18.060 0.000 8.987) 20.173 7.618 ( 4.193 0.000 10.917) 11.695 7.859 ( 22.282 0.000 -13.834) 26.227 7.976 ( 16.723 0.000 5.387) 17.570 8.211 ( 8.843 0.000 -13.379) 16.037 8.336 ( 10.443 0.000 1.988) 10.631 8.379 ( 21.004 0.000 3.111) 21.234 8.488 ( 22.355 0.000 0.791) 22.369 9.219 ( -0.408 0.000 2.586) 2.618 9.457 ( -6.272 0.000 -3.831) 7.350 9.583 ( -5.843 0.000 3.285) 6.703 10.012 ( -6.999 0.000 -5.430) 8.859 10.387 ( -7.820 0.000 11.181) 13.645 10.398 ( -9.949 0.000 -13.583) 16.837 11.040 ( -5.084 0.000 -9.621) 10.882 11.101 ( -3.967 0.000 7.559) 8.537 11.904 ( 12.038 0.000 0.635) 12.055 11.921 ( -7.116 0.000 7.674) 10.465 12.126 ( 5.339 0.000 -4.268) 6.835 12.416 ( 1.490 0.000 3.526) 3.828 12.697 ( 9.795 0.000 -2.430) 10.091 12.962 ( 4.554 0.000 -2.155) 5.038 13.006 ( -2.392 0.000 -9.218) 9.523 13.084 ( 7.760 0.000 -4.960) 9.210 13.152 ( -3.551 0.000 1.660) 3.920 13.234 ( -0.492 0.000 5.310) 5.332 14.020 ( -4.558 0.000 2.047) 4.997 14.103 ( -8.589 0.000 7.330) 11.292 14.233 ( 8.386 0.000 3.230) 8.986 14.496 ( -2.267 0.000 7.762) 8.087 14.573 ( 0.095 0.000 -6.627) 6.627 14.615 ( -8.028 0.000 3.304) 8.681 14.697 ( 4.032 0.000 -3.493) 5.335 14.954 ( 8.430 0.000 3.621) 9.174 15.175 ( -2.469 0.000 -4.206) 4.877 15.394 ( -4.220 0.000 -4.300) 6.025 15.681 ( 9.251 0.000 0.505) 9.265 15.764 ( -3.283 0.000 7.152) 7.869 15.771 ( 0.670 0.000 17.543) 17.556 16.235 ( -1.088 0.000 -16.134) 16.171 16.447 ( -2.738 0.000 -1.871) 3.316 16.644 ( 3.445 0.000 5.781) 6.730 16.683 ( 0.587 0.000 -19.066) 19.075 17.247 ( -0.659 0.000 6.176) 6.211 18.130 ( -2.570 0.000 7.887) 8.295 18.156 ( -6.177 0.000 -1.657) 6.396 18.337 ( -3.865 0.000 -3.215) 5.027 18.482 ( -0.483 0.000 3.889) 3.919 18.621 ( -2.400 0.000 4.051) 4.709 18.694 ( -1.434 0.000 -5.801) 5.976 19.245 ( -9.233 0.000 3.863) 10.008 19.310 ( -8.713 0.000 2.124) 8.969 21.656 ( 15.770 0.000 0.224) 15.771 21.681 ( 12.412 0.000 -1.302) 12.480 22.076 ( 15.747 0.000 9.346) 18.311 22.107 ( 9.969 0.000 -13.753) 16.986 27.347 ( -3.047 0.000 -2.293) 3.814 27.368 ( -2.199 0.000 2.216) 3.122 27.593 ( -3.273 0.000 0.245) 3.282 27.630 ( -5.655 0.000 -0.860) 5.720 36.514 ( -4.716 0.000 2.172) 5.192 36.582 ( -4.413 0.000 -5.166) 6.794 37.432 ( -11.000 0.000 20.831) 23.557 37.859 ( -10.489 0.000 -16.268) 19.357 39.174 ( -22.612 0.000 5.512) 23.274 39.440 ( -20.464 0.000 -5.678) 21.237 39.626 ( -31.041 0.000 -18.200) 35.983 39.927 ( -32.328 0.000 19.530) 37.769 ======================= Grid point 169 (80/150) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 18.306 0.000 29.927) 35.082 3.968 ( 14.422 0.000 7.884) 16.436 4.591 ( 14.382 0.000 -32.156) 35.226 4.632 ( 24.419 0.000 -9.232) 26.106 5.001 ( 11.346 0.000 -2.656) 11.653 5.109 ( 14.593 0.000 16.626) 22.122 5.303 ( 22.104 0.000 0.819) 22.119 5.551 ( 15.996 0.000 -5.440) 16.896 5.777 ( 0.577 0.000 21.181) 21.189 6.214 ( 15.391 0.000 -11.195) 19.032 6.403 ( 11.972 0.000 12.980) 17.658 6.497 ( 21.356 0.000 -8.503) 22.986 6.849 ( 14.913 0.000 -25.224) 29.303 6.994 ( 22.194 0.000 5.750) 22.927 7.254 ( 16.201 0.000 -7.181) 17.721 7.328 ( 17.153 0.000 8.046) 18.947 7.803 ( 9.910 0.000 12.421) 15.890 7.866 ( 16.057 0.000 3.725) 16.483 8.182 ( 17.423 0.000 -5.358) 18.229 8.400 ( 19.770 0.000 -4.974) 20.386 8.478 ( 20.772 0.000 -1.642) 20.837 8.541 ( 11.680 0.000 6.855) 13.543 8.723 ( 14.968 0.000 6.633) 16.371 8.957 ( 21.793 0.000 -8.792) 23.500 9.253 ( 2.832 0.000 -0.824) 2.949 9.331 ( -2.340 0.000 -2.994) 3.800 9.535 ( 0.138 0.000 2.945) 2.948 9.831 ( -9.068 0.000 -6.255) 11.016 10.180 ( -7.881 0.000 -8.447) 11.553 10.358 ( -0.468 0.000 10.535) 10.546 10.902 ( -6.013 0.000 -7.127) 9.325 11.081 ( -1.288 0.000 4.997) 5.160 11.812 ( -1.774 0.000 0.823) 1.955 12.113 ( -3.160 0.000 -6.086) 6.857 12.196 ( 12.030 0.000 9.469) 15.310 12.447 ( -2.501 0.000 12.865) 13.106 12.738 ( -1.879 0.000 -10.822) 10.984 12.981 ( 2.263 0.000 -5.140) 5.616 12.983 ( -0.868 0.000 -0.365) 0.942 13.193 ( 6.244 0.000 4.600) 7.756 13.203 ( 7.278 0.000 -7.529) 10.472 13.327 ( 7.455 0.000 0.102) 7.456 13.916 ( -5.632 0.000 0.490) 5.653 13.962 ( -8.732 0.000 6.675) 10.991 14.309 ( -2.539 0.000 -4.657) 5.304 14.398 ( -10.158 0.000 0.943) 10.202 14.535 ( -2.072 0.000 13.368) 13.528 14.550 ( 2.324 0.000 -1.533) 2.784 14.774 ( 3.605 0.000 -0.521) 3.643 15.100 ( -3.183 0.000 -4.794) 5.755 15.116 ( 4.433 0.000 0.148) 4.435 15.245 ( -8.149 0.000 1.392) 8.267 15.650 ( -4.456 0.000 3.907) 5.927 15.840 ( 6.569 0.000 0.757) 6.613 15.932 ( 3.437 0.000 17.085) 17.428 16.171 ( 1.456 0.000 -19.186) 19.241 16.377 ( -1.495 0.000 -7.666) 7.810 16.712 ( 6.953 0.000 -12.786) 14.555 16.725 ( 2.554 0.000 4.603) 5.264 17.261 ( 0.827 0.000 2.313) 2.456 18.029 ( -5.745 0.000 -2.872) 6.423 18.112 ( -1.852 0.000 5.175) 5.497 18.269 ( -3.216 0.000 2.433) 4.033 18.478 ( -1.619 0.000 5.041) 5.294 18.605 ( -0.710 0.000 1.363) 1.537 18.671 ( 0.742 0.000 -4.486) 4.547 19.098 ( -7.929 0.000 6.613) 10.324 19.169 ( -5.824 0.000 -1.430) 5.997 21.901 ( 10.684 0.000 -1.166) 10.747 21.945 ( 13.623 0.000 0.450) 13.630 22.217 ( 6.205 0.000 -9.141) 11.048 22.359 ( 9.897 0.000 8.210) 12.859 27.291 ( -1.986 0.000 -1.508) 2.494 27.341 ( -1.360 0.000 1.960) 2.386 27.520 ( -5.331 0.000 -0.724) 5.380 27.537 ( -2.528 0.000 -0.008) 2.528 36.415 ( -5.779 0.000 0.752) 5.827 36.492 ( -2.769 0.000 -4.531) 5.310 37.283 ( -12.223 0.000 20.420) 23.799 37.596 ( -11.094 0.000 -12.702) 16.864 38.752 ( -22.136 0.000 2.969) 22.334 38.970 ( -28.109 0.000 -12.822) 30.896 39.053 ( -17.557 0.000 -12.447) 21.522 39.412 ( -28.071 0.000 16.997) 32.816 ======================= Grid point 170 (81/150) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( 19.848 0.000 25.511) 32.323 4.172 ( 8.198 0.000 -3.802) 9.037 4.675 ( 8.372 0.000 -27.657) 28.897 5.034 ( 13.425 0.000 12.536) 18.368 5.212 ( 10.144 0.000 -2.608) 10.474 5.471 ( 12.878 0.000 22.625) 26.033 5.687 ( 11.461 0.000 10.477) 15.528 5.768 ( 13.893 0.000 -18.040) 22.769 5.883 ( 7.152 0.000 9.217) 11.667 6.423 ( 9.195 0.000 -6.185) 11.081 6.603 ( 7.279 0.000 -0.348) 7.287 6.790 ( 13.754 0.000 -10.944) 17.577 7.095 ( 18.591 0.000 -17.172) 25.309 7.431 ( 21.131 0.000 -2.396) 21.267 7.515 ( 14.182 0.000 -6.215) 15.484 7.727 ( 17.420 0.000 5.826) 18.368 8.097 ( 16.611 0.000 10.881) 19.858 8.188 ( 14.444 0.000 2.837) 14.720 8.506 ( 16.623 0.000 -4.278) 17.165 8.594 ( 6.775 0.000 5.105) 8.483 8.856 ( 10.297 0.000 2.053) 10.500 8.873 ( 15.879 0.000 -5.941) 16.954 9.019 ( 13.493 0.000 3.067) 13.837 9.163 ( 13.939 0.000 -7.393) 15.778 9.305 ( 2.770 0.000 1.384) 3.097 9.466 ( 8.817 0.000 -0.531) 8.833 9.609 ( 5.317 0.000 4.179) 6.762 9.652 ( -4.707 0.000 -3.372) 5.790 10.057 ( -2.287 0.000 -0.366) 2.316 10.417 ( 3.339 0.000 5.103) 6.098 10.755 ( -6.451 0.000 -6.349) 9.051 11.054 ( -3.725 0.000 2.075) 4.264 11.847 ( 5.581 0.000 -4.581) 7.220 12.010 ( -4.574 0.000 -3.975) 6.060 12.406 ( -6.793 0.000 15.447) 16.874 12.414 ( 4.866 0.000 12.042) 12.988 12.684 ( 3.511 0.000 -12.506) 12.989 12.946 ( -2.731 0.000 0.705) 2.821 13.006 ( 1.089 0.000 1.378) 1.757 13.325 ( 8.193 0.000 -9.880) 12.835 13.371 ( 9.347 0.000 2.949) 9.801 13.469 ( 7.044 0.000 -0.861) 7.096 13.810 ( -9.031 0.000 3.434) 9.662 13.830 ( -3.041 0.000 -0.381) 3.064 14.184 ( -6.310 0.000 -3.312) 7.126 14.212 ( -8.443 0.000 0.081) 8.443 14.518 ( -6.004 0.000 14.996) 16.153 14.578 ( -0.760 0.000 -2.839) 2.939 14.829 ( 1.159 0.000 1.193) 1.663 15.025 ( -6.127 0.000 -11.530) 13.057 15.044 ( 0.457 0.000 -4.757) 4.779 15.205 ( -3.587 0.000 14.096) 14.545 15.638 ( 1.591 0.000 4.302) 4.587 15.931 ( 2.325 0.000 0.902) 2.494 16.033 ( 0.772 0.000 16.590) 16.608 16.166 ( 6.353 0.000 -21.147) 22.081 16.349 ( 1.495 0.000 -7.891) 8.032 16.760 ( 0.077 0.000 -0.213) 0.226 16.824 ( 8.525 0.000 -9.735) 12.940 17.304 ( 2.997 0.000 1.135) 3.205 17.929 ( -3.264 0.000 -1.658) 3.661 18.097 ( -1.161 0.000 2.914) 3.137 18.219 ( -3.692 0.000 5.127) 6.318 18.457 ( -2.280 0.000 4.098) 4.690 18.590 ( -1.337 0.000 0.372) 1.388 18.684 ( 1.870 0.000 -3.208) 3.714 18.985 ( -6.785 0.000 8.756) 11.077 19.072 ( -3.216 0.000 -4.353) 5.412 22.082 ( 8.436 0.000 -0.839) 8.478 22.176 ( 10.021 0.000 0.272) 10.025 22.291 ( 4.235 0.000 -4.722) 6.343 22.519 ( 4.358 0.000 4.952) 6.597 27.258 ( -0.992 0.000 -0.915) 1.350 27.331 ( -0.336 0.000 1.772) 1.804 27.423 ( -4.334 0.000 -0.697) 4.390 27.496 ( -1.754 0.000 -0.016) 1.754 36.308 ( -5.242 0.000 0.629) 5.280 36.452 ( 0.477 0.000 -3.629) 3.661 37.115 ( -12.472 0.000 18.387) 22.218 37.336 ( -11.487 0.000 -9.895) 15.161 38.356 ( -19.091 0.000 0.458) 19.097 38.423 ( -22.216 0.000 -14.882) 26.740 38.728 ( -12.454 0.000 -7.754) 14.670 38.969 ( -23.475 0.000 14.029) 27.348 ======================= Grid point 171 (82/150) ======================= q-point: ( 0.38 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.039 ( 18.269 0.000 22.495) 28.979 4.301 ( 7.138 0.000 -4.202) 8.283 4.755 ( 8.995 0.000 -17.638) 19.799 5.241 ( 2.921 0.000 18.150) 18.383 5.337 ( 2.600 0.000 -0.356) 2.624 5.577 ( -4.834 0.000 7.886) 9.249 5.806 ( 1.880 0.000 7.081) 7.326 6.130 ( 24.045 0.000 -4.828) 24.525 6.134 ( 13.094 0.000 2.361) 13.305 6.541 ( 4.748 0.000 1.637) 5.022 6.693 ( 3.035 0.000 -3.728) 4.807 6.953 ( 7.860 0.000 -16.687) 18.445 7.425 ( 20.013 0.000 -9.827) 22.296 7.725 ( 9.826 0.000 -8.325) 12.879 7.764 ( 12.804 0.000 -4.443) 13.553 8.012 ( 12.944 0.000 -1.859) 13.077 8.388 ( 5.354 0.000 -0.753) 5.407 8.497 ( 19.707 0.000 4.940) 20.316 8.685 ( 5.451 0.000 3.674) 6.573 8.852 ( 14.367 0.000 -0.936) 14.397 8.920 ( 1.831 0.000 2.053) 2.751 9.055 ( 7.898 0.000 -7.250) 10.721 9.156 ( -2.588 0.000 0.054) 2.589 9.353 ( 1.064 0.000 -0.591) 1.217 9.447 ( 0.994 0.000 8.842) 8.898 9.598 ( 21.888 0.000 -8.920) 23.636 9.714 ( 6.126 0.000 1.023) 6.211 9.742 ( 5.238 0.000 10.109) 11.385 10.105 ( 5.220 0.000 7.003) 8.735 10.502 ( 2.272 0.000 1.273) 2.604 10.629 ( -1.844 0.000 -9.092) 9.278 10.936 ( -8.716 0.000 -0.248) 8.719 11.924 ( -3.386 0.000 -2.119) 3.994 11.971 ( 9.128 0.000 -9.426) 13.121 12.320 ( -7.411 0.000 15.556) 17.231 12.453 ( -1.441 0.000 0.650) 1.581 12.803 ( 9.395 0.000 -2.995) 9.861 12.891 ( -3.172 0.000 1.547) 3.529 13.046 ( 1.652 0.000 8.003) 8.172 13.437 ( 7.256 0.000 -10.628) 12.869 13.553 ( 8.246 0.000 2.068) 8.502 13.591 ( 5.848 0.000 -0.725) 5.893 13.648 ( -7.867 0.000 0.309) 7.873 13.796 ( -0.549 0.000 0.564) 0.787 14.081 ( -3.590 0.000 1.248) 3.801 14.082 ( -5.023 0.000 -1.124) 5.148 14.422 ( -8.485 0.000 12.835) 15.386 14.502 ( -4.676 0.000 -3.212) 5.673 14.793 ( -4.103 0.000 -1.841) 4.497 14.849 ( -8.052 0.000 -11.223) 13.812 15.102 ( 5.136 0.000 -0.655) 5.177 15.183 ( -3.162 0.000 11.793) 12.210 15.703 ( 1.801 0.000 7.339) 7.557 15.943 ( -0.693 0.000 0.117) 0.702 16.088 ( -1.011 0.000 14.276) 14.311 16.263 ( 11.123 0.000 -20.727) 23.524 16.376 ( 3.981 0.000 -5.136) 6.499 16.733 ( -1.584 0.000 -4.650) 4.913 16.960 ( 8.700 0.000 -7.089) 11.223 17.374 ( 3.505 0.000 0.085) 3.506 17.900 ( 0.338 0.000 1.099) 1.150 18.090 ( -0.414 0.000 1.639) 1.691 18.157 ( -4.888 0.000 6.056) 7.782 18.418 ( -2.923 0.000 1.711) 3.387 18.556 ( -2.289 0.000 0.808) 2.427 18.707 ( 1.275 0.000 -3.329) 3.565 18.893 ( -6.533 0.000 9.833) 11.806 19.012 ( -0.922 0.000 -5.708) 5.782 22.221 ( 6.154 0.000 -0.298) 6.161 22.333 ( 6.155 0.000 -0.147) 6.157 22.349 ( 2.974 0.000 -1.371) 3.275 22.576 ( 0.623 0.000 1.581) 1.700 27.244 ( -0.197 0.000 -0.681) 0.709 27.339 ( 0.354 0.000 0.950) 1.014 27.349 ( -2.957 0.000 -0.017) 2.957 27.467 ( -1.251 0.000 0.075) 1.253 36.230 ( -2.986 0.000 1.651) 3.412 36.489 ( 4.643 0.000 -2.859) 5.453 36.940 ( -11.960 0.000 15.182) 19.327 37.076 ( -11.820 0.000 -8.448) 14.528 38.018 ( -14.268 0.000 -11.692) 18.447 38.026 ( -14.689 0.000 -1.373) 14.753 38.517 ( -6.526 0.000 -6.250) 9.036 38.614 ( -18.023 0.000 11.463) 21.359 ======================= Grid point 172 (83/150) ======================= q-point: ( 0.44 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.404 ( 10.365 0.000 16.159) 19.198 4.427 ( 6.946 0.000 -0.985) 7.016 4.900 ( 9.983 0.000 -4.498) 10.949 5.291 ( -4.071 0.000 13.968) 14.550 5.315 ( -3.355 0.000 2.174) 3.998 5.470 ( -7.302 0.000 5.314) 9.031 5.889 ( 5.436 0.000 1.242) 5.576 6.361 ( 9.470 0.000 1.122) 9.536 6.502 ( 12.483 0.000 0.803) 12.509 6.646 ( 4.555 0.000 9.048) 10.130 6.690 ( -1.460 0.000 -7.497) 7.638 6.978 ( 3.655 0.000 -21.839) 22.142 7.758 ( 16.633 0.000 -10.282) 19.555 7.762 ( -0.262 0.000 -13.338) 13.341 7.924 ( 3.509 0.000 1.073) 3.670 8.231 ( 9.372 0.000 -1.630) 9.513 8.432 ( 2.021 0.000 -4.290) 4.742 8.739 ( 3.294 0.000 4.548) 5.616 8.893 ( 14.243 0.000 -6.431) 15.628 8.947 ( -7.604 0.000 1.922) 7.843 8.994 ( 3.006 0.000 -1.795) 3.501 9.017 ( -3.411 0.000 8.380) 9.047 9.243 ( 12.203 0.000 -0.916) 12.237 9.355 ( 0.617 0.000 -1.579) 1.695 9.537 ( 4.281 0.000 1.554) 4.554 9.697 ( -0.898 0.000 -6.177) 6.242 9.871 ( 2.431 0.000 17.970) 18.134 10.018 ( 14.234 0.000 5.354) 15.208 10.248 ( 5.831 0.000 4.899) 7.616 10.488 ( 0.256 0.000 -3.810) 3.819 10.647 ( 4.113 0.000 -9.525) 10.375 10.732 ( -11.728 0.000 -0.530) 11.740 11.849 ( -4.014 0.000 0.078) 4.015 12.080 ( 4.101 0.000 -11.111) 11.844 12.251 ( -5.081 0.000 13.277) 14.216 12.437 ( 2.803 0.000 -5.166) 5.878 12.841 ( -2.602 0.000 2.424) 3.556 12.949 ( 6.372 0.000 -4.984) 8.090 13.136 ( 2.681 0.000 14.890) 15.129 13.525 ( -4.036 0.000 0.472) 4.063 13.528 ( 6.195 0.000 -10.082) 11.833 13.690 ( 5.017 0.000 -1.639) 5.278 13.705 ( 6.352 0.000 1.471) 6.520 13.801 ( -0.882 0.000 3.563) 3.671 14.000 ( -2.167 0.000 -3.103) 3.785 14.055 ( -0.211 0.000 3.685) 3.691 14.314 ( -6.552 0.000 9.656) 11.669 14.413 ( -2.858 0.000 -2.128) 3.563 14.646 ( -8.620 0.000 -6.991) 11.098 14.694 ( -4.580 0.000 -3.146) 5.556 15.160 ( -3.039 0.000 6.540) 7.211 15.187 ( 3.375 0.000 -0.329) 3.391 15.739 ( -1.604 0.000 9.667) 9.799 15.918 ( -2.069 0.000 1.151) 2.368 16.097 ( -2.906 0.000 10.048) 10.459 16.406 ( 9.126 0.000 -12.960) 15.851 16.480 ( 9.862 0.000 -9.682) 13.820 16.680 ( -1.640 0.000 -5.706) 5.937 17.105 ( 8.414 0.000 -4.157) 9.385 17.422 ( 1.480 0.000 -2.894) 3.251 17.943 ( 2.878 0.000 3.572) 4.587 18.080 ( -5.231 0.000 6.919) 8.674 18.091 ( -0.140 0.000 1.373) 1.381 18.359 ( -3.246 0.000 -0.478) 3.281 18.514 ( -2.283 0.000 1.537) 2.752 18.695 ( -0.862 0.000 -4.701) 4.780 18.800 ( -6.898 0.000 10.181) 12.297 19.003 ( 2.046 0.000 -5.072) 5.469 22.321 ( 4.321 0.000 0.302) 4.332 22.395 ( 1.804 0.000 0.771) 1.962 22.414 ( 2.432 0.000 -0.644) 2.515 22.568 ( -1.268 0.000 -0.856) 1.530 27.244 ( 0.512 0.000 -0.649) 0.827 27.295 ( -1.977 0.000 -0.896) 2.170 27.362 ( 1.031 0.000 1.716) 2.002 27.446 ( -1.034 0.000 0.082) 1.037 36.215 ( 0.651 0.000 3.452) 3.513 36.605 ( 7.585 0.000 -3.038) 8.171 36.768 ( -10.848 0.000 11.389) 15.729 36.831 ( -9.301 0.000 -7.416) 11.896 37.784 ( -9.640 0.000 -2.113) 9.869 37.786 ( -6.184 0.000 -7.894) 10.028 38.362 ( -11.904 0.000 9.221) 15.057 38.431 ( -0.213 0.000 -5.079) 5.084 ======================= Grid point 173 (84/150) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.504 ( -4.840 0.000 6.783) 8.333 4.554 ( 5.259 0.000 2.632) 5.881 5.029 ( 2.074 0.000 1.643) 2.646 5.196 ( -7.532 0.000 2.069) 7.811 5.350 ( -9.698 0.000 15.071) 17.921 5.361 ( 7.190 0.000 13.336) 15.151 6.026 ( 8.290 0.000 1.578) 8.439 6.465 ( -9.654 0.000 -26.175) 27.898 6.500 ( 4.457 0.000 1.034) 4.575 6.654 ( -1.702 0.000 0.990) 1.969 6.787 ( 6.042 0.000 9.302) 11.091 6.995 ( 3.414 0.000 -10.327) 10.876 7.662 ( -4.166 0.000 -14.112) 14.714 7.781 ( -7.605 0.000 -18.479) 19.983 8.067 ( 6.883 0.000 15.174) 16.662 8.318 ( -0.393 0.000 -1.638) 1.684 8.444 ( -0.500 0.000 -8.497) 8.512 8.729 ( -11.009 0.000 7.463) 13.300 8.788 ( -0.137 0.000 -3.405) 3.408 8.894 ( -3.361 0.000 0.004) 3.361 9.041 ( -0.483 0.000 5.697) 5.717 9.173 ( 8.274 0.000 -2.554) 8.660 9.394 ( 3.485 0.000 2.134) 4.086 9.435 ( 7.887 0.000 -2.033) 8.145 9.570 ( -2.334 0.000 -3.920) 4.562 9.634 ( -1.510 0.000 -5.213) 5.427 9.963 ( -0.351 0.000 19.891) 19.894 10.208 ( 4.215 0.000 6.639) 7.864 10.351 ( 4.057 0.000 -0.054) 4.057 10.485 ( -13.581 0.000 0.619) 13.595 10.496 ( -0.289 0.000 -4.901) 4.909 10.696 ( 5.777 0.000 -9.103) 10.781 11.777 ( -3.916 0.000 3.128) 5.012 12.025 ( -4.489 0.000 -7.422) 8.674 12.221 ( -2.131 0.000 8.815) 9.069 12.558 ( 11.140 0.000 -9.274) 14.495 12.810 ( -1.741 0.000 3.002) 3.470 13.011 ( 2.243 0.000 -5.531) 5.968 13.200 ( -2.044 0.000 10.954) 11.143 13.513 ( 1.208 0.000 4.830) 4.978 13.587 ( 2.364 0.000 -7.232) 7.609 13.741 ( -5.284 0.000 4.029) 6.645 13.788 ( 5.748 0.000 -3.659) 6.814 13.810 ( 4.127 0.000 1.351) 4.343 14.003 ( 2.996 0.000 -5.139) 5.948 14.078 ( 0.877 0.000 0.161) 0.892 14.242 ( -3.909 0.000 6.750) 7.800 14.399 ( 2.191 0.000 1.300) 2.547 14.498 ( -4.353 0.000 -1.383) 4.568 14.612 ( -2.396 0.000 -2.413) 3.400 15.112 ( -3.610 0.000 2.908) 4.636 15.233 ( 1.959 0.000 -0.448) 2.010 15.713 ( -4.673 0.000 10.236) 11.252 15.878 ( -2.885 0.000 3.826) 4.792 16.048 ( -5.125 0.000 5.647) 7.625 16.516 ( 5.529 0.000 -4.039) 6.847 16.631 ( -1.503 0.000 -4.498) 4.742 16.652 ( 12.284 0.000 -18.609) 22.297 17.250 ( 7.340 0.000 -1.518) 7.496 17.386 ( -3.889 0.000 -6.760) 7.799 18.019 ( -2.720 0.000 6.851) 7.372 18.026 ( 3.201 0.000 5.184) 6.092 18.088 ( -1.012 0.000 1.306) 1.652 18.297 ( -2.709 0.000 -0.601) 2.775 18.490 ( -0.616 0.000 1.915) 2.012 18.660 ( -0.357 0.000 -4.220) 4.235 18.704 ( -6.925 0.000 10.279) 12.394 19.040 ( 3.261 0.000 -4.272) 5.375 22.387 ( 1.739 0.000 0.438) 1.793 22.422 ( -1.295 0.000 -1.134) 1.722 22.431 ( 1.978 0.000 2.231) 2.982 22.530 ( -2.009 0.000 -2.139) 2.935 27.259 ( 1.193 0.000 -0.600) 1.335 27.264 ( -0.987 0.000 -0.822) 1.285 27.391 ( 1.233 0.000 1.526) 1.962 27.427 ( -0.847 0.000 -0.108) 0.854 36.285 ( 4.922 0.000 5.565) 7.429 36.572 ( -7.081 0.000 -7.111) 10.036 36.610 ( -9.071 0.000 7.802) 11.965 36.863 ( 12.968 0.000 -3.102) 13.334 37.637 ( -4.854 0.000 -1.825) 5.186 37.711 ( 0.584 0.000 -4.882) 4.917 38.225 ( -5.362 0.000 7.209) 8.985 38.472 ( 6.191 0.000 -4.178) 7.468 ======================= Grid point 174 (85/150) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.305 ( -16.206 0.000 4.529) 16.827 4.593 ( -4.750 0.000 3.882) 6.135 5.057 ( 0.027 0.000 7.022) 7.022 5.078 ( -3.298 0.000 -3.923) 5.125 5.188 ( -13.335 0.000 21.550) 25.342 5.578 ( 6.826 0.000 15.897) 17.301 6.104 ( -14.088 0.000 -34.698) 37.449 6.225 ( 10.562 0.000 5.903) 12.100 6.542 ( -0.698 0.000 1.348) 1.518 6.570 ( -6.425 0.000 -3.273) 7.211 6.902 ( 1.786 0.000 -0.853) 1.979 6.953 ( -7.366 0.000 2.011) 7.635 7.494 ( -13.818 0.000 -8.575) 16.262 7.504 ( -6.320 0.000 -16.793) 17.943 8.104 ( -12.544 0.000 16.041) 20.363 8.205 ( -9.725 0.000 -5.071) 10.968 8.361 ( -0.043 0.000 -6.718) 6.718 8.633 ( -3.472 0.000 2.978) 4.574 8.670 ( -7.168 0.000 -2.149) 7.484 8.889 ( -1.165 0.000 5.406) 5.531 9.022 ( -3.706 0.000 3.121) 4.845 9.188 ( -6.063 0.000 0.387) 6.076 9.432 ( -7.703 0.000 -6.195) 9.885 9.464 ( 0.856 0.000 3.874) 3.967 9.575 ( 7.833 0.000 -4.312) 8.941 9.594 ( -1.561 0.000 -7.788) 7.943 9.957 ( -9.345 0.000 10.815) 14.293 10.229 ( -8.720 0.000 6.083) 10.632 10.250 ( -2.760 0.000 4.118) 4.957 10.433 ( -2.580 0.000 -5.226) 5.828 10.451 ( 5.636 0.000 -2.654) 6.230 10.792 ( 6.000 0.000 -4.287) 7.375 11.722 ( -3.082 0.000 3.896) 4.968 11.914 ( -4.128 0.000 -2.939) 5.067 12.241 ( 1.397 0.000 5.800) 5.965 12.741 ( 10.108 0.000 -9.198) 13.666 12.791 ( -1.288 0.000 2.016) 2.393 13.004 ( -0.862 0.000 -3.856) 3.951 13.167 ( -2.958 0.000 4.684) 5.540 13.535 ( -2.512 0.000 5.867) 6.382 13.542 ( -4.726 0.000 0.521) 4.755 13.673 ( -2.145 0.000 -0.299) 2.166 13.874 ( 1.171 0.000 2.668) 2.914 13.881 ( 3.670 0.000 -13.617) 14.103 14.001 ( -1.411 0.000 3.262) 3.554 14.098 ( 3.978 0.000 -6.593) 7.700 14.256 ( 4.692 0.000 0.219) 4.697 14.465 ( 0.648 0.000 5.551) 5.589 14.518 ( 7.221 0.000 4.466) 8.491 14.589 ( 0.437 0.000 0.075) 0.444 15.052 ( -2.785 0.000 -0.231) 2.794 15.276 ( 2.691 0.000 1.287) 2.983 15.646 ( -5.602 0.000 9.428) 10.967 15.838 ( -3.147 0.000 6.285) 7.029 15.945 ( -7.056 0.000 3.671) 7.954 16.580 ( 2.153 0.000 -2.755) 3.497 16.582 ( -2.215 0.000 -3.645) 4.265 16.796 ( 10.046 0.000 -21.800) 24.003 17.220 ( -9.750 0.000 -9.107) 13.342 17.366 ( 4.811 0.000 -0.783) 4.874 18.005 ( -0.863 0.000 6.454) 6.512 18.050 ( -3.143 0.000 -0.462) 3.177 18.126 ( 4.686 0.000 4.482) 6.485 18.266 ( -0.516 0.000 2.426) 2.480 18.513 ( 2.202 0.000 2.946) 3.678 18.614 ( -6.038 0.000 9.940) 11.630 18.663 ( 1.818 0.000 -2.218) 2.868 19.087 ( 2.917 0.000 -3.514) 4.568 22.361 ( -4.386 0.000 -1.486) 4.631 22.382 ( -2.153 0.000 0.911) 2.337 22.472 ( -3.369 0.000 -2.463) 4.173 22.499 ( 3.846 0.000 2.186) 4.424 27.250 ( -0.116 0.000 -0.738) 0.747 27.286 ( 1.758 0.000 -0.375) 1.798 27.414 ( -0.286 0.000 -0.536) 0.607 27.420 ( 1.318 0.000 1.236) 1.807 36.420 ( 2.281 0.000 4.908) 5.412 36.436 ( -3.871 0.000 -6.094) 7.219 36.506 ( 0.117 0.000 7.809) 7.810 37.157 ( 18.360 0.000 -4.798) 18.976 37.576 ( -1.147 0.000 -0.590) 1.290 37.764 ( 6.145 0.000 -2.428) 6.607 38.209 ( 1.326 0.000 5.449) 5.608 38.638 ( 12.431 0.000 -3.534) 12.924 ======================= Grid point 175 (86/150) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.961 ( -21.014 0.000 8.512) 22.672 4.360 ( -19.917 0.000 3.840) 20.284 4.912 ( -13.598 0.000 4.432) 14.302 5.069 ( -3.060 0.000 11.791) 12.181 5.137 ( -0.135 0.000 10.071) 10.072 5.706 ( 1.014 0.000 11.924) 11.967 5.717 ( -12.547 0.000 -28.437) 31.082 6.369 ( -13.500 0.000 -5.378) 14.532 6.390 ( -6.540 0.000 11.269) 13.029 6.506 ( 3.577 0.000 -5.758) 6.779 6.731 ( -16.097 0.000 7.739) 17.861 6.748 ( -11.587 0.000 -16.478) 20.144 7.281 ( -10.336 0.000 -19.183) 21.791 7.308 ( -6.513 0.000 9.662) 11.652 7.851 ( -13.663 0.000 9.604) 16.701 7.928 ( -15.269 0.000 -9.363) 17.911 8.328 ( -4.671 0.000 -0.807) 4.740 8.538 ( -7.664 0.000 0.524) 7.682 8.556 ( -5.875 0.000 7.584) 9.594 8.836 ( -6.663 0.000 1.256) 6.780 8.866 ( -13.162 0.000 -3.551) 13.633 9.004 ( -12.543 0.000 8.814) 15.330 9.313 ( -1.374 0.000 -1.521) 2.050 9.365 ( -15.418 0.000 -1.451) 15.486 9.510 ( -3.163 0.000 -12.414) 12.811 9.572 ( -8.619 0.000 2.647) 9.017 9.806 ( -1.201 0.000 -2.310) 2.604 10.138 ( -8.344 0.000 -0.161) 8.346 10.225 ( 2.795 0.000 9.055) 9.476 10.350 ( -5.562 0.000 -4.330) 7.049 10.573 ( 8.231 0.000 -3.453) 8.926 10.901 ( 6.531 0.000 -0.395) 6.543 11.689 ( -1.392 0.000 2.332) 2.716 11.860 ( -1.007 0.000 1.368) 1.698 12.303 ( 2.511 0.000 4.144) 4.846 12.776 ( -0.470 0.000 -0.334) 0.576 12.821 ( -0.845 0.000 -2.223) 2.378 12.975 ( -0.235 0.000 -2.044) 2.057 13.170 ( 3.735 0.000 -3.583) 5.176 13.455 ( -6.992 0.000 4.419) 8.271 13.468 ( -3.510 0.000 5.481) 6.508 13.634 ( -1.225 0.000 -3.767) 3.961 13.728 ( -10.133 0.000 -13.672) 17.018 13.869 ( -1.406 0.000 -0.020) 1.406 14.082 ( 4.732 0.000 6.728) 8.226 14.201 ( 7.935 0.000 -5.090) 9.427 14.386 ( 9.289 0.000 -7.959) 12.233 14.522 ( 1.624 0.000 9.195) 9.337 14.625 ( 2.545 0.000 3.482) 4.313 14.676 ( 5.325 0.000 6.818) 8.651 15.025 ( 2.008 0.000 -5.799) 6.137 15.350 ( 3.792 0.000 4.191) 5.652 15.585 ( -3.655 0.000 8.506) 9.258 15.798 ( -3.692 0.000 6.182) 7.201 15.808 ( -8.496 0.000 4.390) 9.563 16.519 ( -2.521 0.000 -4.175) 4.877 16.578 ( -0.954 0.000 -3.041) 3.187 16.871 ( 5.830 0.000 -21.502) 22.279 16.966 ( -12.494 0.000 -8.401) 15.055 17.427 ( 2.185 0.000 -2.049) 2.995 17.971 ( -4.126 0.000 -1.687) 4.458 18.031 ( 1.308 0.000 4.897) 5.068 18.239 ( 5.506 0.000 3.452) 6.499 18.291 ( 1.329 0.000 4.585) 4.774 18.547 ( -4.696 0.000 9.908) 10.964 18.598 ( 5.296 0.000 3.902) 6.578 18.703 ( 2.604 0.000 -1.034) 2.802 19.125 ( 2.153 0.000 -2.293) 3.145 22.246 ( -6.874 0.000 -1.413) 7.018 22.313 ( -5.394 0.000 0.831) 5.458 22.375 ( -5.875 0.000 -2.152) 6.256 22.589 ( 4.729 0.000 1.188) 4.875 27.253 ( 0.577 0.000 -0.683) 0.894 27.321 ( 1.842 0.000 0.058) 1.843 27.418 ( 1.175 0.000 -1.138) 1.636 27.452 ( 1.645 0.000 0.772) 1.817 36.361 ( -4.259 0.000 2.344) 4.861 36.382 ( 0.360 0.000 -4.749) 4.763 36.719 ( 12.756 0.000 10.294) 16.392 37.523 ( 21.705 0.000 -9.415) 23.659 37.583 ( 1.408 0.000 2.223) 2.631 37.928 ( 11.240 0.000 1.133) 11.297 38.314 ( 7.550 0.000 4.187) 8.633 38.923 ( 18.150 0.000 -3.061) 18.407 ======================= Grid point 176 (87/150) ======================= q-point: (-0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.574 ( -23.287 0.000 15.513) 27.981 3.904 ( -28.233 0.000 8.413) 29.460 4.665 ( -12.205 0.000 -0.528) 12.217 4.986 ( -11.672 0.000 12.491) 17.095 5.056 ( -12.651 0.000 -5.179) 13.670 5.478 ( -5.772 0.000 1.486) 5.960 5.704 ( -6.663 0.000 11.958) 13.689 5.977 ( -24.396 0.000 -6.897) 25.352 6.027 ( -23.085 0.000 -8.821) 24.713 6.386 ( -13.098 0.000 -17.298) 21.697 6.453 ( -14.608 0.000 5.623) 15.653 6.698 ( 4.235 0.000 7.610) 8.709 6.963 ( -14.465 0.000 -17.715) 22.870 7.180 ( -11.657 0.000 13.170) 17.588 7.569 ( -18.074 0.000 -9.840) 20.579 7.737 ( -1.762 0.000 4.184) 4.540 8.146 ( -13.018 0.000 -2.496) 13.255 8.341 ( -12.017 0.000 -1.447) 12.103 8.458 ( -10.661 0.000 13.865) 17.490 8.547 ( -16.633 0.000 -2.248) 16.784 8.618 ( -14.155 0.000 -1.628) 14.249 8.810 ( -13.710 0.000 10.940) 17.540 8.940 ( -20.925 0.000 -0.963) 20.947 9.342 ( -0.975 0.000 0.836) 1.284 9.376 ( -1.557 0.000 -16.861) 16.932 9.427 ( -7.934 0.000 2.899) 8.447 9.759 ( -3.232 0.000 -4.646) 5.660 9.957 ( -9.501 0.000 0.148) 9.502 10.183 ( -8.321 0.000 -8.284) 11.741 10.348 ( 5.843 0.000 6.806) 8.971 10.743 ( 10.820 0.000 -5.534) 12.153 11.041 ( 7.513 0.000 1.260) 7.618 11.698 ( 1.907 0.000 1.725) 2.571 11.876 ( 1.155 0.000 4.073) 4.234 12.353 ( 1.398 0.000 1.815) 2.291 12.730 ( -7.621 0.000 4.750) 8.980 12.771 ( 0.532 0.000 -3.163) 3.208 12.970 ( -0.046 0.000 -2.379) 2.379 13.228 ( -0.929 0.000 -2.094) 2.291 13.355 ( 0.019 0.000 -2.517) 2.518 13.386 ( -14.019 0.000 -1.155) 14.066 13.445 ( -5.173 0.000 -8.320) 9.797 13.679 ( 5.298 0.000 0.795) 5.357 13.849 ( 0.139 0.000 -0.857) 0.869 14.182 ( 2.664 0.000 6.701) 7.211 14.336 ( 7.039 0.000 -2.433) 7.447 14.534 ( 9.309 0.000 -11.473) 14.774 14.543 ( -4.895 0.000 12.898) 13.795 14.718 ( 5.270 0.000 6.492) 8.361 14.760 ( 2.383 0.000 4.082) 4.727 15.096 ( 7.355 0.000 -10.091) 12.487 15.444 ( 3.378 0.000 7.649) 8.362 15.582 ( 0.039 0.000 8.305) 8.305 15.660 ( -8.301 0.000 6.169) 10.342 15.725 ( -5.695 0.000 1.397) 5.863 16.469 ( -0.230 0.000 -6.620) 6.624 16.540 ( -1.522 0.000 -1.206) 1.942 16.695 ( -12.593 0.000 -4.046) 13.227 16.861 ( 0.969 0.000 -18.532) 18.557 17.433 ( -0.670 0.000 -4.220) 4.273 17.901 ( -2.057 0.000 -0.376) 2.091 18.089 ( 3.007 0.000 3.804) 4.849 18.336 ( 1.282 0.000 4.186) 4.378 18.361 ( 6.017 0.000 1.141) 6.124 18.507 ( -2.767 0.000 7.723) 8.204 18.744 ( 1.896 0.000 -1.013) 2.150 18.747 ( 8.216 0.000 5.592) 9.938 19.156 ( 1.728 0.000 -0.525) 1.806 22.085 ( -9.231 0.000 -0.974) 9.283 22.177 ( -8.971 0.000 0.325) 8.977 22.227 ( -8.765 0.000 -1.128) 8.837 22.681 ( 4.522 0.000 -1.655) 4.815 27.266 ( 0.963 0.000 -0.726) 1.206 27.354 ( 1.530 0.000 0.132) 1.536 27.457 ( 3.322 0.000 -1.271) 3.556 27.493 ( 2.495 0.000 0.131) 2.499 36.309 ( -1.904 0.000 2.082) 2.821 36.410 ( 3.853 0.000 -3.558) 5.245 37.026 ( 14.628 0.000 9.109) 17.233 37.652 ( 4.045 0.000 9.242) 10.088 37.893 ( 20.636 0.000 -17.170) 26.845 38.224 ( 18.428 0.000 6.465) 19.529 38.525 ( 12.515 0.000 3.930) 13.117 39.311 ( 22.798 0.000 -2.563) 22.941 ======================= Grid point 177 (88/150) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( -24.312 0.000 23.973) 34.144 3.382 ( -29.649 0.000 18.013) 34.693 4.419 ( -13.140 0.000 -13.241) 18.654 4.660 ( -25.579 0.000 5.145) 26.091 4.667 ( -24.858 0.000 14.692) 28.875 5.382 ( -27.531 0.000 4.481) 27.894 5.383 ( -10.343 0.000 10.447) 14.701 5.432 ( -26.137 0.000 -14.371) 29.827 5.749 ( -4.883 0.000 1.148) 5.016 5.988 ( -21.228 0.000 -14.685) 25.812 6.193 ( -14.436 0.000 3.723) 14.908 6.658 ( -9.280 0.000 -14.269) 17.021 6.791 ( 3.137 0.000 4.997) 5.900 6.965 ( -15.509 0.000 11.079) 19.059 7.151 ( -21.830 0.000 -6.543) 22.790 7.713 ( -3.319 0.000 -3.282) 4.668 7.851 ( -15.707 0.000 -3.102) 16.010 8.093 ( -11.375 0.000 -5.968) 12.846 8.170 ( -20.828 0.000 7.771) 22.230 8.262 ( -11.377 0.000 2.595) 11.669 8.320 ( -15.732 0.000 -2.115) 15.873 8.504 ( -19.340 0.000 11.395) 22.448 8.701 ( -9.210 0.000 5.597) 10.777 9.073 ( -17.126 0.000 -12.409) 21.149 9.281 ( -6.842 0.000 -2.017) 7.133 9.478 ( 8.463 0.000 -4.936) 9.797 9.693 ( -1.373 0.000 0.834) 1.606 9.803 ( -6.447 0.000 -0.766) 6.492 10.024 ( -2.939 0.000 -9.270) 9.724 10.477 ( 4.710 0.000 6.352) 7.907 10.932 ( 11.570 0.000 -11.139) 16.060 11.196 ( 8.446 0.000 -0.451) 8.458 11.780 ( 5.128 0.000 4.216) 6.638 11.914 ( 0.466 0.000 5.049) 5.070 12.378 ( 1.371 0.000 -2.040) 2.458 12.584 ( -9.589 0.000 6.121) 11.376 12.765 ( 0.258 0.000 -6.851) 6.856 12.917 ( -6.050 0.000 -1.092) 6.147 13.036 ( -16.842 0.000 -5.997) 17.878 13.145 ( -3.905 0.000 4.976) 6.325 13.360 ( -3.505 0.000 -3.022) 4.628 13.415 ( 5.426 0.000 -11.228) 12.470 13.846 ( 9.800 0.000 4.865) 10.941 13.891 ( 4.399 0.000 0.890) 4.488 14.229 ( -0.270 0.000 5.706) 5.712 14.417 ( -6.423 0.000 12.531) 14.081 14.469 ( 1.669 0.000 0.382) 1.713 14.648 ( 6.626 0.000 -11.583) 13.344 14.803 ( -0.003 0.000 1.575) 1.575 14.875 ( 7.882 0.000 7.569) 10.928 15.186 ( 4.842 0.000 -9.010) 10.229 15.500 ( -5.306 0.000 10.065) 11.378 15.543 ( -4.782 0.000 9.490) 10.627 15.612 ( -0.844 0.000 -4.051) 4.138 15.646 ( 2.020 0.000 6.409) 6.719 16.390 ( -8.809 0.000 -9.100) 12.665 16.526 ( 0.162 0.000 -0.159) 0.227 16.549 ( 2.399 0.000 0.257) 2.413 16.787 ( -1.898 0.000 -12.214) 12.361 17.359 ( -4.992 0.000 -4.846) 6.957 17.905 ( 2.050 0.000 1.869) 2.774 18.173 ( 4.226 0.000 3.179) 5.288 18.364 ( 0.172 0.000 3.501) 3.506 18.473 ( 5.536 0.000 -2.308) 5.998 18.496 ( -0.893 0.000 4.943) 5.023 18.768 ( 1.194 0.000 -1.332) 1.789 18.958 ( 11.566 0.000 5.341) 12.739 19.194 ( 2.163 0.000 1.605) 2.694 21.883 ( -11.336 0.000 -0.351) 11.342 21.968 ( -12.494 0.000 -0.530) 12.505 22.031 ( -11.284 0.000 0.570) 11.298 22.731 ( 1.643 0.000 -7.480) 7.659 27.282 ( 1.037 0.000 -0.828) 1.327 27.386 ( 1.941 0.000 -0.298) 1.963 27.531 ( 4.564 0.000 -0.739) 4.623 27.552 ( 3.762 0.000 -0.605) 3.810 36.303 ( 0.349 0.000 2.988) 3.008 36.495 ( 5.969 0.000 -2.755) 6.575 37.309 ( 11.143 0.000 1.964) 11.314 37.849 ( 11.286 0.000 25.168) 27.582 38.183 ( 16.728 0.000 -20.057) 26.118 38.677 ( 25.076 0.000 5.874) 25.755 38.817 ( 15.633 0.000 5.178) 16.469 39.774 ( 25.516 0.000 -1.743) 25.576 ======================= Grid point 178 (89/150) ======================= q-point: (-0.19 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( -24.468 0.000 32.972) 41.059 2.916 ( -27.723 0.000 28.862) 40.020 3.923 ( -34.144 0.000 14.743) 37.191 4.098 ( -30.087 0.000 -4.658) 30.446 4.402 ( -9.290 0.000 11.198) 14.550 4.836 ( -29.764 0.000 4.160) 30.053 4.866 ( -25.493 0.000 -20.112) 32.471 5.140 ( -16.157 0.000 4.408) 16.748 5.476 ( -26.227 0.000 -5.983) 26.901 5.692 ( -3.227 0.000 -0.139) 3.230 5.891 ( -19.060 0.000 -1.301) 19.104 6.524 ( -0.851 0.000 -6.023) 6.083 6.632 ( -17.897 0.000 3.967) 18.331 6.731 ( -17.777 0.000 -1.724) 17.860 6.917 ( 4.332 0.000 10.268) 11.145 7.502 ( -16.638 0.000 -11.812) 20.404 7.546 ( -13.208 0.000 -0.060) 13.208 7.841 ( -13.499 0.000 1.083) 13.542 7.867 ( -8.931 0.000 -11.959) 14.926 8.007 ( -16.316 0.000 0.892) 16.340 8.134 ( -22.493 0.000 8.332) 23.987 8.159 ( -1.019 0.000 -0.564) 1.165 8.524 ( -11.446 0.000 4.806) 12.414 8.651 ( -19.984 0.000 -13.074) 23.880 9.188 ( -2.004 0.000 1.492) 2.498 9.592 ( 0.201 0.000 -1.972) 1.983 9.733 ( 4.136 0.000 5.542) 6.915 9.737 ( 6.043 0.000 -6.486) 8.865 10.040 ( 6.789 0.000 -4.256) 8.013 10.576 ( 3.074 0.000 7.524) 8.128 11.107 ( 12.027 0.000 -16.905) 20.747 11.374 ( 10.992 0.000 -4.218) 11.773 11.874 ( 0.012 0.000 4.960) 4.960 11.912 ( -3.160 0.000 5.246) 6.124 12.381 ( 1.093 0.000 -11.455) 11.507 12.400 ( -11.157 0.000 3.925) 11.827 12.677 ( -6.489 0.000 -3.109) 7.195 12.739 ( -11.680 0.000 3.789) 12.279 12.820 ( -2.219 0.000 -0.962) 2.418 13.134 ( 0.105 0.000 2.629) 2.631 13.297 ( -1.352 0.000 -3.209) 3.482 13.457 ( 3.116 0.000 -9.825) 10.308 13.991 ( 3.425 0.000 1.992) 3.962 14.055 ( 8.612 0.000 5.644) 10.297 14.219 ( -1.777 0.000 3.360) 3.801 14.300 ( -6.874 0.000 14.997) 16.497 14.550 ( 4.707 0.000 -0.240) 4.713 14.693 ( 1.829 0.000 -11.333) 11.479 14.736 ( -7.833 0.000 1.383) 7.954 15.042 ( 5.498 0.000 4.570) 7.149 15.215 ( 1.381 0.000 -5.104) 5.287 15.310 ( -11.047 0.000 -0.881) 11.082 15.544 ( 0.188 0.000 7.840) 7.843 15.702 ( 5.767 0.000 8.169) 9.999 15.703 ( 1.158 0.000 7.307) 7.398 16.185 ( -7.891 0.000 -0.912) 7.943 16.502 ( -1.874 0.000 -10.794) 10.956 16.671 ( 9.321 0.000 -6.617) 11.431 16.752 ( 1.459 0.000 1.179) 1.876 17.245 ( -3.982 0.000 0.840) 4.069 17.971 ( 3.159 0.000 2.874) 4.271 18.276 ( 5.347 0.000 2.473) 5.891 18.374 ( -0.207 0.000 3.457) 3.463 18.500 ( -0.246 0.000 2.257) 2.271 18.546 ( 3.400 0.000 -5.671) 6.612 18.793 ( 2.290 0.000 -1.288) 2.627 19.230 ( 14.548 0.000 3.930) 15.069 19.256 ( 3.227 0.000 3.644) 4.868 21.647 ( -12.946 0.000 0.302) 12.949 21.695 ( -15.065 0.000 -1.591) 15.149 21.803 ( -12.581 0.000 2.296) 12.789 22.652 ( -6.449 0.000 -16.938) 18.124 27.300 ( 1.139 0.000 -0.557) 1.267 27.428 ( 2.560 0.000 -0.739) 2.664 27.621 ( 4.656 0.000 -0.039) 4.656 27.633 ( 4.825 0.000 -1.336) 5.007 36.341 ( 1.932 0.000 4.656) 5.041 36.609 ( 6.465 0.000 -2.458) 6.917 37.463 ( 5.273 0.000 -0.086) 5.274 38.311 ( 24.298 0.000 40.420) 47.161 38.398 ( 13.345 0.000 -21.344) 25.172 39.156 ( 16.545 0.000 8.123) 18.431 39.201 ( 26.535 0.000 3.137) 26.720 40.265 ( 25.063 0.000 -0.261) 25.064 ======================= Grid point 179 (90/150) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -33.163 0.000 29.117) 44.132 2.489 ( -23.598 0.000 41.439) 47.688 3.447 ( -23.542 0.000 55.556) 60.338 3.547 ( -21.879 0.000 -12.204) 25.053 4.286 ( -17.178 0.000 4.959) 17.880 4.293 ( -26.708 0.000 3.160) 26.894 4.321 ( -12.080 0.000 -18.176) 21.824 4.880 ( -9.736 0.000 -1.874) 9.915 4.945 ( -25.569 0.000 -4.804) 26.016 5.436 ( -24.134 0.000 -6.820) 25.079 5.619 ( -5.182 0.000 3.592) 6.305 6.340 ( -12.823 0.000 6.469) 14.362 6.461 ( -6.516 0.000 -11.882) 13.551 6.584 ( 3.018 0.000 13.186) 13.527 6.950 ( -11.725 0.000 3.423) 12.214 7.202 ( -4.181 0.000 -18.951) 19.407 7.302 ( -8.649 0.000 10.152) 13.337 7.635 ( -9.377 0.000 -17.517) 19.869 7.643 ( -10.156 0.000 -1.360) 10.247 7.704 ( -15.398 0.000 2.944) 15.676 7.732 ( -16.587 0.000 -2.655) 16.799 8.097 ( -9.029 0.000 -12.019) 15.033 8.304 ( -4.881 0.000 -14.990) 15.765 8.338 ( -8.558 0.000 6.261) 10.604 9.207 ( 1.457 0.000 8.845) 8.965 9.533 ( -3.803 0.000 5.089) 6.353 9.887 ( 9.042 0.000 8.217) 12.218 9.942 ( 14.306 0.000 -7.052) 15.949 10.228 ( 13.534 0.000 -3.087) 13.881 10.661 ( 2.888 0.000 8.455) 8.935 11.276 ( 11.981 0.000 -16.716) 20.566 11.580 ( 11.751 0.000 -8.040) 14.238 11.734 ( -12.441 0.000 -7.114) 14.332 11.803 ( -10.841 0.000 4.315) 11.668 12.230 ( -5.634 0.000 2.897) 6.335 12.354 ( -1.639 0.000 -4.516) 4.804 12.517 ( -12.430 0.000 4.894) 13.358 12.629 ( 2.217 0.000 -4.818) 5.304 12.856 ( 5.101 0.000 2.937) 5.886 13.144 ( 0.131 0.000 1.098) 1.106 13.299 ( 2.662 0.000 -0.844) 2.793 13.465 ( 0.401 0.000 -4.011) 4.031 13.993 ( -3.366 0.000 2.723) 4.330 14.096 ( -5.276 0.000 2.442) 5.814 14.293 ( 7.205 0.000 2.209) 7.536 14.302 ( 0.439 0.000 12.774) 12.782 14.514 ( -13.346 0.000 2.438) 13.567 14.595 ( -8.349 0.000 -10.461) 13.384 14.673 ( 6.857 0.000 0.841) 6.908 15.029 ( -4.659 0.000 -8.603) 9.783 15.207 ( -1.400 0.000 -1.525) 2.070 15.216 ( -0.066 0.000 7.560) 7.560 15.522 ( -5.146 0.000 0.595) 5.180 15.750 ( 0.826 0.000 11.977) 12.005 15.826 ( 1.890 0.000 7.745) 7.972 16.157 ( 4.052 0.000 7.960) 8.932 16.401 ( -2.153 0.000 -15.056) 15.209 16.773 ( -1.352 0.000 -3.006) 3.297 16.815 ( 8.334 0.000 -11.132) 13.906 17.354 ( 14.985 0.000 14.034) 20.531 18.030 ( 1.619 0.000 3.501) 3.857 18.387 ( 4.874 0.000 0.551) 4.905 18.392 ( 0.993 0.000 4.591) 4.697 18.506 ( 0.567 0.000 1.956) 2.037 18.568 ( 1.775 0.000 -7.210) 7.425 18.864 ( 5.838 0.000 -0.431) 5.854 19.338 ( 3.056 0.000 5.302) 6.120 19.528 ( 14.120 0.000 1.543) 14.204 21.391 ( -14.952 0.000 -2.311) 15.130 21.395 ( -12.835 0.000 0.726) 12.855 21.570 ( -12.278 0.000 2.832) 12.601 22.301 ( -22.740 0.000 -25.801) 34.391 27.328 ( 1.839 0.000 0.738) 1.981 27.476 ( 2.643 0.000 -1.133) 2.875 27.703 ( 3.525 0.000 0.666) 3.588 27.723 ( 4.911 0.000 -1.939) 5.280 36.406 ( 2.514 0.000 6.454) 6.926 36.717 ( 5.422 0.000 -2.674) 6.045 37.543 ( 2.541 0.000 4.895) 5.515 38.534 ( 9.010 0.000 -22.915) 24.623 39.112 ( 41.379 0.000 44.420) 60.707 39.517 ( 17.976 0.000 15.373) 23.653 39.697 ( 23.159 0.000 0.769) 23.172 40.713 ( 20.017 0.000 2.145) 20.131 ======================= Grid point 180 (91/150) ======================= q-point: (-0.06 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -31.620 0.000 34.234) 46.603 2.227 ( -20.047 0.000 47.946) 51.969 3.212 ( -5.908 0.000 -20.550) 21.382 3.466 ( -1.865 0.000 75.709) 75.732 3.848 ( -18.332 0.000 4.041) 18.772 3.880 ( -15.587 0.000 3.199) 15.912 4.227 ( 0.387 0.000 -23.228) 23.232 4.497 ( -18.188 0.000 -2.403) 18.346 4.765 ( -3.594 0.000 5.630) 6.680 5.015 ( -14.368 0.000 -6.795) 15.894 5.529 ( -5.580 0.000 7.524) 9.368 6.209 ( -3.352 0.000 5.302) 6.273 6.328 ( -2.960 0.000 -9.982) 10.412 6.596 ( -18.764 0.000 -3.517) 19.091 6.716 ( 4.177 0.000 9.765) 10.621 7.011 ( -6.277 0.000 -17.192) 18.302 7.323 ( -15.437 0.000 -4.129) 15.979 7.362 ( -1.468 0.000 -10.471) 10.574 7.446 ( -8.527 0.000 -7.761) 11.530 7.454 ( 2.778 0.000 7.493) 7.991 7.630 ( -0.515 0.000 4.604) 4.633 7.770 ( -12.195 0.000 -30.588) 32.929 8.242 ( -4.279 0.000 3.155) 5.316 8.284 ( 3.146 0.000 -11.940) 12.348 9.289 ( 2.096 0.000 12.594) 12.767 9.504 ( -2.307 0.000 10.712) 10.957 10.120 ( 9.563 0.000 8.549) 12.827 10.188 ( 12.445 0.000 -4.483) 13.228 10.518 ( 17.244 0.000 -5.335) 18.050 10.754 ( 4.341 0.000 5.460) 6.976 11.405 ( -2.744 0.000 -0.704) 2.833 11.530 ( -17.137 0.000 2.682) 17.345 11.530 ( 8.116 0.000 -21.189) 22.690 11.725 ( 6.082 0.000 -7.978) 10.032 12.131 ( -11.574 0.000 2.348) 11.810 12.222 ( -10.367 0.000 -5.210) 11.602 12.424 ( 6.156 0.000 2.345) 6.588 12.657 ( 0.200 0.000 -3.197) 3.203 13.014 ( 8.408 0.000 5.045) 9.805 13.155 ( 0.857 0.000 1.491) 1.719 13.402 ( 7.453 0.000 2.195) 7.770 13.451 ( -0.968 0.000 2.341) 2.534 13.898 ( -7.534 0.000 1.641) 7.710 13.963 ( -9.605 0.000 -1.151) 9.674 14.229 ( -13.175 0.000 -5.174) 14.155 14.231 ( -12.307 0.000 4.572) 13.129 14.404 ( 2.946 0.000 5.988) 6.673 14.527 ( 7.437 0.000 0.446) 7.451 14.830 ( 7.321 0.000 2.722) 7.811 14.915 ( -3.918 0.000 -9.252) 10.048 15.125 ( -6.491 0.000 1.292) 6.618 15.251 ( 0.469 0.000 6.713) 6.729 15.420 ( -3.293 0.000 -1.103) 3.472 15.783 ( -7.328 0.000 -0.529) 7.347 15.837 ( 2.528 0.000 15.305) 15.513 16.329 ( 7.275 0.000 13.805) 15.604 16.336 ( -0.242 0.000 -7.516) 7.520 16.710 ( -1.968 0.000 -7.159) 7.425 16.907 ( 6.220 0.000 -12.970) 14.385 17.705 ( 8.591 0.000 -11.096) 14.033 18.106 ( 5.025 0.000 9.694) 10.919 18.439 ( 0.666 0.000 -2.163) 2.264 18.442 ( 1.341 0.000 0.065) 1.342 18.575 ( 1.641 0.000 -7.523) 7.700 18.657 ( 18.516 0.000 14.636) 23.602 19.031 ( 10.998 0.000 1.293) 11.073 19.387 ( -1.049 0.000 7.130) 7.207 19.716 ( 2.755 0.000 -2.831) 3.950 21.148 ( -7.383 0.000 -1.131) 7.469 21.185 ( -8.090 0.000 0.299) 8.096 21.359 ( -9.994 0.000 1.572) 10.117 21.619 ( -34.708 0.000 -16.349) 38.366 27.378 ( 2.628 0.000 2.192) 3.422 27.515 ( 1.721 0.000 -1.561) 2.323 27.755 ( 1.287 0.000 1.227) 1.778 27.800 ( 3.563 0.000 -2.196) 4.185 36.480 ( 2.195 0.000 7.842) 8.143 36.791 ( 3.184 0.000 -3.303) 4.588 37.603 ( 0.652 0.000 10.212) 10.233 38.571 ( 3.760 0.000 -24.014) 24.306 39.705 ( 10.313 0.000 13.031) 16.619 40.069 ( 14.686 0.000 -1.561) 14.769 40.433 ( 59.612 0.000 28.610) 66.122 41.020 ( 9.417 0.000 4.928) 10.629 ======================= Grid point 181 (92/150) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 0.877 11.582 35.547) 37.397 2.414 ( -8.570 24.719 42.302) 49.739 3.107 ( 10.735 -9.653 -15.478) 21.166 3.364 ( -2.341 -7.770 -1.314) 8.220 3.823 ( 1.589 -5.477 -2.668) 6.296 4.181 ( 6.182 15.452 13.822) 21.634 4.254 ( 5.531 11.727 19.944) 23.788 4.364 ( -3.928 9.541 5.610) 11.744 4.735 ( 3.478 -4.329 9.692) 11.170 4.857 ( -0.387 1.666 0.066) 1.712 5.479 ( -3.324 -0.398 8.917) 9.524 5.820 ( -1.460 -22.351 -13.839) 26.329 6.107 ( -7.158 -10.320 -4.177) 13.236 6.368 ( 2.588 -3.592 13.638) 14.339 6.691 ( -1.334 -4.549 7.558) 8.922 6.878 ( 1.734 -4.445 -15.107) 15.842 7.018 ( -3.488 -3.294 -6.261) 7.888 7.246 ( 2.093 -11.575 2.306) 11.987 7.330 ( 2.459 5.372 -11.661) 13.073 7.559 ( -5.885 6.797 -31.761) 33.009 7.682 ( -2.113 2.021 11.212) 11.587 7.752 ( 5.617 3.815 -1.147) 6.886 7.980 ( -1.382 -7.641 3.433) 8.490 8.405 ( -1.287 4.919 -14.495) 15.361 9.361 ( -0.731 3.206 6.570) 7.347 9.511 ( 1.031 1.373 3.393) 3.803 10.100 ( -7.052 -3.900 10.194) 12.995 10.421 ( 1.816 2.390 -5.452) 6.224 10.844 ( 11.960 2.529 -5.203) 13.286 10.877 ( 5.693 0.341 -7.080) 9.091 11.248 ( -10.303 1.465 2.500) 10.702 11.353 ( 4.532 -1.014 -1.751) 4.963 11.585 ( -4.048 -11.056 -7.565) 13.995 11.673 ( 3.175 -8.564 -12.522) 15.499 11.912 ( -0.696 -2.169 0.318) 2.300 11.925 ( -2.346 -1.304 -0.196) 2.691 12.643 ( 1.991 5.266 3.228) 6.489 12.719 ( -4.666 8.599 0.516) 9.797 13.091 ( 1.454 -4.329 5.411) 7.081 13.206 ( -0.968 3.243 0.219) 3.391 13.384 ( -3.521 -5.270 8.341) 10.476 13.555 ( -3.384 2.671 1.713) 4.639 13.704 ( -0.656 -4.728 6.003) 7.669 13.841 ( 4.824 4.204 -1.565) 6.588 14.081 ( -3.647 0.916 -0.436) 3.786 14.149 ( 4.792 -0.019 -2.160) 5.256 14.421 ( 1.616 -2.783 2.115) 3.851 14.609 ( -1.876 -10.909 -4.740) 12.041 14.760 ( 4.685 -0.155 3.204) 5.678 14.891 ( -5.373 -0.657 -1.151) 5.533 15.139 ( 6.955 0.954 8.736) 11.207 15.221 ( 1.199 -3.192 5.962) 6.869 15.384 ( -2.114 -2.852 0.334) 3.566 15.424 ( -9.127 -6.403 -0.289) 11.153 15.783 ( 4.045 -6.542 12.758) 14.897 16.227 ( 1.119 -8.888 -0.367) 8.965 16.516 ( -0.207 16.422 0.793) 16.443 16.903 ( -2.780 14.116 -8.379) 16.649 17.217 ( 4.317 17.757 8.971) 20.357 17.928 ( -5.143 11.768 -11.862) 17.483 18.192 ( -4.313 -1.422 -1.301) 4.724 18.372 ( 0.552 -14.456 -2.144) 14.624 18.409 ( 0.720 1.584 -0.397) 1.785 18.517 ( 0.250 7.278 -7.848) 10.706 19.023 ( 3.505 -7.324 2.675) 8.549 19.169 ( -1.132 2.564 -2.546) 3.786 19.320 ( -1.878 -5.322 7.776) 9.608 19.601 ( -2.206 -1.541 -4.557) 5.292 21.110 ( -0.278 0.102 0.123) 0.320 21.132 ( -5.142 -0.396 0.246) 5.163 21.174 ( 10.743 -1.506 -1.037) 10.898 21.207 ( -1.352 -2.021 -0.985) 2.624 27.480 ( 1.036 4.331 2.226) 4.979 27.569 ( -0.142 3.290 -2.006) 3.856 27.745 ( -1.520 -1.216 1.469) 2.439 27.815 ( 0.790 -1.862 -1.747) 2.672 36.657 ( 0.729 10.155 9.086) 13.646 37.035 ( 0.622 16.363 -9.533) 18.948 37.581 ( -1.942 -4.031 13.622) 14.338 38.372 ( -0.911 -11.274 -19.990) 22.968 39.963 ( -0.273 9.778 9.885) 13.907 40.265 ( 2.573 3.495 -2.576) 5.047 40.950 ( -5.455 -11.055 3.861) 12.918 41.061 ( 14.131 -19.605 2.172) 24.265 ======================= Grid point 182 (93/150) ======================= q-point: ( 0.06 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 24.331 13.234 27.295) 38.886 2.478 ( -0.200 25.717 41.337) 48.685 3.358 ( 22.489 1.886 -29.840) 37.413 3.521 ( 16.552 -17.647 11.130) 26.632 3.959 ( 12.322 -10.149 -11.701) 19.792 4.242 ( 10.843 2.843 -21.967) 24.662 4.437 ( 10.473 10.832 3.901) 15.564 4.700 ( 18.768 11.014 34.111) 40.461 4.892 ( 5.863 -5.106 14.546) 16.493 5.013 ( 13.916 8.194 26.616) 31.133 5.500 ( 1.403 -0.682 12.689) 12.784 5.697 ( -2.500 -14.759 -18.694) 23.949 6.060 ( 2.582 -14.016 -2.151) 14.413 6.540 ( 8.798 -4.029 10.352) 14.170 6.733 ( 4.419 -3.277 2.825) 6.184 6.900 ( 4.225 3.977 -12.310) 13.609 6.994 ( 5.539 -4.301 -15.235) 16.771 7.289 ( 1.230 -2.934 -22.621) 22.844 7.402 ( 11.017 1.847 -7.564) 13.491 7.482 ( 9.473 1.817 -4.138) 10.496 7.737 ( 1.669 -1.750 17.972) 18.134 7.891 ( 7.476 0.586 2.673) 7.961 8.002 ( 4.334 -3.089 -0.716) 5.370 8.323 ( -0.912 3.884 -15.460) 15.966 9.342 ( -3.492 2.364 7.113) 8.269 9.532 ( -0.373 -0.035 1.241) 1.296 9.935 ( -11.231 0.205 7.211) 13.349 10.347 ( -6.715 1.864 -2.053) 7.265 10.822 ( -6.241 -0.689 -10.596) 12.317 10.886 ( -7.496 3.480 -4.041) 9.199 11.219 ( 0.949 -0.688 -4.425) 4.578 11.345 ( -12.303 -7.635 2.267) 14.656 11.412 ( -2.200 -5.255 -5.971) 8.253 11.616 ( 12.464 -2.083 -1.069) 12.682 12.059 ( 11.934 -3.459 -1.949) 12.577 12.212 ( 19.312 -3.106 -4.891) 20.162 12.572 ( -9.350 5.705 5.388) 12.207 12.634 ( -2.425 6.172 -2.396) 7.051 13.050 ( -5.598 -3.396 5.948) 8.846 13.182 ( -1.358 2.977 -0.820) 3.373 13.285 ( -8.018 -3.512 7.347) 11.428 13.522 ( -1.652 6.500 0.210) 6.710 13.738 ( 4.402 -8.019 2.034) 9.371 14.024 ( 3.986 3.230 2.202) 5.583 14.141 ( 14.990 2.322 0.256) 15.171 14.313 ( 5.139 -2.377 3.056) 6.434 14.393 ( -1.349 -1.148 0.282) 1.794 14.578 ( 0.455 -9.127 -4.547) 10.207 14.800 ( 1.924 -0.572 -2.398) 3.127 14.903 ( 2.903 2.303 5.625) 6.736 15.192 ( -6.256 -6.696 -0.366) 9.171 15.318 ( 4.716 -2.688 3.602) 6.515 15.332 ( 0.123 -3.402 1.707) 3.809 15.374 ( 4.989 1.787 7.593) 9.260 15.891 ( 1.907 -5.496 7.320) 9.350 16.241 ( 1.725 -11.701 -4.343) 12.600 16.512 ( -1.159 15.150 3.550) 15.603 16.789 ( -5.399 14.170 -8.190) 17.234 17.271 ( -4.064 14.627 11.468) 19.026 17.727 ( -8.526 25.620 -16.623) 31.708 18.094 ( -6.260 -10.004 8.155) 14.345 18.343 ( -1.774 -11.039 -3.908) 11.844 18.397 ( -2.394 3.360 -0.411) 4.146 18.469 ( -1.637 2.396 -3.750) 4.742 18.902 ( -11.542 -1.213 3.677) 12.174 18.989 ( -9.817 2.049 -1.529) 10.144 19.369 ( -0.396 -9.336 9.249) 13.148 19.545 ( -4.838 -4.474 -3.349) 7.392 21.163 ( 6.947 0.966 -0.610) 7.040 21.221 ( 10.879 1.522 -1.003) 11.030 21.330 ( 12.925 -2.978 0.831) 13.289 21.501 ( 21.045 -5.752 -9.070) 23.627 27.478 ( -1.984 3.624 2.037) 4.607 27.540 ( -1.985 3.980 -2.137) 4.935 27.702 ( -3.269 -1.630 1.353) 3.895 27.794 ( -2.361 -1.799 -1.366) 3.268 36.684 ( -1.447 9.533 8.306) 12.727 36.980 ( -2.542 15.405 -9.381) 18.215 37.570 ( -5.061 -3.852 16.530) 17.712 38.236 ( -5.264 -9.319 -19.807) 22.514 39.892 ( -10.637 8.139 8.604) 15.919 40.172 ( -10.473 3.354 -4.150) 11.754 40.706 ( -19.967 -9.665 -1.048) 22.208 40.937 ( -23.372 -16.289 6.747) 29.277 ======================= Grid point 183 (94/150) ======================= q-point: ( 0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 8.766 24.658 32.073) 41.395 2.897 ( 30.744 11.821 25.867) 41.881 3.764 ( 28.738 3.509 -22.856) 36.886 3.984 ( 24.838 -16.457 5.290) 30.261 4.115 ( 12.146 -7.598 -21.082) 25.489 4.497 ( 19.527 -4.559 -14.018) 24.466 4.730 ( 15.778 10.398 4.218) 19.361 4.985 ( 9.392 -3.025 4.108) 10.688 5.266 ( 20.337 -4.859 5.967) 21.744 5.477 ( 15.704 5.234 40.167) 43.444 5.653 ( 11.017 6.689 25.144) 28.255 5.712 ( 13.354 -5.700 -10.249) 17.773 6.159 ( 9.326 -13.299 -5.791) 17.244 6.674 ( 6.579 -0.786 -19.724) 20.807 6.907 ( 6.512 -1.188 3.756) 7.611 6.931 ( 5.274 2.834 0.688) 6.026 7.076 ( 9.511 -2.018 -14.487) 17.447 7.379 ( 15.233 -10.792 -8.037) 20.325 7.647 ( 13.791 0.939 -1.280) 13.882 7.719 ( 11.234 6.745 10.693) 16.913 7.934 ( 17.368 1.685 1.708) 17.533 8.062 ( 10.322 -4.369 2.316) 11.445 8.164 ( 11.518 2.922 -2.218) 12.089 8.283 ( 3.613 3.203 -12.633) 13.524 9.291 ( -3.893 2.129 5.649) 7.183 9.486 ( -4.427 -5.255 -1.692) 7.077 9.772 ( -7.449 5.648 3.219) 9.887 10.187 ( -8.296 1.915 -2.057) 8.759 10.598 ( -12.190 1.292 -3.545) 12.760 10.679 ( -10.423 3.365 -6.180) 12.576 11.076 ( -7.937 -9.036 -3.236) 12.455 11.121 ( -8.922 -6.262 0.441) 10.909 11.610 ( 15.439 0.940 -1.332) 15.525 11.891 ( 12.330 -3.035 -0.028) 12.698 12.230 ( 2.501 0.102 0.268) 2.517 12.338 ( -3.276 5.816 0.701) 6.712 12.556 ( 9.088 1.654 -3.353) 9.827 12.683 ( 9.405 -4.493 -4.954) 11.540 12.974 ( -4.050 -3.588 4.292) 6.906 13.129 ( -4.216 -0.870 -1.214) 4.472 13.196 ( -2.362 3.075 4.123) 5.660 13.455 ( -4.141 8.813 -2.285) 10.002 13.845 ( 4.588 -10.154 2.662) 11.456 14.115 ( 4.266 0.777 5.047) 6.654 14.195 ( -9.920 -5.231 3.635) 11.789 14.400 ( 8.413 -3.035 -3.761) 9.702 14.568 ( 10.246 1.681 3.006) 10.810 14.602 ( 4.275 2.441 1.546) 5.160 14.809 ( -3.928 -1.258 -1.504) 4.390 14.924 ( 0.414 3.803 1.945) 4.291 15.115 ( -0.967 -1.861 -3.583) 4.151 15.328 ( 1.987 -6.420 1.434) 6.872 15.473 ( 7.866 -3.174 2.385) 8.811 15.547 ( 6.575 -0.463 15.225) 16.590 15.883 ( -3.146 -0.989 -2.093) 3.906 16.275 ( 3.824 -12.239 -9.658) 16.053 16.501 ( -1.279 13.176 4.562) 14.002 16.650 ( -6.098 12.570 -4.880) 14.799 17.138 ( -10.109 13.265 2.399) 16.850 17.531 ( -8.390 19.911 -3.140) 21.834 18.032 ( -3.111 -9.257 7.816) 12.508 18.265 ( -4.478 -4.436 -8.114) 10.275 18.331 ( -3.314 -2.161 2.357) 4.605 18.443 ( -0.843 -1.941 -0.116) 2.120 18.733 ( -6.575 2.460 3.849) 8.006 18.840 ( -5.094 3.990 -2.796) 7.049 19.316 ( -6.949 -7.724 5.680) 11.840 19.408 ( -8.005 -5.912 0.783) 9.982 21.380 ( 14.599 2.012 -0.009) 14.737 21.459 ( 13.317 2.093 -1.776) 13.597 21.653 ( 17.946 -4.313 5.446) 19.244 21.829 ( 16.480 -6.736 -13.503) 22.345 27.430 ( -3.223 2.611 1.056) 4.281 27.480 ( -3.400 4.335 -1.035) 5.606 27.638 ( -3.603 -1.842 0.689) 4.104 27.720 ( -4.618 -1.580 -1.033) 4.989 36.660 ( -3.822 8.515 6.339) 11.283 36.874 ( -4.743 13.786 -8.593) 16.923 37.507 ( -8.131 -3.338 18.371) 20.365 38.032 ( -8.348 -7.553 -17.989) 21.221 39.624 ( -19.266 6.069 5.706) 20.990 39.863 ( -18.887 2.211 -3.973) 19.427 40.204 ( -28.732 -6.944 -9.260) 30.976 40.405 ( -32.626 -9.686 15.743) 37.498 ======================= Grid point 184 (95/150) ======================= q-point: ( 0.19 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 12.937 22.949 29.488) 39.542 3.584 ( 28.341 9.010 20.516) 36.129 4.163 ( 18.610 -5.774 -21.036) 28.674 4.351 ( 25.585 2.109 -23.703) 34.941 4.500 ( 20.991 -14.135 6.989) 26.253 4.784 ( 15.024 -6.274 -14.530) 21.823 5.008 ( 10.952 2.465 13.035) 17.203 5.253 ( 17.106 3.519 -1.473) 17.526 5.552 ( 11.893 -11.218 -0.537) 16.358 5.804 ( 14.530 -1.718 4.977) 15.455 6.121 ( 19.615 4.729 18.808) 27.584 6.152 ( 26.152 6.942 9.918) 28.818 6.416 ( 19.590 -6.512 -0.581) 20.652 6.720 ( 7.204 -3.041 -18.213) 19.821 6.971 ( 7.935 -1.023 -10.910) 13.529 7.137 ( 11.387 3.631 4.927) 12.928 7.269 ( 11.551 -9.957 0.776) 15.270 7.713 ( 18.071 -9.741 3.287) 20.791 7.922 ( 17.068 11.933 0.175) 20.827 8.042 ( 17.998 7.190 9.528) 21.597 8.284 ( 11.972 2.056 -10.233) 15.883 8.326 ( 10.609 -0.914 4.916) 11.729 8.355 ( 20.326 1.195 -1.624) 20.426 8.506 ( 21.343 1.219 -5.448) 22.061 9.243 ( -2.408 0.275 2.229) 3.293 9.365 ( -6.359 -7.344 -3.673) 10.386 9.655 ( -5.372 6.374 0.408) 8.346 10.015 ( -8.392 0.213 -5.733) 10.165 10.380 ( -9.248 1.401 -3.565) 10.010 10.478 ( -8.126 5.479 3.055) 10.266 10.932 ( -5.517 -9.258 -6.057) 12.362 11.010 ( -3.361 -6.992 3.416) 8.477 11.893 ( 11.549 0.005 -0.492) 11.559 11.979 ( -1.701 4.241 6.709) 8.117 12.268 ( 3.529 10.211 -0.608) 10.821 12.337 ( 1.792 -4.712 1.151) 5.171 12.698 ( 4.042 -3.667 -5.753) 7.930 12.855 ( 9.244 -5.921 -3.570) 11.544 12.919 ( -1.302 -3.648 -0.871) 3.970 13.087 ( 1.930 -1.623 -1.949) 3.187 13.201 ( 1.063 5.445 1.838) 5.844 13.377 ( -2.331 8.862 -1.642) 9.310 13.883 ( -2.048 -10.201 1.555) 10.520 14.016 ( -9.274 -7.271 4.471) 12.604 14.239 ( 6.295 -0.038 4.663) 7.834 14.463 ( 0.445 -0.788 -2.830) 2.971 14.642 ( -6.571 0.964 2.942) 7.264 14.690 ( -0.499 3.227 3.331) 4.665 14.739 ( 4.465 5.168 -0.549) 6.851 15.016 ( 7.022 4.641 1.603) 8.568 15.064 ( -2.515 -2.397 -3.011) 4.597 15.381 ( 1.144 -2.543 0.549) 2.842 15.590 ( 1.635 -7.312 3.059) 8.093 15.731 ( 5.448 -3.378 17.685) 18.811 15.828 ( 1.962 5.273 -6.363) 8.494 16.268 ( -0.012 -3.278 -16.795) 17.112 16.490 ( -3.406 6.227 -1.676) 7.293 16.544 ( -1.158 6.739 1.373) 6.974 16.994 ( -3.744 12.067 -1.160) 12.688 17.365 ( -7.569 6.733 0.097) 10.130 18.013 ( -1.671 -5.874 2.812) 6.724 18.145 ( -4.596 -2.061 -3.815) 6.318 18.291 ( -2.201 -2.611 3.580) 4.948 18.429 ( -0.555 -3.725 0.454) 3.793 18.661 ( -3.379 2.921 4.130) 6.083 18.755 ( -2.690 3.600 -2.235) 5.019 19.189 ( -7.552 -4.462 4.808) 10.003 19.262 ( -6.844 -4.196 0.512) 8.044 21.684 ( 15.844 2.570 0.248) 16.053 21.704 ( 12.404 2.094 -1.437) 12.661 22.017 ( 15.975 -4.897 8.242) 18.631 22.041 ( 10.798 -5.469 -12.031) 17.066 27.370 ( -2.957 2.255 -0.388) 3.739 27.412 ( -3.353 3.352 0.828) 4.813 27.573 ( -3.192 -1.772 0.032) 3.651 27.617 ( -5.430 -1.253 -0.868) 5.640 36.588 ( -5.395 7.548 4.267) 10.212 36.741 ( -5.770 11.693 -7.406) 14.996 37.395 ( -10.472 -2.976 18.967) 21.870 37.790 ( -10.097 -6.222 -15.041) 19.154 39.220 ( -23.266 3.929 2.879) 23.771 39.451 ( -21.741 1.153 -2.058) 21.868 39.579 ( -29.588 -3.987 -16.939) 34.325 39.852 ( -30.583 -6.413 17.480) 35.805 ======================= Grid point 185 (96/150) ======================= q-point: ( 0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( 16.032 18.765 24.802) 34.990 4.029 ( 12.888 4.933 4.148) 14.410 4.532 ( 24.623 -5.677 -6.159) 26.009 4.686 ( 15.854 6.163 -25.813) 30.914 4.805 ( 11.184 -11.483 3.069) 16.320 5.053 ( 16.385 -7.235 -0.731) 17.926 5.295 ( 11.240 -5.053 17.078) 21.060 5.598 ( 19.895 5.714 -5.887) 21.520 5.777 ( 10.372 -5.603 7.123) 13.774 6.123 ( 15.918 2.150 -1.804) 16.164 6.443 ( 14.497 -0.530 -11.919) 18.776 6.579 ( 11.842 4.193 3.893) 13.152 6.760 ( 15.959 -2.929 -10.422) 19.285 6.977 ( 21.006 -4.685 1.775) 21.595 7.161 ( 18.049 -5.364 -2.978) 19.063 7.465 ( 17.987 7.896 3.063) 19.881 7.531 ( 16.795 -8.834 6.215) 19.969 8.072 ( 16.680 4.001 6.835) 18.465 8.289 ( 18.776 8.204 0.027) 20.490 8.445 ( 19.544 4.140 -0.151) 19.978 8.504 ( 13.841 0.632 0.656) 13.871 8.551 ( 12.969 3.170 -0.285) 13.354 8.739 ( 18.506 2.082 4.527) 19.165 8.930 ( 20.671 -1.777 -7.527) 22.070 9.201 ( -3.044 -6.611 1.287) 7.391 9.258 ( -0.810 -3.996 -5.225) 6.627 9.590 ( -1.191 3.246 0.616) 3.512 9.824 ( -8.426 -0.608 -5.622) 10.148 10.189 ( -8.345 1.970 -4.662) 9.760 10.413 ( -1.922 4.295 8.381) 9.611 10.819 ( -3.837 -6.757 -5.807) 9.700 10.997 ( -0.021 -6.777 3.259) 7.520 11.913 ( -0.633 8.072 0.161) 8.098 12.082 ( 0.757 -0.246 2.028) 2.179 12.315 ( 3.236 5.581 5.251) 8.318 12.400 ( 1.847 -1.233 5.788) 6.200 12.656 ( -2.644 -6.992 -7.797) 10.802 12.936 ( 1.780 -3.932 -0.937) 4.416 12.997 ( 4.990 0.705 -3.580) 6.181 13.170 ( 6.808 -1.385 -1.602) 7.130 13.248 ( 4.703 3.327 -1.219) 5.888 13.380 ( 3.136 4.505 -2.212) 5.918 13.799 ( -5.584 -8.690 -0.504) 10.342 13.878 ( -7.054 -7.579 5.117) 11.549 14.332 ( -2.687 4.463 -2.460) 5.761 14.426 ( 1.569 -1.274 3.302) 3.872 14.501 ( -7.273 1.731 2.157) 7.781 14.688 ( -3.453 4.450 9.631) 11.157 14.812 ( 2.878 3.940 -1.237) 5.034 14.993 ( -1.573 -1.264 -4.117) 4.585 15.133 ( 1.761 0.054 -3.706) 4.104 15.359 ( -3.058 5.334 5.318) 8.129 15.585 ( -1.032 -5.321 2.442) 5.945 15.842 ( 1.555 -3.387 11.250) 11.851 15.944 ( 7.375 4.333 2.970) 9.055 16.187 ( -0.184 1.180 -18.204) 18.243 16.371 ( -4.795 1.085 -7.339) 8.834 16.589 ( 3.566 -2.006 -1.908) 4.514 16.978 ( 1.537 10.881 -0.457) 10.998 17.269 ( -1.715 -0.439 -1.414) 2.265 17.968 ( -2.561 -3.598 -3.668) 5.741 18.075 ( -2.702 -1.555 2.763) 4.166 18.268 ( -1.981 -0.644 5.031) 5.446 18.424 ( -0.333 -4.415 0.507) 4.456 18.613 ( -3.077 0.956 3.937) 5.087 18.722 ( -0.714 2.760 0.108) 2.853 19.071 ( -6.411 -1.791 4.892) 8.261 19.155 ( -4.105 -1.336 -1.713) 4.645 21.918 ( 10.556 1.619 -2.022) 10.869 21.976 ( 13.344 2.658 1.176) 13.657 22.173 ( 7.102 -3.674 -8.008) 11.317 22.307 ( 10.630 -4.443 7.269) 13.623 27.317 ( -2.217 2.259 -0.937) 3.301 27.363 ( -2.154 1.840 1.907) 3.415 27.509 ( -4.813 -0.959 -0.596) 4.944 27.519 ( -2.663 -1.549 -0.525) 3.125 36.492 ( -5.890 6.936 3.181) 9.639 36.608 ( -4.896 9.122 -6.233) 12.084 37.247 ( -11.793 -2.921 18.180) 21.866 37.537 ( -10.913 -5.377 -11.781) 16.935 38.778 ( -22.436 2.212 0.409) 22.549 38.947 ( -27.385 -2.032 -12.778) 30.287 39.059 ( -18.302 0.868 -7.774) 19.904 39.356 ( -26.936 -4.783 15.459) 31.423 ======================= Grid point 186 (97/150) ======================= q-point: ( 0.31 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.714 ( 15.183 11.665 18.259) 26.458 4.232 ( 9.781 4.490 -1.528) 10.870 4.737 ( 7.358 3.820 -22.470) 23.950 5.009 ( 10.874 -2.746 4.724) 12.170 5.044 ( 15.333 -8.668 9.925) 20.218 5.366 ( 16.110 -9.592 0.054) 18.749 5.511 ( 6.948 -3.597 7.391) 10.763 5.901 ( 9.166 -7.988 3.311) 12.601 6.045 ( 13.407 12.538 11.254) 21.532 6.320 ( 8.964 2.967 -14.187) 17.042 6.654 ( 8.341 0.368 -6.698) 10.704 6.745 ( 12.232 -4.442 -8.377) 15.476 7.059 ( 18.611 -0.851 -8.689) 20.557 7.345 ( 19.239 -4.255 -4.100) 20.126 7.624 ( 23.324 2.729 3.808) 23.790 7.786 ( 15.931 0.476 0.809) 15.959 7.945 ( 19.972 1.292 5.294) 20.702 8.381 ( 13.010 7.799 3.132) 15.488 8.595 ( 12.022 6.260 -4.008) 14.134 8.676 ( 9.842 7.895 2.739) 12.911 8.820 ( 13.801 -6.457 2.933) 15.517 8.855 ( 11.566 2.170 -3.219) 12.200 9.084 ( 7.227 -4.378 -3.463) 9.132 9.086 ( 13.691 3.379 3.549) 14.541 9.248 ( 5.415 -4.507 -3.638) 7.929 9.361 ( 11.244 -6.406 0.581) 12.954 9.565 ( -3.084 -2.836 -0.024) 4.190 9.718 ( 0.420 0.279 0.299) 0.586 10.055 ( -3.790 2.160 0.539) 4.395 10.434 ( 1.461 0.074 3.574) 3.862 10.734 ( -3.358 -0.757 -3.959) 5.246 11.006 ( -0.539 -4.263 0.787) 4.368 11.943 ( 4.367 8.256 -3.974) 10.150 12.022 ( -4.385 1.319 -1.848) 4.938 12.314 ( -5.926 -5.184 12.342) 14.640 12.514 ( 2.456 5.558 8.693) 10.606 12.610 ( 3.553 -5.549 -7.962) 10.334 12.935 ( -1.535 -1.965 -1.024) 2.695 13.038 ( 1.346 2.852 0.858) 3.269 13.309 ( 8.127 -2.053 -3.770) 9.191 13.384 ( 8.365 1.443 -2.433) 8.831 13.456 ( 5.479 -0.652 -2.946) 6.255 13.697 ( -4.389 -6.569 -1.205) 7.992 13.775 ( -5.196 -6.840 4.124) 9.529 14.195 ( -6.378 7.080 -4.521) 10.547 14.371 ( -6.761 5.991 2.854) 9.474 14.505 ( 0.659 -0.116 7.330) 7.360 14.624 ( -5.881 2.065 6.784) 9.213 14.809 ( -2.328 -0.191 1.195) 2.624 14.966 ( -2.149 -1.899 -9.359) 9.789 15.081 ( -0.807 1.726 -4.749) 5.117 15.313 ( -5.622 6.273 10.168) 13.204 15.614 ( 2.671 -1.408 4.653) 5.547 15.889 ( -0.878 -4.388 9.631) 10.620 16.066 ( 3.181 3.747 5.591) 7.445 16.172 ( 6.376 0.446 -19.429) 20.454 16.286 ( -0.404 -3.775 -8.522) 9.330 16.639 ( 2.719 -5.664 -5.686) 8.473 17.022 ( 3.239 9.966 -2.182) 10.704 17.282 ( 2.834 -1.943 -0.498) 3.472 17.912 ( -1.532 -0.756 -2.598) 3.109 18.048 ( -1.221 -2.716 2.742) 4.049 18.243 ( -2.742 0.984 5.046) 5.827 18.415 ( -1.051 -3.871 0.875) 4.106 18.578 ( -2.173 0.086 4.333) 4.848 18.715 ( -0.281 1.169 0.674) 1.378 18.977 ( -5.096 0.175 4.641) 6.895 19.082 ( -2.588 0.380 -3.532) 4.395 22.094 ( 8.251 1.080 -1.279) 8.419 22.199 ( 9.289 1.731 0.157) 9.451 22.268 ( 5.229 -1.633 -3.688) 6.604 22.480 ( 5.175 -3.402 4.456) 7.629 27.280 ( -1.356 1.873 -0.630) 2.396 27.342 ( -0.844 0.856 2.036) 2.364 27.418 ( -4.011 -0.385 -0.926) 4.134 27.478 ( -1.610 -1.516 -0.300) 2.231 36.387 ( -5.850 6.717 2.473) 9.244 36.524 ( -1.376 5.955 -4.412) 7.538 37.079 ( -12.055 -3.000 16.225) 20.435 37.283 ( -11.302 -4.800 -9.201) 15.344 38.371 ( -19.089 1.185 -2.208) 19.253 38.421 ( -21.297 -0.168 -13.169) 25.041 38.728 ( -13.428 0.268 -5.036) 14.344 38.929 ( -22.456 -3.461 12.826) 26.092 ======================= Grid point 187 (98/150) ======================= q-point: ( 0.38 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.012 ( 10.152 1.109 8.136) 13.057 4.429 ( 9.457 5.679 4.690) 11.987 4.807 ( 7.534 3.739 -13.897) 16.244 5.159 ( 4.729 -4.679 4.137) 7.834 5.290 ( 4.967 -0.198 13.901) 14.763 5.627 ( 7.826 -3.750 -5.776) 10.425 5.662 ( 6.515 -6.399 9.659) 13.293 6.029 ( 4.342 -3.583 6.492) 8.593 6.225 ( 5.316 -4.035 -1.253) 6.791 6.531 ( 15.236 10.997 -3.475) 19.109 6.735 ( 4.055 -1.195 -4.278) 6.014 6.960 ( 10.922 -0.447 -10.713) 15.305 7.410 ( 19.641 0.273 -5.375) 20.365 7.686 ( 16.387 0.046 -3.364) 16.729 7.946 ( 9.423 7.304 -5.445) 13.107 8.085 ( 13.596 2.433 -0.602) 13.825 8.280 ( 12.991 2.864 -1.892) 13.436 8.620 ( 11.921 1.799 2.486) 12.310 8.726 ( 3.577 5.769 2.006) 7.078 8.869 ( 7.287 0.545 -6.540) 9.806 8.896 ( 1.985 -1.611 2.021) 3.259 9.064 ( 10.564 1.118 -2.657) 10.950 9.193 ( -2.445 1.638 1.026) 3.116 9.247 ( 5.255 -4.745 0.974) 7.147 9.432 ( 6.652 -7.826 -3.663) 10.905 9.503 ( 6.657 -1.964 2.792) 7.481 9.662 ( 14.420 -2.449 4.059) 15.180 9.771 ( 2.323 -3.467 6.599) 7.808 10.069 ( 3.988 0.709 3.855) 5.592 10.484 ( 2.690 -5.176 -1.777) 6.098 10.659 ( -2.736 5.922 -2.249) 6.901 10.958 ( -4.352 0.390 -2.459) 5.014 11.939 ( -3.573 1.541 -0.729) 3.959 12.039 ( 7.160 5.394 -8.244) 12.179 12.243 ( -5.260 -4.606 12.229) 14.087 12.488 ( -3.116 0.646 -0.339) 3.200 12.730 ( 5.354 -3.408 2.793) 6.934 12.892 ( -1.381 -1.523 -2.179) 2.996 13.084 ( 2.210 3.276 6.382) 7.506 13.444 ( 7.213 -1.186 -5.452) 9.119 13.496 ( 4.101 -2.750 -2.410) 5.494 13.572 ( 5.951 -1.075 -2.718) 6.630 13.627 ( -0.937 -2.427 -0.988) 2.783 13.721 ( -1.761 -6.197 3.454) 7.310 14.085 ( -3.316 7.336 -3.476) 8.769 14.274 ( -4.533 8.693 3.727) 10.488 14.467 ( -6.675 3.723 10.176) 12.726 14.532 ( -4.800 2.053 0.429) 5.238 14.748 ( -5.603 -3.386 -0.551) 6.570 14.842 ( -4.537 -0.923 -8.671) 9.829 15.085 ( 0.622 0.106 -0.952) 1.142 15.246 ( -3.803 3.199 7.214) 8.760 15.690 ( 1.890 -0.652 8.358) 8.594 15.884 ( -2.650 -4.704 8.048) 9.691 16.129 ( 1.767 2.703 4.473) 5.517 16.267 ( 9.974 0.806 -18.178) 20.750 16.294 ( 3.782 -5.703 -7.024) 9.806 16.651 ( 1.319 -5.635 -8.074) 9.934 17.089 ( 4.648 8.072 -2.469) 9.636 17.348 ( 3.539 -2.005 -0.267) 4.077 17.902 ( 0.954 0.595 0.275) 1.157 18.044 ( -0.542 -2.737 2.908) 4.030 18.197 ( -3.527 2.127 4.097) 5.810 18.385 ( -2.277 -2.927 0.539) 3.748 18.552 ( -2.252 0.322 3.979) 4.584 18.708 ( -1.057 -0.771 0.784) 1.525 18.907 ( -4.049 1.871 4.265) 6.171 19.028 ( -1.286 0.849 -4.877) 5.115 22.228 ( 5.987 0.659 -0.431) 6.039 22.324 ( 4.136 -1.227 -1.117) 4.457 22.363 ( 4.988 1.656 -0.105) 5.257 22.550 ( 1.283 -2.275 1.419) 2.973 27.259 ( -0.568 1.347 -0.371) 1.508 27.341 ( -0.832 -0.297 2.137) 2.312 27.351 ( -1.790 0.660 -1.260) 2.286 27.452 ( -1.051 -1.313 -0.162) 1.690 36.298 ( -3.966 5.856 2.589) 7.532 36.525 ( 2.785 2.887 -2.725) 4.850 36.906 ( -11.376 -2.837 13.311) 17.738 37.033 ( -11.019 -3.744 -7.830) 14.027 38.026 ( -13.623 0.923 -9.668) 16.731 38.045 ( -14.646 1.241 -3.890) 15.205 38.508 ( -7.454 -0.685 -4.334) 8.650 38.589 ( -16.979 -2.102 10.328) 19.985 ======================= Grid point 188 (99/150) ======================= q-point: ( 0.44 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.182 ( 6.006 -6.603 3.087) 9.444 4.556 ( 0.567 -2.828 2.203) 3.630 4.934 ( 7.925 3.233 -1.358) 8.667 5.243 ( 1.473 1.418 7.994) 8.252 5.395 ( 3.044 6.151 7.219) 9.961 5.614 ( -7.434 6.899 9.168) 13.672 5.798 ( 7.462 -7.938 -3.991) 11.603 6.166 ( 6.004 -11.263 4.644) 13.582 6.341 ( 7.098 -5.539 -2.194) 9.267 6.715 ( 1.504 2.719 3.076) 4.372 6.850 ( 10.357 7.610 -4.923) 13.763 7.068 ( 5.130 4.687 -11.822) 13.714 7.734 ( 14.603 -0.232 -6.366) 15.932 7.880 ( 2.524 9.192 -8.261) 12.614 8.014 ( 3.231 8.318 -4.416) 9.956 8.266 ( 6.011 -5.019 0.058) 7.831 8.439 ( 6.031 8.946 -6.282) 12.485 8.748 ( 0.723 -1.088 2.341) 2.681 8.856 ( -0.780 -7.825 3.718) 8.698 8.922 ( 8.609 3.404 -2.801) 9.672 8.986 ( 6.096 0.044 4.195) 7.400 9.069 ( -7.908 3.176 -0.857) 8.565 9.260 ( 10.056 1.386 -3.750) 10.821 9.316 ( 2.282 -3.403 -2.970) 5.060 9.505 ( 1.165 -3.136 2.392) 4.113 9.584 ( 2.466 -9.203 -2.468) 9.842 9.838 ( 1.439 -2.662 13.242) 13.583 9.990 ( 13.078 -2.790 5.730) 14.548 10.186 ( 5.826 -1.695 1.438) 6.236 10.504 ( 0.080 -7.681 -3.467) 8.428 10.626 ( 0.196 8.459 -2.150) 8.730 10.831 ( -6.648 4.143 -4.429) 8.999 11.870 ( -3.738 1.939 1.378) 4.431 12.107 ( 1.033 0.110 -4.330) 4.453 12.227 ( -0.438 0.531 6.233) 6.271 12.449 ( 1.782 0.248 -4.831) 5.155 12.772 ( -1.454 -4.416 4.383) 6.390 12.909 ( 3.872 -3.784 -4.990) 7.363 13.164 ( 2.135 2.645 11.164) 11.670 13.505 ( -0.660 -1.469 -0.202) 1.623 13.547 ( 4.306 0.353 -6.810) 8.065 13.616 ( 3.512 -4.145 -2.100) 5.824 13.714 ( 0.032 -4.822 4.363) 6.503 13.721 ( 5.666 -1.702 -3.155) 6.705 14.040 ( -0.411 6.741 -2.006) 7.045 14.212 ( -3.919 8.831 4.834) 10.803 14.386 ( -4.156 5.412 7.382) 10.052 14.461 ( -2.094 3.783 1.179) 4.482 14.603 ( -6.665 -2.909 -5.683) 9.229 14.721 ( -5.918 1.665 -3.575) 7.112 15.098 ( 0.164 -3.293 3.349) 4.700 15.209 ( -2.106 -0.400 1.543) 2.641 15.736 ( -0.954 -0.122 10.783) 10.825 15.853 ( -3.363 -4.242 6.664) 8.586 16.161 ( -0.529 4.083 4.838) 6.353 16.353 ( 4.762 -5.416 -5.826) 9.271 16.420 ( 12.302 -2.071 -19.183) 22.883 16.643 ( 1.379 -3.798 -8.622) 9.522 17.178 ( 4.956 5.264 -0.747) 7.268 17.401 ( 2.029 -1.685 -2.022) 3.323 17.945 ( 2.654 0.528 2.703) 3.824 18.038 ( -1.840 -1.924 4.816) 5.503 18.149 ( -2.389 2.917 2.550) 4.552 18.335 ( -2.746 -2.135 -0.497) 3.514 18.519 ( -2.525 0.730 3.565) 4.430 18.673 ( -2.936 -1.845 1.703) 3.864 18.845 ( -3.762 3.609 2.828) 5.931 19.008 ( 1.311 0.188 -5.004) 5.176 22.325 ( 4.152 0.351 0.353) 4.182 22.383 ( 2.274 -0.907 0.692) 2.544 22.431 ( 1.942 1.289 -0.617) 2.411 22.552 ( -0.883 -1.411 -0.831) 1.860 27.254 ( 0.069 0.823 -0.224) 0.856 27.302 ( -1.663 0.376 -0.764) 1.869 27.361 ( 0.809 0.012 1.410) 1.626 27.435 ( -0.750 -0.990 -0.144) 1.250 36.264 ( -0.516 4.337 3.812) 5.797 36.597 ( 3.725 -1.215 -1.219) 4.103 36.748 ( -7.895 -1.298 7.770) 11.153 36.817 ( -7.811 -1.238 -5.895) 9.864 37.799 ( -9.377 1.284 -2.727) 9.849 37.801 ( -6.581 1.246 -7.348) 9.943 38.354 ( -10.715 -0.605 8.076) 13.432 38.411 ( -1.004 -1.693 -3.896) 4.365 ======================= Grid point 189 (100/150) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.281 ( 2.411 -11.247 4.372) 12.305 4.472 ( -7.883 -9.633 -1.369) 12.522 5.058 ( 2.774 0.153 6.990) 7.522 5.226 ( -5.433 7.464 1.678) 9.383 5.369 ( -9.429 0.828 8.494) 12.718 5.633 ( 5.968 14.543 14.010) 21.057 5.943 ( 9.370 -6.195 -3.363) 11.726 6.230 ( -0.784 -10.170 -2.177) 10.430 6.447 ( 3.880 -2.836 -1.805) 5.134 6.695 ( -2.828 -0.417 -3.737) 4.705 6.972 ( 2.408 9.233 -1.005) 9.595 7.118 ( 4.508 8.748 -6.560) 11.827 7.752 ( -7.949 9.368 -12.456) 17.495 7.834 ( -1.565 4.180 -17.363) 17.927 8.096 ( 2.444 4.230 16.106) 16.831 8.332 ( -1.621 -0.796 -2.481) 3.069 8.473 ( 1.586 1.907 -7.967) 8.344 8.700 ( -8.404 -2.053 4.127) 9.585 8.802 ( -1.989 1.541 -1.506) 2.932 8.937 ( -4.488 1.318 5.498) 7.219 9.012 ( 1.367 -0.983 1.324) 2.142 9.173 ( 7.188 0.647 -0.169) 7.219 9.339 ( 1.469 -4.539 -0.823) 4.841 9.387 ( 4.024 -3.863 -4.558) 7.203 9.498 ( -0.575 -6.314 -0.257) 6.346 9.587 ( -0.857 -3.948 -4.674) 6.178 9.922 ( 1.009 -2.290 14.707) 14.919 10.149 ( 1.306 -4.568 5.735) 7.447 10.293 ( 5.145 -3.375 -1.579) 6.353 10.430 ( -6.593 -3.692 -2.098) 7.842 10.626 ( -2.417 7.058 -1.106) 7.542 10.739 ( 2.233 3.834 -6.245) 7.660 11.811 ( -3.318 3.173 4.348) 6.323 12.060 ( -3.591 1.462 -3.538) 5.249 12.227 ( -1.022 1.908 5.169) 5.604 12.549 ( 9.903 -1.167 -9.220) 13.581 12.763 ( -0.470 -3.312 3.117) 4.573 12.957 ( 2.660 -5.060 -5.632) 8.025 13.217 ( -1.451 1.825 10.727) 10.977 13.498 ( -0.132 -0.085 1.204) 1.214 13.570 ( -0.588 -3.537 -2.539) 4.393 13.675 ( -1.490 -5.353 2.165) 5.964 13.693 ( 2.943 -2.465 -5.057) 6.349 13.839 ( 6.741 -0.803 -2.881) 7.375 14.046 ( 0.488 5.101 0.491) 5.148 14.172 ( -0.390 5.959 2.058) 6.317 14.330 ( -5.415 6.313 3.199) 8.911 14.475 ( -0.534 1.433 3.282) 3.621 14.504 ( 2.553 4.908 -2.009) 5.886 14.612 ( -3.589 0.396 -1.613) 3.954 15.099 ( -1.568 -1.501 2.680) 3.448 15.178 ( -1.086 -4.562 0.971) 4.789 15.726 ( -4.210 1.084 9.993) 10.897 15.811 ( -3.199 -3.656 6.791) 8.350 16.136 ( -3.556 5.682 3.433) 7.531 16.419 ( 3.616 -6.523 -4.009) 8.467 16.584 ( 10.862 -2.776 -18.414) 21.558 16.644 ( 2.731 -3.168 -10.723) 11.510 17.260 ( 2.720 1.653 0.742) 3.269 17.402 ( -0.552 0.557 -4.281) 4.352 18.005 ( -0.725 -1.032 5.149) 5.301 18.011 ( -0.245 -1.023 4.723) 4.839 18.129 ( -0.368 3.206 1.319) 3.486 18.288 ( -1.520 -0.708 0.054) 1.678 18.491 ( -1.415 0.322 3.581) 3.864 18.616 ( -3.851 -2.216 4.187) 6.105 18.790 ( -2.288 5.457 0.742) 5.963 19.033 ( 2.745 -0.817 -4.409) 5.258 22.388 ( 1.800 0.187 0.654) 1.924 22.424 ( 1.886 -0.507 1.909) 2.731 22.432 ( -1.345 0.806 -1.085) 1.907 22.518 ( -1.931 -1.015 -2.052) 2.995 27.257 ( 0.164 0.294 -0.031) 0.338 27.279 ( -0.138 0.851 -0.881) 1.232 27.384 ( 0.947 -0.455 1.270) 1.648 27.422 ( -0.404 -0.524 -0.329) 0.739 36.310 ( 3.466 2.209 5.478) 6.849 36.528 ( -7.385 -2.894 0.824) 7.975 36.652 ( -5.419 2.772 0.105) 6.087 36.843 ( 11.217 -1.767 -3.114) 11.775 37.653 ( -4.839 1.336 -1.838) 5.346 37.716 ( -0.415 0.316 -4.383) 4.414 38.238 ( -3.817 1.303 5.851) 7.106 38.441 ( 5.539 -2.659 -3.432) 7.038 ======================= Grid point 190 (101/150) ======================= q-point: (-0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.186 ( -14.055 -8.534 2.815) 16.682 4.394 ( -0.229 -14.897 4.944) 15.697 4.968 ( -13.469 -0.171 -0.579) 13.483 5.127 ( -9.995 -0.484 17.650) 20.289 5.268 ( -0.599 6.885 5.038) 8.553 5.768 ( 2.190 6.474 4.678) 8.282 6.074 ( -1.254 0.714 -11.921) 12.008 6.176 ( 3.973 -3.525 0.472) 5.332 6.450 ( -4.798 -3.591 1.329) 6.139 6.593 ( -4.077 -1.117 -7.178) 8.330 6.943 ( -4.488 7.709 -4.717) 10.091 7.184 ( 1.813 13.499 3.051) 13.958 7.525 ( -10.239 2.780 -14.163) 17.696 7.637 ( -11.440 11.335 -7.437) 17.739 8.126 ( -11.465 -2.015 0.687) 11.661 8.141 ( -10.475 2.359 11.133) 15.468 8.452 ( -1.734 2.173 -9.824) 10.210 8.583 ( -5.015 -2.687 7.037) 9.050 8.692 ( -6.371 1.620 -2.686) 7.101 8.911 ( -4.236 -0.639 3.677) 5.646 9.014 ( -1.852 1.494 2.676) 3.581 9.164 ( -6.824 -2.120 4.524) 8.457 9.346 ( -3.069 -8.053 -2.618) 9.007 9.396 ( -0.702 -3.403 -4.868) 5.981 9.502 ( -1.606 -7.715 -3.364) 8.569 9.573 ( 4.703 -0.913 -3.542) 5.958 9.933 ( -6.121 -1.538 6.649) 9.167 10.121 ( -3.550 -5.930 5.465) 8.811 10.271 ( -7.398 -0.530 -0.153) 7.419 10.374 ( 2.682 -3.021 -2.194) 4.597 10.577 ( -0.117 7.612 -0.640) 7.640 10.808 ( 4.670 0.987 -3.705) 6.042 11.771 ( -2.874 4.345 5.261) 7.404 11.974 ( -3.501 3.880 -2.413) 5.756 12.252 ( 1.773 1.895 4.195) 4.933 12.705 ( 7.597 -3.454 -6.869) 10.809 12.783 ( 2.859 -0.462 -1.603) 3.310 12.969 ( 0.900 -3.606 -4.996) 6.227 13.194 ( -3.558 2.377 6.583) 7.851 13.473 ( -3.885 -3.524 1.732) 5.524 13.511 ( -4.278 -2.424 0.868) 4.994 13.625 ( -2.641 -4.861 2.311) 5.995 13.758 ( 4.000 -2.347 -8.341) 9.543 13.960 ( 6.866 -2.477 -4.482) 8.566 14.039 ( -0.952 2.531 0.375) 2.730 14.164 ( -5.371 9.121 -2.059) 10.783 14.267 ( 3.084 1.338 5.154) 6.153 14.493 ( 2.500 1.558 3.283) 4.411 14.572 ( 0.143 -0.455 1.007) 1.114 14.647 ( 8.511 8.534 2.651) 12.341 15.058 ( -2.524 0.126 -1.021) 2.725 15.189 ( 1.206 -6.898 4.455) 8.299 15.658 ( -5.263 1.085 6.353) 8.321 15.777 ( -3.727 -2.627 8.866) 9.970 16.057 ( -5.530 6.840 3.016) 9.299 16.451 ( 0.850 -6.813 -3.174) 7.563 16.611 ( -0.349 -1.550 -8.728) 8.872 16.736 ( 10.138 -4.679 -22.460) 25.082 17.232 ( -5.691 1.931 -2.805) 6.632 17.392 ( 1.232 1.006 -1.917) 2.491 17.984 ( -1.646 -1.664 4.918) 5.446 18.008 ( -2.920 -3.008 1.713) 4.528 18.166 ( 3.548 3.398 2.263) 5.409 18.287 ( 0.675 1.404 3.386) 3.727 18.503 ( 1.258 -0.685 4.762) 4.973 18.560 ( -3.813 -2.213 6.199) 7.607 18.772 ( 0.414 6.533 -0.540) 6.568 19.072 ( 2.661 -1.477 -3.642) 4.746 22.368 ( -4.410 0.627 -1.453) 4.685 22.392 ( -1.698 0.880 0.855) 2.094 22.456 ( -2.945 -1.272 -1.762) 3.660 22.489 ( 2.758 -0.920 1.534) 3.287 27.257 ( 0.091 0.608 -0.234) 0.657 27.291 ( 1.314 0.370 -0.293) 1.396 27.402 ( 0.551 -0.630 0.283) 0.883 27.422 ( 0.715 -0.191 -0.122) 0.750 36.409 ( -4.388 -0.592 1.411) 4.647 36.424 ( 4.456 -0.422 4.559) 6.389 36.594 ( 0.751 6.696 0.458) 6.753 37.104 ( 16.613 -4.760 -4.656) 17.898 37.594 ( -0.901 1.569 -0.356) 1.844 37.745 ( 4.417 -1.638 -1.481) 4.938 38.251 ( 3.364 3.728 3.819) 6.309 38.598 ( 11.838 -3.556 -3.060) 12.733 ======================= Grid point 191 (102/150) ======================= q-point: (-0.38 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.881 ( -18.429 -5.154 6.965) 20.364 4.343 ( -11.033 -6.244 8.042) 15.013 4.681 ( -12.592 -10.019 -1.001) 16.123 4.955 ( -13.157 -4.700 19.338) 23.857 5.299 ( -1.722 8.965 7.534) 11.836 5.692 ( -6.756 1.618 -17.617) 18.937 5.952 ( -5.840 6.102 -0.719) 8.477 6.169 ( -10.048 -9.252 -8.226) 15.945 6.352 ( -3.477 -1.390 10.948) 11.571 6.500 ( -4.675 -1.522 -4.436) 6.622 6.773 ( -9.580 9.813 -13.643) 19.344 7.044 ( -19.442 15.292 2.024) 24.818 7.304 ( -7.188 1.115 -16.640) 18.161 7.441 ( -7.657 11.911 9.555) 17.082 7.799 ( -15.848 -4.096 -2.319) 16.532 7.974 ( -11.625 4.098 7.633) 14.498 8.330 ( -9.646 -1.331 -2.343) 10.015 8.478 ( -9.788 -3.671 5.484) 11.805 8.572 ( -6.446 -0.225 -1.058) 6.536 8.732 ( -13.391 -3.163 3.166) 14.119 8.957 ( -5.275 4.167 2.036) 7.024 9.056 ( -7.131 2.133 8.583) 11.361 9.152 ( -14.005 -10.466 -7.372) 18.974 9.341 ( -2.390 -1.005 -3.258) 4.164 9.431 ( -4.700 -7.621 -0.240) 8.957 9.641 ( -0.467 1.040 -6.262) 6.364 9.772 ( -6.245 -0.489 -1.478) 6.436 10.116 ( -0.747 -5.244 -0.411) 5.312 10.136 ( -6.308 -0.344 4.243) 7.610 10.380 ( -0.640 -0.376 -1.672) 1.829 10.632 ( 5.650 4.900 -1.048) 7.552 10.880 ( 4.019 -1.680 -0.769) 4.423 11.740 ( -1.919 4.268 4.333) 6.378 11.921 ( -1.572 3.733 0.837) 4.136 12.312 ( 2.650 1.897 1.892) 3.768 12.757 ( 0.757 -1.552 -0.692) 1.860 12.852 ( 3.046 1.631 -5.587) 6.569 12.974 ( 1.545 -0.540 -3.187) 3.583 13.161 ( -0.261 -0.371 -0.492) 0.669 13.375 ( -5.867 -3.957 0.841) 7.126 13.439 ( -3.918 -2.408 5.337) 7.045 13.583 ( -1.996 -4.972 -0.966) 5.444 13.719 ( -5.609 0.395 -11.592) 12.883 13.975 ( -3.617 4.148 -4.106) 6.866 14.054 ( 5.075 -5.285 -4.526) 8.612 14.148 ( 3.022 4.063 8.968) 10.299 14.387 ( 6.195 -0.535 1.830) 6.482 14.579 ( 3.977 -1.485 4.217) 5.984 14.607 ( 2.691 3.744 4.960) 6.772 14.817 ( 6.205 10.322 2.460) 12.292 15.020 ( 1.085 -1.137 -5.233) 5.464 15.262 ( 4.481 -6.287 6.131) 9.859 15.589 ( -3.626 0.138 4.883) 6.084 15.719 ( -5.956 -2.232 8.645) 10.733 15.958 ( -5.817 7.740 4.179) 10.545 16.427 ( -2.107 -8.073 -2.851) 8.817 16.550 ( -1.816 -0.502 -10.614) 10.780 16.816 ( 6.301 -3.973 -21.746) 22.987 17.070 ( -8.703 6.903 -3.250) 11.574 17.404 ( 0.398 -2.166 -1.723) 2.796 17.928 ( -4.172 -3.068 -0.571) 5.210 17.994 ( 0.136 -3.186 4.458) 5.481 18.256 ( 4.452 2.229 1.892) 5.326 18.335 ( 2.474 2.700 5.288) 6.432 18.516 ( -3.423 -1.349 9.526) 10.212 18.581 ( 4.913 -1.523 3.572) 6.262 18.792 ( 1.547 6.205 -0.767) 6.440 19.107 ( 2.076 -1.786 -2.440) 3.668 22.250 ( -7.094 0.518 -1.396) 7.249 22.329 ( -5.285 0.673 -0.075) 5.328 22.367 ( -5.244 0.011 -1.154) 5.369 22.560 ( 3.561 -2.516 1.134) 4.506 27.263 ( 0.641 0.931 -0.267) 1.162 27.321 ( 1.668 -0.067 0.340) 1.704 27.416 ( 1.412 -0.088 -1.051) 1.762 27.446 ( 1.561 -0.578 0.078) 1.666 36.351 ( -1.974 1.457 2.088) 3.222 36.481 ( 2.070 4.660 -1.843) 5.422 36.739 ( 11.319 3.413 6.738) 13.608 37.430 ( 18.176 -7.515 -7.932) 21.207 37.619 ( 4.058 2.428 1.746) 5.041 37.875 ( 9.018 -4.106 2.408) 10.197 38.393 ( 9.890 6.391 2.361) 12.010 38.873 ( 17.535 -4.477 -2.774) 18.309 ======================= Grid point 192 (103/150) ======================= q-point: (-0.31 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( -20.568 -1.093 13.683) 24.728 3.988 ( -25.900 7.039 9.644) 28.520 4.510 ( -7.917 -17.414 1.439) 19.183 4.781 ( -12.772 -10.651 17.511) 24.150 5.148 ( -16.098 10.209 0.290) 19.065 5.510 ( -6.621 2.341 -10.945) 13.004 5.726 ( -15.563 -4.885 -1.740) 16.404 5.948 ( -10.365 1.931 -2.070) 10.744 6.220 ( -15.419 6.430 6.479) 17.919 6.351 ( -12.885 -3.111 -6.646) 14.828 6.413 ( -18.375 3.423 -10.187) 21.287 6.686 ( -14.506 2.767 -5.302) 15.690 7.059 ( -10.915 4.728 -11.120) 16.283 7.253 ( -16.828 4.365 6.370) 18.515 7.572 ( -9.581 1.696 1.695) 9.877 7.834 ( -5.050 6.083 6.160) 10.022 8.051 ( -16.553 -6.269 -2.445) 17.869 8.241 ( -16.377 -4.638 6.770) 18.318 8.357 ( -15.166 -7.675 -0.504) 17.005 8.505 ( -13.721 -0.062 8.102) 15.935 8.787 ( -13.105 5.044 -6.130) 15.322 8.867 ( -9.067 -1.937 3.243) 9.823 8.906 ( -12.718 5.733 8.296) 16.231 9.301 ( -7.333 -7.991 -4.272) 11.657 9.316 ( -0.861 -0.663 -1.580) 1.918 9.523 ( -4.474 7.203 -10.283) 13.328 9.694 ( -3.964 -5.489 -3.538) 7.639 10.003 ( -5.657 5.324 2.260) 8.091 10.081 ( -4.274 -7.284 -5.663) 10.168 10.406 ( 3.852 2.375 2.540) 5.189 10.763 ( 8.561 1.707 -4.866) 9.994 10.968 ( 5.023 -5.098 0.903) 7.214 11.741 ( 0.614 2.919 4.032) 5.015 11.919 ( 0.217 1.925 5.049) 5.408 12.351 ( 1.430 1.695 -2.166) 3.100 12.745 ( -2.524 1.668 0.951) 3.171 12.846 ( -1.072 5.591 -1.733) 5.950 12.985 ( -0.037 1.166 -2.891) 3.118 13.153 ( -0.989 -9.282 -9.656) 13.430 13.270 ( -5.568 0.966 4.260) 7.077 13.400 ( -4.404 -1.173 4.051) 6.098 13.505 ( -5.328 1.353 -12.365) 13.532 13.573 ( 0.678 -4.993 -0.377) 5.053 13.938 ( 0.814 2.703 -1.473) 3.184 14.141 ( 5.201 -5.344 -2.479) 7.859 14.243 ( 2.707 1.011 7.681) 8.207 14.474 ( -0.030 -2.882 5.587) 6.286 14.653 ( 3.028 -3.111 6.465) 7.787 14.721 ( 6.033 5.578 3.478) 8.922 14.858 ( -0.486 7.334 -0.645) 7.378 15.088 ( 6.110 0.156 -8.316) 10.321 15.401 ( 6.468 -3.043 5.970) 9.313 15.566 ( -1.107 -1.729 5.084) 5.482 15.621 ( -5.924 -0.401 9.290) 11.025 15.865 ( -5.255 8.456 3.148) 10.441 16.355 ( -4.169 -10.326 -2.528) 11.420 16.488 ( 0.069 1.914 -9.821) 10.006 16.806 ( -0.365 -0.510 -16.578) 16.590 16.912 ( -5.286 8.644 -3.028) 10.575 17.388 ( -1.311 -4.114 -3.534) 5.580 17.859 ( -2.225 -3.009 0.025) 3.742 18.027 ( 1.741 -5.167 3.394) 6.423 18.339 ( 3.349 1.702 0.650) 3.812 18.410 ( 3.136 2.279 3.178) 5.013 18.502 ( -1.022 0.586 8.747) 8.826 18.721 ( 7.747 -2.324 5.436) 9.746 18.815 ( 1.044 5.457 -1.057) 5.656 19.136 ( 1.746 -1.932 -0.827) 2.732 22.084 ( -9.716 0.170 -0.822) 9.752 22.188 ( -8.772 -0.993 -0.827) 8.867 22.240 ( -7.976 3.008 -0.194) 8.526 22.623 ( 2.663 -4.937 -1.381) 5.777 27.279 ( 1.012 1.199 -0.255) 1.590 27.356 ( 1.801 0.074 0.568) 1.890 27.456 ( 3.214 -0.059 -1.407) 3.509 27.483 ( 2.447 -0.828 -0.421) 2.617 36.343 ( 0.074 4.066 2.931) 5.013 36.538 ( 5.096 8.503 -3.402) 10.481 37.019 ( 14.112 0.708 6.125) 15.401 37.643 ( 6.707 -2.189 4.575) 8.409 37.842 ( 17.985 -3.039 -10.946) 21.272 38.132 ( 16.363 -6.638 8.111) 19.432 38.642 ( 14.825 8.811 1.923) 17.352 39.249 ( 22.102 -5.532 -2.434) 22.913 ======================= Grid point 193 (104/150) ======================= q-point: (-0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( -22.429 2.372 20.776) 30.665 3.506 ( -27.784 10.972 16.857) 34.300 4.340 ( -10.681 -15.928 3.314) 19.462 4.486 ( -23.440 -6.222 2.737) 24.406 4.805 ( -20.413 5.959 18.201) 27.991 5.194 ( -19.976 2.349 -17.477) 26.646 5.440 ( -20.019 6.302 3.020) 21.203 5.674 ( -15.373 1.851 -10.564) 18.744 5.815 ( -22.329 3.218 12.127) 25.612 5.972 ( -16.190 2.358 -13.307) 21.089 6.166 ( -12.541 -2.613 2.586) 13.068 6.397 ( -11.545 -11.349 -10.908) 19.521 6.831 ( -15.190 -4.526 0.538) 15.859 6.928 ( -12.203 1.473 -5.129) 13.318 7.307 ( -18.254 5.315 4.909) 19.636 7.703 ( -13.891 -7.324 7.325) 17.328 7.801 ( -7.790 3.755 -10.756) 13.802 7.919 ( -18.894 -6.814 7.315) 21.376 8.046 ( -14.067 -6.581 3.568) 15.935 8.278 ( -10.305 1.247 5.765) 11.873 8.508 ( -14.338 8.077 -0.984) 16.486 8.625 ( -18.863 7.630 7.479) 21.679 8.739 ( -7.734 3.086 2.500) 8.694 9.054 ( -15.263 -3.469 -10.030) 18.590 9.261 ( -4.033 -0.372 -5.015) 6.446 9.470 ( 2.462 -1.185 -7.297) 7.792 9.632 ( 0.614 -1.846 -2.631) 3.273 9.934 ( -2.691 8.061 -1.340) 8.604 9.991 ( -0.445 -1.479 -2.817) 3.212 10.510 ( 4.630 1.609 4.401) 6.587 10.913 ( 9.898 -1.037 -11.165) 14.957 11.083 ( 7.009 -7.884 -0.691) 10.571 11.789 ( 2.003 0.391 4.743) 5.163 11.960 ( 0.789 0.312 9.893) 9.930 12.355 ( 0.602 1.151 -6.115) 6.251 12.664 ( -5.966 6.613 3.030) 9.408 12.807 ( -2.660 3.516 -7.848) 9.001 12.921 ( -6.484 0.153 -3.259) 7.259 12.975 ( -11.440 -5.447 -6.250) 14.129 13.210 ( -1.748 4.828 5.564) 7.571 13.316 ( -1.704 -2.247 -1.698) 3.292 13.448 ( 0.977 2.806 -11.074) 11.466 13.665 ( 6.693 -10.353 3.044) 12.698 13.995 ( 4.736 -0.028 0.984) 4.837 14.223 ( 2.748 -0.272 0.712) 2.852 14.298 ( 0.316 -3.511 5.432) 6.475 14.423 ( -5.645 -2.838 8.868) 10.889 14.762 ( 4.793 0.550 5.166) 7.068 14.798 ( -0.377 -2.049 3.711) 4.256 14.880 ( 4.073 6.052 -2.895) 7.848 15.118 ( -0.278 -3.306 -8.115) 8.767 15.422 ( -5.892 -5.573 7.015) 10.723 15.590 ( -0.199 5.230 7.662) 9.279 15.638 ( 2.217 1.816 6.163) 6.797 15.801 ( -0.149 9.038 -0.595) 9.059 16.253 ( -4.976 -8.235 -2.599) 9.966 16.510 ( 5.429 2.579 -4.451) 7.480 16.710 ( -2.915 4.434 -10.566) 11.823 16.852 ( -0.163 7.582 -2.559) 8.004 17.328 ( -2.689 -3.603 -4.556) 6.400 17.856 ( 1.559 -3.807 1.001) 4.234 18.087 ( 3.201 -6.929 3.012) 8.205 18.387 ( 1.501 2.139 0.311) 2.631 18.452 ( 0.841 0.165 -0.108) 0.864 18.559 ( 3.477 3.261 5.967) 7.638 18.822 ( 0.088 4.767 -0.668) 4.815 18.917 ( 10.398 -3.520 4.667) 11.929 19.175 ( 2.478 -2.085 0.922) 3.367 21.871 ( -12.004 -0.289 -0.040) 12.007 21.993 ( -11.060 -1.739 0.171) 11.197 22.048 ( -11.791 4.949 -0.788) 12.812 22.632 ( -0.993 -8.283 -6.346) 10.482 27.299 ( 1.214 1.636 -0.171) 2.045 27.398 ( 2.431 0.733 0.194) 2.547 27.527 ( 4.436 -0.379 -0.971) 4.557 27.539 ( 3.653 -1.084 -1.036) 3.948 36.374 ( 1.730 6.584 3.807) 7.800 36.650 ( 7.601 10.804 -3.554) 13.680 37.284 ( 11.055 -0.729 -0.460) 11.088 37.846 ( 11.422 -1.790 15.827) 19.600 38.136 ( 17.034 -2.159 -9.495) 19.620 38.564 ( 24.220 -7.608 7.360) 26.432 38.969 ( 17.740 10.498 2.718) 20.792 39.698 ( 24.742 -6.782 -1.780) 25.716 ======================= Grid point 194 (105/150) ======================= q-point: (-0.19 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -24.968 3.344 27.029) 36.948 3.060 ( -26.365 12.817 25.694) 38.982 3.955 ( -27.983 -7.150 1.518) 28.922 4.127 ( -16.515 -2.390 11.238) 20.118 4.478 ( -20.965 10.203 26.068) 34.974 4.661 ( -28.230 3.463 -7.962) 29.535 5.000 ( -18.745 3.514 -26.803) 32.895 5.221 ( -25.476 1.494 6.439) 26.319 5.474 ( -22.426 1.693 -3.717) 22.795 5.701 ( -6.855 0.242 -3.805) 7.844 5.901 ( -17.092 0.790 2.546) 17.299 6.218 ( -3.637 -19.644 -9.177) 21.985 6.453 ( -18.761 -9.852 4.146) 21.592 6.691 ( -14.744 -4.596 -0.838) 15.467 7.084 ( -5.666 3.114 7.667) 10.029 7.411 ( -17.167 -5.240 3.088) 18.212 7.525 ( -15.514 -5.696 -6.264) 17.673 7.603 ( -14.979 -10.383 4.972) 18.892 7.883 ( -5.437 5.269 -5.890) 9.592 8.122 ( -12.354 3.052 5.590) 13.899 8.229 ( -13.530 6.683 -2.921) 15.370 8.268 ( -16.865 8.809 3.581) 19.361 8.530 ( -14.864 0.226 -2.017) 15.002 8.707 ( -12.958 2.208 -10.682) 16.938 9.200 ( 0.014 1.509 -3.230) 3.565 9.484 ( 0.138 -5.036 -2.237) 5.512 9.727 ( 10.676 1.112 -6.767) 12.688 9.918 ( 1.697 9.001 1.798) 9.335 10.056 ( 6.863 2.591 0.564) 7.357 10.604 ( 3.229 1.003 5.831) 6.741 11.064 ( 11.044 -2.685 -16.478) 20.018 11.241 ( 10.310 -9.184 -4.210) 14.435 11.812 ( -2.254 -2.195 3.382) 4.620 11.978 ( -5.045 -1.887 9.655) 11.056 12.323 ( -2.169 1.621 -3.034) 4.067 12.570 ( -13.697 -3.640 -9.467) 17.043 12.590 ( -0.994 10.070 -2.113) 10.337 12.787 ( -5.173 0.171 0.973) 5.266 12.834 ( -3.820 2.213 -2.608) 5.128 13.224 ( 0.207 7.317 4.176) 8.427 13.291 ( -0.091 -0.721 -2.515) 2.618 13.448 ( 3.012 -0.041 -9.696) 10.154 13.797 ( 4.446 -12.419 3.943) 13.767 14.074 ( 0.020 -3.857 3.786) 5.405 14.217 ( -3.508 0.424 2.549) 4.356 14.278 ( -0.885 -3.044 8.032) 8.635 14.468 ( 7.255 -2.197 1.936) 7.823 14.725 ( -7.257 1.469 2.485) 7.810 14.858 ( 0.035 7.674 -2.628) 8.111 14.928 ( 1.560 -8.027 5.243) 9.714 15.028 ( -5.429 -8.434 -4.994) 11.204 15.372 ( -1.942 -10.099 11.194) 15.201 15.541 ( -4.487 11.026 2.117) 12.091 15.674 ( -1.000 4.468 5.058) 6.822 15.800 ( -3.322 0.747 -2.229) 4.069 16.192 ( -0.424 -1.201 1.382) 1.880 16.609 ( 0.702 8.921 -9.518) 13.064 16.681 ( 8.628 4.090 -2.796) 9.949 16.883 ( 2.763 8.777 1.685) 9.354 17.316 ( 5.451 1.607 -1.403) 5.854 17.911 ( 3.287 -4.945 1.263) 6.070 18.174 ( 4.730 -7.870 2.814) 9.603 18.404 ( 0.306 2.542 -0.421) 2.595 18.458 ( 0.337 0.289 -2.298) 2.341 18.649 ( 3.922 4.430 2.005) 6.247 18.821 ( 0.436 3.882 -0.336) 3.921 19.132 ( 8.319 -6.022 4.357) 11.156 19.266 ( 8.003 -2.004 1.600) 8.404 21.625 ( -13.329 -0.476 0.510) 13.347 21.767 ( -13.066 -2.873 2.130) 13.547 21.781 ( -14.437 6.257 -2.311) 15.904 22.504 ( -9.381 -11.891 -13.680) 20.409 27.326 ( 1.614 2.472 0.284) 2.966 27.452 ( 3.131 1.566 -0.339) 3.517 27.614 ( 4.590 -0.650 -0.463) 4.659 27.616 ( 4.691 -1.401 -1.380) 5.087 36.435 ( 2.792 8.421 5.211) 10.290 36.795 ( 8.496 12.771 -4.278) 15.924 37.432 ( 5.411 -1.175 -2.206) 5.960 38.153 ( 13.743 -10.587 1.666) 17.428 38.522 ( 25.023 7.895 16.578) 31.037 39.080 ( 25.725 -5.233 5.184) 26.759 39.338 ( 18.928 10.266 4.310) 21.960 40.173 ( 24.284 -8.164 -0.530) 25.625 ======================= Grid point 195 (106/150) ======================= q-point: (-0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -31.151 2.220 28.967) 42.595 2.701 ( -21.442 15.266 34.921) 43.729 3.451 ( -22.833 -8.700 -2.413) 24.553 3.868 ( -16.872 20.805 42.991) 50.653 4.045 ( -27.440 2.633 -1.266) 27.595 4.317 ( -8.772 -1.592 8.901) 12.597 4.497 ( -22.341 3.059 -16.887) 28.172 4.870 ( -10.729 0.182 -8.376) 13.613 4.993 ( -23.929 5.541 -3.910) 24.872 5.408 ( -22.035 -1.754 -5.274) 22.725 5.671 ( -6.923 3.473 4.635) 9.026 6.026 ( -9.929 -21.025 -10.530) 25.524 6.331 ( -1.165 -13.082 10.994) 17.128 6.448 ( -8.724 -9.398 2.936) 13.155 6.953 ( -14.830 -0.793 7.090) 16.457 7.176 ( -5.434 -3.646 -3.605) 7.471 7.214 ( -13.461 -7.335 2.886) 15.599 7.396 ( -8.193 -13.486 0.467) 15.787 7.744 ( -4.927 7.487 -11.558) 14.626 7.776 ( -20.480 5.391 2.591) 21.335 7.936 ( -12.543 9.195 -6.082) 16.699 8.099 ( -6.937 1.409 2.024) 7.362 8.190 ( -14.630 -1.052 -13.998) 20.275 8.531 ( -2.897 6.392 -9.341) 11.684 9.231 ( 3.052 3.006 2.289) 4.857 9.476 ( -0.375 -1.960 1.233) 2.346 9.966 ( 16.057 1.087 -7.333) 17.686 9.998 ( 3.882 7.137 8.559) 11.801 10.253 ( 13.569 2.523 -1.421) 13.874 10.691 ( 3.584 1.425 7.261) 8.221 11.218 ( 11.298 -4.027 -17.075) 20.867 11.435 ( 11.127 -9.986 -7.645) 16.792 11.687 ( -10.942 -3.062 -4.237) 12.127 11.802 ( -13.725 -2.441 3.615) 14.401 12.252 ( -4.625 1.865 0.073) 4.988 12.331 ( -8.610 -2.627 -0.602) 9.022 12.572 ( -4.773 5.031 -0.451) 6.950 12.737 ( 4.224 5.254 -4.564) 8.141 12.822 ( 2.448 0.980 1.932) 3.268 13.218 ( -1.344 6.272 1.106) 6.509 13.324 ( 3.978 2.466 0.592) 4.718 13.468 ( 1.238 0.005 -4.942) 5.094 13.826 ( -3.434 -14.455 3.881) 15.356 14.015 ( -5.771 -5.068 8.040) 11.119 14.183 ( -0.579 -2.016 0.717) 2.216 14.372 ( 7.267 -4.758 1.217) 8.771 14.514 ( -13.232 1.146 2.875) 13.589 14.636 ( 2.882 4.841 -0.636) 5.669 14.743 ( -5.393 2.308 -1.792) 6.134 14.874 ( -4.909 -9.882 -1.867) 11.191 15.026 ( 1.716 -6.782 6.432) 9.503 15.384 ( -2.927 -10.903 11.109) 15.838 15.479 ( -3.193 4.488 2.203) 5.932 15.590 ( -7.099 2.187 -1.062) 7.503 15.732 ( -2.476 -1.553 6.480) 7.108 16.191 ( -0.601 -1.910 0.468) 2.056 16.566 ( -0.927 13.228 -7.490) 15.230 16.863 ( 8.375 8.709 -3.942) 12.710 16.955 ( 4.634 12.273 1.676) 13.225 17.619 ( 24.989 6.674 4.453) 26.246 17.976 ( 2.593 -4.292 1.071) 5.127 18.283 ( 5.319 -7.340 1.440) 9.179 18.388 ( -1.408 2.482 -3.155) 4.254 18.460 ( 1.158 0.715 -2.133) 2.531 18.717 ( 2.828 6.812 -0.042) 7.376 18.861 ( 4.388 2.061 1.039) 4.958 19.250 ( 3.271 -6.713 5.625) 9.349 19.494 ( 12.903 -3.932 -0.710) 13.507 21.371 ( -12.637 0.001 0.108) 12.638 21.459 ( -16.291 3.307 -1.055) 16.657 21.541 ( -11.962 -1.526 1.351) 12.135 22.132 ( -23.183 -12.941 -19.125) 32.721 27.368 ( 2.496 3.598 1.311) 4.571 27.512 ( 3.127 2.378 -0.893) 4.028 27.695 ( 3.525 -0.778 0.368) 3.629 27.703 ( 4.790 -1.700 -1.841) 5.406 36.515 ( 2.956 9.551 6.908) 12.153 36.933 ( 7.409 14.678 -6.259) 17.593 37.504 ( 2.295 -1.935 2.844) 4.135 38.346 ( 9.043 -13.786 -13.720) 21.450 39.273 ( 41.812 10.103 32.347) 53.821 39.553 ( 20.107 1.980 8.330) 21.854 39.731 ( 20.033 5.141 3.651) 21.002 40.605 ( 19.323 -9.524 1.455) 21.592 ======================= Grid point 196 (107/150) ======================= q-point: (-0.06 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -26.400 6.277 33.671) 43.245 2.490 ( -15.090 19.657 40.538) 47.513 3.119 ( -8.177 -10.449 -6.773) 14.896 3.580 ( -17.867 -4.787 -4.190) 18.966 3.846 ( -6.250 20.888 49.630) 54.208 4.060 ( -12.420 8.131 5.918) 15.981 4.268 ( -1.290 0.455 -9.214) 9.315 4.572 ( -17.475 7.488 0.312) 19.014 4.721 ( -2.377 -2.393 -5.280) 6.265 5.008 ( -14.714 0.107 -4.545) 15.400 5.556 ( -6.920 2.123 5.813) 9.283 5.876 ( -2.477 -22.848 -7.054) 24.040 6.271 ( -5.042 -6.743 -3.600) 9.157 6.374 ( -6.251 -15.272 10.081) 19.338 6.727 ( -7.667 -0.378 9.695) 12.366 6.972 ( -6.614 -5.865 -10.590) 13.795 7.129 ( -4.778 -8.181 1.069) 9.534 7.263 ( -5.114 -12.405 2.279) 13.610 7.442 ( -10.966 6.064 -7.383) 14.544 7.676 ( 0.506 5.056 -1.797) 5.390 7.725 ( -7.728 6.805 0.584) 10.314 7.867 ( -8.020 8.174 -34.753) 36.592 8.015 ( -4.673 -7.526 7.534) 11.629 8.470 ( -0.413 6.068 -12.059) 13.506 9.313 ( 3.097 4.043 5.402) 7.424 9.484 ( 0.215 -0.009 3.857) 3.863 10.100 ( 2.017 0.308 10.532) 10.728 10.264 ( 15.849 1.440 -7.275) 17.498 10.551 ( 17.304 3.048 -3.646) 17.945 10.790 ( 3.588 2.995 5.744) 7.405 11.360 ( 2.857 -3.883 -3.337) 5.864 11.475 ( 1.940 -3.683 -16.809) 17.317 11.509 ( -13.767 -3.595 0.050) 14.229 11.593 ( 5.013 -9.385 -6.624) 12.533 12.114 ( -11.873 -4.169 -2.849) 12.902 12.152 ( -10.968 0.557 -0.274) 10.985 12.527 ( 4.236 5.297 0.563) 6.806 12.786 ( -0.805 10.268 -1.513) 10.410 12.953 ( 8.553 -5.139 5.580) 11.432 13.207 ( 0.026 5.217 0.801) 5.278 13.410 ( -0.125 -0.018 4.519) 4.520 13.492 ( 5.985 3.336 0.292) 6.859 13.726 ( -6.452 -12.247 2.886) 14.140 13.936 ( -5.745 -3.912 4.116) 8.078 14.156 ( -4.428 -3.149 -0.840) 5.498 14.264 ( -11.496 1.990 0.595) 11.682 14.432 ( -6.465 0.702 -1.972) 6.795 14.548 ( 7.025 -2.514 0.570) 7.483 14.768 ( -4.451 -7.239 -2.468) 8.849 14.880 ( 7.687 0.052 4.635) 8.976 15.057 ( -1.008 -5.353 6.599) 8.556 15.273 ( -8.143 4.796 -0.093) 9.450 15.419 ( -2.727 -11.713 4.652) 12.895 15.544 ( -2.577 -3.250 6.073) 7.354 15.706 ( -1.871 -3.556 8.872) 9.740 16.198 ( 1.343 -4.865 0.770) 5.106 16.526 ( -0.767 15.462 -2.938) 15.757 16.942 ( 1.935 12.820 -6.385) 14.452 17.080 ( 6.763 16.512 3.279) 18.142 18.002 ( -0.506 -0.701 -0.784) 1.167 18.143 ( 20.081 1.285 -6.683) 21.203 18.337 ( -0.521 -6.843 -0.696) 6.898 18.376 ( 2.970 0.350 -1.132) 3.198 18.493 ( 3.409 3.754 -4.036) 6.481 18.810 ( 8.910 4.818 3.800) 10.819 19.016 ( 11.030 2.100 0.694) 11.249 19.311 ( 0.407 -6.005 6.948) 9.193 19.667 ( 3.495 -4.424 -4.960) 7.509 21.159 ( -7.748 0.907 -1.009) 7.866 21.196 ( -9.235 0.881 0.284) 9.281 21.329 ( -9.913 -2.152 0.671) 10.166 21.524 ( -29.431 -6.886 -11.247) 32.251 27.430 ( 2.925 4.320 2.143) 5.640 27.558 ( 1.901 2.944 -1.468) 3.799 27.744 ( 1.185 -0.940 1.067) 1.851 27.779 ( 3.511 -1.814 -1.973) 4.417 36.595 ( 2.218 10.138 8.428) 13.369 37.021 ( 4.348 16.149 -8.558) 18.787 37.552 ( 0.406 -3.289 9.102) 9.687 38.413 ( 4.113 -12.981 -18.288) 22.801 39.834 ( 10.150 10.261 8.446) 16.722 40.093 ( 15.011 2.418 0.531) 15.214 40.350 ( 48.569 -6.115 22.824) 54.011 40.897 ( 9.022 -10.695 3.672) 14.466 ======================= Grid point 197 (108/150) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 5.050 21.703 24.935) 33.441 2.643 ( 6.727 -20.634 16.757) 27.419 3.112 ( -3.554 29.585 19.767) 35.758 3.451 ( 0.149 11.787 -15.308) 19.321 3.597 ( 0.616 -13.581 -10.765) 17.341 3.952 ( 0.153 -26.897 12.723) 29.755 4.554 ( -1.603 7.891 -2.288) 8.371 4.629 ( 1.909 3.454 1.612) 4.263 4.787 ( 3.632 12.589 -20.582) 24.399 5.063 ( 2.180 2.984 13.735) 14.224 5.362 ( 1.059 5.181 9.603) 10.963 5.582 ( -3.761 -0.006 14.161) 14.652 5.899 ( -6.044 -5.669 5.168) 9.766 6.131 ( 2.036 -20.830 23.389) 31.385 6.617 ( -0.775 -0.151 6.471) 6.519 6.708 ( 1.945 -7.043 -4.902) 8.798 6.994 ( -0.469 -0.290 -0.056) 0.555 7.027 ( -0.014 -4.994 5.414) 7.366 7.450 ( -0.060 5.587 -6.152) 8.311 7.565 ( -2.130 -4.293 -6.047) 7.716 7.697 ( -3.085 0.403 -2.395) 3.926 7.745 ( 0.174 -4.136 -2.529) 4.851 8.108 ( 0.799 15.860 -19.795) 25.378 8.395 ( -0.609 -7.517 -17.000) 18.598 9.460 ( -3.664 6.731 4.827) 9.057 9.594 ( -0.101 -0.508 -0.601) 0.793 10.093 ( -1.623 7.354 1.661) 7.712 10.342 ( 4.511 -9.959 -8.759) 14.009 10.908 ( 2.718 4.812 -0.737) 5.576 10.955 ( 7.504 3.701 -2.693) 8.790 11.239 ( -3.204 -4.290 -3.482) 6.387 11.260 ( 2.275 -5.340 -4.744) 7.497 11.418 ( -1.023 -1.666 -6.430) 6.720 11.474 ( 1.239 -6.635 -10.950) 12.863 11.890 ( -2.146 -0.010 0.646) 2.241 11.901 ( -3.709 -0.875 0.135) 3.813 12.772 ( 1.802 6.416 3.759) 7.652 12.882 ( -3.897 1.102 -2.411) 4.713 13.009 ( -0.046 2.117 12.540) 12.718 13.190 ( -5.720 -9.179 7.744) 13.302 13.370 ( -1.720 7.872 4.325) 9.145 13.533 ( -1.769 -5.907 3.749) 7.217 13.678 ( 1.813 5.275 1.960) 5.913 13.847 ( 7.836 -6.429 -4.222) 10.980 14.085 ( 2.967 0.237 0.194) 2.982 14.115 ( -1.063 -2.451 -0.540) 2.725 14.392 ( 1.067 -0.092 -1.325) 1.704 14.414 ( -2.133 -2.996 -2.052) 4.212 14.786 ( 3.190 2.093 3.788) 5.376 14.840 ( 0.336 -2.762 1.402) 3.116 15.158 ( 2.970 1.053 6.449) 7.178 15.189 ( -4.544 -1.156 4.099) 6.228 15.328 ( 1.744 -0.969 7.228) 7.498 15.346 ( -4.108 -1.917 4.305) 6.252 15.826 ( 1.356 7.833 0.136) 7.950 16.031 ( 0.127 -9.693 -4.408) 10.649 16.974 ( -0.544 22.748 0.726) 22.766 17.209 ( -0.637 9.031 -9.957) 13.458 17.535 ( -2.191 7.232 19.977) 21.358 17.816 ( -2.173 -17.974 8.126) 19.845 18.050 ( 2.424 0.582 -6.884) 7.322 18.176 ( -0.489 -6.350 -0.493) 6.388 18.474 ( 1.189 4.511 -2.140) 5.133 18.617 ( 3.718 -5.827 -11.032) 13.018 18.950 ( -1.503 6.675 6.546) 9.469 19.139 ( -0.448 -8.248 8.297) 11.708 19.347 ( -4.041 8.930 -13.828) 16.950 19.522 ( -2.672 -6.022 -10.314) 12.238 21.116 ( 1.328 0.525 -0.129) 1.434 21.128 ( 0.737 -0.189 0.558) 0.944 21.149 ( 2.633 -0.471 -2.026) 3.356 21.164 ( -1.408 -1.580 -1.183) 2.424 27.585 ( 0.592 4.394 1.400) 4.650 27.630 ( 0.691 1.196 -0.766) 1.580 27.718 ( -1.699 -0.378 1.072) 2.044 27.759 ( 0.326 -3.006 -0.862) 3.144 36.942 ( 0.337 14.407 9.431) 17.223 37.206 ( 0.411 -6.513 3.172) 7.256 37.657 ( -0.965 15.336 -4.011) 15.882 38.048 ( -0.333 -17.597 -13.685) 22.295 40.244 ( -0.332 14.971 6.662) 16.390 40.384 ( 2.989 6.880 2.371) 7.867 40.639 ( 0.566 -16.099 2.324) 16.275 40.664 ( 2.883 -13.987 2.667) 14.528 ======================= Grid point 198 (109/150) ======================= q-point: ( 0.06 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 25.092 20.337 19.908) 37.942 2.990 ( 19.251 -12.563 18.811) 29.703 3.173 ( 5.630 21.717 11.849) 25.371 3.554 ( 16.326 8.506 -17.450) 25.366 3.682 ( 9.887 -10.603 -8.181) 16.646 4.061 ( 8.062 -22.388 5.561) 24.437 4.652 ( 11.630 8.498 -4.890) 15.211 4.793 ( 13.417 -1.249 -6.697) 15.048 4.842 ( 10.147 6.583 -10.793) 16.211 5.142 ( 6.349 -14.478 -10.786) 19.138 5.540 ( 5.309 15.224 35.780) 39.245 5.586 ( 0.614 3.581 15.799) 16.212 5.884 ( 3.096 3.428 12.691) 13.506 6.331 ( 8.614 -20.858 27.805) 35.811 6.686 ( 5.909 1.435 -0.446) 6.097 6.800 ( 9.431 -7.371 -7.461) 14.105 7.010 ( 1.925 2.333 -4.609) 5.513 7.076 ( 2.133 -5.945 -1.590) 6.513 7.517 ( 10.219 2.340 -7.946) 13.155 7.553 ( 7.017 1.010 -15.144) 16.721 7.711 ( 4.305 2.170 8.614) 9.871 7.817 ( 6.081 -5.761 3.491) 9.075 8.111 ( 6.524 11.676 -13.800) 19.218 8.334 ( 1.294 -5.110 -15.891) 16.742 9.381 ( -5.579 3.808 3.499) 7.607 9.518 ( -7.182 -5.179 1.706) 9.017 10.067 ( -1.538 13.049 -1.412) 13.215 10.319 ( -3.496 -6.376 -5.393) 9.053 10.835 ( -5.857 3.273 -9.261) 11.436 10.968 ( -4.842 -2.018 -0.003) 5.246 11.075 ( -15.073 -2.425 -7.334) 16.937 11.206 ( -12.415 -7.204 -1.888) 14.477 11.396 ( 10.119 3.903 -2.466) 11.123 11.515 ( 12.198 -6.127 -1.917) 13.785 12.036 ( 13.447 1.552 -2.059) 13.691 12.112 ( 17.707 -4.910 -3.128) 18.640 12.695 ( -9.209 5.016 4.558) 11.435 12.750 ( -6.670 1.928 -3.576) 7.810 13.002 ( -5.136 1.330 12.690) 13.754 13.123 ( -5.399 -7.141 8.473) 12.326 13.358 ( -0.172 8.535 1.649) 8.695 13.548 ( 2.752 -8.278 1.743) 8.896 13.707 ( 0.728 9.978 -2.391) 10.286 13.968 ( 4.663 -11.291 -3.342) 12.665 14.174 ( 4.134 4.543 -1.353) 6.290 14.306 ( 14.384 -0.347 1.037) 14.425 14.333 ( -4.470 -5.402 -1.131) 7.102 14.375 ( 4.125 -3.040 1.431) 5.320 14.830 ( 1.139 3.081 -0.107) 3.287 14.914 ( 1.903 -3.313 3.058) 4.894 15.132 ( -0.210 3.864 6.522) 7.583 15.253 ( 4.938 -4.923 8.300) 10.840 15.347 ( -0.048 3.394 1.273) 3.625 15.396 ( 3.261 -0.541 4.749) 5.786 15.870 ( 2.783 3.523 -0.401) 4.507 16.018 ( 1.011 -9.088 -6.969) 11.497 16.938 ( -3.509 21.333 2.231) 21.734 17.126 ( -3.835 12.238 -8.870) 15.593 17.468 ( -11.777 0.950 16.682) 20.442 17.728 ( -9.505 -19.962 5.206) 22.714 18.053 ( 0.655 7.281 -0.544) 7.331 18.167 ( -0.231 -4.405 0.520) 4.441 18.471 ( -0.937 3.861 -3.279) 5.152 18.562 ( -4.653 -0.855 -15.335) 16.048 18.904 ( -5.504 7.335 6.728) 11.373 19.081 ( -9.302 -0.959 -1.168) 9.424 19.194 ( -3.458 -0.431 4.352) 5.575 19.376 ( -7.997 -10.178 -5.701) 14.144 21.196 ( 8.683 2.032 -0.190) 8.920 21.246 ( 10.721 -1.728 0.884) 10.895 21.286 ( 13.140 1.920 -3.186) 13.657 21.374 ( 16.543 -5.241 -5.108) 18.090 27.566 ( -2.684 3.954 1.104) 4.905 27.625 ( -0.861 1.231 -1.296) 1.984 27.664 ( -4.199 0.397 1.573) 4.501 27.736 ( -2.353 -3.411 -0.689) 4.201 36.954 ( -2.684 13.602 9.031) 16.546 37.185 ( -3.375 -3.515 0.816) 4.941 37.604 ( -3.699 12.284 0.015) 12.829 37.954 ( -4.013 -15.935 -13.727) 21.411 40.131 ( -12.785 13.086 4.110) 18.751 40.292 ( -12.793 7.421 1.500) 14.866 40.445 ( -16.520 -12.656 -1.574) 20.871 40.566 ( -16.499 -15.513 6.099) 23.454 ======================= Grid point 199 (110/150) ======================= q-point: ( 0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 30.476 19.180 11.444) 37.784 3.289 ( 8.670 26.002 24.512) 36.771 3.597 ( 28.437 -16.875 8.550) 34.154 3.831 ( 10.673 -17.947 -7.504) 22.188 3.933 ( 24.815 12.807 -14.848) 31.627 4.315 ( 16.839 -16.750 -3.064) 23.948 4.831 ( 9.493 4.744 -14.444) 17.923 5.019 ( 13.316 -3.250 -9.591) 16.730 5.123 ( 18.301 2.688 -5.514) 19.302 5.352 ( 19.376 -12.117 -4.109) 23.219 5.715 ( 11.490 3.719 14.654) 18.989 5.804 ( 9.913 -2.263 17.509) 20.247 6.163 ( 14.819 20.202 35.033) 43.070 6.622 ( 9.318 -11.062 19.503) 24.280 6.816 ( 8.554 -1.944 -6.923) 11.175 6.932 ( 2.869 -6.234 -16.646) 18.005 7.059 ( 8.390 0.826 -5.781) 10.223 7.100 ( 7.452 -6.257 1.224) 9.808 7.778 ( 19.419 5.426 -8.989) 22.076 7.800 ( 19.438 1.600 0.505) 19.510 7.914 ( 12.959 -0.122 7.896) 15.176 7.989 ( 10.898 -4.004 1.088) 11.661 8.263 ( 13.283 6.038 -8.818) 17.048 8.351 ( 6.267 0.863 -11.843) 13.427 9.282 ( -5.437 -0.311 1.177) 5.572 9.363 ( -8.817 -5.950 1.164) 10.701 9.995 ( -5.554 12.702 -3.344) 14.260 10.188 ( -8.022 -3.492 -4.081) 9.654 10.650 ( -8.152 4.484 -9.929) 13.607 10.790 ( -11.090 4.726 -0.265) 12.058 10.840 ( -7.450 -9.405 -3.913) 12.620 10.962 ( -11.073 -7.702 4.300) 14.157 11.660 ( 15.289 3.943 -1.741) 15.885 11.781 ( 14.287 -6.393 -0.745) 15.670 12.250 ( 7.143 4.296 -2.946) 8.841 12.402 ( 12.040 -8.194 -5.244) 15.479 12.546 ( -5.773 7.142 3.071) 9.683 12.665 ( 0.739 -2.265 -2.864) 3.725 12.945 ( -4.286 2.375 8.169) 9.526 13.045 ( -4.468 -5.161 5.159) 8.556 13.367 ( 0.002 10.144 1.400) 10.240 13.583 ( -1.023 -6.789 0.740) 6.905 13.702 ( 0.582 7.447 -4.294) 8.616 13.965 ( -4.999 -12.926 -2.842) 14.148 14.176 ( 1.252 3.552 1.467) 4.042 14.289 ( 2.510 -6.207 -1.264) 6.814 14.586 ( 11.736 1.263 1.870) 11.951 14.620 ( 13.801 -1.158 2.421) 14.059 14.814 ( -3.302 3.235 2.808) 5.408 14.913 ( -0.059 -4.714 2.118) 5.168 15.220 ( 4.042 8.334 -0.346) 9.269 15.333 ( -0.677 6.426 5.504) 8.488 15.389 ( 5.248 -5.225 2.101) 7.698 15.485 ( 3.090 -5.294 11.442) 12.981 15.907 ( 2.452 3.264 -6.627) 7.784 16.038 ( 4.396 -8.801 -8.825) 13.216 16.869 ( -4.531 18.486 3.525) 19.357 17.011 ( -5.452 17.805 -5.641) 19.457 17.235 ( -15.556 -4.899 9.890) 19.074 17.510 ( -13.348 -19.013 1.255) 23.265 18.081 ( 0.790 9.052 5.306) 10.522 18.169 ( 0.355 -1.543 -0.791) 1.769 18.364 ( -8.806 2.551 -10.794) 14.162 18.408 ( -3.657 -1.159 -5.504) 6.709 18.814 ( -5.818 5.789 6.800) 10.659 18.911 ( -7.625 0.566 0.415) 7.658 19.153 ( -3.251 -4.492 4.534) 7.163 19.228 ( -5.484 -8.841 -0.402) 10.412 21.443 ( 15.520 3.642 1.467) 16.009 21.516 ( 14.978 0.438 0.233) 14.986 21.562 ( 16.040 -0.776 -1.011) 16.090 21.669 ( 15.627 -7.022 -8.436) 19.097 27.504 ( -3.833 3.721 0.977) 5.430 27.576 ( -5.323 0.350 2.006) 5.699 27.587 ( -2.325 1.018 -1.836) 3.132 27.668 ( -4.229 -3.163 -0.824) 5.345 36.905 ( -5.557 12.183 7.709) 15.451 37.087 ( -6.416 -0.366 -1.189) 6.536 37.513 ( -6.464 8.409 3.507) 11.171 37.796 ( -7.040 -13.527 -12.574) 19.765 39.799 ( -21.678 9.226 -0.341) 23.562 39.945 ( -22.892 4.141 3.969) 23.600 40.023 ( -24.164 -7.120 -7.134) 26.182 40.162 ( -26.279 -11.189 10.611) 30.469 ======================= Grid point 200 (111/150) ======================= q-point: ( 0.19 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( 11.168 26.755 15.067) 32.673 3.822 ( 22.665 9.669 15.844) 29.295 4.012 ( 16.098 -8.972 -7.717) 19.979 4.171 ( 23.792 -14.998 13.585) 31.234 4.384 ( 25.709 5.164 -16.178) 30.811 4.643 ( 18.227 -12.696 -4.815) 22.729 4.961 ( 9.224 4.710 -10.511) 14.756 5.209 ( 12.122 -13.307 -12.713) 22.037 5.507 ( 20.811 11.067 1.701) 23.632 5.737 ( 20.473 -7.291 1.182) 21.765 6.121 ( 18.600 -1.429 6.204) 19.659 6.155 ( 26.849 -2.595 5.077) 27.448 6.592 ( 14.062 16.083 26.204) 33.809 6.705 ( 1.284 2.965 -10.432) 10.921 6.883 ( 3.391 -5.190 -18.367) 19.385 7.029 ( 12.069 -12.429 8.081) 19.116 7.278 ( 17.324 6.785 4.086) 19.049 7.466 ( 22.494 -10.856 11.376) 27.445 8.134 ( 18.980 7.843 -9.156) 22.485 8.185 ( 15.371 3.944 11.710) 19.722 8.259 ( 18.954 -2.269 5.664) 19.911 8.283 ( 22.330 -2.786 -8.127) 23.926 8.497 ( 12.121 7.009 -6.028) 15.244 8.541 ( 17.934 1.817 -6.962) 19.324 9.187 ( -4.534 -3.970 0.061) 6.027 9.200 ( -7.593 -5.605 -1.067) 9.498 9.836 ( -8.559 8.915 -4.151) 13.037 9.987 ( -10.369 -3.971 -5.457) 12.372 10.474 ( -8.019 7.385 -4.043) 11.627 10.623 ( -9.560 5.734 7.579) 13.480 10.700 ( -2.430 -8.727 -6.939) 11.411 10.831 ( -3.618 -8.930 2.990) 10.088 11.928 ( 11.741 3.358 -0.958) 12.249 12.015 ( 8.889 -2.774 2.131) 9.552 12.300 ( 0.276 4.719 1.587) 4.987 12.480 ( 0.579 -5.919 0.695) 5.988 12.536 ( 1.065 5.444 -4.969) 7.447 12.724 ( 3.502 -7.733 -1.520) 8.624 12.937 ( 3.522 4.259 0.113) 5.528 13.031 ( 2.642 -3.665 -0.090) 4.519 13.361 ( -1.008 9.106 1.198) 9.240 13.531 ( -3.173 0.368 -1.667) 3.603 13.678 ( -2.343 -2.944 -1.631) 4.100 13.821 ( -7.140 -9.630 -1.365) 12.065 14.262 ( 5.622 3.000 3.334) 7.192 14.374 ( 5.081 -6.502 -0.403) 8.261 14.682 ( -5.611 3.552 2.061) 6.953 14.724 ( -0.870 0.341 4.686) 4.778 14.861 ( 6.236 4.952 2.787) 8.436 14.982 ( 5.634 -5.741 -0.792) 8.083 15.208 ( -1.145 10.334 -7.301) 12.705 15.409 ( 3.610 0.400 4.071) 5.456 15.432 ( -0.575 -1.788 5.025) 5.365 15.605 ( 2.864 -7.982 16.980) 18.980 15.953 ( 6.226 6.193 -9.869) 13.210 16.108 ( 6.324 -8.059 -12.039) 15.807 16.767 ( -8.467 12.061 2.059) 14.879 16.800 ( -15.627 15.962 0.183) 22.339 17.072 ( -1.877 -3.107 1.734) 4.023 17.277 ( -8.695 -14.837 -1.763) 17.287 18.082 ( -2.497 11.168 -4.388) 12.256 18.148 ( -2.424 3.231 -2.175) 4.588 18.229 ( -2.616 -3.590 6.274) 7.687 18.316 ( -2.369 -7.623 -6.566) 10.336 18.729 ( -5.711 3.466 7.208) 9.828 18.794 ( -5.330 -1.007 4.882) 7.298 19.106 ( -2.736 -1.365 1.864) 3.580 19.154 ( -2.517 -4.748 -0.654) 5.413 21.764 ( 15.979 4.412 1.782) 16.672 21.772 ( 12.340 4.031 -3.220) 13.375 21.894 ( 15.913 -5.573 5.556) 17.752 21.905 ( 12.284 -6.120 -8.351) 16.066 27.435 ( -3.520 3.293 0.928) 4.908 27.482 ( -5.020 1.340 2.084) 5.598 27.530 ( -2.703 -0.659 -1.855) 3.344 27.575 ( -4.764 -2.514 -1.132) 5.504 36.804 ( -7.252 10.517 6.229) 14.212 36.939 ( -7.947 1.710 -1.881) 8.344 37.380 ( -8.935 5.038 5.619) 11.696 37.595 ( -9.193 -11.133 -10.365) 17.773 39.328 ( -25.131 5.481 -3.837) 26.006 39.445 ( -27.840 -4.615 -5.185) 28.693 39.537 ( -23.385 3.967 -1.005) 23.740 39.682 ( -26.894 -8.156 11.770) 30.469 ======================= Grid point 201 (112/150) ======================= q-point: ( 0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.795 ( 11.254 20.908 11.873) 26.547 4.089 ( 9.424 -3.621 -1.319) 10.182 4.459 ( 21.819 0.766 9.100) 23.653 4.565 ( 12.751 -8.506 7.748) 17.175 4.799 ( 22.890 3.904 -12.458) 26.351 4.979 ( 17.512 -4.890 -8.395) 20.026 5.130 ( 10.961 0.417 4.694) 11.931 5.388 ( 10.314 -15.600 -8.514) 20.548 5.935 ( 21.744 12.685 5.293) 25.724 6.162 ( 22.060 -5.166 0.944) 22.677 6.448 ( 11.677 4.256 -11.069) 16.643 6.555 ( 7.684 -3.691 -10.963) 13.887 6.798 ( 14.964 0.925 0.401) 14.998 6.839 ( 15.881 -4.960 -2.030) 16.761 7.125 ( 22.241 5.360 4.728) 23.361 7.324 ( 16.632 -9.543 3.326) 19.462 7.713 ( 22.857 11.950 9.683) 27.550 7.978 ( 23.858 -10.947 14.823) 30.146 8.450 ( 17.217 5.716 -7.860) 19.770 8.491 ( 14.833 1.403 -1.664) 14.992 8.633 ( 12.327 6.658 3.329) 14.400 8.661 ( 19.013 5.054 0.955) 19.697 8.786 ( 19.265 1.884 -0.263) 19.359 8.876 ( 17.017 -3.879 -4.670) 18.067 9.060 ( -4.735 -2.629 0.513) 5.441 9.138 ( 0.235 -6.842 -4.039) 7.948 9.662 ( -7.743 4.261 -3.476) 9.497 9.772 ( -9.316 -4.606 -4.632) 11.378 10.305 ( -8.094 8.155 0.412) 11.497 10.465 ( -8.131 -3.179 5.062) 10.092 10.707 ( 3.336 0.570 -2.138) 4.003 10.829 ( 1.854 -7.825 1.206) 8.132 12.074 ( 4.575 4.913 -4.291) 7.968 12.137 ( 1.997 2.695 7.060) 7.816 12.279 ( -4.311 0.888 3.996) 5.944 12.456 ( -2.206 -9.967 -3.320) 10.734 12.573 ( 5.122 9.998 0.340) 11.239 12.785 ( 3.991 -8.853 -1.158) 9.780 13.049 ( 6.252 3.386 -2.791) 7.638 13.123 ( 6.287 -3.007 -2.198) 7.308 13.355 ( 1.104 6.432 -1.128) 6.623 13.472 ( -1.577 0.628 -3.052) 3.492 13.614 ( -2.964 -4.183 -0.993) 5.222 13.702 ( -5.153 -7.601 0.552) 9.200 14.388 ( 5.412 1.655 4.536) 7.253 14.445 ( 1.639 -2.418 1.688) 3.374 14.545 ( -7.686 6.799 0.532) 10.275 14.678 ( -5.217 -3.843 5.564) 8.541 14.926 ( -0.637 5.174 -0.152) 5.215 15.027 ( -1.197 -3.068 -3.514) 4.816 15.178 ( 0.369 9.063 -3.269) 9.642 15.389 ( -2.069 -7.406 0.680) 7.719 15.530 ( 4.127 5.831 10.048) 12.328 15.703 ( 1.243 -8.172 14.392) 16.597 16.069 ( 8.536 5.647 -8.599) 13.368 16.172 ( 4.470 -3.244 -14.396) 15.419 16.481 ( -14.052 7.794 -3.722) 16.494 16.584 ( -9.328 -0.621 -0.570) 9.366 17.106 ( 3.272 2.156 1.590) 4.228 17.195 ( 0.307 -5.810 -2.605) 6.375 17.992 ( -2.642 6.002 -8.063) 10.393 18.075 ( -4.582 0.309 0.506) 4.620 18.240 ( -0.079 -1.253 6.528) 6.647 18.294 ( 0.981 -6.581 -1.912) 6.923 18.657 ( -4.441 3.243 7.991) 9.700 18.731 ( -3.829 -2.313 7.164) 8.446 19.061 ( -2.288 1.365 -0.257) 2.676 19.111 ( -1.627 -2.547 -2.049) 3.652 21.973 ( 9.935 3.386 -3.679) 11.122 22.040 ( 10.995 0.490 -1.340) 11.087 22.095 ( 10.578 -0.394 -1.567) 10.701 22.189 ( 11.949 -5.747 5.108) 14.209 27.377 ( -2.823 2.830 0.725) 4.062 27.404 ( -3.709 1.171 2.381) 4.561 27.476 ( -2.184 -1.561 -1.514) 3.082 27.483 ( -4.083 -1.517 -1.556) 4.625 36.681 ( -7.477 8.868 5.358) 12.778 36.778 ( -7.698 2.685 -1.756) 8.339 37.213 ( -10.506 2.437 6.513) 12.599 37.370 ( -10.421 -9.202 -7.856) 15.968 38.834 ( -23.327 2.679 -5.928) 24.217 38.892 ( -25.244 -2.676 -10.816) 27.593 39.109 ( -20.925 3.978 2.417) 21.436 39.227 ( -24.206 -6.327 10.786) 27.245 ======================= Grid point 202 (113/150) ======================= q-point: ( 0.31 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.018 ( 8.128 14.502 4.491) 17.221 4.260 ( 8.361 -5.151 -0.480) 9.832 4.758 ( 8.462 0.997 1.108) 8.592 4.845 ( 13.584 -6.176 8.790) 17.319 5.129 ( 13.815 9.158 -7.948) 18.382 5.242 ( 15.459 -1.162 -10.810) 18.900 5.423 ( 12.471 -3.738 14.060) 19.162 5.567 ( 10.418 -15.651 2.762) 19.003 6.317 ( 9.244 11.712 11.158) 18.631 6.477 ( 10.305 4.552 -7.352) 13.452 6.582 ( 4.716 -6.438 -9.651) 12.524 6.619 ( 17.886 -4.252 -17.322) 25.259 7.121 ( 19.216 5.877 0.203) 20.095 7.255 ( 21.335 -4.935 1.316) 21.938 7.627 ( 25.103 0.573 3.372) 25.335 7.700 ( 21.206 -4.887 -1.130) 21.791 8.161 ( 19.401 13.046 5.536) 24.026 8.430 ( 16.573 -7.952 7.445) 19.833 8.691 ( 6.237 2.623 -0.165) 6.768 8.743 ( 15.231 4.026 -7.423) 17.415 8.837 ( 5.804 2.556 0.166) 6.344 8.918 ( 2.746 -4.597 2.257) 5.811 8.982 ( 11.256 7.041 -2.588) 13.526 9.154 ( 10.019 -3.309 -4.903) 11.635 9.187 ( 11.689 0.707 -1.005) 11.753 9.241 ( 15.435 -3.208 3.732) 16.201 9.512 ( -6.315 0.186 -0.698) 6.356 9.616 ( -5.238 -7.348 -0.294) 9.028 10.190 ( -3.809 8.702 2.305) 9.775 10.367 ( -3.424 -6.283 2.568) 7.602 10.771 ( 3.093 4.048 -0.869) 5.168 10.886 ( 3.153 -6.020 -0.214) 6.799 12.072 ( -3.226 3.882 -1.397) 5.237 12.173 ( -4.140 5.558 -1.181) 7.030 12.191 ( 0.458 0.316 5.914) 5.940 12.429 ( -0.164 -9.923 -1.347) 10.015 12.678 ( 4.127 7.844 2.550) 9.223 12.840 ( 1.052 -6.420 -0.424) 6.519 13.125 ( 2.687 4.857 0.164) 5.553 13.233 ( 5.476 -4.618 -0.645) 7.192 13.421 ( 6.609 1.997 -4.545) 8.266 13.460 ( 2.171 0.026 -5.657) 6.060 13.575 ( -0.706 -2.672 -0.595) 2.827 13.626 ( -2.972 -5.588 1.996) 6.636 14.398 ( -6.067 9.157 -1.784) 11.128 14.453 ( -2.121 2.620 4.193) 5.380 14.500 ( 3.346 -0.559 4.831) 5.904 14.596 ( -4.719 -5.106 5.683) 8.980 14.847 ( -6.240 3.181 -1.096) 7.090 14.922 ( -6.966 -3.099 -4.619) 8.914 15.185 ( 0.132 8.028 -0.919) 8.082 15.344 ( -4.123 -4.395 3.337) 6.888 15.635 ( 2.546 3.924 9.666) 10.738 15.758 ( -0.760 -6.653 12.420) 14.110 16.158 ( 0.719 2.253 -10.795) 11.051 16.183 ( 4.709 -0.165 -11.066) 12.027 16.287 ( -1.781 6.540 -6.698) 9.529 16.485 ( 0.101 -8.909 -5.036) 10.234 17.175 ( 3.078 3.916 0.565) 5.013 17.233 ( 3.648 -2.245 -1.329) 4.485 17.938 ( -0.569 3.336 -4.056) 5.282 18.006 ( -2.209 -1.918 0.080) 2.927 18.252 ( -0.885 0.610 4.305) 4.437 18.309 ( 0.379 -4.711 0.624) 4.768 18.615 ( -3.112 3.147 7.981) 9.126 18.692 ( -3.026 -3.080 7.012) 8.235 19.015 ( -2.068 2.836 -1.518) 3.824 19.070 ( -1.660 -1.689 -3.218) 3.995 22.131 ( 7.571 2.304 -2.233) 8.223 22.189 ( 6.587 -2.651 -3.149) 7.767 22.290 ( 8.265 3.731 1.733) 9.232 22.387 ( 6.903 -4.723 3.274) 8.982 27.329 ( -2.296 2.306 0.569) 3.303 27.358 ( -2.249 0.076 2.525) 3.383 27.411 ( -2.561 0.085 -1.762) 3.110 27.437 ( -1.332 -1.977 -1.097) 2.624 36.560 ( -6.918 7.790 4.921) 11.522 36.642 ( -5.445 2.076 -0.947) 5.904 37.030 ( -10.684 0.609 6.369) 12.453 37.140 ( -10.542 -7.490 -6.013) 14.262 38.398 ( -19.000 1.107 -7.526) 20.467 38.415 ( -19.581 -0.436 -10.268) 22.114 38.755 ( -16.304 2.511 2.184) 16.640 38.836 ( -19.800 -4.513 9.023) 22.222 ======================= Grid point 203 (114/150) ======================= q-point: ( 0.38 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.137 ( 3.798 9.791 -1.343) 10.587 4.376 ( 3.210 -9.727 -1.742) 10.390 4.916 ( 7.846 7.371 1.198) 10.832 5.095 ( 9.374 -6.405 7.377) 13.539 5.324 ( 8.884 5.283 0.409) 10.344 5.462 ( 12.493 -5.292 -16.544) 21.396 5.663 ( 6.399 2.109 14.164) 15.685 5.793 ( 7.617 -10.183 15.049) 19.702 6.359 ( 0.672 10.334 -2.460) 10.644 6.586 ( 2.385 -8.997 0.390) 9.316 6.782 ( 16.263 7.598 -8.877) 20.026 6.910 ( 14.261 -4.146 -8.285) 17.006 7.497 ( 18.703 7.486 -0.118) 20.146 7.657 ( 19.424 -4.810 1.499) 20.067 8.011 ( 13.909 2.959 0.119) 14.221 8.093 ( 17.369 -1.592 -4.785) 18.086 8.497 ( 14.649 10.288 -0.410) 17.905 8.616 ( 2.709 -0.399 -3.030) 4.084 8.781 ( -2.684 -1.657 1.928) 3.697 8.811 ( 3.510 -5.981 6.303) 9.371 8.960 ( 7.993 6.883 -5.498) 11.895 9.104 ( 3.526 -3.462 -0.612) 4.979 9.129 ( 13.037 3.894 -4.825) 14.436 9.261 ( 5.265 -5.490 -9.744) 12.362 9.314 ( -0.341 5.387 -2.046) 5.772 9.436 ( -0.745 -5.186 1.847) 5.555 9.599 ( 15.117 -2.368 7.776) 17.164 9.630 ( 6.799 -5.872 9.331) 12.953 10.176 ( 1.032 7.401 2.217) 7.794 10.341 ( -0.279 -7.226 0.594) 7.256 10.804 ( 0.734 6.287 -1.512) 6.508 10.918 ( 0.129 -3.881 -2.697) 4.728 11.993 ( -4.212 3.400 2.012) 5.775 12.079 ( -4.378 -3.606 3.012) 6.422 12.255 ( 3.848 7.170 -1.075) 8.208 12.420 ( -0.168 -6.408 -2.218) 6.783 12.733 ( 0.482 3.185 2.758) 4.240 12.823 ( -1.690 -4.285 -1.199) 4.759 13.184 ( 2.886 5.791 3.646) 7.427 13.327 ( 3.841 -6.925 1.884) 8.140 13.512 ( 5.036 1.893 -5.986) 8.048 13.548 ( 7.845 -1.289 -5.572) 9.708 13.572 ( 0.560 -1.293 -1.737) 2.237 13.602 ( -0.614 -3.887 2.727) 4.788 14.289 ( -4.356 9.342 -1.541) 10.422 14.410 ( -3.643 1.272 3.156) 4.985 14.537 ( -1.620 1.407 3.133) 3.797 14.546 ( -2.897 -0.196 5.879) 6.557 14.710 ( -6.982 1.506 -0.949) 7.205 14.789 ( -3.942 -4.020 -1.697) 5.881 15.143 ( -4.119 5.097 -0.728) 6.594 15.251 ( -5.989 -3.173 2.104) 7.097 15.700 ( 0.415 1.794 11.176) 11.326 15.772 ( -2.132 -4.760 12.234) 13.299 16.164 ( 3.865 0.845 -8.838) 9.683 16.200 ( 4.181 -2.615 -10.222) 11.349 16.337 ( 6.180 6.022 -9.611) 12.916 16.500 ( 3.103 -7.912 -8.432) 11.972 17.232 ( 2.803 4.583 0.248) 5.378 17.301 ( 3.335 -2.273 -0.189) 4.040 17.937 ( 1.117 2.448 -0.428) 2.724 17.990 ( -0.018 -2.269 1.593) 2.773 18.237 ( -1.873 2.003 2.553) 3.746 18.304 ( -1.233 -3.953 0.711) 4.202 18.589 ( -2.721 2.882 7.051) 8.088 18.660 ( -2.907 -3.199 6.215) 7.571 18.971 ( -1.760 3.308 -2.215) 4.352 19.025 ( -1.391 -1.338 -4.177) 4.601 22.251 ( 5.434 1.437 -0.725) 5.667 22.288 ( 4.575 -1.838 -1.044) 5.040 22.416 ( 4.351 2.986 0.522) 5.303 22.486 ( 2.810 -3.309 1.017) 4.458 27.295 ( -1.430 1.706 0.528) 2.288 27.326 ( -1.855 -1.054 1.385) 2.544 27.376 ( -0.620 1.515 -0.875) 1.856 27.415 ( -0.630 -1.928 -0.666) 2.135 36.455 ( -5.473 7.548 4.290) 10.263 36.566 ( -2.685 -1.110 1.071) 3.097 36.857 ( -8.930 0.059 4.617) 10.053 36.929 ( -8.785 -5.170 -4.949) 11.331 38.053 ( -13.161 1.207 -8.786) 15.870 38.065 ( -13.852 0.273 -6.087) 15.132 38.502 ( -10.313 0.512 0.985) 10.373 38.536 ( -14.121 -2.371 6.810) 15.856 ======================= Grid point 204 (115/150) ======================= q-point: ( 0.44 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.167 ( 0.345 5.084 -2.419) 5.640 4.363 ( -3.132 -11.327 -3.960) 12.401 5.057 ( 5.059 8.268 4.318) 10.612 5.257 ( 4.364 -6.485 6.008) 9.859 5.458 ( 3.352 4.429 -0.407) 5.569 5.621 ( 8.207 -7.936 -11.278) 16.048 5.780 ( 3.262 8.729 13.623) 16.505 5.953 ( 4.256 -7.894 14.091) 16.703 6.414 ( 5.027 9.468 -1.212) 10.788 6.631 ( 1.646 -8.367 -0.168) 8.529 7.018 ( 10.172 5.930 -3.872) 12.394 7.100 ( 8.562 -1.540 -7.010) 11.172 7.806 ( 13.113 7.308 -2.534) 15.224 8.000 ( 15.046 -6.791 0.660) 16.521 8.195 ( 4.317 8.833 3.541) 10.450 8.248 ( 2.189 9.170 -11.290) 14.709 8.584 ( -1.985 -3.675 -9.267) 10.165 8.630 ( -4.787 -10.286 2.577) 11.635 8.790 ( 6.892 9.051 4.109) 12.096 8.939 ( 3.850 -2.561 4.683) 6.581 9.059 ( 5.656 4.214 0.150) 7.055 9.105 ( -3.114 -0.533 -2.741) 4.183 9.255 ( 1.076 0.221 -2.012) 2.292 9.303 ( 6.685 2.516 -9.039) 11.520 9.365 ( -0.920 -7.988 2.684) 8.477 9.408 ( 3.087 -5.803 -4.844) 8.165 9.810 ( 6.200 1.295 9.459) 11.384 9.895 ( 10.772 -5.342 6.206) 13.531 10.221 ( 2.282 4.243 1.051) 4.931 10.343 ( 0.080 -6.681 -0.479) 6.699 10.792 ( -0.869 6.015 -2.435) 6.547 10.870 ( -3.238 -0.858 -3.938) 5.170 11.934 ( -3.029 3.894 4.433) 6.633 12.034 ( -2.210 -4.898 6.149) 8.166 12.320 ( 3.244 5.620 -4.104) 7.678 12.419 ( 2.111 -3.118 -4.283) 5.703 12.725 ( -1.384 0.943 1.858) 2.502 12.802 ( 0.629 -5.184 -3.074) 6.060 13.252 ( 1.928 5.398 5.972) 8.278 13.394 ( 2.174 -7.190 2.634) 7.960 13.550 ( -0.645 1.292 0.592) 1.561 13.603 ( 0.114 -3.091 1.494) 3.435 13.621 ( 5.666 1.525 -6.747) 8.942 13.675 ( 7.177 -2.650 -5.425) 9.379 14.220 ( -2.561 8.069 0.324) 8.472 14.332 ( -5.634 -0.186 4.019) 6.923 14.483 ( -3.237 2.452 3.164) 5.148 14.510 ( -3.221 -0.641 -1.119) 3.470 14.618 ( -0.934 6.395 0.298) 6.470 14.732 ( -3.401 -2.017 0.374) 3.971 15.062 ( -3.206 1.217 1.887) 3.914 15.147 ( -5.054 -4.822 1.076) 7.068 15.739 ( -0.966 0.569 12.647) 12.697 15.773 ( -2.519 -2.714 12.249) 12.796 16.218 ( 3.773 1.393 -5.413) 6.743 16.265 ( 5.220 -2.483 -9.623) 11.225 16.420 ( 7.272 2.813 -14.658) 16.603 16.527 ( 3.246 -6.001 -10.384) 12.425 17.285 ( 2.278 4.109 1.385) 4.898 17.356 ( 2.314 -2.480 -0.030) 3.392 17.969 ( 1.406 1.434 2.386) 3.118 18.001 ( -0.396 -1.518 3.662) 3.984 18.209 ( -1.384 2.752 0.992) 3.236 18.274 ( -1.513 -3.145 -0.238) 3.498 18.556 ( -3.253 2.604 6.254) 7.515 18.620 ( -3.680 -2.907 5.968) 7.591 18.932 ( -1.222 3.807 -2.782) 4.871 18.994 ( 0.109 -1.710 -4.614) 4.922 22.338 ( 3.666 0.828 0.481) 3.789 22.360 ( 2.967 -1.111 0.620) 3.228 22.467 ( 1.109 1.960 -0.696) 2.357 22.512 ( 0.055 -2.093 -0.769) 2.231 27.277 ( -0.674 1.191 0.475) 1.449 27.299 ( -1.115 -0.691 0.309) 1.348 27.373 ( 0.312 1.193 0.010) 1.233 27.406 ( -0.165 -1.558 -0.478) 1.638 36.388 ( -2.977 6.542 4.442) 8.450 36.525 ( -3.324 -5.370 3.610) 7.275 36.744 ( -2.647 1.104 0.110) 2.871 36.781 ( -4.497 -1.908 -3.568) 6.049 37.827 ( -8.899 0.875 -3.999) 9.795 37.828 ( -7.403 0.812 -6.158) 9.663 38.346 ( -7.420 0.221 4.548) 8.705 38.369 ( -3.521 -1.772 -0.332) 3.955 ======================= Grid point 205 (116/150) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.142 ( -2.387 -0.674 -0.002) 2.480 4.244 ( -7.339 -9.099 -2.958) 12.059 5.120 ( -1.696 5.930 7.772) 9.922 5.282 ( -5.699 -7.342 7.488) 11.935 5.438 ( -1.761 10.485 -3.838) 11.303 5.668 ( 1.402 -9.453 -4.169) 10.427 5.974 ( 10.306 6.695 8.389) 14.880 6.083 ( 4.331 -4.457 7.799) 9.972 6.485 ( 1.365 5.889 0.468) 6.063 6.624 ( -2.037 -5.446 -3.195) 6.635 7.138 ( 3.294 5.709 -1.945) 6.872 7.212 ( 5.920 -0.480 -4.794) 7.632 7.971 ( 5.116 8.993 -6.468) 12.201 8.066 ( -11.785 15.976 -9.198) 21.880 8.189 ( 1.767 -4.591 1.893) 5.271 8.317 ( 4.673 8.728 4.742) 10.977 8.411 ( -10.952 -9.500 -6.454) 15.870 8.587 ( -2.266 -10.503 3.060) 11.171 8.863 ( -1.638 4.443 -2.310) 5.269 8.922 ( -4.385 -0.237 5.074) 6.711 9.089 ( 2.415 5.807 1.073) 6.380 9.168 ( 1.612 -2.161 2.664) 3.790 9.238 ( -3.263 -2.708 -2.135) 4.747 9.319 ( -1.434 -5.738 2.771) 6.531 9.368 ( 3.766 0.560 -8.595) 9.400 9.472 ( 3.664 -6.049 -5.542) 8.985 9.919 ( 1.659 2.563 7.552) 8.146 10.025 ( 0.655 -6.237 3.966) 7.421 10.262 ( 1.977 0.817 -0.453) 2.186 10.325 ( -1.781 -4.655 -1.221) 5.132 10.763 ( -1.712 4.740 -1.298) 5.204 10.806 ( -0.766 1.016 -3.319) 3.555 11.908 ( -1.920 5.338 6.220) 8.418 12.021 ( -1.791 -4.369 5.406) 7.177 12.343 ( 1.494 7.335 -3.628) 8.319 12.485 ( 6.106 -4.934 -6.591) 10.250 12.726 ( 1.649 1.007 -0.453) 1.985 12.816 ( 2.161 -6.547 -4.207) 8.077 13.288 ( -0.740 4.798 6.423) 8.052 13.423 ( -0.243 -7.298 1.806) 7.522 13.526 ( -1.871 2.116 0.156) 2.829 13.585 ( -2.758 -3.304 2.643) 5.051 13.709 ( 5.341 2.736 -7.205) 9.376 13.781 ( 5.705 -3.503 -5.434) 8.623 14.184 ( -2.508 6.003 4.338) 7.820 14.258 ( -2.730 0.370 5.837) 6.455 14.425 ( -3.303 2.228 -4.202) 5.790 14.464 ( 0.089 -1.038 -1.763) 2.048 14.643 ( -0.678 4.820 2.373) 5.415 14.667 ( 0.331 3.653 2.291) 4.325 15.042 ( -0.625 -2.461 4.295) 4.989 15.071 ( -3.134 -4.348 1.086) 5.468 15.749 ( -3.360 0.708 11.891) 12.377 15.761 ( -2.767 -0.958 10.735) 11.127 16.241 ( -0.738 3.604 -0.786) 3.762 16.311 ( 2.939 -3.157 -8.039) 9.123 16.519 ( 9.353 -1.880 -19.558) 21.760 16.549 ( 3.693 -3.930 -13.069) 14.138 17.321 ( 0.384 3.380 2.064) 3.979 17.385 ( 0.646 -2.100 -0.301) 2.218 17.988 ( -1.703 -0.418 4.506) 4.836 17.990 ( -1.709 -0.633 4.001) 4.396 18.205 ( 1.079 3.299 -0.045) 3.471 18.262 ( 0.725 -1.853 -0.098) 1.992 18.514 ( -3.129 1.910 6.254) 7.249 18.566 ( -4.105 -2.480 6.565) 8.130 18.909 ( 0.038 5.008 -3.037) 5.856 18.995 ( 1.570 -2.822 -4.336) 5.407 22.396 ( 1.877 0.501 1.146) 2.255 22.410 ( 1.918 -0.706 1.675) 2.643 22.457 ( -1.616 1.393 -1.524) 2.622 22.490 ( -1.771 -1.513 -1.825) 2.959 27.271 ( -0.128 0.872 0.490) 1.008 27.287 ( -0.210 -0.319 0.081) 0.390 27.383 ( 0.646 0.601 0.074) 0.886 27.404 ( 0.223 -1.052 -0.561) 1.213 36.375 ( -0.226 3.537 5.075) 6.190 36.455 ( -4.495 -3.650 3.888) 6.975 36.720 ( 0.315 3.293 -2.401) 4.087 36.790 ( 6.512 -2.982 -3.039) 7.780 37.688 ( -4.364 1.638 -2.125) 5.123 37.714 ( -2.688 -0.641 -3.124) 4.171 38.286 ( -0.087 3.105 2.407) 3.930 38.366 ( 3.464 -3.919 -1.164) 5.359 ======================= Grid point 206 (117/150) ======================= q-point: (-0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.043 ( -9.644 -2.655 2.201) 10.242 4.111 ( -4.641 -8.919 3.154) 10.537 5.015 ( -12.343 3.797 5.265) 13.945 5.098 ( -14.237 -2.950 10.100) 17.703 5.440 ( 1.957 9.384 -0.396) 9.594 5.670 ( 0.076 -10.625 -4.092) 11.386 6.127 ( -1.700 1.269 -1.044) 2.364 6.150 ( 3.041 0.156 2.196) 3.754 6.460 ( -4.027 3.796 2.386) 6.026 6.543 ( -3.955 -3.161 -3.994) 6.449 7.142 ( -1.406 8.939 -4.795) 10.241 7.296 ( 3.866 -3.910 -4.979) 7.417 7.754 ( -15.987 17.254 -9.282) 25.288 7.930 ( -7.340 14.202 -2.367) 16.161 8.091 ( -15.804 -9.820 -6.700) 19.776 8.140 ( -9.618 -2.009 8.830) 13.210 8.409 ( -0.371 0.850 5.318) 5.398 8.531 ( -5.406 -5.421 7.148) 10.474 8.757 ( -5.934 5.394 -3.792) 8.871 8.868 ( -4.938 -2.564 1.184) 5.689 9.059 ( -8.488 0.244 5.465) 10.098 9.128 ( -4.552 -3.205 1.826) 5.859 9.160 ( -3.064 -1.907 -5.513) 6.589 9.282 ( -2.850 -8.588 0.972) 9.100 9.419 ( 2.954 3.173 -6.560) 7.863 9.516 ( 3.099 -4.264 -3.606) 6.387 9.925 ( -3.174 1.525 2.917) 4.573 10.001 ( -2.332 -4.865 3.200) 6.272 10.262 ( -2.771 0.564 0.270) 2.840 10.304 ( 0.989 -3.003 -0.798) 3.261 10.730 ( -0.685 5.677 -0.276) 5.725 10.808 ( 1.231 -1.492 -1.961) 2.754 11.891 ( -2.621 5.855 5.931) 8.736 11.992 ( -3.003 -2.661 3.474) 5.307 12.377 ( 3.370 9.172 -2.983) 10.216 12.581 ( 5.870 -8.101 -6.073) 11.703 12.787 ( 5.154 1.345 -3.801) 6.543 12.859 ( 4.023 -5.149 -4.386) 7.869 13.273 ( -3.011 4.920 5.552) 8.006 13.395 ( -3.072 -5.228 0.920) 6.133 13.476 ( -3.498 0.457 0.067) 3.528 13.519 ( -4.470 -3.372 1.919) 5.919 13.765 ( 3.027 2.275 -7.570) 8.464 13.847 ( 3.279 -5.106 -6.634) 8.991 14.158 ( -1.615 6.004 4.881) 7.904 14.259 ( -1.561 -2.554 6.750) 7.384 14.354 ( -1.504 6.940 -0.946) 7.164 14.466 ( 0.306 -3.566 0.206) 3.585 14.651 ( 3.032 6.962 2.372) 7.955 14.771 ( 7.563 -0.271 1.414) 7.699 15.025 ( -2.139 -1.546 2.659) 3.747 15.065 ( 1.263 -3.251 4.231) 5.483 15.697 ( -5.107 2.283 6.567) 8.627 15.739 ( -4.077 -1.422 10.387) 11.249 16.191 ( -4.061 5.219 1.354) 6.750 16.308 ( -1.110 -5.994 -4.257) 7.435 16.570 ( 4.448 -0.128 -16.825) 17.404 16.629 ( 8.996 -4.578 -20.764) 23.087 17.302 ( -3.081 3.905 1.125) 5.100 17.377 ( -1.434 -2.384 -0.137) 2.785 17.950 ( -3.278 -1.017 2.998) 4.557 17.954 ( -3.323 -1.471 3.855) 5.298 18.251 ( 3.399 3.693 0.459) 5.040 18.301 ( 2.639 -0.606 2.234) 3.511 18.496 ( -0.946 0.335 6.931) 7.004 18.520 ( -3.046 -1.604 7.196) 7.977 18.911 ( 1.227 5.854 -2.627) 6.533 19.017 ( 2.021 -3.683 -3.605) 5.536 22.387 ( -4.138 1.168 -1.312) 4.496 22.411 ( -2.683 -0.142 -0.501) 2.733 22.431 ( -1.060 0.132 0.046) 1.069 22.460 ( 1.214 -1.578 0.987) 2.222 27.275 ( 0.350 0.948 0.509) 1.132 27.292 ( 0.621 -0.432 0.388) 0.850 27.397 ( 0.900 0.309 -0.428) 1.043 27.411 ( 0.795 -0.729 -0.759) 1.319 36.406 ( -1.798 0.218 3.669) 4.091 36.414 ( 2.238 -0.456 5.068) 5.559 36.769 ( 5.941 8.901 -2.894) 11.086 36.960 ( 12.022 -8.079 -4.163) 15.071 37.640 ( -0.156 2.516 0.011) 2.521 37.697 ( 1.584 -2.564 -0.236) 3.024 38.360 ( 7.080 5.904 0.812) 9.255 38.492 ( 10.055 -5.809 -1.617) 11.725 ======================= Grid point 207 (118/150) ======================= q-point: (-0.38 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.840 ( -12.391 3.152 7.056) 14.603 4.042 ( -5.351 -14.671 8.878) 17.964 4.701 ( -20.302 6.737 3.337) 21.650 4.849 ( -16.087 -5.787 11.731) 20.734 5.478 ( 0.813 6.801 3.416) 7.654 5.627 ( -2.377 -7.220 -7.926) 10.982 5.955 ( -14.101 3.864 -6.812) 16.129 6.087 ( -8.773 -5.027 -0.626) 10.130 6.389 ( -4.713 2.999 3.217) 6.446 6.445 ( -5.578 -2.612 -2.951) 6.830 7.025 ( -8.403 10.944 -15.443) 20.709 7.200 ( -14.279 -4.112 -16.792) 22.423 7.447 ( -11.483 13.818 -1.500) 18.029 7.687 ( -20.927 -4.094 -0.546) 21.331 7.782 ( -7.926 12.081 7.822) 16.430 7.974 ( -10.724 -4.399 8.524) 14.388 8.319 ( -11.424 1.640 8.975) 14.621 8.403 ( -12.644 -4.993 12.430) 18.420 8.570 ( -12.964 3.788 -6.866) 15.151 8.701 ( -12.246 -3.398 0.700) 12.728 8.930 ( -8.650 -3.514 2.837) 9.758 8.972 ( -4.687 -5.265 4.219) 8.215 9.108 ( -3.284 3.052 -4.664) 6.470 9.214 ( -4.211 -7.754 -2.779) 9.250 9.416 ( -0.664 5.648 -3.101) 6.477 9.558 ( 1.769 -6.361 -2.741) 7.149 9.834 ( -5.833 5.121 -2.987) 8.316 9.972 ( -2.002 -6.905 -1.821) 7.416 10.209 ( -2.772 5.226 2.239) 6.325 10.321 ( 1.233 -4.453 0.675) 4.670 10.746 ( 2.426 4.851 -0.326) 5.434 10.831 ( 1.784 -2.959 -0.785) 3.543 11.848 ( -3.674 5.014 5.234) 8.127 11.937 ( -3.779 -2.504 3.932) 6.001 12.441 ( 4.030 9.565 -3.898) 11.087 12.658 ( 4.148 -8.466 -4.647) 10.511 12.880 ( 5.846 1.844 -6.470) 8.913 12.936 ( 5.088 -2.655 -4.499) 7.293 13.217 ( -4.511 5.872 3.085) 8.022 13.330 ( -2.980 -2.030 0.797) 3.693 13.392 ( -5.204 -1.015 2.162) 5.726 13.445 ( -3.606 -6.282 -0.179) 7.246 13.750 ( -1.814 2.765 -9.759) 10.304 13.853 ( 0.172 -6.673 -8.355) 10.694 14.153 ( -0.200 6.374 3.174) 7.123 14.237 ( -1.482 0.681 9.264) 9.407 14.390 ( 2.702 2.415 4.533) 5.804 14.488 ( 1.001 -5.055 4.347) 6.742 14.750 ( 5.203 7.696 1.846) 9.471 14.923 ( 4.293 -7.175 -2.113) 8.624 15.028 ( 4.577 7.370 3.655) 9.414 15.147 ( 6.110 -4.189 5.033) 8.956 15.612 ( -5.165 2.457 3.918) 6.933 15.675 ( -5.836 -2.440 7.610) 9.896 16.109 ( -5.178 5.831 3.808) 8.678 16.244 ( -3.991 -7.459 -1.781) 8.646 16.585 ( 3.447 3.948 -17.683) 18.443 16.704 ( 6.608 -6.010 -21.583) 23.358 17.217 ( -5.576 6.169 0.609) 8.337 17.333 ( -2.926 -4.339 -0.077) 5.234 17.881 ( -3.964 -0.451 1.438) 4.240 17.916 ( -2.149 -3.238 3.231) 5.054 18.327 ( 3.857 3.433 0.600) 5.198 18.370 ( 3.048 -0.031 3.619) 4.732 18.507 ( -1.072 0.564 8.933) 9.014 18.538 ( 2.772 -2.074 6.185) 7.088 18.930 ( 1.444 6.037 -1.980) 6.516 19.043 ( 1.794 -4.101 -2.543) 5.148 22.271 ( -7.150 1.386 -1.507) 7.438 22.308 ( -6.736 -1.784 -1.675) 7.167 22.411 ( -2.058 3.275 0.782) 3.946 22.489 ( 0.860 -3.676 0.999) 3.905 27.289 ( 0.891 1.294 0.617) 1.688 27.313 ( 1.268 -0.761 0.894) 1.728 27.418 ( 1.653 0.319 -1.220) 2.079 27.430 ( 1.539 -0.729 -1.048) 2.000 36.415 ( 1.222 3.879 3.854) 5.603 36.495 ( 4.390 -2.703 3.866) 6.444 36.927 ( 11.297 12.520 -2.972) 17.123 37.210 ( 15.372 -12.231 -6.659) 20.742 37.685 ( 4.515 3.661 3.014) 6.548 37.777 ( 6.167 -4.560 3.400) 8.390 38.560 ( 13.197 8.358 -0.128) 15.622 38.738 ( 15.807 -7.547 -1.843) 17.613 ======================= Grid point 208 (119/150) ======================= q-point: (-0.31 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( -14.196 9.781 12.548) 21.322 3.957 ( -8.111 -18.209 13.718) 24.198 4.288 ( -23.409 9.752 4.785) 25.806 4.561 ( -18.150 -11.946 11.957) 24.801 5.443 ( -11.968 11.714 11.091) 20.086 5.518 ( -4.337 1.557 -15.947) 16.599 5.622 ( -11.048 -1.157 -11.379) 15.902 5.849 ( -16.244 -11.512 5.898) 20.765 6.265 ( -8.952 1.203 -2.214) 9.300 6.288 ( -9.878 -1.645 -2.443) 10.308 6.633 ( -25.506 9.847 -16.404) 31.885 6.748 ( -22.724 -0.139 -14.627) 27.025 7.181 ( -16.449 6.388 -5.352) 18.440 7.272 ( -19.741 -2.041 -3.283) 20.116 7.682 ( -11.922 6.122 3.416) 13.830 7.801 ( -9.740 -2.843 9.795) 14.102 8.080 ( -19.527 -0.846 16.095) 25.319 8.146 ( -15.006 -5.789 16.189) 22.821 8.257 ( -15.320 5.808 -1.069) 16.419 8.431 ( -13.147 -6.592 1.635) 14.798 8.829 ( -4.933 2.995 1.159) 5.887 8.897 ( -5.925 -1.050 4.587) 7.566 8.981 ( -8.289 2.728 -3.243) 9.310 9.093 ( -6.337 -8.472 -7.380) 12.899 9.383 ( -2.103 6.440 -2.111) 7.096 9.545 ( -3.526 -7.633 -2.065) 8.658 9.691 ( -4.329 8.540 -9.435) 13.442 9.895 ( -3.207 -9.460 -7.405) 12.434 10.188 ( -0.393 10.140 3.701) 10.802 10.376 ( 3.651 -5.678 2.517) 7.204 10.813 ( 4.943 2.717 -3.221) 6.495 10.875 ( 3.232 -3.155 -1.428) 4.737 11.807 ( -2.308 3.286 5.936) 7.167 11.889 ( -2.978 -3.855 6.990) 8.520 12.487 ( 2.425 9.912 -6.046) 11.861 12.711 ( 2.780 -8.025 -3.402) 9.149 12.926 ( 0.399 2.481 -8.204) 8.580 12.988 ( 1.305 -1.838 -5.804) 6.226 13.118 ( -5.894 8.598 0.486) 10.435 13.308 ( -2.443 1.918 2.924) 4.266 13.339 ( 2.011 -8.487 -0.100) 8.723 13.362 ( -4.476 -4.297 -0.387) 6.217 13.641 ( -4.173 6.090 -9.308) 11.880 13.810 ( -0.636 -9.221 -7.738) 12.054 14.201 ( 3.523 6.226 5.932) 9.294 14.276 ( 0.567 0.021 11.648) 11.661 14.437 ( -0.950 0.656 4.464) 4.611 14.529 ( 1.574 -6.540 5.098) 8.440 14.837 ( 2.826 4.697 1.566) 5.701 14.922 ( -0.547 -2.242 0.271) 2.324 15.179 ( 5.493 7.485 -2.049) 9.508 15.321 ( 6.680 -4.837 4.231) 9.269 15.561 ( 0.047 1.572 4.514) 4.780 15.604 ( -1.852 -1.544 6.430) 6.868 16.027 ( -4.875 5.847 5.435) 9.353 16.156 ( -4.472 -7.268 0.695) 8.562 16.577 ( 2.749 6.220 -16.234) 17.600 16.723 ( 3.679 -6.010 -20.529) 21.705 17.113 ( -5.109 8.271 1.430) 9.826 17.269 ( -3.396 -6.343 -0.786) 7.238 17.822 ( -2.347 0.634 0.812) 2.563 17.898 ( -0.669 -5.702 2.343) 6.201 18.394 ( 2.896 2.579 -0.156) 3.881 18.430 ( 1.754 -0.484 2.009) 2.711 18.554 ( 2.598 3.902 8.969) 10.120 18.648 ( 5.997 -4.193 6.405) 9.725 18.948 ( 0.943 6.159 -1.455) 6.398 19.067 ( 1.460 -4.467 -1.339) 4.886 22.101 ( -9.937 1.477 -0.817) 10.079 22.145 ( -9.564 -2.314 -0.957) 9.887 22.345 ( -5.076 6.019 -0.308) 7.880 22.489 ( -1.302 -6.828 -0.816) 6.999 27.314 ( 1.411 1.838 0.781) 2.446 27.348 ( 1.911 -1.008 1.280) 2.511 27.456 ( 2.894 0.107 -1.724) 3.370 27.464 ( 2.523 -0.700 -1.521) 3.028 36.476 ( 3.359 7.276 4.026) 8.969 36.611 ( 6.204 -3.264 2.643) 7.492 37.167 ( 14.290 13.133 -5.134) 20.075 37.475 ( 14.211 -12.687 -8.532) 20.874 37.855 ( 11.654 4.007 5.902) 13.664 37.979 ( 13.158 -6.836 9.297) 17.502 38.860 ( 17.664 10.541 -0.463) 20.575 39.082 ( 20.223 -9.343 -1.863) 22.355 ======================= Grid point 209 (120/150) ======================= q-point: (-0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( -17.500 15.194 16.115) 28.227 3.817 ( -13.735 -8.294 20.543) 26.067 3.846 ( -23.495 1.482 5.663) 24.213 4.240 ( -19.508 -16.830 12.184) 28.500 5.086 ( -22.961 17.269 11.226) 30.845 5.315 ( -10.115 7.336 -23.384) 26.513 5.453 ( -14.016 -9.405 6.256) 18.001 5.580 ( -7.413 -10.379 -8.759) 15.472 5.888 ( -29.557 10.306 -8.434) 32.418 6.071 ( -13.465 -5.601 -3.067) 14.903 6.121 ( -19.195 6.675 -1.734) 20.396 6.251 ( -21.750 -5.020 -5.473) 22.984 6.779 ( -22.184 2.173 -5.297) 22.911 6.894 ( -18.485 -5.520 -8.042) 20.901 7.345 ( -18.259 4.652 1.880) 18.935 7.573 ( -16.990 -12.694 -1.102) 21.237 7.737 ( -20.548 4.109 21.075) 29.719 7.855 ( -20.974 -4.673 11.899) 24.563 8.124 ( -2.918 9.056 7.356) 12.027 8.260 ( -6.765 -3.125 7.523) 10.588 8.663 ( -11.090 6.413 -4.547) 13.594 8.755 ( -14.969 4.160 1.303) 15.591 8.771 ( -9.082 -0.701 -1.124) 9.178 8.903 ( -10.981 -8.502 -8.875) 16.481 9.308 ( -3.253 4.257 -6.561) 8.471 9.408 ( -4.182 -4.212 -6.833) 9.051 9.686 ( 5.177 6.488 -6.166) 10.340 9.857 ( 2.965 -7.604 -6.915) 10.698 10.212 ( 0.943 13.237 4.999) 14.181 10.459 ( 3.323 -7.588 3.347) 8.934 10.912 ( 7.742 0.884 -8.749) 11.716 10.951 ( 5.870 -3.275 -4.076) 7.861 11.801 ( -1.160 1.302 6.660) 6.885 11.875 ( -2.150 -5.413 10.000) 11.572 12.485 ( -0.518 9.363 -5.650) 10.948 12.715 ( -2.811 -10.191 -4.858) 11.635 12.823 ( -6.133 5.132 -7.691) 11.095 12.906 ( -6.881 -2.110 -7.252) 10.217 13.032 ( -2.105 11.352 -1.906) 11.701 13.254 ( -2.522 -5.627 -3.697) 7.190 13.319 ( 1.842 4.551 4.000) 6.333 13.439 ( 4.582 -8.537 3.587) 10.332 13.560 ( -0.508 7.963 -8.740) 11.834 13.798 ( 2.098 -12.862 -5.512) 14.149 14.285 ( -2.180 1.803 8.671) 9.120 14.334 ( 2.212 0.177 11.343) 11.558 14.375 ( -4.138 5.851 3.289) 7.885 14.593 ( 3.193 -10.323 5.972) 12.346 14.862 ( -0.459 4.001 1.846) 4.430 14.938 ( 0.520 -2.155 0.395) 2.252 15.163 ( -4.817 6.605 -2.675) 8.601 15.304 ( -7.074 -5.780 4.683) 10.266 15.669 ( 3.167 2.615 5.540) 6.896 15.692 ( 7.926 1.334 0.705) 8.068 15.969 ( -3.392 6.103 4.216) 8.156 16.095 ( -1.772 -6.109 2.745) 6.928 16.615 ( 7.662 6.322 -9.019) 13.417 16.724 ( 4.639 -2.440 -15.466) 16.330 17.048 ( -1.915 8.126 1.956) 8.574 17.204 ( -2.221 -6.828 -2.217) 7.515 17.803 ( 0.263 0.771 0.058) 0.817 17.912 ( 1.273 -7.978 2.169) 8.366 18.435 ( 1.454 1.782 -0.398) 2.334 18.460 ( 1.503 -0.277 -1.028) 1.842 18.661 ( 4.955 6.556 7.159) 10.899 18.809 ( 8.057 -6.173 5.591) 11.588 18.956 ( 0.591 6.751 -1.221) 6.886 19.094 ( 1.815 -5.316 -0.206) 5.621 21.885 ( -12.199 1.559 0.219) 12.300 21.935 ( -11.853 -2.841 0.330) 12.194 22.202 ( -9.412 8.694 -2.259) 13.011 22.416 ( -5.785 -10.508 -4.136) 12.688 27.350 ( 1.991 2.682 0.955) 3.474 27.397 ( 2.718 -1.178 1.351) 3.256 27.516 ( 3.805 -0.424 -1.923) 4.284 27.519 ( 3.854 -0.542 -1.676) 4.238 36.568 ( 4.440 10.198 4.394) 11.959 36.751 ( 7.212 -4.032 2.293) 8.575 37.403 ( 12.131 12.368 -9.978) 19.992 37.695 ( 11.863 -11.745 -7.316) 18.226 38.186 ( 19.704 6.600 11.760) 23.877 38.373 ( 23.099 -9.451 11.762) 27.591 39.226 ( 19.990 12.571 -0.171) 23.615 39.494 ( 22.660 -11.358 -1.530) 25.393 ======================= Grid point 210 (121/150) ======================= q-point: (-0.19 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -23.343 16.848 17.838) 33.866 3.397 ( -25.131 6.157 11.996) 28.519 3.590 ( -19.315 -8.353 21.551) 30.122 3.937 ( -14.708 -17.364 13.005) 26.210 4.692 ( -23.140 12.465 8.351) 27.579 4.931 ( -22.541 0.145 -5.243) 23.143 5.126 ( -24.374 7.369 -8.957) 26.993 5.246 ( -15.816 12.533 -9.302) 22.220 5.467 ( -11.065 -4.783 -13.199) 17.875 5.665 ( -18.726 -6.880 -3.671) 20.285 5.882 ( -11.215 -5.563 5.867) 13.825 5.902 ( -17.137 -3.431 5.793) 18.412 6.327 ( -20.487 1.426 -4.773) 21.084 6.496 ( -18.277 -11.155 -5.234) 22.043 7.091 ( -10.060 2.009 5.709) 11.740 7.252 ( -15.395 -12.180 3.615) 19.961 7.404 ( -19.984 3.155 13.435) 24.286 7.491 ( -19.917 -4.163 9.907) 22.632 8.060 ( -7.013 7.276 2.544) 10.421 8.147 ( -10.607 -0.883 8.548) 13.652 8.402 ( -18.212 6.749 -4.443) 19.924 8.412 ( -14.114 5.259 -3.223) 15.403 8.527 ( -13.632 0.163 -10.037) 16.929 8.651 ( -7.455 -7.182 -11.551) 15.511 9.276 ( 2.952 5.116 -7.081) 9.221 9.389 ( 3.500 -4.644 -5.342) 7.897 9.809 ( 9.307 6.572 -4.631) 12.298 9.951 ( 7.906 -4.462 -3.316) 9.665 10.258 ( 2.060 13.255 5.569) 14.524 10.525 ( 2.755 -9.213 2.944) 10.056 11.043 ( 9.444 0.762 -12.195) 15.443 11.086 ( 10.279 -3.899 -7.730) 13.440 11.781 ( -4.210 0.010 5.186) 6.680 11.850 ( -5.203 -6.344 8.520) 11.829 12.416 ( -4.968 5.260 -1.298) 7.351 12.512 ( -11.939 -2.882 -8.329) 14.840 12.712 ( -4.197 1.464 -6.361) 7.760 12.751 ( -5.699 -2.496 -3.321) 7.053 13.026 ( 2.493 13.419 -3.546) 14.102 13.243 ( 2.320 -4.947 -2.729) 6.108 13.387 ( 2.536 5.361 4.953) 7.727 13.490 ( -0.120 -0.301 2.678) 2.697 13.567 ( 2.749 -0.144 -6.461) 7.023 13.837 ( 2.725 -15.441 -3.273) 16.018 14.206 ( -6.468 0.115 6.462) 9.143 14.236 ( -6.924 -1.816 4.661) 8.541 14.518 ( 8.136 6.279 8.277) 13.196 14.691 ( 3.171 -8.063 7.149) 11.233 14.812 ( -7.064 2.352 3.104) 8.066 14.889 ( -5.771 -4.108 0.245) 7.088 15.038 ( -5.876 6.788 0.359) 8.986 15.186 ( -6.424 -7.210 7.195) 12.042 15.690 ( -2.218 4.174 4.505) 6.530 15.762 ( -2.080 -2.062 -1.712) 3.393 15.889 ( -3.895 10.923 -2.531) 11.870 16.098 ( -0.234 -7.294 -0.538) 7.318 16.818 ( 8.285 8.338 -4.554) 12.606 16.838 ( 15.272 7.484 1.793) 17.101 17.057 ( 2.108 5.614 2.004) 6.323 17.216 ( 6.806 -8.894 -4.522) 12.078 17.828 ( 2.334 0.260 -1.024) 2.562 17.966 ( 3.419 -10.128 2.700) 11.026 18.453 ( 0.718 1.688 -0.869) 2.030 18.481 ( 1.570 -0.248 -4.000) 4.304 18.788 ( 5.733 9.298 4.327) 11.749 18.957 ( 1.533 3.763 5.296) 6.675 18.994 ( 6.834 -3.019 -1.831) 7.692 19.156 ( 5.766 -7.664 0.091) 9.591 21.638 ( -13.281 1.696 1.095) 13.433 21.695 ( -13.186 -3.284 1.639) 13.687 21.959 ( -14.456 9.976 -4.469) 18.123 22.215 ( -13.095 -13.223 -8.269) 20.365 27.400 ( 2.771 3.777 1.211) 4.839 27.463 ( 3.513 -1.268 1.171) 3.914 27.588 ( 4.384 -0.544 -2.017) 4.856 27.596 ( 4.425 -0.880 -1.199) 4.668 36.675 ( 4.621 12.349 5.402) 14.249 36.900 ( 7.102 -5.553 2.787) 9.436 37.555 ( 7.946 13.214 -11.107) 19.003 37.878 ( 9.983 -14.394 -9.163) 19.769 38.721 ( 29.619 9.878 18.887) 36.491 38.928 ( 29.130 -8.596 10.753) 32.219 39.616 ( 19.695 14.378 0.780) 24.397 39.929 ( 22.250 -13.527 -0.669) 26.047 ======================= Grid point 211 (122/150) ======================= q-point: (-0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -27.878 16.307 20.032) 38.005 2.971 ( -23.833 -8.351 15.098) 29.422 3.295 ( -16.739 14.008 22.719) 31.505 3.780 ( -8.220 -18.696 13.955) 24.736 4.200 ( -26.130 5.066 -5.880) 27.258 4.408 ( -27.187 -10.176 -6.241) 29.693 4.750 ( -13.203 30.984 19.350) 38.842 5.014 ( -5.333 13.074 -21.423) 25.658 5.110 ( -19.234 1.275 -8.122) 20.917 5.334 ( -17.662 -6.954 -2.116) 19.099 5.623 ( -12.261 -8.841 -1.976) 15.244 5.691 ( -9.504 -10.027 7.528) 15.733 6.059 ( -7.787 -3.095 11.225) 14.008 6.210 ( -10.100 -11.562 -1.433) 15.419 6.914 ( -13.226 -1.566 9.288) 16.237 6.986 ( -14.314 -9.248 5.553) 17.923 7.136 ( -9.984 1.294 6.590) 12.033 7.207 ( -11.678 -4.824 7.357) 14.621 7.867 ( -13.278 3.004 0.258) 13.616 7.871 ( -17.425 2.330 4.813) 18.227 8.053 ( -13.749 2.891 -8.613) 16.479 8.107 ( -14.919 -1.944 -4.779) 15.786 8.314 ( -3.235 11.125 -19.225) 22.446 8.532 ( -1.405 -6.458 -13.049) 14.627 9.355 ( 6.608 7.123 -3.364) 10.281 9.463 ( 4.784 -1.606 -2.398) 5.587 9.999 ( 11.658 3.507 -4.751) 13.068 10.084 ( 4.618 -1.287 0.963) 4.890 10.374 ( 9.907 9.743 2.630) 14.142 10.619 ( 6.710 -9.425 2.938) 11.936 11.176 ( 8.898 1.412 -13.888) 16.555 11.258 ( 9.987 -5.589 -10.110) 15.271 11.637 ( -11.639 -0.254 -0.133) 11.642 11.700 ( -12.350 -5.275 3.240) 13.815 12.292 ( -7.715 2.197 -4.243) 9.075 12.324 ( -5.464 0.119 0.693) 5.509 12.611 ( -3.520 1.034 -3.856) 5.322 12.679 ( 0.965 -4.700 -0.720) 4.851 13.075 ( 1.474 13.975 0.782) 14.074 13.294 ( 2.128 -3.180 2.457) 4.547 13.434 ( -0.081 2.355 3.697) 4.384 13.501 ( 2.158 3.851 -2.232) 4.946 13.545 ( -3.482 -1.644 -0.013) 3.851 13.840 ( -2.050 -13.044 1.387) 13.277 14.150 ( -1.785 -0.799 1.559) 2.501 14.195 ( 3.861 -6.440 1.182) 7.601 14.558 ( -12.618 2.598 2.520) 13.127 14.635 ( -13.377 -5.095 2.197) 14.482 14.740 ( 6.784 4.126 5.594) 9.713 14.816 ( -1.551 -2.049 2.929) 3.897 14.991 ( -0.325 3.531 6.081) 7.040 15.125 ( -2.723 -8.514 11.264) 14.380 15.604 ( -11.180 2.049 -0.222) 11.368 15.627 ( -6.375 -0.036 3.343) 7.199 15.842 ( -0.709 10.904 -4.277) 11.735 16.070 ( -1.022 -8.629 -3.912) 9.530 16.911 ( 2.891 17.248 -0.394) 17.493 17.128 ( 8.273 11.012 -7.208) 15.546 17.178 ( 11.324 4.415 15.690) 19.847 17.462 ( 17.528 -14.079 -1.606) 22.540 17.885 ( 4.285 0.146 -2.349) 4.889 18.061 ( 5.247 -12.000 2.281) 13.295 18.458 ( 0.425 1.926 -1.813) 2.679 18.497 ( 2.210 -0.537 -5.460) 5.914 18.889 ( 2.821 9.474 1.779) 10.044 19.025 ( 4.527 7.267 5.118) 9.975 19.104 ( 6.093 -1.936 -1.763) 6.631 19.335 ( 11.958 -10.649 -3.075) 16.305 21.391 ( -12.401 1.742 1.091) 12.570 21.444 ( -13.318 -2.890 1.980) 13.771 21.624 ( -17.417 7.897 -5.218) 19.823 21.844 ( -21.201 -12.118 -10.282) 26.497 27.466 ( 3.494 4.700 1.512) 6.049 27.537 ( 3.665 -0.954 0.773) 3.865 27.665 ( 4.088 -0.947 -1.531) 4.466 27.673 ( 3.700 -1.075 -0.728) 3.921 36.783 ( 4.025 13.705 7.013) 15.912 37.040 ( 5.934 -7.152 3.722) 10.011 37.638 ( 4.730 15.139 -9.599) 18.539 38.006 ( 7.103 -16.831 -11.265) 21.463 39.446 ( 36.558 5.743 19.622) 41.886 39.540 ( 29.011 -2.879 8.993) 30.509 39.976 ( 16.610 15.444 2.008) 22.769 40.325 ( 17.900 -15.321 0.599) 23.569 ======================= Grid point 212 (123/150) ======================= q-point: (-0.06 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -18.762 19.105 24.268) 36.137 2.648 ( -13.190 -17.769 16.248) 27.454 3.144 ( -8.574 26.678 24.236) 37.048 3.629 ( -11.513 2.133 -3.197) 12.137 3.764 ( -13.661 -11.231 -9.288) 19.975 3.999 ( -11.768 -19.645 6.141) 23.709 4.649 ( -6.133 21.611 14.729) 26.863 4.743 ( -14.963 5.652 -1.879) 16.105 4.860 ( -2.151 14.148 -24.235) 28.145 5.050 ( -9.258 3.772 11.310) 15.095 5.417 ( -5.869 -9.694 -8.655) 14.259 5.608 ( -4.554 -5.074 13.893) 15.476 6.008 ( -6.148 -10.874 12.457) 17.642 6.077 ( -3.692 -12.700 9.046) 16.024 6.695 ( -10.587 -0.888 9.909) 14.529 6.773 ( -7.565 -8.147 -0.920) 11.156 7.031 ( -4.315 -1.025 5.374) 6.968 7.071 ( -5.903 -4.404 5.373) 9.116 7.571 ( -11.098 5.295 -1.811) 12.430 7.667 ( -8.320 -3.222 3.087) 9.441 7.810 ( -7.222 1.424 -10.145) 12.534 7.856 ( -8.591 -3.280 -6.976) 11.543 8.197 ( -1.385 15.275 -21.951) 26.778 8.466 ( -0.398 -7.234 -15.490) 17.101 9.462 ( 2.774 7.515 2.792) 8.483 9.541 ( 4.548 2.347 -2.524) 5.706 10.113 ( -0.869 1.957 3.907) 4.455 10.212 ( 11.142 -5.056 -8.404) 14.844 10.653 ( 16.739 6.709 -0.512) 18.041 10.810 ( 10.285 -4.221 3.834) 11.760 11.262 ( 3.363 -1.172 -11.985) 12.504 11.362 ( 2.115 -7.654 -11.164) 13.700 11.426 ( -4.407 -0.338 -3.578) 5.686 11.459 ( -8.838 -3.128 0.261) 9.379 12.093 ( -12.310 1.717 -3.578) 12.934 12.143 ( -13.432 -1.865 -2.487) 13.787 12.640 ( 6.949 6.073 2.036) 9.451 12.798 ( 8.970 -7.718 2.194) 12.035 13.044 ( -5.569 11.740 6.981) 14.750 13.297 ( -6.544 -9.902 10.481) 15.834 13.384 ( -1.412 8.049 -2.223) 8.469 13.520 ( 0.648 -4.624 3.888) 6.076 13.595 ( 6.535 6.481 -0.330) 9.210 13.799 ( -1.691 -9.501 0.251) 9.654 14.131 ( -3.149 1.749 0.176) 3.606 14.250 ( -7.821 -7.423 0.891) 10.819 14.367 ( 0.786 -1.475 -0.407) 1.720 14.407 ( -4.440 -2.405 -1.339) 5.224 14.769 ( -2.934 4.001 2.191) 5.424 14.851 ( 0.686 -3.006 3.781) 4.879 15.047 ( 3.736 3.838 8.423) 9.982 15.181 ( 2.747 -8.076 11.089) 13.990 15.384 ( -10.053 4.815 1.216) 11.213 15.483 ( -9.272 -4.219 3.482) 10.765 15.820 ( -0.186 10.304 -2.191) 10.536 16.045 ( -0.193 -9.243 -3.543) 9.900 16.956 ( 1.918 21.632 -0.069) 21.717 17.213 ( 3.950 6.727 -8.662) 11.657 17.423 ( 6.065 10.949 18.086) 21.994 17.743 ( 8.246 -18.289 5.000) 20.676 17.978 ( 6.570 -0.093 -5.581) 8.621 18.158 ( 3.293 -10.911 -0.159) 11.398 18.460 ( 0.731 3.041 -2.052) 3.741 18.546 ( 5.378 -3.705 -6.689) 9.349 18.930 ( 1.036 8.610 3.362) 9.301 19.105 ( 1.083 -5.339 7.488) 9.260 19.279 ( 12.295 10.859 -9.549) 18.981 19.522 ( 7.511 -9.033 -8.599) 14.558 21.185 ( -8.392 1.404 -0.249) 8.512 21.209 ( -10.138 -0.307 0.590) 10.159 21.306 ( -12.429 1.128 -2.368) 12.702 21.383 ( -20.267 -5.399 -5.705) 21.736 27.539 ( 3.153 4.892 1.561) 6.026 27.601 ( 2.508 0.040 0.097) 2.511 27.719 ( 1.369 -0.913 0.286) 1.670 27.732 ( 2.732 -1.910 -1.269) 3.567 36.878 ( 2.638 14.406 8.622) 16.995 37.150 ( 3.721 -7.765 4.194) 9.578 37.670 ( 1.833 16.232 -7.270) 17.880 38.066 ( 3.546 -17.946 -12.763) 22.306 40.050 ( 18.593 7.175 6.726) 21.034 40.158 ( 22.994 -1.566 12.606) 26.269 40.290 ( 19.316 7.734 2.836) 21.000 40.595 ( 8.786 -15.759 1.564) 18.110 ======================= Grid point 245 (124/150) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 5.339 0.000 -36.386) 36.776 2.467 ( -5.339 0.000 36.386) 36.776 3.139 ( 11.101 0.000 -48.700) 49.949 3.139 ( -11.101 0.000 48.700) 49.949 3.821 ( -5.477 0.000 1.319) 5.634 3.821 ( 5.477 0.000 -1.319) 5.634 4.349 ( 5.781 0.000 -8.787) 10.518 4.349 ( -5.781 0.000 8.787) 10.518 5.396 ( -1.783 0.000 -27.162) 27.221 5.396 ( 1.783 0.000 27.162) 27.221 5.724 ( -5.417 0.000 -58.978) 59.226 5.724 ( 5.417 0.000 58.978) 59.226 6.051 ( -5.762 0.000 -2.598) 6.320 6.051 ( 5.762 0.000 2.598) 6.320 6.734 ( -3.495 0.000 -9.895) 10.494 6.734 ( 3.495 0.000 9.895) 10.494 6.915 ( 1.179 0.000 -6.342) 6.450 6.915 ( -1.179 0.000 6.342) 6.450 7.332 ( -1.265 0.000 -2.322) 2.644 7.332 ( 1.265 0.000 2.322) 2.644 7.898 ( 5.224 0.000 -6.045) 7.989 7.898 ( -5.224 0.000 6.045) 7.989 8.044 ( -0.869 0.000 -2.676) 2.814 8.044 ( 0.869 0.000 2.676) 2.814 9.577 ( 0.468 0.000 -6.465) 6.482 9.577 ( -0.468 0.000 6.465) 6.482 10.306 ( 8.562 0.000 -5.356) 10.099 10.306 ( -8.562 0.000 5.356) 10.099 10.724 ( -6.121 0.000 -3.897) 7.257 10.724 ( 6.121 0.000 3.897) 7.257 11.287 ( -10.829 0.000 3.398) 11.350 11.287 ( 10.829 0.000 -3.398) 11.350 11.666 ( -10.052 0.000 0.836) 10.086 11.666 ( 10.052 0.000 -0.836) 10.086 11.951 ( -1.472 0.000 -0.038) 1.472 11.951 ( 1.472 0.000 0.038) 1.472 12.594 ( -4.621 0.000 -0.589) 4.658 12.594 ( 4.621 0.000 0.589) 4.658 13.199 ( -1.369 0.000 -0.700) 1.537 13.199 ( 1.369 0.000 0.700) 1.537 13.528 ( -3.725 0.000 -0.372) 3.744 13.528 ( 3.725 0.000 0.372) 3.744 13.776 ( -2.709 0.000 -0.604) 2.775 13.776 ( 2.709 0.000 0.604) 2.775 14.104 ( 6.036 0.000 -2.342) 6.475 14.104 ( -6.036 0.000 2.342) 6.475 14.609 ( -0.461 0.000 -7.390) 7.404 14.609 ( 0.461 0.000 7.390) 7.404 14.792 ( -6.200 0.000 -3.574) 7.157 14.792 ( 6.200 0.000 3.574) 7.157 15.303 ( -7.090 0.000 -5.662) 9.073 15.303 ( 7.090 0.000 5.662) 9.073 15.417 ( -3.841 0.000 -4.039) 5.574 15.417 ( 3.841 0.000 4.039) 5.574 16.276 ( -0.074 0.000 -13.962) 13.963 16.276 ( 0.074 0.000 13.962) 13.963 16.546 ( 0.095 0.000 -5.334) 5.335 16.546 ( -0.095 0.000 5.334) 5.335 17.108 ( -13.173 0.000 -19.235) 23.313 17.108 ( 13.173 0.000 19.235) 23.313 18.374 ( -0.529 0.000 -7.735) 7.753 18.374 ( 0.529 0.000 7.735) 7.753 18.423 ( -0.785 0.000 -0.209) 0.813 18.423 ( 0.785 0.000 0.209) 0.813 19.158 ( -1.833 0.000 -3.021) 3.533 19.158 ( 1.833 0.000 3.021) 3.533 19.544 ( -3.458 0.000 -5.143) 6.197 19.544 ( 3.458 0.000 5.143) 6.197 21.120 ( -0.882 0.000 -0.881) 1.247 21.120 ( 0.882 0.000 0.881) 1.247 21.212 ( -3.973 0.000 -1.169) 4.142 21.212 ( 3.973 0.000 1.169) 4.142 27.478 ( -0.803 0.000 -2.383) 2.514 27.478 ( 0.803 0.000 2.383) 2.514 27.794 ( 1.180 0.000 -1.927) 2.260 27.794 ( -1.180 0.000 1.927) 2.260 36.700 ( -0.402 0.000 -6.684) 6.696 36.700 ( 0.402 0.000 6.684) 6.696 38.015 ( 0.170 0.000 -22.216) 22.217 38.015 ( -0.170 0.000 22.216) 22.217 40.086 ( 0.995 0.000 -9.636) 9.687 40.086 ( -0.995 0.000 9.636) 9.687 41.201 ( 10.044 0.000 -6.352) 11.884 41.201 ( -10.044 0.000 6.352) 11.884 ======================= Grid point 247 (125/150) ======================= q-point: ( 0.06 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 22.428 0.000 -34.082) 40.799 2.696 ( 15.788 0.000 28.073) 32.208 3.191 ( -1.157 0.000 48.321) 48.335 3.223 ( 15.136 0.000 -46.937) 49.317 3.899 ( 13.164 0.000 1.805) 13.287 4.053 ( 17.768 0.000 -4.757) 18.393 4.381 ( 5.624 0.000 1.171) 5.745 4.551 ( 17.715 0.000 -8.802) 19.782 5.274 ( 1.473 0.000 -30.443) 30.478 5.479 ( 5.425 0.000 -58.054) 58.307 5.529 ( 3.462 0.000 19.711) 20.013 6.001 ( 6.753 0.000 18.791) 19.967 6.019 ( -0.924 0.000 14.397) 14.426 6.312 ( 11.468 0.000 46.634) 48.023 6.757 ( 10.281 0.000 -8.425) 13.292 6.823 ( 1.339 0.000 -0.848) 1.585 6.983 ( 7.051 0.000 -3.251) 7.764 7.069 ( 13.139 0.000 17.339) 21.755 7.430 ( 12.568 0.000 -3.656) 13.089 7.486 ( 12.746 0.000 4.175) 13.412 7.745 ( -7.155 0.000 -7.109) 10.086 7.866 ( -0.480 0.000 -17.080) 17.087 8.074 ( 1.164 0.000 5.490) 5.612 8.168 ( 6.986 0.000 9.208) 11.558 9.535 ( -1.960 0.000 -8.700) 8.918 9.565 ( -3.333 0.000 6.604) 7.398 10.066 ( -16.033 0.000 7.441) 17.676 10.281 ( -7.901 0.000 -5.483) 9.617 10.548 ( -9.145 0.000 -10.356) 13.816 10.805 ( 0.516 0.000 0.144) 0.535 11.210 ( -5.278 0.000 7.485) 9.159 11.411 ( -3.663 0.000 -1.571) 3.986 11.551 ( 7.500 0.000 2.203) 7.817 11.617 ( -0.566 0.000 1.572) 1.671 12.136 ( 11.354 0.000 2.807) 11.696 12.168 ( 13.776 0.000 -1.969) 13.916 12.483 ( -1.544 0.000 -3.458) 3.787 12.582 ( -6.495 0.000 4.157) 7.711 13.104 ( -5.994 0.000 -3.321) 6.853 13.163 ( -3.309 0.000 1.074) 3.479 13.432 ( -9.087 0.000 -0.504) 9.101 13.441 ( -3.787 0.000 2.981) 4.820 13.931 ( 8.408 0.000 -0.595) 8.429 13.937 ( 10.279 0.000 1.181) 10.347 14.156 ( 11.802 0.000 2.810) 12.132 14.303 ( 13.806 0.000 -2.612) 14.051 14.527 ( -8.804 0.000 2.661) 9.198 14.545 ( -1.785 0.000 -6.779) 7.010 14.776 ( 3.158 0.000 1.927) 3.700 14.884 ( -2.506 0.000 -1.044) 2.715 15.161 ( -0.482 0.000 -4.106) 4.135 15.358 ( 0.911 0.000 -3.335) 3.457 15.402 ( 1.592 0.000 0.619) 1.708 15.620 ( 10.373 0.000 12.985) 16.620 16.176 ( -3.296 0.000 -16.901) 17.219 16.248 ( -6.503 0.000 6.434) 9.148 16.571 ( -0.770 0.000 6.102) 6.150 16.575 ( 3.233 0.000 3.063) 4.454 16.763 ( -14.514 0.000 -15.019) 20.886 17.366 ( 5.196 0.000 17.692) 18.439 18.304 ( -3.816 0.000 -8.279) 9.116 18.385 ( -2.451 0.000 8.267) 8.622 18.410 ( -0.906 0.000 1.011) 1.358 18.445 ( 1.275 0.000 0.469) 1.359 18.898 ( -16.610 0.000 -8.301) 18.569 19.004 ( -12.655 0.000 3.875) 13.235 19.509 ( -1.922 0.000 -4.334) 4.741 19.642 ( -0.066 0.000 4.773) 4.774 21.141 ( 5.877 0.000 -0.265) 5.883 21.192 ( 9.050 0.000 -0.381) 9.058 21.417 ( 14.171 0.000 -4.584) 14.894 21.427 ( 20.542 0.000 4.804) 21.096 27.432 ( -2.717 0.000 -2.865) 3.949 27.480 ( -1.336 0.000 1.928) 2.346 27.755 ( -3.460 0.000 2.028) 4.011 27.782 ( -1.829 0.000 -1.438) 2.327 36.644 ( -2.511 0.000 -7.550) 7.956 36.705 ( -2.187 0.000 5.091) 5.541 37.906 ( -3.374 0.000 -18.832) 19.131 38.058 ( -4.430 0.000 24.501) 24.898 39.959 ( -9.803 0.000 -11.092) 14.803 39.986 ( -12.397 0.000 6.740) 14.110 40.755 ( -34.211 0.000 -6.998) 34.920 41.119 ( -14.220 0.000 -4.199) 14.827 ======================= Grid point 248 (126/150) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 20.319 0.000 -10.512) 22.877 3.229 ( 27.427 0.000 18.542) 33.106 3.367 ( 18.435 0.000 -42.154) 46.009 3.476 ( 14.948 0.000 28.193) 31.910 4.307 ( 26.506 0.000 2.394) 26.614 4.393 ( 18.508 0.000 -9.664) 20.879 4.502 ( 9.984 0.000 -16.724) 19.477 4.914 ( 20.658 0.000 -4.404) 21.122 5.285 ( 12.074 0.000 -28.579) 31.024 5.588 ( 22.651 0.000 -30.648) 38.110 5.699 ( 9.438 0.000 5.839) 11.098 6.091 ( 1.217 0.000 19.539) 19.577 6.181 ( 7.831 0.000 12.250) 14.539 6.754 ( 14.660 0.000 46.805) 49.047 6.821 ( 0.886 0.000 -6.284) 6.347 6.994 ( 8.281 0.000 7.262) 11.014 7.167 ( 17.883 0.000 -14.167) 22.815 7.428 ( 14.991 0.000 15.349) 21.455 7.612 ( 1.220 0.000 -7.909) 8.002 7.779 ( 24.085 0.000 -6.045) 24.832 7.848 ( 6.565 0.000 -11.497) 13.239 7.859 ( 18.214 0.000 13.352) 22.584 8.121 ( 3.426 0.000 0.054) 3.427 8.351 ( 9.314 0.000 5.170) 10.653 9.438 ( -4.139 0.000 -10.694) 11.467 9.496 ( -6.816 0.000 10.040) 12.135 9.807 ( -12.178 0.000 5.204) 13.243 10.062 ( -10.138 0.000 -8.169) 13.019 10.323 ( -9.027 0.000 -12.367) 15.311 10.754 ( -6.027 0.000 5.900) 8.434 11.017 ( -9.946 0.000 0.627) 9.966 11.406 ( -10.787 0.000 9.166) 14.155 11.624 ( 16.905 0.000 3.251) 17.215 11.882 ( 13.205 0.000 -3.187) 13.584 12.244 ( -6.289 0.000 5.632) 8.442 12.293 ( 4.987 0.000 -3.717) 6.220 12.527 ( 4.944 0.000 4.416) 6.629 12.629 ( 13.949 0.000 -5.985) 15.179 12.967 ( -6.451 0.000 -6.728) 9.321 13.125 ( -1.359 0.000 3.173) 3.452 13.277 ( -6.045 0.000 1.219) 6.167 13.378 ( -4.468 0.000 4.479) 6.326 14.043 ( 3.163 0.000 -1.605) 3.547 14.106 ( 7.933 0.000 1.486) 8.071 14.358 ( -7.489 0.000 -1.363) 7.612 14.431 ( 8.945 0.000 4.533) 10.028 14.497 ( 1.803 0.000 -4.582) 4.924 14.566 ( 10.258 0.000 -2.443) 10.545 14.730 ( -7.970 0.000 -4.531) 9.168 14.871 ( 5.953 0.000 5.018) 7.786 15.178 ( -0.714 0.000 0.613) 0.941 15.350 ( -0.222 0.000 -5.180) 5.185 15.502 ( 7.957 0.000 1.007) 8.021 15.843 ( 6.491 0.000 8.619) 10.790 16.047 ( -3.509 0.000 -15.442) 15.835 16.121 ( -7.521 0.000 9.614) 12.207 16.434 ( -8.984 0.000 -17.975) 20.096 16.588 ( -3.730 0.000 9.673) 10.367 16.667 ( 4.010 0.000 5.750) 7.010 17.407 ( -5.379 0.000 7.071) 8.884 18.172 ( -5.374 0.000 -9.017) 10.497 18.342 ( -4.739 0.000 7.060) 8.503 18.392 ( -1.573 0.000 2.475) 2.932 18.473 ( 1.268 0.000 0.429) 1.339 18.636 ( -5.757 0.000 -8.686) 10.421 18.815 ( -7.834 0.000 4.392) 8.981 19.414 ( -5.866 0.000 -1.859) 6.154 19.535 ( -10.645 0.000 1.269) 10.721 21.359 ( 14.851 0.000 0.725) 14.869 21.413 ( 12.908 0.000 -1.004) 12.946 21.673 ( 14.069 0.000 -7.724) 16.050 21.904 ( 22.460 0.000 13.498) 26.204 27.364 ( -2.960 0.000 -2.542) 3.902 27.448 ( -2.413 0.000 1.664) 2.931 27.684 ( -4.342 0.000 1.693) 4.660 27.717 ( -4.249 0.000 -0.767) 4.318 36.554 ( -3.606 0.000 -7.383) 8.217 36.654 ( -4.591 0.000 3.442) 5.737 37.753 ( -5.824 0.000 -14.740) 15.848 38.023 ( -8.720 0.000 25.341) 26.800 39.639 ( -18.782 0.000 -13.518) 23.141 39.675 ( -20.923 0.000 3.361) 21.191 39.963 ( -37.501 0.000 -21.845) 43.400 40.711 ( -25.835 0.000 3.167) 26.028 ======================= Grid point 249 (127/150) ======================= q-point: ( 0.19 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( 16.621 0.000 9.453) 19.121 3.511 ( 15.267 0.000 -30.666) 34.256 3.836 ( 14.045 0.000 -1.409) 14.116 3.961 ( 37.206 0.000 7.747) 38.004 4.684 ( 13.027 0.000 -7.766) 15.167 4.748 ( 25.847 0.000 -13.028) 28.945 4.866 ( 28.242 0.000 2.978) 28.399 5.266 ( 15.081 0.000 4.987) 15.884 5.531 ( 21.905 0.000 -24.312) 32.725 5.915 ( 13.306 0.000 -12.667) 18.371 6.001 ( 24.892 0.000 -16.371) 29.793 6.185 ( 0.261 0.000 21.047) 21.049 6.447 ( 14.130 0.000 17.136) 22.210 6.871 ( 9.189 0.000 -9.373) 13.126 7.014 ( -3.366 0.000 6.619) 7.426 7.207 ( 16.561 0.000 23.497) 28.747 7.571 ( 24.542 0.000 -9.511) 26.320 7.716 ( 11.626 0.000 8.478) 14.389 7.735 ( 11.851 0.000 -0.738) 11.874 8.058 ( 17.977 0.000 -2.332) 18.128 8.146 ( 6.202 0.000 6.797) 9.201 8.284 ( 27.448 0.000 -6.938) 28.311 8.362 ( 20.727 0.000 6.661) 21.771 8.574 ( 12.403 0.000 1.700) 12.519 9.313 ( -4.209 0.000 -8.747) 9.707 9.398 ( -6.733 0.000 12.687) 14.363 9.653 ( -5.255 0.000 3.418) 6.269 9.863 ( -7.217 0.000 -7.436) 10.362 10.129 ( -6.128 0.000 -10.988) 12.581 10.645 ( -7.435 0.000 8.188) 11.060 10.878 ( -4.809 0.000 -1.735) 5.112 11.260 ( -7.251 0.000 6.956) 10.049 11.913 ( 4.484 0.000 0.258) 4.491 12.019 ( 3.149 0.000 -5.363) 6.219 12.132 ( 1.459 0.000 11.846) 11.935 12.448 ( 10.684 0.000 -0.701) 10.707 12.667 ( 2.807 0.000 -1.049) 2.996 12.845 ( 1.392 0.000 -4.787) 4.985 12.845 ( 8.087 0.000 -6.039) 10.093 13.129 ( 0.252 0.000 4.210) 4.217 13.224 ( -0.352 0.000 3.961) 3.976 13.310 ( -3.555 0.000 3.621) 5.074 14.024 ( -4.439 0.000 -1.126) 4.579 14.183 ( -8.153 0.000 -4.120) 9.135 14.248 ( 4.405 0.000 1.115) 4.544 14.517 ( -0.557 0.000 3.367) 3.412 14.534 ( 4.891 0.000 -7.046) 8.577 14.571 ( -5.604 0.000 -1.025) 5.697 14.740 ( 5.140 0.000 2.144) 5.569 15.037 ( 6.630 0.000 4.094) 7.792 15.131 ( -3.998 0.000 1.091) 4.145 15.315 ( -0.346 0.000 -2.922) 2.942 15.650 ( 6.515 0.000 -3.034) 7.187 15.816 ( -7.778 0.000 -1.749) 7.972 15.937 ( -2.147 0.000 -13.389) 13.560 16.160 ( 3.850 0.000 19.065) 19.450 16.272 ( -1.624 0.000 -10.665) 10.788 16.555 ( -1.844 0.000 3.865) 4.282 16.750 ( 1.965 0.000 3.626) 4.125 17.299 ( -4.017 0.000 -1.644) 4.340 18.055 ( -4.307 0.000 -5.465) 6.958 18.266 ( -4.960 0.000 4.373) 6.613 18.372 ( -1.503 0.000 3.258) 3.588 18.489 ( 0.168 0.000 -0.383) 0.418 18.571 ( 0.322 0.000 -5.394) 5.403 18.728 ( -3.466 0.000 4.899) 6.001 19.293 ( -5.983 0.000 0.347) 5.993 19.305 ( -11.705 0.000 -2.485) 11.966 21.659 ( 12.523 0.000 -0.823) 12.550 21.667 ( 15.827 0.000 0.980) 15.857 21.896 ( 11.810 0.000 -7.107) 13.784 22.318 ( 13.980 0.000 14.382) 20.058 27.307 ( -2.073 0.000 -1.295) 2.444 27.406 ( -2.321 0.000 1.416) 2.719 27.607 ( -4.020 0.000 1.068) 4.160 27.620 ( -5.356 0.000 -0.123) 5.358 36.459 ( -3.302 0.000 -6.385) 7.188 36.559 ( -6.126 0.000 2.336) 6.556 37.578 ( -7.417 0.000 -10.423) 12.792 37.911 ( -12.342 0.000 24.687) 27.600 39.069 ( -28.922 0.000 -30.962) 42.369 39.235 ( -24.455 0.000 0.437) 24.459 39.339 ( -21.748 0.000 -9.266) 23.640 40.194 ( -28.860 0.000 7.375) 29.787 ======================= Grid point 250 (128/150) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 18.677 0.000 11.747) 22.064 3.703 ( 15.204 0.000 -24.642) 28.955 4.041 ( 10.714 0.000 -6.018) 12.289 4.709 ( 36.429 0.000 4.540) 36.710 4.902 ( 12.797 0.000 -6.746) 14.467 5.303 ( 30.481 0.000 -0.563) 30.486 5.338 ( 16.763 0.000 6.133) 17.849 5.541 ( 11.301 0.000 9.026) 14.463 5.821 ( 12.804 0.000 -23.272) 26.562 6.125 ( 14.988 0.000 -17.152) 22.778 6.275 ( 5.986 0.000 18.315) 19.269 6.375 ( 18.655 0.000 -12.747) 22.594 6.740 ( 5.406 0.000 11.228) 12.461 7.064 ( 12.231 0.000 -0.514) 12.242 7.120 ( 17.399 0.000 -4.151) 17.887 7.559 ( 12.158 0.000 10.456) 16.036 7.925 ( 13.941 0.000 -3.609) 14.400 8.017 ( 15.988 0.000 10.497) 19.126 8.041 ( 19.807 0.000 -2.102) 19.918 8.327 ( 12.394 0.000 -3.361) 12.841 8.453 ( 23.389 0.000 -3.688) 23.678 8.713 ( 18.120 0.000 -8.678) 20.090 8.757 ( 14.113 0.000 14.821) 20.466 8.815 ( 11.013 0.000 -4.181) 11.780 9.277 ( 5.157 0.000 -1.688) 5.426 9.351 ( -2.259 0.000 7.910) 8.227 9.646 ( 2.768 0.000 8.938) 9.357 9.727 ( -4.985 0.000 -3.186) 5.916 10.023 ( -0.880 0.000 -6.165) 6.228 10.538 ( -5.755 0.000 4.178) 7.112 10.788 ( -4.742 0.000 -0.917) 4.829 11.166 ( -4.933 0.000 2.793) 5.669 11.823 ( -6.061 0.000 -0.109) 6.062 12.007 ( -1.686 0.000 -4.438) 4.747 12.372 ( 11.629 0.000 2.853) 11.973 12.608 ( -3.848 0.000 2.898) 4.817 12.628 ( 6.172 0.000 3.289) 6.994 12.944 ( 2.642 0.000 -3.385) 4.294 12.949 ( 7.766 0.000 1.515) 7.912 13.154 ( 0.282 0.000 3.961) 3.971 13.290 ( 5.234 0.000 4.385) 6.828 13.304 ( 3.421 0.000 -1.840) 3.885 13.909 ( -5.676 0.000 -0.886) 5.745 13.984 ( -9.935 0.000 -5.975) 11.593 14.288 ( -1.303 0.000 2.545) 2.859 14.426 ( -8.617 0.000 1.851) 8.814 14.495 ( -1.617 0.000 -0.929) 1.865 14.661 ( 8.722 0.000 -5.157) 10.133 14.810 ( 1.468 0.000 2.799) 3.161 15.017 ( -6.674 0.000 -6.031) 8.995 15.030 ( -7.148 0.000 2.153) 7.466 15.412 ( 6.446 0.000 10.218) 12.081 15.669 ( -4.831 0.000 -2.547) 5.461 15.739 ( 5.832 0.000 -8.990) 10.716 15.860 ( -0.797 0.000 -13.115) 13.139 16.265 ( 1.379 0.000 0.732) 1.561 16.298 ( 2.626 0.000 17.727) 17.921 16.577 ( 4.431 0.000 -2.502) 5.089 16.752 ( -1.677 0.000 -2.384) 2.915 17.287 ( 2.158 0.000 1.792) 2.805 17.958 ( -3.817 0.000 -3.160) 4.955 18.190 ( -3.941 0.000 1.914) 4.381 18.356 ( -1.714 0.000 3.784) 4.154 18.471 ( -1.569 0.000 -2.099) 2.621 18.579 ( 1.942 0.000 -4.122) 4.556 18.699 ( -1.830 0.000 5.190) 5.503 19.091 ( -8.561 0.000 -6.011) 10.460 19.192 ( -4.945 0.000 2.246) 5.431 21.884 ( 10.898 0.000 -0.429) 10.907 21.956 ( 13.325 0.000 0.594) 13.338 22.079 ( 9.408 0.000 -4.384) 10.379 22.546 ( 5.322 0.000 9.663) 11.032 27.273 ( -1.321 0.000 -0.139) 1.328 27.373 ( -1.550 0.000 1.050) 1.872 27.517 ( -5.213 0.000 0.452) 5.233 27.541 ( -2.994 0.000 0.424) 3.024 36.390 ( -1.481 0.000 -5.017) 5.231 36.444 ( -6.273 0.000 2.072) 6.607 37.388 ( -9.025 0.000 -7.083) 11.473 37.734 ( -14.862 0.000 22.727) 27.155 38.455 ( -21.889 0.000 -29.908) 37.062 38.761 ( -23.639 0.000 -1.933) 23.718 38.933 ( -17.780 0.000 -5.565) 18.630 39.672 ( -27.690 0.000 8.509) 28.968 ======================= Grid point 251 (129/150) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.916 ( 14.709 0.000 -16.845) 22.363 4.132 ( 22.306 0.000 3.698) 22.610 4.246 ( 10.218 0.000 9.570) 13.999 5.128 ( 12.505 0.000 -5.250) 13.562 5.300 ( 20.912 0.000 -12.388) 24.306 5.551 ( 3.352 0.000 19.368) 19.656 5.731 ( 4.594 0.000 -10.400) 11.369 5.831 ( 17.890 0.000 9.767) 20.383 5.916 ( 14.993 0.000 -2.801) 15.253 6.356 ( 12.675 0.000 -12.163) 17.567 6.533 ( 11.550 0.000 14.989) 18.923 6.716 ( 22.238 0.000 -13.506) 26.018 6.785 ( -0.012 0.000 0.232) 0.233 7.371 ( 15.136 0.000 -4.740) 15.861 7.453 ( 17.118 0.000 1.068) 17.151 7.758 ( 8.167 0.000 -0.419) 8.178 8.185 ( 14.966 0.000 -2.540) 15.180 8.340 ( 10.903 0.000 10.752) 15.313 8.389 ( 16.532 0.000 -5.185) 17.326 8.570 ( 13.465 0.000 -4.165) 14.094 8.858 ( 3.561 0.000 -6.742) 7.624 8.936 ( 28.021 0.000 -8.323) 29.231 9.003 ( 6.155 0.000 16.139) 17.273 9.008 ( 10.720 0.000 -4.658) 11.688 9.350 ( -0.052 0.000 1.394) 1.395 9.491 ( 13.552 0.000 -1.738) 13.663 9.644 ( -3.696 0.000 4.655) 5.943 9.804 ( 7.771 0.000 12.987) 15.134 10.073 ( 6.836 0.000 1.853) 7.083 10.460 ( -2.528 0.000 -2.283) 3.406 10.669 ( -7.349 0.000 -0.121) 7.350 11.065 ( -6.315 0.000 -0.711) 6.355 11.756 ( 0.126 0.000 -3.787) 3.789 11.945 ( -2.820 0.000 -2.825) 3.992 12.450 ( -0.472 0.000 -7.569) 7.584 12.662 ( 5.089 0.000 8.003) 9.484 12.689 ( -2.306 0.000 10.120) 10.380 12.949 ( -0.830 0.000 -0.314) 0.888 13.128 ( 8.295 0.000 11.192) 13.931 13.178 ( 2.536 0.000 -2.515) 3.571 13.408 ( 7.446 0.000 -4.171) 8.535 13.435 ( 7.845 0.000 2.435) 8.214 13.772 ( -9.000 0.000 -6.093) 10.869 13.833 ( -1.774 0.000 0.385) 1.815 14.242 ( -4.531 0.000 6.672) 8.065 14.259 ( -9.324 0.000 3.981) 10.139 14.436 ( -3.095 0.000 -7.945) 8.527 14.774 ( 0.410 0.000 1.773) 1.820 14.824 ( -2.353 0.000 -1.994) 3.084 14.845 ( -7.526 0.000 -6.394) 9.876 14.907 ( -0.948 0.000 -0.658) 1.154 15.453 ( -5.593 0.000 7.514) 9.367 15.704 ( 7.242 0.000 2.450) 7.645 15.806 ( 3.390 0.000 -13.781) 14.192 15.839 ( 5.389 0.000 -9.476) 10.901 16.308 ( 2.082 0.000 5.340) 5.732 16.385 ( -0.172 0.000 16.627) 16.628 16.692 ( -2.818 0.000 -3.949) 4.851 16.703 ( 9.007 0.000 -3.058) 9.512 17.350 ( 2.452 0.000 3.452) 4.234 17.904 ( -0.590 0.000 -0.674) 0.896 18.131 ( -2.462 0.000 0.064) 2.463 18.328 ( -2.807 0.000 4.188) 5.042 18.415 ( -2.871 0.000 -4.117) 5.019 18.607 ( 2.294 0.000 -4.030) 4.637 18.682 ( -2.187 0.000 5.026) 5.481 18.932 ( -4.912 0.000 -9.234) 10.459 19.115 ( -4.327 0.000 3.895) 5.822 22.074 ( 8.797 0.000 0.076) 8.797 22.179 ( 9.591 0.000 0.023) 9.591 22.228 ( 7.124 0.000 -1.431) 7.266 22.617 ( -0.043 0.000 4.268) 4.268 27.252 ( -0.891 0.000 0.342) 0.954 27.353 ( -0.888 0.000 0.304) 0.939 27.429 ( -3.996 0.000 1.203) 4.173 27.495 ( -1.909 0.000 -0.053) 1.910 36.343 ( -4.791 0.000 2.674) 5.487 36.373 ( 1.526 0.000 -3.830) 4.123 37.168 ( -11.246 0.000 -6.590) 13.035 37.511 ( -16.224 0.000 19.542) 25.399 38.011 ( -13.993 0.000 -22.012) 26.083 38.326 ( -19.897 0.000 -3.302) 20.169 38.616 ( -12.865 0.000 -4.656) 13.682 39.200 ( -24.058 0.000 8.304) 25.451 ======================= Grid point 252 (130/150) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.145 ( 13.895 0.000 -9.184) 16.656 4.452 ( 11.566 0.000 -2.467) 11.826 4.614 ( 19.218 0.000 21.093) 28.535 5.327 ( 8.299 0.000 0.548) 8.317 5.384 ( -0.696 0.000 -16.774) 16.789 5.641 ( -0.918 0.000 -18.396) 18.419 5.681 ( 1.231 0.000 17.463) 17.507 6.235 ( 12.686 0.000 6.944) 14.462 6.316 ( 24.053 0.000 13.997) 27.829 6.466 ( 2.022 0.000 -10.005) 10.208 6.746 ( -2.675 0.000 -8.284) 8.706 6.777 ( 7.442 0.000 15.588) 17.274 7.103 ( 21.597 0.000 -14.316) 25.910 7.526 ( 4.087 0.000 -10.550) 11.314 7.783 ( 15.748 0.000 4.568) 16.398 7.955 ( 13.490 0.000 -2.645) 13.746 8.454 ( 13.164 0.000 -9.008) 15.951 8.482 ( 1.097 0.000 8.374) 8.445 8.618 ( 9.072 0.000 -6.021) 10.888 8.812 ( 12.573 0.000 0.031) 12.573 8.925 ( 5.024 0.000 -3.085) 5.896 9.142 ( 4.635 0.000 -2.987) 5.514 9.164 ( 5.799 0.000 13.499) 14.692 9.354 ( 0.316 0.000 0.776) 0.837 9.397 ( 18.193 0.000 -6.360) 19.273 9.584 ( -1.866 0.000 2.464) 3.091 9.757 ( 13.594 0.000 2.198) 13.771 10.005 ( 7.931 0.000 12.114) 14.480 10.243 ( 7.057 0.000 5.949) 9.230 10.421 ( 0.295 0.000 -9.629) 9.634 10.527 ( -6.299 0.000 0.820) 6.352 10.913 ( -8.735 0.000 -1.348) 8.838 11.790 ( 4.907 0.000 -7.346) 8.834 11.890 ( -1.870 0.000 -1.415) 2.345 12.397 ( -2.330 0.000 -4.622) 5.176 12.635 ( -7.411 0.000 14.125) 15.951 12.773 ( 4.794 0.000 -0.344) 4.807 12.924 ( -1.688 0.000 1.917) 2.554 13.238 ( 5.456 0.000 -8.017) 9.697 13.330 ( 6.470 0.000 17.108) 18.290 13.537 ( 6.931 0.000 -3.507) 7.768 13.583 ( 3.113 0.000 -1.489) 3.451 13.624 ( -1.057 0.000 0.135) 1.066 13.840 ( 1.719 0.000 2.235) 2.820 14.102 ( -8.425 0.000 3.453) 9.105 14.181 ( -4.003 0.000 6.446) 7.588 14.330 ( -3.394 0.000 -10.908) 11.424 14.667 ( -10.215 0.000 6.177) 11.937 14.693 ( -6.144 0.000 -3.984) 7.323 14.718 ( -4.756 0.000 -3.582) 5.954 14.999 ( 6.757 0.000 -6.174) 9.153 15.352 ( -6.265 0.000 3.951) 7.407 15.831 ( 4.969 0.000 -13.203) 14.107 15.843 ( 4.882 0.000 3.854) 6.220 15.938 ( 7.475 0.000 -8.603) 11.397 16.390 ( 4.012 0.000 6.294) 7.464 16.410 ( -3.900 0.000 16.624) 17.075 16.627 ( -2.220 0.000 -2.706) 3.500 16.885 ( 10.241 0.000 -0.311) 10.246 17.389 ( 0.483 0.000 1.390) 1.472 17.932 ( 2.911 0.000 1.918) 3.486 18.098 ( -0.689 0.000 -1.216) 1.398 18.279 ( -3.872 0.000 4.805) 6.171 18.334 ( -3.443 0.000 -5.835) 6.775 18.621 ( 0.214 0.000 -4.449) 4.454 18.648 ( -3.131 0.000 4.521) 5.500 18.842 ( -0.054 0.000 -11.003) 11.003 19.048 ( -4.519 0.000 5.440) 7.072 22.224 ( 6.592 0.000 0.633) 6.622 22.326 ( 5.732 0.000 -0.488) 5.753 22.343 ( 4.913 0.000 0.744) 4.969 22.597 ( -2.405 0.000 0.367) 2.433 27.241 ( -0.415 0.000 0.339) 0.536 27.326 ( -2.081 0.000 -0.541) 2.150 27.387 ( -0.794 0.000 1.896) 2.056 27.464 ( -1.263 0.000 -0.370) 1.316 36.290 ( -1.777 0.000 3.985) 4.363 36.423 ( 4.998 0.000 -3.390) 6.039 36.908 ( -12.236 0.000 -8.268) 14.767 37.257 ( -16.418 0.000 15.080) 22.292 37.747 ( -6.963 0.000 -12.591) 14.388 37.980 ( -14.441 0.000 -2.861) 14.721 38.408 ( -6.714 0.000 -4.852) 8.283 38.812 ( -18.939 0.000 7.655) 20.427 ======================= Grid point 253 (131/150) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.379 ( 12.362 0.000 -3.065) 12.736 4.613 ( 3.784 0.000 2.796) 4.705 4.970 ( 9.578 0.000 7.330) 12.061 5.265 ( -5.407 0.000 -11.060) 12.310 5.481 ( 7.627 0.000 15.979) 17.706 5.670 ( 10.892 0.000 -16.831) 20.048 5.718 ( -2.421 0.000 10.125) 10.411 6.320 ( -12.283 0.000 -13.936) 18.576 6.452 ( 7.493 0.000 6.849) 10.152 6.661 ( -1.982 0.000 -6.130) 6.443 6.763 ( 15.692 0.000 8.144) 17.680 6.931 ( 2.868 0.000 13.041) 13.352 7.390 ( 12.392 0.000 -13.213) 18.115 7.515 ( 0.131 0.000 -9.092) 9.093 8.082 ( 12.411 0.000 6.644) 14.077 8.204 ( 10.402 0.000 0.478) 10.413 8.505 ( -1.165 0.000 10.173) 10.239 8.566 ( 3.909 0.000 -19.610) 19.996 8.734 ( 6.795 0.000 -4.832) 8.338 8.966 ( -1.164 0.000 -1.140) 1.630 9.033 ( 8.245 0.000 1.983) 8.480 9.171 ( -1.811 0.000 4.765) 5.097 9.323 ( 6.567 0.000 5.467) 8.545 9.400 ( 3.442 0.000 7.559) 8.305 9.521 ( 0.369 0.000 -2.133) 2.164 9.564 ( -1.168 0.000 -4.516) 4.664 10.085 ( 16.490 0.000 -1.117) 16.528 10.191 ( 6.584 0.000 11.414) 13.176 10.334 ( 0.256 0.000 3.137) 3.148 10.399 ( 1.864 0.000 -6.103) 6.381 10.450 ( -1.526 0.000 -6.202) 6.387 10.732 ( -9.765 0.000 1.235) 9.843 11.860 ( 4.591 0.000 -9.288) 10.360 11.868 ( -0.440 0.000 1.631) 1.690 12.346 ( -0.134 0.000 -4.431) 4.433 12.519 ( -9.318 0.000 12.273) 15.410 12.850 ( 3.980 0.000 -3.955) 5.611 12.908 ( -1.256 0.000 4.222) 4.405 13.322 ( 6.414 0.000 -9.346) 11.335 13.475 ( -1.379 0.000 15.438) 15.499 13.542 ( 2.142 0.000 2.312) 3.151 13.636 ( 4.276 0.000 -3.722) 5.669 13.730 ( 4.858 0.000 1.073) 4.975 13.906 ( 3.936 0.000 1.951) 4.392 13.953 ( -8.044 0.000 3.146) 8.637 14.121 ( -4.268 0.000 -0.835) 4.349 14.273 ( 2.257 0.000 -6.525) 6.904 14.503 ( -8.951 0.000 5.787) 10.659 14.583 ( -4.147 0.000 0.079) 4.148 14.606 ( -4.239 0.000 -5.294) 6.782 15.089 ( 4.999 0.000 -5.488) 7.423 15.250 ( -5.451 0.000 2.700) 6.083 15.884 ( 4.162 0.000 -8.437) 9.408 15.913 ( 1.204 0.000 2.829) 3.075 16.066 ( 9.592 0.000 -11.248) 14.783 16.349 ( -8.542 0.000 16.116) 18.240 16.492 ( 3.892 0.000 4.539) 5.979 16.592 ( -0.919 0.000 -1.328) 1.615 17.088 ( 9.947 0.000 2.833) 10.342 17.372 ( -2.532 0.000 -1.591) 2.990 18.012 ( 3.978 0.000 2.936) 4.944 18.094 ( 0.633 0.000 -1.585) 1.707 18.220 ( -3.953 0.000 5.866) 7.074 18.245 ( -3.039 0.000 -7.292) 7.900 18.587 ( -1.030 0.000 -5.299) 5.398 18.600 ( -3.189 0.000 4.178) 5.256 18.848 ( 4.159 0.000 -10.035) 10.862 18.979 ( -5.047 0.000 7.043) 8.665 22.335 ( 4.492 0.000 0.986) 4.599 22.399 ( 2.098 0.000 -0.795) 2.244 22.424 ( 2.977 0.000 2.013) 3.593 22.541 ( -2.875 0.000 -1.796) 3.390 27.240 ( 0.264 0.000 0.206) 0.335 27.283 ( -1.919 0.000 -0.229) 1.933 27.395 ( 0.693 0.000 1.333) 1.503 27.440 ( -1.080 0.000 -0.634) 1.252 36.311 ( 2.292 0.000 5.714) 6.156 36.522 ( 4.365 0.000 -4.796) 6.484 36.673 ( -6.031 0.000 -8.046) 10.056 36.997 ( -15.090 0.000 10.208) 18.218 37.633 ( -1.549 0.000 -5.867) 6.068 37.750 ( -8.653 0.000 -0.835) 8.693 38.323 ( -0.080 0.000 -5.488) 5.488 38.530 ( -12.988 0.000 6.912) 14.713 ======================= Grid point 254 (132/150) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.577 ( -7.664 0.000 0.702) 7.696 4.577 ( 7.664 0.000 -0.702) 7.696 5.117 ( -6.077 0.000 -6.034) 8.564 5.117 ( 6.077 0.000 6.034) 8.564 5.663 ( -5.678 0.000 0.821) 5.737 5.663 ( 5.677 0.000 -0.821) 5.736 5.957 ( -18.369 0.000 -9.716) 20.780 5.957 ( 18.369 0.000 9.716) 20.780 6.584 ( -3.833 0.000 -6.600) 7.632 6.584 ( 3.832 0.000 6.600) 7.632 6.963 ( 3.678 0.000 -2.170) 4.271 6.963 ( -3.679 0.000 2.170) 4.271 7.489 ( 2.246 0.000 -2.900) 3.668 7.489 ( -2.246 0.000 2.900) 3.668 8.273 ( -4.066 0.000 -1.702) 4.408 8.273 ( 4.066 0.000 1.702) 4.407 8.530 ( 1.220 0.000 -16.746) 16.790 8.530 ( -1.220 0.000 16.746) 16.790 8.869 ( 8.417 0.000 -4.872) 9.726 8.869 ( -8.418 0.000 4.872) 9.726 9.131 ( 3.297 0.000 -2.626) 4.214 9.131 ( -3.297 0.000 2.626) 4.214 9.470 ( -5.985 0.000 -4.792) 7.667 9.470 ( 5.985 0.000 4.792) 7.667 9.493 ( -2.118 0.000 -6.977) 7.291 9.493 ( 2.118 0.000 6.977) 7.291 10.279 ( 5.438 0.000 -6.365) 8.371 10.279 ( -5.438 0.000 6.365) 8.371 10.351 ( -4.854 0.000 -3.410) 5.932 10.351 ( 4.854 0.000 3.410) 5.932 10.539 ( 11.277 0.000 -5.238) 12.434 10.539 ( -11.277 0.000 5.238) 12.434 11.878 ( 0.656 0.000 -6.502) 6.535 11.878 ( -0.656 0.000 6.502) 6.535 12.390 ( 6.848 0.000 -7.704) 10.308 12.390 ( -6.848 0.000 7.704) 10.308 12.894 ( 2.322 0.000 -5.187) 5.683 12.894 ( -2.322 0.000 5.187) 5.683 13.413 ( 6.471 0.000 -9.571) 11.554 13.413 ( -6.471 0.000 9.571) 11.554 13.645 ( -1.995 0.000 -7.522) 7.782 13.645 ( 1.995 0.000 7.522) 7.782 13.817 ( -5.453 0.000 0.984) 5.541 13.817 ( 5.453 0.000 -0.984) 5.541 14.014 ( -5.039 0.000 -4.817) 6.971 14.014 ( 5.039 0.000 4.817) 6.971 14.360 ( 7.538 0.000 -4.038) 8.552 14.360 ( -7.538 0.000 4.038) 8.552 14.546 ( 0.176 0.000 -3.859) 3.863 14.546 ( -0.176 0.000 3.859) 3.863 15.163 ( 4.691 0.000 -3.524) 5.867 15.163 ( -4.692 0.000 3.524) 5.867 15.919 ( 1.698 0.000 -4.053) 4.395 15.919 ( -1.698 0.000 4.053) 4.395 16.217 ( 10.490 0.000 -14.285) 17.723 16.217 ( -10.490 0.000 14.285) 17.723 16.562 ( -2.041 0.000 -1.924) 2.805 16.562 ( 2.041 0.000 1.925) 2.805 17.270 ( -7.005 0.000 -3.688) 7.917 17.270 ( 7.005 0.000 3.688) 7.917 18.086 ( -1.985 0.000 -1.576) 2.535 18.086 ( 1.985 0.000 1.576) 2.535 18.188 ( 1.115 0.000 -7.885) 7.964 18.188 ( -1.115 0.000 7.886) 7.964 18.569 ( 1.373 0.000 -4.642) 4.841 18.569 ( -1.373 0.000 4.642) 4.841 18.907 ( 5.208 0.000 -8.608) 10.061 18.907 ( -5.208 0.000 8.608) 10.061 22.400 ( -1.681 0.000 -0.897) 1.905 22.400 ( 1.681 0.000 0.897) 1.905 22.481 ( -2.343 0.000 -2.544) 3.459 22.481 ( 2.343 0.000 2.544) 3.459 27.253 ( -1.086 0.000 -0.138) 1.095 27.253 ( 1.086 0.000 0.138) 1.095 27.417 ( -1.032 0.000 -0.929) 1.389 27.417 ( 1.032 0.000 0.929) 1.389 36.421 ( -6.280 0.000 -7.328) 9.651 36.421 ( 6.280 0.000 7.328) 9.651 36.762 ( 11.923 0.000 -6.560) 13.608 36.762 ( -11.923 0.000 6.560) 13.608 37.637 ( 3.361 0.000 -1.912) 3.867 37.637 ( -3.361 0.000 1.912) 3.867 38.364 ( 6.575 0.000 -6.192) 9.032 38.364 ( -6.575 0.000 6.192) 9.032 ======================= Grid point 263 (133/150) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 4.084 4.517 -34.801) 35.330 2.504 ( -4.084 4.517 34.801) 35.330 3.271 ( 7.481 8.412 -34.190) 35.996 3.271 ( -7.481 8.412 34.190) 35.996 3.684 ( 6.551 -7.135 -4.329) 10.609 3.684 ( -6.551 -7.135 4.329) 10.609 4.458 ( 2.828 6.937 -7.186) 10.381 4.458 ( -2.828 6.937 7.186) 10.381 5.209 ( -2.265 -17.280 -25.320) 30.737 5.209 ( 2.265 -17.280 25.320) 30.737 5.807 ( -3.650 2.600 -21.589) 22.049 5.807 ( 3.650 2.600 21.589) 22.049 6.060 ( 2.060 7.121 -36.165) 36.917 6.060 ( -2.060 7.121 36.165) 36.917 6.710 ( -4.351 -2.827 -12.752) 13.767 6.710 ( 4.351 -2.827 12.752) 13.767 6.929 ( 2.514 1.760 -4.743) 5.649 6.929 ( -2.514 1.760 4.743) 5.649 7.286 ( -0.584 -2.204 -3.515) 4.189 7.286 ( 0.584 -2.204 3.515) 4.189 7.913 ( -3.174 -5.047 -8.511) 10.391 7.913 ( 3.174 -5.047 8.511) 10.391 8.054 ( -1.603 3.715 -19.107) 19.531 8.054 ( 1.603 3.715 19.107) 19.531 9.498 ( 0.242 -3.272 -5.164) 6.118 9.498 ( -0.242 -3.272 5.164) 6.118 10.299 ( 6.156 -2.218 -7.664) 10.078 10.299 ( -6.156 -2.218 7.664) 10.078 10.774 ( -7.798 4.428 -1.683) 9.124 10.774 ( 7.798 4.428 1.683) 9.124 11.300 ( -1.703 0.319 0.280) 1.755 11.300 ( 1.703 0.319 -0.280) 1.755 11.525 ( -6.066 -11.330 -0.051) 12.852 11.525 ( 6.066 -11.330 0.051) 12.852 11.920 ( -2.873 -1.524 -0.281) 3.264 11.920 ( 2.873 -1.524 0.281) 3.264 12.698 ( -4.850 7.443 -2.077) 9.124 12.698 ( 4.850 7.443 2.077) 9.124 13.179 ( -2.555 -0.924 -2.785) 3.890 13.179 ( 2.555 -0.924 2.785) 3.890 13.527 ( -1.308 -0.155 -4.457) 4.648 13.527 ( 1.308 -0.155 4.457) 4.648 13.797 ( -9.061 0.356 -1.104) 9.135 13.797 ( 9.061 0.356 1.104) 9.135 14.099 ( -2.048 -0.371 -0.955) 2.290 14.099 ( 2.048 -0.371 0.955) 2.290 14.498 ( -2.772 -7.353 -5.072) 9.352 14.498 ( 2.772 -7.353 5.072) 9.352 14.834 ( -7.828 1.581 -3.539) 8.735 14.834 ( 7.828 1.581 3.539) 8.735 15.312 ( -6.667 -4.086 -6.131) 9.937 15.312 ( 6.667 -4.086 6.131) 9.937 15.349 ( -4.368 0.807 -4.981) 6.674 15.349 ( 4.368 0.807 4.981) 6.674 16.058 ( -0.840 -11.190 -12.588) 16.864 16.058 ( 0.840 -11.190 12.588) 16.864 16.673 ( -0.777 12.847 -11.404) 17.196 16.673 ( 0.777 12.847 11.404) 17.196 17.544 ( -7.053 26.121 -20.115) 33.715 17.544 ( 7.053 26.121 20.115) 33.715 18.287 ( 0.263 -8.599 -6.155) 10.578 18.287 ( -0.263 -8.599 6.155) 10.578 18.417 ( -0.720 -0.498 -2.696) 2.835 18.417 ( 0.720 -0.498 2.696) 2.835 19.097 ( -1.868 -3.319 -3.894) 5.447 19.097 ( 1.868 -3.319 3.894) 5.447 19.485 ( -1.416 -5.344 -6.930) 8.865 19.485 ( 1.416 -5.344 6.930) 8.865 21.119 ( -0.431 -0.055 -0.783) 0.896 21.119 ( 0.431 -0.055 0.783) 0.896 21.184 ( -4.023 -2.039 -1.135) 4.651 21.184 ( 4.023 -2.039 1.135) 4.651 27.526 ( -0.781 3.830 -2.163) 4.467 27.526 ( 0.781 3.830 2.163) 4.467 27.779 ( 1.214 -1.386 -1.748) 2.540 27.779 ( -1.214 -1.386 1.748) 2.540 36.848 ( -0.153 12.281 -9.169) 15.327 36.848 ( 0.153 12.281 9.169) 15.327 37.940 ( 0.155 -6.594 -20.520) 21.554 37.940 ( -0.155 -6.594 20.520) 21.554 40.154 ( 0.969 6.210 -7.907) 10.101 40.154 ( -0.969 6.210 7.907) 10.101 41.034 ( 8.572 -13.855 -3.555) 16.676 41.034 ( -8.572 -13.855 3.555) 16.676 ======================= Grid point 265 (134/150) ======================= q-point: ( 0.06 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 17.356 1.747 -21.401) 27.610 2.776 ( 20.339 5.915 11.534) 24.118 3.321 ( 8.525 6.697 -13.644) 17.426 3.378 ( 6.952 13.841 10.106) 18.494 3.739 ( 10.818 -8.154 7.910) 15.688 3.917 ( 17.402 -10.236 -1.937) 20.282 4.524 ( 8.735 10.180 0.315) 13.418 4.640 ( 15.549 4.600 -5.070) 16.989 5.101 ( 1.831 -15.423 -22.868) 27.643 5.381 ( 7.022 -16.660 18.515) 25.878 5.617 ( 2.607 11.198 -48.609) 49.950 5.848 ( 0.198 -4.847 -0.724) 4.905 6.098 ( 5.384 1.894 3.177) 6.532 6.359 ( 10.571 8.008 51.610) 53.287 6.691 ( 6.596 -5.322 -15.147) 17.356 6.916 ( 6.681 5.005 2.115) 8.611 6.941 ( 6.646 -3.750 6.977) 10.340 7.016 ( 6.452 -2.012 10.757) 12.704 7.373 ( 11.087 -2.826 -4.007) 12.123 7.434 ( 12.210 -1.703 4.904) 13.267 7.841 ( 0.698 0.501 -10.041) 10.078 7.939 ( 0.206 1.903 -12.579) 12.724 8.041 ( 5.169 0.515 3.309) 6.159 8.173 ( 3.192 0.556 15.182) 15.524 9.443 ( -3.259 -5.692 -3.911) 7.637 9.507 ( -1.199 -1.250 1.390) 2.221 10.087 ( -14.750 0.443 7.638) 16.616 10.299 ( -5.154 -0.273 -4.927) 7.135 10.575 ( -10.218 2.694 -8.303) 13.438 10.867 ( 0.706 5.071 -0.976) 5.212 11.184 ( -14.230 -4.660 4.767) 15.714 11.355 ( 5.411 -3.093 0.322) 6.240 11.423 ( -5.197 -9.469 4.626) 11.750 11.591 ( 12.052 -2.737 -1.659) 12.470 12.059 ( 10.981 -4.176 1.698) 11.871 12.156 ( 15.244 -1.562 -0.950) 15.353 12.564 ( -4.865 5.518 -2.749) 7.854 12.701 ( -6.148 8.288 5.642) 11.761 13.072 ( -5.455 -1.206 -4.402) 7.113 13.191 ( -1.451 2.816 2.092) 3.796 13.426 ( -9.372 0.007 5.784) 11.013 13.493 ( -3.159 3.624 -2.902) 5.615 13.754 ( 5.645 -8.657 -0.266) 10.339 14.031 ( 8.030 -0.225 -2.666) 8.464 14.142 ( 9.791 -1.624 0.256) 9.928 14.302 ( 13.925 -0.620 -2.900) 14.238 14.417 ( -3.332 -3.983 0.317) 5.203 14.528 ( -1.036 -5.802 1.261) 6.027 14.756 ( 2.357 0.237 -1.330) 2.716 14.967 ( -1.383 3.199 -1.482) 3.787 15.129 ( -2.407 -1.255 -2.237) 3.517 15.302 ( 0.482 -1.584 -2.842) 3.289 15.395 ( 3.670 -2.626 3.630) 5.792 15.565 ( 9.560 -2.016 5.940) 11.434 15.953 ( -3.726 -10.521 -9.805) 14.856 16.101 ( -0.722 -9.432 3.109) 9.958 16.607 ( -1.868 12.597 -7.605) 14.832 16.707 ( -2.099 11.565 12.015) 16.808 17.293 ( -10.572 28.399 -13.024) 32.983 17.711 ( 0.187 20.683 17.495) 27.091 18.211 ( -5.879 -8.677 -5.584) 11.875 18.271 ( -3.545 -9.906 5.713) 11.972 18.387 ( -0.928 -2.843 -2.565) 3.940 18.430 ( -0.458 -0.191 1.950) 2.012 18.905 ( -10.988 1.760 -4.380) 11.960 18.991 ( -9.978 0.380 2.594) 10.317 19.438 ( -2.549 -6.414 -4.591) 8.290 19.553 ( -0.971 -7.533 5.900) 9.618 21.152 ( 6.839 1.011 -0.281) 6.919 21.205 ( 9.698 1.198 -0.584) 9.789 21.353 ( 15.294 -4.360 -0.277) 15.906 21.398 ( 16.697 -2.987 0.501) 16.970 27.478 ( -2.936 3.763 -2.262) 5.282 27.528 ( -1.341 3.792 1.336) 4.238 27.737 ( -3.584 -1.538 1.968) 4.368 27.767 ( -1.829 -1.328 -1.190) 2.555 36.781 ( -2.989 11.532 -8.442) 14.601 36.858 ( -2.417 12.579 6.899) 14.549 37.837 ( -3.330 -6.029 -17.435) 18.746 37.979 ( -4.116 -7.033 21.752) 23.228 40.006 ( -12.839 4.455 -3.756) 14.099 40.063 ( -10.505 6.907 -0.107) 12.573 40.637 ( -30.367 -9.810 -7.041) 32.679 40.964 ( -13.026 -13.106 -2.189) 18.607 ======================= Grid point 266 (135/150) ======================= q-point: ( 0.12 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 23.476 0.594 -16.451) 28.672 3.306 ( 27.217 6.180 6.746) 28.713 3.449 ( 16.634 5.174 -35.562) 39.599 3.652 ( 12.417 14.943 33.715) 38.913 4.127 ( 25.172 -7.629 0.831) 26.316 4.269 ( 17.637 -13.027 -1.861) 22.005 4.734 ( 14.551 16.627 -12.018) 25.152 4.951 ( 17.121 -1.001 -4.519) 17.736 5.164 ( 13.109 -10.707 -15.383) 22.872 5.629 ( 17.430 -4.664 -24.812) 30.679 5.662 ( 12.885 -2.219 3.486) 13.531 5.880 ( 4.614 -2.749 -1.658) 5.621 6.244 ( 7.732 -0.598 9.153) 11.997 6.684 ( 4.342 -6.387 -2.774) 8.207 6.815 ( 10.664 1.780 28.181) 30.184 7.027 ( 5.538 1.095 6.598) 8.683 7.165 ( 13.735 -1.639 -0.313) 13.836 7.281 ( 15.219 -5.221 9.310) 18.589 7.620 ( 12.214 0.211 -4.457) 13.004 7.757 ( 20.113 0.075 1.539) 20.172 7.955 ( 13.529 8.374 -4.785) 16.615 7.992 ( 12.759 3.579 -3.959) 13.830 8.174 ( 7.074 3.358 1.944) 8.068 8.301 ( 5.526 -2.866 11.846) 13.382 9.346 ( -4.589 -6.848 -6.497) 10.496 9.460 ( -4.633 -1.146 3.922) 6.177 9.839 ( -12.309 2.726 4.331) 13.330 10.120 ( -10.236 3.258 -3.996) 11.461 10.357 ( -7.823 3.202 -11.243) 14.067 10.812 ( -6.020 4.744 4.423) 8.849 10.926 ( -10.571 -7.974 1.209) 13.296 11.275 ( -9.907 -9.457 8.092) 15.908 11.616 ( 16.219 -0.377 2.086) 16.357 11.866 ( 13.654 -2.259 -2.328) 14.034 12.237 ( 6.743 -3.656 0.784) 7.710 12.343 ( 2.174 4.195 -0.934) 4.817 12.551 ( -0.084 1.842 1.602) 2.443 12.639 ( 5.858 2.325 1.942) 6.595 12.935 ( -6.490 -0.863 -6.419) 9.169 13.187 ( -0.296 5.453 4.510) 7.083 13.279 ( -6.131 0.124 4.197) 7.431 13.428 ( -3.554 4.055 -0.783) 5.449 13.865 ( 4.307 -11.462 -0.503) 12.255 14.160 ( 6.719 0.651 -1.230) 6.862 14.214 ( -3.151 -10.446 -4.313) 11.732 14.343 ( -1.342 -4.893 1.753) 5.368 14.568 ( 12.117 0.443 -1.981) 12.285 14.631 ( 8.276 5.460 0.772) 9.945 14.773 ( -6.063 2.644 -2.525) 7.080 14.879 ( 4.293 0.283 -2.970) 5.228 15.112 ( -2.848 -3.707 -0.864) 4.754 15.366 ( 4.471 4.059 3.618) 7.040 15.525 ( 8.387 -4.383 2.743) 9.853 15.666 ( -0.605 -5.319 -6.989) 8.804 15.917 ( 3.706 -6.378 -1.509) 7.529 16.064 ( -2.717 -5.346 1.193) 6.114 16.548 ( -2.840 12.297 -3.358) 13.059 16.681 ( -4.562 9.696 9.458) 14.293 17.070 ( -7.862 23.870 -6.381) 25.929 17.610 ( -14.623 9.327 5.974) 18.345 18.061 ( -5.255 -8.975 -6.823) 12.438 18.229 ( -2.852 -5.530 6.845) 9.250 18.371 ( 0.264 -5.179 -1.868) 5.512 18.414 ( -1.673 -0.518 1.627) 2.390 18.752 ( -3.518 7.313 -2.601) 8.522 18.838 ( -6.345 2.736 2.691) 7.415 19.344 ( -5.243 -6.323 -2.794) 8.676 19.454 ( -9.711 -6.966 3.080) 12.341 21.376 ( 14.430 1.555 -0.333) 14.517 21.442 ( 14.066 2.644 0.186) 14.314 21.621 ( 14.126 -4.259 -6.528) 16.134 21.823 ( 21.527 -6.564 10.981) 25.041 27.407 ( -3.263 3.597 -2.211) 5.336 27.491 ( -2.780 3.368 1.164) 4.519 27.664 ( -4.459 -1.757 1.736) 5.097 27.704 ( -4.222 -1.258 -0.531) 4.437 36.678 ( -4.236 10.497 -8.019) 13.872 36.806 ( -5.322 12.278 5.516) 14.474 37.690 ( -5.654 -5.335 -13.691) 15.744 37.941 ( -8.206 -7.311 22.066) 24.652 39.649 ( -21.719 1.627 -5.922) 22.570 39.765 ( -20.191 7.211 -3.500) 21.724 39.919 ( -34.270 -3.585 -18.584) 39.149 40.590 ( -24.257 -10.459 3.683) 26.672 ======================= Grid point 267 (136/150) ======================= q-point: ( 0.19 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( 19.549 1.302 -9.990) 21.992 3.585 ( 15.627 7.284 -21.823) 27.812 3.952 ( 27.280 6.131 -3.107) 28.132 4.042 ( 19.136 9.049 17.100) 27.212 4.497 ( 14.858 -13.041 -8.495) 21.517 4.710 ( 27.025 -5.308 9.755) 29.218 5.032 ( 21.979 14.646 -17.890) 31.900 5.279 ( 16.925 -1.285 4.937) 17.677 5.471 ( 21.064 -8.962 -6.679) 23.845 5.824 ( 10.851 -6.307 -16.584) 20.798 5.966 ( 11.098 -6.576 9.478) 16.008 6.093 ( 19.462 3.803 -14.677) 24.671 6.488 ( 14.229 -0.579 9.014) 16.854 6.735 ( 8.592 -10.788 -11.788) 18.143 7.020 ( 1.263 -1.668 16.023) 16.159 7.263 ( 15.148 3.088 11.310) 19.155 7.452 ( 13.000 -5.207 15.346) 20.775 7.664 ( 23.143 2.018 -8.554) 24.756 7.840 ( 13.985 5.447 -4.981) 15.813 8.126 ( 15.750 3.636 -0.632) 16.176 8.272 ( 17.867 5.776 -2.398) 18.930 8.347 ( 15.907 6.985 3.578) 17.737 8.403 ( 21.487 2.234 5.391) 22.266 8.499 ( 11.869 -5.960 6.783) 14.913 9.229 ( -4.541 -6.342 -6.275) 10.011 9.372 ( -5.921 -2.656 7.531) 9.941 9.666 ( -6.156 2.437 0.634) 6.651 9.916 ( -8.897 3.097 -2.153) 9.663 10.193 ( -5.347 5.851 -9.486) 12.361 10.693 ( -7.993 3.884 7.150) 11.406 10.793 ( -4.087 -7.015 -0.225) 8.121 11.136 ( -6.731 -9.202 6.090) 12.925 11.866 ( 5.998 -1.334 -1.943) 6.445 12.089 ( 12.268 -0.526 0.932) 12.314 12.251 ( -6.966 10.977 1.799) 13.125 12.409 ( 8.236 -4.104 4.980) 10.464 12.595 ( 2.586 -2.811 -2.873) 4.779 12.811 ( 7.414 -0.673 -0.542) 7.464 12.847 ( 2.704 -1.506 -4.454) 5.424 13.177 ( -2.707 1.048 8.407) 8.894 13.252 ( 1.263 4.072 2.341) 4.864 13.351 ( -3.509 4.270 -1.279) 5.672 13.869 ( -3.491 -11.405 -2.570) 12.201 14.095 ( -6.756 -10.389 2.460) 12.634 14.273 ( 4.505 2.619 -2.098) 5.617 14.369 ( 2.624 -4.201 -3.559) 6.099 14.579 ( -4.463 2.126 -6.108) 7.857 14.751 ( 6.389 1.495 1.175) 6.666 14.790 ( 2.148 10.779 3.024) 11.399 14.978 ( 2.877 -3.360 -1.454) 4.656 15.040 ( -2.322 -5.384 -2.996) 6.585 15.455 ( 2.686 9.756 6.296) 11.918 15.583 ( -0.832 -11.486 -8.181) 14.127 15.704 ( 6.919 1.704 0.968) 7.191 15.940 ( 0.186 -1.926 -13.979) 14.113 16.096 ( 2.714 -4.821 13.822) 14.888 16.446 ( -6.803 12.312 0.296) 14.070 16.612 ( -4.692 6.568 4.163) 9.082 16.964 ( -1.850 14.690 -2.636) 15.038 17.340 ( -10.143 -0.253 -2.729) 10.506 17.961 ( -3.496 -7.564 -3.729) 9.129 18.189 ( -3.580 -3.234 3.185) 5.781 18.381 ( 0.464 -5.220 -1.860) 5.561 18.391 ( -0.910 0.086 4.720) 4.808 18.704 ( -1.420 7.041 -2.839) 7.723 18.765 ( -2.842 3.763 4.720) 6.672 19.224 ( -6.783 -5.383 -3.478) 9.332 19.267 ( -8.449 -4.049 1.660) 9.515 21.648 ( 13.511 0.494 -1.738) 13.631 21.733 ( 14.777 4.393 2.250) 15.580 21.853 ( 12.364 -3.543 -6.441) 14.384 22.227 ( 14.759 -7.473 12.268) 20.596 27.344 ( -2.479 3.121 -1.387) 4.220 27.438 ( -2.852 2.574 1.064) 3.987 27.585 ( -4.046 -1.860 1.185) 4.608 27.609 ( -5.279 -1.109 0.067) 5.395 36.567 ( -4.103 9.212 -6.970) 12.259 36.700 ( -7.220 11.412 4.338) 14.183 37.522 ( -7.253 -4.634 -9.531) 12.842 37.828 ( -11.644 -7.340 21.322) 25.379 39.093 ( -29.332 1.857 -26.170) 39.353 39.208 ( -26.048 -1.802 -6.341) 26.869 39.411 ( -20.709 6.215 -2.910) 21.817 40.100 ( -27.612 -8.188 7.183) 29.683 ======================= Grid point 268 (137/150) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( 14.751 -0.434 -13.146) 19.764 3.871 ( 19.742 9.224 -10.362) 24.129 4.222 ( 8.911 12.012 0.661) 14.971 4.596 ( 27.576 -8.384 -5.957) 29.432 4.809 ( 18.491 -7.324 6.505) 20.925 5.199 ( 17.513 -7.425 6.020) 19.952 5.396 ( 17.822 5.820 -2.529) 18.918 5.658 ( 20.143 10.717 4.659) 23.287 5.804 ( 13.824 -12.862 -6.629) 20.012 6.049 ( 19.687 -3.861 -12.257) 23.510 6.138 ( 5.679 -2.248 6.056) 8.601 6.401 ( 18.222 0.555 -13.594) 22.741 6.789 ( 5.530 3.485 6.231) 9.030 6.895 ( 16.903 -8.690 -5.393) 19.757 7.265 ( 19.919 0.809 7.487) 21.296 7.582 ( 13.702 0.904 9.037) 16.439 7.769 ( 13.520 -2.028 10.094) 16.994 8.061 ( 21.384 2.945 -12.541) 24.964 8.116 ( 15.776 5.469 -4.350) 17.254 8.370 ( 11.438 1.723 -4.997) 12.600 8.583 ( 18.494 7.971 0.148) 20.139 8.724 ( 11.636 -3.109 9.001) 15.036 8.752 ( 18.099 3.338 -4.653) 18.984 8.845 ( 16.531 1.666 3.767) 17.036 9.174 ( 2.934 -7.119 0.021) 7.700 9.310 ( -3.135 -3.732 7.670) 9.088 9.608 ( -0.731 -1.638 0.679) 1.918 9.789 ( -3.335 2.446 3.800) 5.616 10.084 ( -2.716 6.214 -5.361) 8.645 10.564 ( -6.992 1.430 2.724) 7.639 10.741 ( -2.312 -3.084 1.822) 4.263 11.057 ( -3.454 -8.208 2.077) 9.144 11.870 ( -1.690 2.909 -3.306) 4.717 12.117 ( -6.583 9.308 -1.395) 11.486 12.303 ( 7.479 -6.910 -4.415) 11.098 12.553 ( 4.919 -1.404 12.203) 13.232 12.666 ( 3.700 1.169 4.403) 5.869 12.903 ( 4.864 -1.049 -2.836) 5.727 12.952 ( 5.060 -1.625 -0.743) 5.366 13.191 ( 1.234 0.870 6.763) 6.929 13.295 ( 2.355 0.982 3.258) 4.138 13.323 ( 2.274 3.431 -3.467) 5.382 13.752 ( -5.978 -9.785 -4.016) 12.149 13.977 ( -6.716 -8.935 3.684) 11.769 14.239 ( -5.672 5.530 -3.793) 8.783 14.421 ( 3.986 -0.569 -4.311) 5.899 14.539 ( -1.281 -0.515 -0.108) 1.385 14.798 ( 1.166 6.112 -0.096) 6.223 14.850 ( 2.584 6.845 -0.614) 7.342 14.909 ( -6.464 -5.086 1.356) 8.336 15.008 ( -2.847 -2.430 -4.501) 5.854 15.518 ( 1.103 2.674 3.559) 4.586 15.602 ( 3.400 -0.993 0.851) 3.643 15.781 ( 2.360 2.764 -4.654) 5.905 15.884 ( 0.193 2.007 -12.700) 12.859 16.188 ( 2.372 -5.113 6.797) 8.830 16.342 ( -4.658 3.805 10.426) 12.037 16.555 ( -1.403 -0.045 -0.948) 1.694 16.933 ( -0.074 11.593 -4.979) 12.617 17.257 ( 0.888 -3.296 1.604) 3.771 17.894 ( -2.014 -4.802 -2.738) 5.883 18.124 ( -3.353 -4.289 0.421) 5.460 18.362 ( -1.714 -0.838 1.724) 2.572 18.411 ( 0.316 -2.244 2.429) 3.322 18.666 ( -1.093 4.785 -3.647) 6.115 18.743 ( -1.922 4.044 5.352) 6.978 19.058 ( -6.837 -2.639 -6.385) 9.720 19.163 ( -4.404 -2.695 2.276) 5.642 21.883 ( 11.362 0.359 -1.195) 11.431 22.000 ( 11.726 2.605 0.672) 12.031 22.056 ( 10.615 -0.974 -3.053) 11.088 22.472 ( 6.738 -6.222 8.476) 12.488 27.301 ( -1.661 2.474 -0.444) 3.013 27.394 ( -2.044 1.695 0.783) 2.769 27.508 ( -5.078 -0.894 0.618) 5.193 27.521 ( -2.951 -1.754 0.599) 3.485 36.476 ( -2.667 7.516 -5.813) 9.869 36.571 ( -7.391 10.203 3.879) 13.183 37.338 ( -8.898 -4.094 -6.331) 11.663 37.654 ( -14.094 -7.111 19.758) 25.290 38.483 ( -22.494 2.397 -26.517) 34.855 38.712 ( -23.023 -3.476 -6.046) 24.056 39.014 ( -19.044 6.461 -1.536) 20.169 39.599 ( -26.659 -6.428 8.116) 28.599 ======================= Grid point 269 (138/150) ======================= q-point: ( 0.31 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.823 ( 12.580 -2.396 -10.916) 16.827 4.240 ( 21.326 8.088 -9.927) 24.875 4.394 ( 7.695 4.352 7.188) 11.394 4.976 ( 15.504 -5.944 -3.533) 16.977 5.184 ( 15.174 -10.009 -7.100) 19.515 5.502 ( 13.005 -6.876 18.036) 23.275 5.629 ( 7.170 -0.228 -0.027) 7.173 5.884 ( 6.545 6.585 -13.850) 16.674 6.147 ( 15.470 -3.162 12.749) 20.294 6.282 ( 11.608 7.640 5.583) 14.976 6.402 ( 15.604 -8.615 -8.262) 19.646 6.731 ( 18.335 -0.944 -4.835) 18.985 6.875 ( 8.488 7.892 -0.459) 11.599 7.291 ( 21.234 -2.404 -0.842) 21.387 7.652 ( 14.170 5.745 -1.317) 15.347 7.851 ( 12.518 8.377 4.619) 15.754 8.028 ( 12.242 -5.528 -0.195) 13.434 8.383 ( 14.042 3.072 -3.065) 14.697 8.419 ( 17.740 2.075 -9.029) 20.014 8.577 ( 11.885 -2.131 -3.228) 12.498 8.856 ( 1.455 0.539 -3.238) 3.590 8.902 ( 13.174 1.368 -5.379) 14.296 9.025 ( 14.480 1.570 2.497) 14.778 9.122 ( 11.072 1.913 5.524) 12.521 9.275 ( 0.135 -5.273 2.683) 5.918 9.409 ( 13.720 -3.545 2.945) 14.474 9.601 ( -0.923 -3.638 4.099) 5.558 9.845 ( 4.888 -0.354 10.860) 11.914 10.066 ( 2.286 2.358 -0.116) 3.286 10.457 ( -4.002 -0.689 -1.409) 4.299 10.694 ( -3.291 2.306 0.913) 4.121 10.996 ( -3.539 -5.381 -1.448) 6.602 11.837 ( 0.615 5.506 -5.159) 7.571 12.001 ( -4.418 5.262 -2.037) 7.166 12.358 ( 1.415 -6.534 -3.512) 7.552 12.682 ( -0.989 1.091 6.772) 6.930 12.701 ( 0.943 -0.153 11.871) 11.909 12.940 ( -0.518 -1.055 0.859) 1.456 13.072 ( 7.564 -0.863 0.544) 7.633 13.262 ( 3.284 3.926 4.836) 7.042 13.377 ( 5.741 -1.926 -3.786) 7.142 13.409 ( 6.755 -2.073 1.989) 7.340 13.642 ( -3.522 -6.848 -4.376) 8.857 13.875 ( -4.828 -5.672 4.741) 8.829 14.115 ( -5.221 4.411 -1.863) 7.085 14.438 ( -0.426 4.520 -7.152) 8.471 14.468 ( -5.849 2.437 2.699) 6.887 14.768 ( -5.867 -5.529 -3.807) 8.915 14.828 ( -2.885 -0.024 0.396) 2.912 14.874 ( -2.156 8.572 4.100) 9.744 14.925 ( 0.765 1.586 -5.194) 5.484 15.458 ( -7.200 -0.991 1.671) 7.457 15.688 ( 4.585 0.156 -1.680) 4.886 15.834 ( 5.369 -0.921 -9.679) 11.106 15.883 ( 4.250 5.944 -5.213) 8.976 16.245 ( 1.688 -4.520 6.159) 7.824 16.342 ( -1.021 -2.764 13.630) 13.945 16.534 ( -0.964 -5.558 -1.366) 5.804 16.952 ( 4.030 11.560 -3.828) 12.827 17.315 ( 2.802 -2.949 3.191) 5.170 17.872 ( 0.723 -2.161 -1.235) 2.591 18.076 ( -1.483 -4.282 -0.638) 4.576 18.327 ( -2.662 -0.264 1.910) 3.287 18.406 ( -1.740 -0.639 1.159) 2.186 18.642 ( 0.173 2.576 -4.358) 5.065 18.715 ( -3.009 2.564 4.279) 5.826 18.930 ( -3.472 0.088 -8.416) 9.104 19.095 ( -3.856 -1.865 3.317) 5.418 22.077 ( 9.018 0.453 -0.252) 9.033 22.187 ( 8.075 -0.913 -0.779) 8.164 22.236 ( 8.165 2.313 -0.020) 8.486 22.567 ( 1.264 -4.254 3.797) 5.840 27.274 ( -1.112 1.916 0.072) 2.217 27.365 ( -1.291 0.901 -0.037) 1.575 27.424 ( -3.797 -0.490 1.456) 4.096 27.476 ( -1.830 -1.603 0.141) 2.437 36.417 ( -2.419 5.897 -3.187) 7.126 36.466 ( -3.493 8.147 2.483) 9.205 37.125 ( -10.845 -3.435 -5.772) 12.756 37.435 ( -15.448 -6.665 17.341) 24.161 38.039 ( -14.428 2.475 -19.893) 24.699 38.286 ( -18.388 -3.253 -6.390) 19.737 38.678 ( -14.765 5.238 -1.543) 15.743 39.144 ( -23.149 -4.943 7.823) 24.930 ======================= Grid point 270 (139/150) ======================= q-point: ( 0.38 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.021 ( 11.122 -5.633 -5.569) 13.655 4.502 ( 6.208 -1.866 -5.902) 8.767 4.638 ( 16.377 0.248 3.184) 16.686 5.228 ( 12.285 1.639 2.076) 12.566 5.369 ( 8.903 -4.667 -5.293) 11.361 5.585 ( -3.075 -2.088 -5.997) 7.056 5.880 ( 2.106 -0.166 9.408) 9.642 5.964 ( 14.420 0.457 3.754) 14.907 6.343 ( 2.617 -7.573 8.339) 11.564 6.575 ( 6.604 -6.419 -9.092) 12.942 6.605 ( 15.815 12.151 5.456) 20.677 6.961 ( 5.890 4.254 11.209) 13.358 7.187 ( 21.003 8.202 -11.881) 25.487 7.645 ( 11.919 7.580 -5.449) 15.139 7.790 ( 8.646 2.960 -4.612) 10.237 8.106 ( 12.513 12.129 -2.209) 17.566 8.274 ( 10.961 -10.147 3.784) 15.408 8.569 ( 7.217 4.523 -8.358) 11.933 8.649 ( 8.608 2.162 -7.439) 11.580 8.799 ( 10.382 -2.987 2.149) 11.015 8.917 ( 5.858 -1.700 1.628) 6.313 9.087 ( 8.179 -2.571 0.664) 8.599 9.196 ( 4.647 2.410 -3.585) 6.344 9.272 ( -0.894 -4.467 4.022) 6.077 9.367 ( 10.147 -6.311 0.893) 11.983 9.579 ( -1.363 -1.421 2.076) 2.861 9.725 ( 15.901 -1.380 2.558) 16.165 9.985 ( 4.594 -3.463 10.737) 12.182 10.153 ( 4.732 -2.453 3.154) 6.193 10.408 ( -0.080 -1.859 -4.162) 4.559 10.628 ( -3.109 6.724 -0.705) 7.442 10.900 ( -5.577 -1.304 -2.495) 6.247 11.864 ( 4.310 5.483 -7.525) 10.260 11.935 ( -2.017 4.088 -0.395) 4.576 12.355 ( -0.691 -3.109 -1.663) 3.593 12.605 ( -7.887 -3.102 12.051) 14.733 12.773 ( 2.503 0.229 1.386) 2.870 12.909 ( -2.921 -1.490 2.611) 4.192 13.225 ( 7.789 -0.626 -0.986) 7.876 13.334 ( 3.272 1.092 2.967) 4.550 13.498 ( 5.672 -2.557 2.257) 6.618 13.551 ( 6.788 -3.431 0.386) 7.616 13.582 ( -1.368 -2.857 -2.744) 4.190 13.840 ( -1.406 -5.349 7.303) 9.161 14.031 ( -2.771 5.412 -1.391) 6.237 14.358 ( -5.515 7.538 2.541) 9.679 14.380 ( -1.889 4.086 -10.163) 11.116 14.645 ( -5.372 -4.026 -2.891) 7.309 14.695 ( -8.754 1.813 2.165) 9.198 14.793 ( -6.287 6.071 2.309) 9.039 15.003 ( 5.657 0.769 -4.933) 7.545 15.321 ( -6.528 -2.743 0.319) 7.088 15.761 ( 5.423 -2.260 -7.659) 9.653 15.901 ( 4.603 0.342 -6.665) 8.107 15.984 ( 6.037 4.718 -1.450) 7.798 16.317 ( 2.787 -5.855 9.276) 11.318 16.365 ( -2.567 -3.668 13.395) 14.123 16.503 ( -1.024 -6.484 -2.766) 7.123 17.052 ( 6.746 9.876 -0.862) 11.991 17.366 ( 1.320 -1.903 1.687) 2.866 17.913 ( 3.335 -1.080 0.763) 3.587 18.062 ( 0.388 -3.123 -1.425) 3.455 18.274 ( -3.342 0.083 1.563) 3.691 18.352 ( -3.742 0.728 -0.280) 3.823 18.633 ( 0.201 1.131 -4.407) 4.554 18.660 ( -3.460 1.083 1.787) 4.042 18.864 ( -0.141 1.887 -8.157) 8.374 19.033 ( -4.142 -1.397 4.627) 6.366 22.229 ( 6.652 0.518 0.591) 6.698 22.317 ( 5.530 -1.171 0.457) 5.671 22.361 ( 4.687 1.917 -0.129) 5.066 22.568 ( -1.477 -2.490 0.292) 2.909 27.258 ( -0.582 1.506 0.181) 1.624 27.330 ( -2.160 0.280 -0.666) 2.277 27.386 ( -0.796 -0.057 1.925) 2.083 27.448 ( -1.149 -1.381 -0.190) 1.806 36.359 ( -2.496 5.641 2.411) 6.624 36.467 ( 2.729 3.883 -1.970) 5.139 36.883 ( -11.268 -1.938 -7.009) 13.411 37.192 ( -15.394 -5.741 13.773) 21.439 37.773 ( -7.344 2.230 -11.910) 14.169 37.962 ( -12.885 -1.707 -4.793) 13.853 38.443 ( -8.616 3.136 -2.539) 9.514 38.771 ( -18.099 -3.637 7.061) 19.765 ======================= Grid point 271 (140/150) ======================= q-point: ( 0.44 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.212 ( 9.657 -9.457 0.120) 13.517 4.509 ( -2.652 -12.122 -5.478) 13.564 4.939 ( 13.618 2.875 1.467) 13.995 5.384 ( -5.940 3.849 -5.251) 8.813 5.515 ( 11.233 -0.453 8.263) 13.952 5.562 ( 7.312 -2.336 -10.040) 12.638 5.889 ( -1.048 8.633 13.217) 15.821 6.210 ( 1.521 -5.940 -0.510) 6.153 6.375 ( 3.593 -2.071 5.394) 6.804 6.605 ( 0.336 -3.679 -8.841) 9.582 6.891 ( 11.488 7.928 2.483) 14.177 7.070 ( 0.674 7.225 12.075) 14.088 7.473 ( 11.973 7.346 -10.458) 17.512 7.661 ( -0.761 12.944 -9.595) 16.131 8.077 ( 15.317 0.678 3.233) 15.669 8.305 ( 7.263 6.766 -1.229) 10.002 8.426 ( 3.538 -5.993 7.512) 10.240 8.600 ( 0.110 2.439 -12.413) 12.651 8.759 ( 7.455 2.301 -7.999) 11.174 8.982 ( 0.768 -2.049 5.833) 6.230 9.007 ( 7.268 0.831 -2.443) 7.712 9.192 ( -4.139 0.549 7.188) 8.313 9.236 ( 6.042 -5.207 -0.073) 7.976 9.323 ( 4.077 -6.321 4.070) 8.553 9.481 ( 3.009 -5.186 -2.948) 6.682 9.539 ( -2.687 -1.824 -0.020) 3.248 10.025 ( 12.664 -4.742 -2.218) 13.704 10.097 ( 3.070 -7.182 8.766) 11.741 10.244 ( 3.951 -1.185 3.106) 5.164 10.401 ( 0.150 -3.383 -5.316) 6.303 10.584 ( -0.413 8.837 -1.425) 8.960 10.772 ( -6.809 2.587 -0.619) 7.310 11.916 ( 0.581 4.129 0.855) 4.257 11.924 ( 3.152 5.146 -7.168) 9.370 12.334 ( 0.296 -0.957 -2.948) 3.113 12.487 ( -8.495 -2.937 11.056) 14.249 12.816 ( 2.271 -2.595 -2.436) 4.223 12.868 ( -2.235 -3.312 3.900) 5.584 13.354 ( 7.101 2.072 -7.242) 10.352 13.427 ( 3.912 -3.270 7.605) 9.156 13.529 ( -2.778 1.942 4.288) 5.466 13.583 ( 0.584 -6.143 -1.632) 6.383 13.673 ( 6.081 -3.834 -1.732) 7.394 13.838 ( -2.834 -6.600 7.047) 10.062 14.018 ( 2.366 8.317 0.401) 8.656 14.245 ( -6.017 7.534 -3.607) 10.294 14.358 ( 3.109 5.714 -5.876) 8.766 14.536 ( -6.249 -0.526 1.294) 6.403 14.564 ( -3.985 0.911 2.650) 4.872 14.666 ( -6.504 5.421 -1.202) 8.552 15.080 ( 4.030 -0.844 -3.455) 5.375 15.216 ( -4.553 -2.952 0.356) 5.438 15.846 ( 5.742 -1.595 -6.552) 8.856 15.940 ( 0.938 1.383 -2.417) 2.938 16.094 ( 6.747 2.068 -5.095) 8.704 16.319 ( -7.111 -2.937 13.472) 15.514 16.409 ( 2.643 -6.904 9.228) 11.824 16.490 ( 0.807 -6.319 -5.183) 8.212 17.189 ( 6.905 6.704 1.496) 9.740 17.372 ( -1.146 -0.080 -0.404) 1.218 17.992 ( 4.001 -1.075 1.656) 4.462 18.074 ( 1.066 -1.937 -1.522) 2.684 18.217 ( -2.626 0.376 0.435) 2.688 18.270 ( -4.257 1.122 -0.388) 4.419 18.603 ( -0.834 1.474 -5.056) 5.332 18.616 ( -2.144 1.274 2.506) 3.535 18.862 ( 2.844 1.153 -7.919) 8.492 18.969 ( -4.552 -0.957 6.092) 7.665 22.340 ( 4.461 0.500 1.096) 4.621 22.404 ( 2.863 -0.206 0.509) 2.915 22.421 ( 1.966 0.335 0.480) 2.052 22.526 ( -2.381 -1.289 -1.680) 3.186 27.254 ( 0.090 1.164 0.134) 1.175 27.289 ( -1.728 0.469 -0.253) 1.809 27.391 ( 0.479 -0.325 1.255) 1.382 27.427 ( -0.916 -1.087 -0.483) 1.501 36.357 ( 1.132 3.812 4.674) 6.136 36.525 ( 2.131 0.087 -4.742) 5.200 36.678 ( -4.552 0.772 -6.190) 7.722 36.952 ( -13.618 -3.924 9.457) 17.038 37.653 ( -1.881 1.718 -5.808) 6.342 37.752 ( -7.667 -0.053 -1.752) 7.865 38.331 ( -1.590 0.901 -3.903) 4.310 38.502 ( -12.103 -2.381 6.143) 13.781 ======================= Grid point 272 (141/150) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.388 ( -6.343 -12.573 -5.430) 15.093 4.388 ( 6.343 -12.573 5.430) 15.093 5.186 ( -10.299 4.351 -5.089) 12.285 5.186 ( 10.299 4.351 5.089) 12.284 5.642 ( 4.212 -3.829 -15.312) 16.336 5.642 ( -4.212 -3.829 15.312) 16.336 6.038 ( -9.283 6.769 -14.944) 18.850 6.038 ( 9.282 6.769 14.944) 18.850 6.525 ( -5.044 -3.223 -8.928) 10.749 6.525 ( 5.043 -3.223 8.929) 10.749 7.055 ( 5.092 6.376 -4.358) 9.251 7.055 ( -5.093 6.376 4.358) 9.251 7.599 ( 2.779 9.828 -2.380) 10.487 7.599 ( -2.779 9.828 2.380) 10.487 8.313 ( -3.250 2.688 -4.385) 6.085 8.313 ( 3.250 2.688 4.385) 6.084 8.518 ( -0.208 -1.052 -17.128) 17.161 8.518 ( 0.208 -1.052 17.128) 17.161 8.897 ( 8.938 2.037 -7.167) 11.637 8.897 ( -8.939 2.037 7.167) 11.637 9.122 ( 5.052 -0.255 -5.867) 7.747 9.122 ( -5.052 -0.255 5.867) 7.747 9.349 ( -3.591 -7.816 -0.729) 8.632 9.349 ( 3.591 -7.816 0.729) 8.632 9.500 ( 0.800 -1.902 -2.491) 3.234 9.500 ( -0.800 -1.902 2.491) 3.234 10.145 ( 1.919 -7.572 -6.454) 10.133 10.145 ( -1.919 -7.572 6.454) 10.133 10.342 ( -3.734 -2.391 -5.825) 7.320 10.342 ( 3.734 -2.391 5.825) 7.320 10.640 ( -2.002 6.775 -2.150) 7.384 10.640 ( 2.002 6.775 2.150) 7.384 11.933 ( 0.510 4.665 -7.034) 8.456 11.933 ( -0.510 4.665 7.034) 8.456 12.375 ( 5.122 -1.400 -7.909) 9.526 12.375 ( -5.122 -1.400 7.909) 9.526 12.845 ( 1.824 -4.014 -4.820) 6.533 12.845 ( -1.824 -4.014 4.820) 6.533 13.450 ( 5.840 2.478 -10.836) 12.556 13.450 ( -5.840 2.478 10.836) 12.556 13.542 ( -2.767 -5.668 -3.357) 7.145 13.542 ( 2.767 -5.668 3.357) 7.145 13.774 ( 4.830 -4.165 -3.900) 7.475 13.774 ( -4.830 -4.165 3.900) 7.476 14.113 ( -4.581 7.473 -5.011) 10.097 14.113 ( 4.581 7.473 5.011) 10.097 14.432 ( 5.661 3.279 -4.717) 8.065 14.432 ( -5.661 3.279 4.717) 8.065 14.561 ( -2.489 2.943 -3.387) 5.131 14.561 ( 2.488 2.943 3.387) 5.131 15.142 ( 1.182 -1.962 -2.488) 3.381 15.142 ( -1.182 -1.962 2.488) 3.381 15.918 ( 1.642 0.331 -2.624) 3.113 15.918 ( -1.642 0.331 2.624) 3.113 16.211 ( 7.936 -0.743 -10.044) 12.823 16.211 ( -7.937 -0.743 10.044) 12.823 16.473 ( -0.618 -6.797 -7.010) 9.784 16.473 ( 0.618 -6.797 7.010) 9.784 17.311 ( -2.969 2.942 -3.762) 5.623 17.311 ( 2.969 2.942 3.762) 5.623 18.064 ( -2.124 -1.439 -1.135) 2.805 18.064 ( 2.124 -1.439 1.135) 2.805 18.204 ( 1.239 0.933 -5.959) 6.157 18.204 ( -1.239 0.933 5.959) 6.157 18.591 ( 1.355 1.798 -4.801) 5.302 18.591 ( -1.355 1.798 4.801) 5.302 18.906 ( 4.262 -0.169 -7.599) 8.715 18.906 ( -4.262 -0.169 7.599) 8.715 22.407 ( -1.793 0.556 -1.095) 2.173 22.407 ( 1.793 0.556 1.095) 2.173 22.472 ( -2.292 -0.807 -2.402) 3.416 22.472 ( 2.292 -0.807 2.402) 3.416 27.263 ( -0.450 0.820 -0.535) 1.078 27.263 ( 0.450 0.820 0.535) 1.078 27.408 ( -0.687 -0.722 -0.992) 1.406 27.408 ( 0.687 -0.722 0.992) 1.406 36.438 ( -4.793 1.409 -6.486) 8.187 36.438 ( 4.793 1.409 6.486) 8.187 36.748 ( 9.818 -1.191 -5.840) 11.486 36.748 ( -9.819 -1.191 5.840) 11.486 37.650 ( 2.844 1.041 -1.660) 3.453 37.650 ( -2.844 1.041 1.660) 3.453 38.352 ( 5.466 -0.945 -5.124) 7.551 38.352 ( -5.466 -0.945 5.124) 7.551 ======================= Grid point 281 (142/150) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 1.163 8.038 -20.644) 22.184 2.665 ( -1.163 8.038 20.644) 22.184 3.225 ( -0.641 -8.772 -13.012) 15.705 3.225 ( 0.641 -8.772 13.012) 15.705 3.820 ( 2.797 14.941 -25.535) 29.717 3.820 ( -2.797 14.941 25.535) 29.717 4.536 ( -0.128 -3.373 -6.440) 7.271 4.536 ( 0.128 -3.373 6.440) 7.271 4.772 ( -0.831 -14.355 -14.544) 20.452 4.772 ( 0.831 -14.355 14.544) 20.452 5.801 ( 0.089 -0.728 -4.666) 4.723 5.801 ( -0.089 -0.728 4.666) 4.723 6.334 ( -1.955 10.758 -29.361) 31.331 6.334 ( 1.955 10.758 29.361) 31.331 6.653 ( -5.089 -0.880 -8.856) 10.252 6.653 ( 5.089 -0.880 8.856) 10.252 6.954 ( 0.122 -0.323 -4.932) 4.944 6.954 ( -0.122 -0.323 4.932) 4.944 7.253 ( -0.540 -1.219 -5.362) 5.526 7.253 ( 0.540 -1.219 5.362) 5.526 7.843 ( -0.284 2.056 -9.458) 9.683 7.843 ( 0.284 2.056 9.458) 9.683 8.003 ( 0.383 -8.219 -18.774) 20.498 8.003 ( -0.383 -8.219 18.774) 20.498 9.556 ( 2.910 6.513 -3.528) 7.958 9.556 ( -2.910 6.513 3.528) 7.958 10.184 ( 5.287 -6.528 -6.537) 10.644 10.184 ( -5.287 -6.528 6.537) 10.644 10.904 ( -7.766 6.718 -0.245) 10.272 10.904 ( 7.766 6.718 0.245) 10.272 11.181 ( -5.693 -10.148 0.594) 11.651 11.181 ( 5.693 -10.148 -0.594) 11.651 11.379 ( 0.019 -0.581 -0.939) 1.104 11.379 ( -0.019 -0.581 0.939) 1.104 11.899 ( -2.024 -0.451 -0.240) 2.087 11.899 ( 2.024 -0.451 0.240) 2.087 12.829 ( -3.281 3.285 -2.541) 5.293 12.829 ( 3.281 3.285 2.541) 5.293 13.198 ( -2.349 2.396 -5.389) 6.348 13.198 ( 2.349 2.396 5.389) 6.348 13.514 ( 0.619 -1.166 -5.953) 6.098 13.514 ( -0.619 -1.166 5.953) 6.098 13.743 ( 1.397 -3.743 -4.011) 5.661 13.743 ( -1.397 -3.743 4.011) 5.661 14.097 ( -3.109 0.227 -0.783) 3.214 14.097 ( 3.109 0.227 0.783) 3.214 14.386 ( -0.848 -2.131 -0.601) 2.371 14.386 ( 0.848 -2.131 0.601) 2.371 14.837 ( -4.377 -0.534 -1.169) 4.561 14.837 ( 4.377 -0.534 1.169) 4.561 15.236 ( -3.956 -1.435 -0.441) 4.231 15.236 ( 3.956 -1.435 0.441) 4.231 15.409 ( -0.826 2.521 -0.492) 2.698 15.409 ( 0.826 2.521 0.492) 2.698 15.890 ( -1.113 -4.239 -6.822) 8.109 15.890 ( 1.113 -4.239 6.822) 8.109 17.038 ( -0.251 16.304 -5.963) 17.362 17.038 ( 0.251 16.304 5.963) 17.362 17.836 ( 0.628 -6.398 -8.170) 10.397 17.836 ( -0.628 -6.398 8.170) 10.397 18.135 ( -1.291 2.879 -11.145) 11.583 18.135 ( 1.291 2.879 11.145) 11.583 18.401 ( -1.409 -0.878 -2.780) 3.238 18.401 ( 1.409 -0.878 2.780) 3.238 19.117 ( -1.022 5.571 -9.151) 10.762 19.117 ( 1.022 5.571 9.151) 10.762 19.321 ( -1.079 -8.912 -9.155) 12.822 19.321 ( 1.079 -8.912 9.155) 12.822 21.121 ( -0.431 0.330 -0.628) 0.831 21.121 ( 0.431 0.330 0.628) 0.831 21.144 ( -2.751 -1.361 -0.780) 3.166 21.144 ( 2.751 -1.361 0.780) 3.166 27.611 ( -0.350 3.053 -1.078) 3.256 27.611 ( 0.350 3.053 1.078) 3.256 27.740 ( 0.906 -1.780 -1.012) 2.239 27.740 ( -0.906 -1.780 1.012) 2.239 37.139 ( -0.010 10.997 -8.503) 13.901 37.139 ( 0.010 10.997 8.503) 13.901 37.762 ( 0.086 -7.719 -12.293) 14.516 37.762 ( -0.086 -7.719 12.293) 14.516 40.357 ( 0.459 12.241 -3.898) 12.855 40.357 ( -0.459 12.241 3.898) 12.855 40.681 ( -4.632 -16.584 0.140) 17.219 40.681 ( 4.632 -16.584 -0.140) 17.219 ======================= Grid point 283 (143/150) ======================= q-point: ( 0.06 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 15.857 10.263 -20.877) 28.154 2.901 ( 19.839 1.023 -4.703) 20.415 3.316 ( 12.265 -1.260 -0.568) 12.342 3.479 ( 17.933 -10.322 13.281) 24.587 3.824 ( 6.993 15.578 -11.916) 20.823 3.925 ( 5.414 10.802 12.648) 17.492 4.587 ( 6.731 -9.659 -11.106) 16.185 4.664 ( 8.196 -8.855 7.815) 14.376 4.790 ( 9.425 0.389 -2.807) 9.841 4.950 ( 13.073 -14.602 7.009) 20.814 5.784 ( 1.691 2.679 -9.695) 10.200 5.816 ( 1.353 -0.540 1.191) 1.882 6.248 ( 3.494 13.002 -29.888) 32.780 6.511 ( 5.978 -9.086 -15.026) 18.549 6.618 ( 6.078 10.733 17.782) 21.641 6.827 ( 9.738 -6.890 2.568) 12.203 7.006 ( 3.468 1.153 12.279) 12.812 7.010 ( 3.464 2.050 9.609) 10.418 7.344 ( 11.979 1.335 -0.123) 12.053 7.414 ( 12.881 -2.374 9.075) 15.935 7.824 ( 3.399 2.141 -6.442) 7.592 7.942 ( 6.359 0.576 -5.799) 8.626 7.996 ( 4.878 -4.531 -1.134) 6.753 8.118 ( 4.686 -6.761 14.483) 16.656 9.450 ( -7.830 6.380 2.758) 10.470 9.545 ( -4.050 1.164 -0.297) 4.225 10.083 ( -6.530 1.830 3.596) 7.676 10.217 ( -0.150 -7.135 -5.195) 8.828 10.677 ( -12.271 6.999 -4.505) 14.828 10.888 ( -9.822 -10.115 -4.214) 14.716 11.067 ( -6.349 4.182 4.982) 9.089 11.219 ( -4.501 -7.526 3.175) 9.326 11.384 ( 7.176 2.973 0.921) 7.822 11.482 ( 12.081 -5.750 -1.319) 13.444 12.035 ( 11.445 1.784 1.643) 11.699 12.100 ( 13.923 -3.336 1.266) 14.373 12.681 ( -8.313 5.133 -2.431) 10.068 12.775 ( -8.101 -2.365 2.877) 8.917 13.153 ( -2.412 8.261 -0.563) 8.624 13.278 ( 1.607 1.726 6.714) 7.116 13.407 ( -7.488 0.427 2.740) 7.985 13.536 ( 3.514 -6.865 -2.238) 8.030 13.639 ( -3.541 6.251 -3.506) 7.994 13.867 ( 5.277 -12.131 -5.414) 14.294 14.148 ( 3.651 3.547 -1.187) 5.227 14.279 ( 8.605 -6.288 -2.019) 10.847 14.347 ( 0.235 0.508 1.309) 1.423 14.400 ( 7.355 -3.147 0.498) 8.016 14.809 ( 2.154 4.170 -1.637) 4.971 14.917 ( 0.889 -5.305 -2.093) 5.772 15.176 ( -1.463 5.367 -3.016) 6.328 15.298 ( 2.766 -3.484 -1.364) 4.653 15.409 ( 2.114 5.317 1.902) 6.030 15.514 ( 8.062 -3.484 2.092) 9.029 15.834 ( -1.801 0.082 -5.298) 5.597 15.926 ( -0.153 -6.878 4.936) 8.467 16.990 ( -2.411 18.238 -4.056) 18.838 17.036 ( -2.976 14.687 7.218) 16.634 17.677 ( -13.027 -0.537 -0.574) 13.051 17.767 ( -9.956 -14.225 1.391) 17.419 18.055 ( -2.560 4.063 -12.766) 13.639 18.198 ( 1.812 -0.430 5.720) 6.015 18.337 ( -4.094 1.590 -0.572) 4.429 18.412 ( -1.207 -2.157 3.364) 4.175 19.005 ( -5.447 7.689 -2.673) 9.794 19.088 ( -6.969 7.543 7.752) 12.867 19.247 ( -3.105 -9.275 -5.608) 11.275 19.346 ( -3.187 -10.791 7.630) 13.594 21.187 ( 9.299 2.208 -0.464) 9.568 21.235 ( 11.762 -0.020 -1.903) 11.915 21.270 ( 11.948 -1.226 1.421) 12.095 21.321 ( 13.785 -3.551 0.169) 14.236 27.569 ( -2.952 3.905 -1.016) 4.999 27.604 ( -1.505 1.890 -0.414) 2.451 27.700 ( -3.570 -1.052 1.695) 4.090 27.726 ( -2.079 -2.290 -0.327) 3.110 37.068 ( -3.627 12.181 -8.071) 15.056 37.136 ( -3.238 8.538 5.295) 10.555 37.691 ( -3.074 -4.421 -8.729) 10.256 37.778 ( -3.315 -9.925 13.064) 16.738 40.153 ( -17.048 8.912 -2.508) 19.400 40.282 ( -10.011 12.680 -1.414) 16.217 40.388 ( -23.021 -11.459 -4.960) 26.189 40.619 ( -11.055 -16.797 -0.169) 20.109 ======================= Grid point 284 (144/150) ======================= q-point: ( 0.12 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 24.407 10.798 -21.645) 34.363 3.338 ( 27.189 -9.818 -18.328) 34.228 3.589 ( 15.610 12.980 -2.557) 20.462 3.916 ( 17.899 -12.467 11.275) 24.555 4.054 ( 17.888 13.105 5.137) 22.762 4.159 ( 17.889 8.641 6.822) 21.005 4.722 ( 12.903 -12.062 -9.905) 20.250 4.847 ( 7.591 -17.135 13.008) 22.814 5.100 ( 19.950 12.071 -1.510) 23.366 5.321 ( 21.813 -10.005 0.635) 24.006 5.836 ( 9.053 6.692 -13.536) 17.606 5.903 ( 9.234 0.375 -4.633) 10.338 6.244 ( 5.470 4.939 -14.782) 16.517 6.468 ( 1.201 -12.398 -25.071) 27.995 6.892 ( 9.977 4.481 11.792) 16.083 6.995 ( 6.384 -3.892 3.446) 8.233 7.186 ( 11.303 4.231 19.649) 23.060 7.250 ( 18.426 -0.986 5.082) 19.139 7.672 ( 18.296 5.224 1.896) 19.122 7.781 ( 19.590 -1.010 11.253) 22.615 7.968 ( 15.051 -0.070 -4.069) 15.592 8.055 ( 9.588 -3.628 -6.113) 11.936 8.173 ( 11.166 2.481 3.543) 11.975 8.278 ( 7.437 -3.187 8.471) 11.714 9.297 ( -8.231 3.915 1.183) 9.191 9.419 ( -8.535 -4.305 3.043) 10.032 9.952 ( -8.029 8.375 -0.326) 11.606 10.122 ( -8.276 -4.353 -2.396) 9.653 10.467 ( -6.050 7.074 -6.921) 11.600 10.681 ( -7.265 -12.156 -3.706) 14.638 10.945 ( -8.698 6.194 8.175) 13.448 11.086 ( -9.462 -7.166 6.953) 13.756 11.636 ( 15.148 2.922 -0.387) 15.432 11.752 ( 14.727 -6.944 -1.937) 16.397 12.232 ( 7.206 3.537 1.202) 8.117 12.337 ( 9.188 -4.388 -1.297) 10.265 12.571 ( -2.148 2.899 0.219) 3.615 12.657 ( -1.934 -3.420 1.515) 4.211 13.054 ( -7.524 10.070 2.811) 12.880 13.224 ( -8.173 -4.318 9.803) 13.474 13.379 ( 1.724 9.503 0.617) 9.678 13.562 ( -2.863 6.719 -3.111) 7.939 13.612 ( 3.665 -7.792 -4.153) 9.560 13.891 ( -1.889 -16.918 -3.502) 17.379 14.182 ( 3.409 1.431 -1.004) 3.831 14.243 ( 0.647 -3.960 -2.784) 4.884 14.595 ( 13.729 2.119 -0.907) 13.921 14.652 ( 13.760 -2.402 0.398) 13.974 14.829 ( -3.069 2.792 -1.440) 4.392 14.884 ( 1.148 -1.392 -4.027) 4.413 15.121 ( -2.366 6.413 -6.051) 9.129 15.319 ( 1.108 -9.992 -6.200) 11.811 15.546 ( 8.638 9.426 7.961) 15.061 15.685 ( 7.349 -0.708 -0.125) 7.384 15.803 ( 1.238 -0.591 -2.085) 2.496 15.921 ( -1.932 -7.583 4.987) 9.279 16.925 ( -3.475 19.463 -2.017) 19.873 16.981 ( -5.238 15.474 6.382) 17.539 17.366 ( -17.785 -2.731 1.757) 18.080 17.486 ( -16.864 -16.540 -4.540) 24.054 17.955 ( -2.776 6.326 -10.402) 12.487 18.197 ( -2.518 -10.437 -9.544) 14.365 18.295 ( -0.889 6.745 11.136) 13.049 18.394 ( -1.964 -2.201 5.301) 6.066 18.917 ( -3.514 8.003 -0.181) 8.742 18.966 ( -7.119 7.661 6.489) 12.308 19.170 ( -2.984 -7.525 -3.990) 9.025 19.256 ( -7.366 -10.470 4.180) 13.467 21.427 ( 14.122 3.204 -2.369) 14.674 21.511 ( 15.710 -2.582 -4.171) 16.458 21.533 ( 14.753 2.993 2.749) 15.302 21.665 ( 18.987 -7.143 6.675) 21.357 27.499 ( -3.598 4.269 -1.349) 5.743 27.556 ( -2.969 0.896 -1.101) 3.291 27.623 ( -4.852 -0.628 2.312) 5.411 27.662 ( -4.264 -2.430 0.264) 4.915 36.948 ( -5.476 12.117 -7.761) 15.397 37.056 ( -6.385 5.812 3.088) 9.170 37.583 ( -5.464 -1.058 -4.835) 7.373 37.728 ( -6.892 -10.976 13.619) 18.801 39.711 ( -25.684 3.897 -7.428) 27.019 39.809 ( -31.119 -4.741 -13.739) 34.346 39.996 ( -18.567 12.415 0.439) 22.339 40.302 ( -21.136 -14.699 3.346) 25.961 ======================= Grid point 285 (145/150) ======================= q-point: ( 0.19 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( 20.858 10.744 -18.959) 30.166 3.702 ( 18.254 -5.444 -16.155) 24.977 3.979 ( 25.172 5.060 -10.779) 27.847 4.185 ( 13.327 -6.745 -9.559) 17.734 4.461 ( 16.274 16.165 22.525) 32.149 4.661 ( 26.007 2.375 9.921) 27.936 5.028 ( 19.791 -12.500 -1.511) 23.456 5.083 ( 11.904 -17.856 16.064) 26.806 5.483 ( 21.628 14.366 -7.954) 27.155 5.696 ( 16.621 -4.982 -5.697) 18.263 6.038 ( 14.370 6.814 -10.823) 19.238 6.125 ( 14.676 -0.788 -13.425) 19.906 6.404 ( 15.007 -4.042 -1.987) 15.668 6.476 ( 11.002 -10.522 -12.699) 19.825 7.045 ( 5.309 4.660 8.388) 10.967 7.175 ( 10.251 -6.374 6.018) 13.488 7.569 ( 19.321 8.620 15.275) 26.095 7.686 ( 24.812 -1.478 -4.744) 25.305 7.979 ( 14.474 7.617 -2.342) 16.522 8.151 ( 12.372 -4.657 6.116) 14.566 8.327 ( 20.889 1.174 0.646) 20.932 8.382 ( 22.905 -1.566 4.856) 23.466 8.429 ( 15.684 1.333 -1.815) 15.845 8.471 ( 10.864 -0.072 2.314) 11.108 9.159 ( -6.093 2.125 1.623) 6.654 9.273 ( -7.365 -6.083 5.337) 10.942 9.780 ( -8.716 7.499 -1.193) 11.559 9.923 ( -10.327 -3.589 -0.633) 10.951 10.369 ( -2.975 9.659 -5.378) 11.448 10.590 ( -2.159 -10.077 -3.737) 10.963 10.807 ( -8.224 5.366 10.213) 14.168 10.942 ( -7.047 -7.542 6.405) 12.148 11.875 ( 8.506 2.603 -3.780) 9.665 11.989 ( 10.344 -7.086 -4.423) 13.295 12.364 ( 6.789 2.343 5.201) 8.867 12.423 ( 0.769 0.181 -2.644) 2.759 12.582 ( 2.342 3.842 5.658) 7.229 12.718 ( 4.821 -6.679 0.658) 8.264 12.956 ( -1.517 9.596 2.216) 9.965 13.129 ( -4.049 -5.063 7.735) 10.092 13.389 ( -1.395 7.419 2.013) 7.813 13.499 ( -2.781 7.650 -1.883) 8.355 13.615 ( -1.556 -8.774 -4.326) 9.905 13.803 ( -4.952 -14.614 0.068) 15.430 14.291 ( 7.054 0.446 -0.662) 7.099 14.322 ( 7.499 -1.861 -4.394) 8.889 14.659 ( -7.288 5.904 -4.334) 10.332 14.774 ( 1.517 -1.682 -0.157) 2.270 14.894 ( 5.190 -0.256 0.135) 5.198 14.911 ( 4.783 -3.891 -5.620) 8.343 15.079 ( 0.962 10.723 -4.262) 11.579 15.325 ( 2.308 -11.520 -5.731) 13.072 15.702 ( 1.082 11.694 11.078) 16.145 15.778 ( 6.420 4.301 -3.371) 8.431 15.865 ( 3.748 -4.282 -10.204) 11.684 15.946 ( 3.242 -8.971 13.990) 16.932 16.768 ( -14.146 15.630 -0.355) 21.084 16.836 ( -13.358 12.256 1.936) 18.232 17.125 ( -4.499 -4.599 2.516) 6.908 17.194 ( -7.992 -10.844 -6.226) 14.840 17.882 ( -1.426 4.997 -7.018) 8.732 18.091 ( -4.013 -9.278 -8.499) 13.207 18.331 ( 0.120 2.232 8.365) 8.658 18.383 ( -1.399 -1.457 6.467) 6.775 18.840 ( -4.402 6.308 0.364) 7.701 18.886 ( -4.025 4.765 5.854) 8.554 19.094 ( -3.527 -4.770 -4.995) 7.755 19.140 ( -4.634 -6.638 1.432) 8.221 21.682 ( 13.159 2.653 -3.263) 13.815 21.759 ( 12.554 -4.050 -4.563) 13.958 21.862 ( 15.715 6.897 4.459) 17.732 22.038 ( 15.614 -8.947 8.224) 19.786 27.428 ( -3.096 4.139 -1.294) 5.328 27.490 ( -3.145 0.555 -1.445) 3.506 27.538 ( -4.615 -1.055 2.569) 5.386 27.572 ( -4.999 -2.132 0.822) 5.497 36.809 ( -5.933 11.109 -6.738) 14.283 36.922 ( -8.034 4.190 1.706) 9.220 37.445 ( -7.656 1.015 -1.202) 7.816 37.615 ( -10.017 -11.169 13.724) 20.333 39.133 ( -28.919 1.695 -17.944) 34.076 39.169 ( -27.725 -1.700 -12.199) 30.338 39.603 ( -21.815 11.082 2.330) 24.579 39.867 ( -24.737 -12.291 5.786) 28.222 ======================= Grid point 286 (146/150) ======================= q-point: ( 0.25 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.720 ( 14.284 10.681 -15.830) 23.847 3.991 ( 15.364 -7.431 -6.849) 18.390 4.283 ( 13.995 5.009 -22.167) 26.690 4.506 ( 22.186 -7.799 -12.184) 26.486 4.823 ( 13.402 13.782 19.679) 27.510 5.102 ( 14.051 -4.560 12.652) 19.450 5.404 ( 17.413 -7.719 4.017) 19.466 5.458 ( 19.286 -8.847 20.339) 29.392 5.878 ( 21.741 7.187 -13.566) 26.615 5.961 ( 14.556 -1.554 -10.552) 18.045 6.227 ( 10.390 5.432 -5.190) 12.821 6.350 ( 14.348 -5.104 -7.970) 17.189 6.751 ( 20.788 -1.008 -2.492) 20.961 6.818 ( 20.608 -3.455 0.375) 20.899 7.270 ( 16.629 4.638 7.152) 18.687 7.441 ( 14.796 -9.052 8.406) 19.275 7.977 ( 16.775 12.667 8.841) 22.804 8.127 ( 23.369 0.516 -12.648) 26.577 8.240 ( 14.876 5.218 -9.636) 18.476 8.361 ( 8.687 -4.516 -0.397) 9.798 8.630 ( 12.701 0.649 1.411) 12.796 8.694 ( 12.211 -1.098 -2.014) 12.424 8.814 ( 19.871 -0.886 -0.976) 19.914 8.828 ( 16.755 -0.824 0.165) 16.776 9.109 ( 1.678 2.898 8.558) 9.190 9.213 ( -0.215 -4.928 9.466) 10.674 9.628 ( -6.497 4.210 0.230) 7.745 9.755 ( -6.700 -5.320 2.533) 8.922 10.288 ( -3.815 11.167 -2.202) 12.004 10.507 ( -5.714 -7.483 -0.962) 9.465 10.749 ( -0.986 4.168 6.133) 7.480 10.877 ( -1.773 -7.343 3.018) 8.134 11.944 ( 2.150 4.580 -7.052) 8.679 12.096 ( 3.194 -9.214 -10.152) 14.077 12.357 ( -4.812 10.471 5.936) 12.963 12.535 ( 4.410 -4.185 9.492) 11.272 12.684 ( 4.188 3.396 7.017) 8.849 12.808 ( 4.861 -6.470 2.785) 8.559 13.013 ( 5.627 6.396 -0.434) 8.530 13.147 ( 3.185 -4.587 4.989) 7.488 13.354 ( -1.731 4.330 0.408) 4.681 13.436 ( -3.553 2.623 -0.342) 4.430 13.562 ( -1.101 -2.995 -3.885) 5.028 13.724 ( -3.501 -11.670 1.999) 12.346 14.414 ( 3.765 2.107 -3.282) 5.421 14.432 ( 3.819 4.589 -1.734) 6.217 14.505 ( -3.996 2.190 -4.712) 6.555 14.705 ( -5.297 -9.571 -3.313) 11.430 14.908 ( -1.231 3.070 -1.974) 3.851 14.962 ( -0.644 -1.728 -2.223) 2.888 15.118 ( 2.805 12.564 -0.281) 12.876 15.371 ( 3.155 -10.342 -1.887) 10.976 15.724 ( -0.366 6.115 1.379) 6.279 15.813 ( -0.542 -1.354 -5.105) 5.309 15.953 ( 5.977 4.870 -1.016) 7.777 16.075 ( 4.929 -5.431 7.620) 10.576 16.463 ( -14.577 6.540 4.276) 16.540 16.558 ( -12.411 -1.160 -1.241) 12.527 17.112 ( 1.110 3.297 -3.133) 4.682 17.162 ( 3.351 -3.743 1.515) 5.247 17.849 ( 0.325 3.128 -4.671) 5.631 17.999 ( -2.415 -7.799 -5.726) 9.972 18.350 ( -0.895 1.110 5.552) 5.733 18.385 ( -0.950 -1.335 6.197) 6.410 18.763 ( -3.440 4.510 -0.730) 5.719 18.825 ( -4.379 0.911 3.684) 5.794 19.012 ( -2.498 0.121 -5.271) 5.835 19.080 ( -2.534 -4.464 0.524) 5.159 21.909 ( 11.262 2.068 -2.210) 11.661 21.968 ( 10.572 -3.110 -2.991) 11.419 22.141 ( 11.417 6.684 3.345) 13.646 22.307 ( 9.373 -8.119 5.955) 13.756 27.371 ( -2.334 3.647 -0.986) 4.441 27.429 ( -2.591 0.360 -1.485) 3.008 27.468 ( -3.734 -1.638 2.363) 4.713 27.486 ( -4.028 -1.492 1.307) 4.490 36.677 ( -5.193 9.302 -5.655) 12.061 36.770 ( -8.035 3.822 1.335) 8.997 37.277 ( -9.671 1.681 1.028) 9.870 37.447 ( -12.387 -10.834 13.419) 21.234 38.549 ( -23.132 3.524 -19.550) 30.491 38.631 ( -23.077 -3.832 -12.274) 26.417 39.193 ( -21.160 9.589 3.255) 23.458 39.413 ( -24.073 -9.974 6.548) 26.868 ======================= Grid point 287 (147/150) ======================= q-point: ( 0.31 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.898 ( 9.774 9.350 -12.689) 18.546 4.191 ( 7.375 -15.348 -7.194) 18.485 4.505 ( 17.377 14.096 -15.937) 27.471 4.843 ( 17.744 -14.976 -14.349) 27.296 5.128 ( 11.024 9.516 16.168) 21.760 5.343 ( 6.680 -8.893 14.369) 18.170 5.714 ( 14.698 8.814 -2.018) 17.256 5.899 ( 15.714 -3.356 23.223) 28.240 6.108 ( 5.959 -0.112 -7.107) 9.275 6.185 ( 13.597 -8.827 -13.334) 20.990 6.492 ( 16.421 8.149 3.430) 18.650 6.647 ( 16.631 -6.015 1.038) 17.716 7.104 ( 17.537 10.652 0.062) 20.519 7.248 ( 22.997 -2.774 -0.579) 23.171 7.681 ( 20.534 1.147 2.340) 20.699 7.786 ( 16.249 -7.124 7.510) 19.266 8.251 ( 10.301 14.702 -0.008) 17.951 8.459 ( 11.717 3.251 -11.535) 16.761 8.488 ( 15.654 -1.204 -8.270) 17.745 8.509 ( 12.670 -0.581 -14.896) 19.564 8.848 ( 5.278 -1.113 -4.762) 7.196 8.903 ( 10.906 -6.400 7.516) 14.710 8.969 ( 6.277 0.713 -0.632) 6.349 9.047 ( 4.664 -5.520 -5.089) 8.839 9.286 ( 7.464 6.332 6.812) 11.925 9.411 ( 13.084 -2.102 10.635) 16.992 9.546 ( -1.530 2.798 3.549) 4.771 9.714 ( 1.254 -9.278 8.457) 12.617 10.224 ( -2.023 9.556 0.326) 9.773 10.399 ( -4.624 -5.394 0.337) 7.113 10.767 ( 0.523 4.164 0.878) 4.288 10.871 ( 0.044 -5.437 -0.814) 5.498 11.947 ( 1.684 5.063 -7.347) 9.080 12.062 ( -1.371 -3.758 -8.998) 9.848 12.330 ( -1.242 7.760 8.075) 11.268 12.555 ( -4.424 -9.945 9.977) 14.765 12.782 ( 2.196 5.242 5.994) 8.260 12.889 ( 0.525 -3.852 4.022) 5.594 13.134 ( 6.578 5.564 -0.227) 8.618 13.259 ( 5.791 -4.539 4.396) 8.571 13.363 ( 2.697 0.065 -2.590) 3.740 13.378 ( -0.150 -0.573 -1.350) 1.474 13.558 ( 1.115 1.390 -0.419) 1.831 13.686 ( -1.525 -8.658 4.180) 9.735 14.321 ( -5.232 10.955 -5.272) 13.235 14.471 ( -1.220 -0.836 -4.582) 4.814 14.509 ( 1.641 1.054 -2.646) 3.287 14.605 ( -3.138 -8.530 -3.003) 9.572 14.853 ( -4.022 2.639 0.792) 4.875 14.910 ( -3.381 -1.646 1.659) 4.110 15.142 ( -0.810 12.423 -0.841) 12.478 15.369 ( -4.283 -7.480 -0.650) 8.644 15.713 ( 1.364 2.008 -6.868) 7.284 15.779 ( 1.560 -3.598 -9.169) 9.972 16.048 ( 3.477 8.250 4.125) 9.858 16.186 ( 4.521 -2.828 2.101) 5.731 16.294 ( -6.524 0.683 12.194) 13.847 16.402 ( -4.036 -6.710 0.718) 7.863 17.152 ( 3.691 6.204 -2.080) 7.513 17.244 ( 3.940 -3.264 1.486) 5.328 17.860 ( 2.306 2.189 -2.976) 4.355 17.962 ( 0.310 -5.877 -3.441) 6.817 18.337 ( -2.198 1.578 3.905) 4.751 18.381 ( -1.890 -1.820 4.706) 5.388 18.703 ( -2.069 2.877 -2.756) 4.489 18.748 ( -3.901 -0.503 -0.346) 3.948 18.958 ( -1.583 2.845 -3.567) 4.829 19.035 ( -2.592 -3.515 1.099) 4.503 22.100 ( 8.954 1.611 -0.721) 9.126 22.144 ( 8.376 -2.329 -1.043) 8.756 22.325 ( 6.741 5.222 1.498) 8.658 22.450 ( 4.075 -5.944 2.714) 7.701 27.329 ( -1.762 2.866 -0.556) 3.410 27.377 ( -2.305 -0.650 -1.577) 2.867 27.412 ( -2.610 -0.004 2.551) 3.649 27.435 ( -1.881 -1.781 0.966) 2.765 36.570 ( -3.876 6.976 -4.748) 9.286 36.633 ( -6.244 3.589 1.187) 7.299 37.080 ( -10.979 2.014 1.268) 11.234 37.242 ( -13.556 -10.127 12.302) 20.920 38.111 ( -15.320 3.902 -15.861) 22.394 38.201 ( -16.559 -4.211 -11.305) 20.487 38.825 ( -17.793 7.778 2.991) 19.648 39.000 ( -20.788 -7.815 6.172) 23.050 ======================= Grid point 288 (148/150) ======================= q-point: ( 0.38 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.014 ( 6.592 5.564 -8.780) 12.309 4.246 ( 2.236 -14.419 -9.640) 17.489 4.808 ( 17.164 12.334 -6.931) 22.243 5.108 ( 15.017 -13.438 -11.975) 23.441 5.360 ( 7.077 3.202 12.506) 14.722 5.467 ( 2.015 -6.949 7.347) 10.311 5.952 ( 9.099 12.497 1.476) 15.529 6.139 ( 2.456 4.863 -2.878) 6.162 6.208 ( 7.253 -3.129 18.870) 20.457 6.390 ( 10.815 -10.860 -7.238) 16.950 6.813 ( 14.122 7.432 5.074) 16.746 6.945 ( 11.666 -4.353 7.485) 14.528 7.444 ( 16.957 13.166 -2.670) 21.634 7.667 ( 19.851 -5.536 0.556) 20.616 7.960 ( 8.562 8.466 -7.350) 14.107 8.090 ( 13.007 -5.550 1.853) 14.262 8.400 ( 6.213 12.461 -5.022) 14.802 8.621 ( 7.274 -8.320 -2.826) 11.407 8.696 ( 11.142 4.871 -9.920) 15.693 8.722 ( 11.018 2.742 -8.640) 14.268 8.902 ( 4.592 1.228 1.622) 5.023 9.059 ( 1.826 -7.832 -2.518) 8.427 9.092 ( 5.861 -2.072 -3.301) 7.038 9.143 ( 8.544 -7.948 3.178) 12.094 9.353 ( -0.691 6.519 3.291) 7.335 9.499 ( -1.748 -5.913 3.036) 6.873 9.736 ( 12.345 2.720 5.881) 13.942 9.845 ( 6.401 -6.853 9.496) 13.346 10.219 ( 1.053 5.926 1.367) 6.172 10.340 ( -1.523 -4.444 -0.718) 4.753 10.762 ( -0.687 5.190 -1.916) 5.575 10.852 ( -1.430 -3.115 -2.789) 4.419 11.971 ( 3.280 4.174 -5.517) 7.657 12.022 ( 0.034 1.105 -3.934) 4.086 12.335 ( -1.240 3.522 5.289) 6.474 12.484 ( -6.173 -7.660 8.992) 13.328 12.798 ( -1.589 2.199 2.874) 3.952 12.858 ( -4.109 -2.929 3.313) 6.036 13.257 ( 5.786 4.000 1.305) 7.154 13.367 ( 4.444 -1.637 -1.901) 5.103 13.402 ( 3.777 -2.043 0.364) 4.309 13.462 ( 6.263 -3.980 -2.516) 7.836 13.586 ( 0.754 3.029 3.643) 4.798 13.692 ( -0.260 -6.376 6.236) 8.922 14.230 ( -2.221 10.124 -3.712) 11.010 14.406 ( -2.366 -3.797 -4.702) 6.490 14.491 ( -1.608 3.945 -6.107) 7.446 14.547 ( -2.547 -3.016 -1.707) 4.301 14.757 ( -6.341 4.198 2.806) 8.106 14.852 ( -4.627 -2.605 4.475) 6.944 15.093 ( -2.096 7.584 -3.193) 8.492 15.238 ( -6.402 -4.945 -3.032) 8.639 15.751 ( 5.518 1.681 -7.812) 9.711 15.838 ( 6.704 -5.304 -7.489) 11.365 16.116 ( 1.249 6.778 6.356) 9.375 16.255 ( -3.844 -2.004 14.647) 15.276 16.263 ( 2.983 -1.898 0.720) 3.608 16.365 ( -0.601 -6.332 -0.254) 6.366 17.229 ( 4.478 5.874 -0.427) 7.399 17.316 ( 2.938 -2.703 1.186) 4.165 17.913 ( 3.819 1.530 -1.549) 4.396 17.979 ( 2.342 -4.000 -2.385) 5.213 18.296 ( -3.247 1.897 2.585) 4.563 18.341 ( -3.641 -1.705 3.085) 5.067 18.664 ( -0.754 1.413 -3.845) 4.165 18.680 ( -2.347 0.204 -2.896) 3.734 18.919 ( -1.310 3.038 -2.331) 4.047 18.987 ( -3.018 -2.821 2.110) 4.638 22.249 ( 6.528 1.291 0.558) 6.677 22.283 ( 6.052 -1.733 0.579) 6.321 22.420 ( 3.007 3.338 -0.107) 4.494 22.498 ( 0.692 -3.641 0.109) 3.708 27.299 ( -1.157 2.000 -0.220) 2.321 27.330 ( -2.002 -0.584 -0.693) 2.197 27.388 ( -0.818 0.455 1.587) 1.842 27.412 ( -0.915 -1.659 0.459) 1.949 36.490 ( -2.910 5.403 -2.291) 6.550 36.548 ( -2.518 1.316 -1.119) 3.053 36.875 ( -10.031 3.164 0.517) 10.531 37.026 ( -12.648 -8.719 9.969) 18.313 37.836 ( -8.337 3.334 -10.458) 13.784 37.908 ( -10.180 -3.075 -8.131) 13.387 38.539 ( -12.382 5.439 1.787) 13.642 38.665 ( -15.779 -5.717 5.168) 17.560 ======================= Grid point 289 (149/150) ======================= q-point: ( 0.44 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.098 ( 4.624 0.132 -3.318) 5.692 4.225 ( -0.738 -10.890 -7.549) 13.271 5.090 ( 13.245 9.900 -1.278) 16.586 5.331 ( 11.397 -10.649 -7.559) 17.333 5.430 ( -2.684 1.820 -0.543) 3.288 5.521 ( 0.873 -5.288 6.633) 8.528 6.072 ( 2.928 8.057 8.449) 12.036 6.180 ( 1.469 -1.169 2.013) 2.753 6.386 ( 6.001 3.940 6.376) 9.601 6.509 ( 3.377 -5.480 -4.745) 7.997 7.050 ( 8.410 5.977 3.546) 10.910 7.133 ( 4.363 -1.190 7.890) 9.094 7.708 ( 11.816 13.851 -3.379) 18.517 8.007 ( 14.211 -10.366 1.095) 17.624 8.012 ( 0.929 16.534 -9.504) 19.094 8.284 ( 6.993 -7.388 -4.005) 10.933 8.461 ( 1.279 8.770 3.721) 9.612 8.638 ( -1.771 -2.586 -4.417) 5.416 8.824 ( 5.957 3.037 -10.574) 12.511 8.893 ( 5.098 -2.827 1.861) 6.120 9.046 ( 6.818 -0.641 2.718) 7.368 9.111 ( 5.583 -1.840 0.627) 5.911 9.159 ( 2.304 -2.695 -3.746) 5.158 9.273 ( 2.610 -2.738 3.076) 4.875 9.345 ( 0.446 -0.455 0.328) 0.716 9.459 ( -3.214 -5.656 2.649) 7.024 9.943 ( 7.235 -1.390 1.016) 7.438 9.973 ( 4.000 -3.757 4.294) 6.968 10.255 ( 1.553 1.868 1.680) 2.954 10.318 ( -0.779 -3.692 -1.751) 4.160 10.743 ( -0.044 5.283 -1.695) 5.548 10.804 ( -2.360 -0.315 -1.752) 2.956 12.017 ( 1.884 4.010 0.429) 4.451 12.033 ( 2.305 3.179 -4.623) 6.066 12.324 ( -0.784 0.912 1.333) 1.795 12.396 ( -5.622 -4.851 7.212) 10.352 12.769 ( -1.532 -0.967 0.302) 1.837 12.791 ( -3.304 -2.890 2.299) 4.955 13.358 ( 3.850 0.785 1.616) 4.248 13.423 ( 1.705 -3.641 -2.838) 4.922 13.482 ( 4.885 2.474 -1.852) 5.781 13.576 ( 6.038 -4.417 -3.122) 8.107 13.599 ( -1.226 3.791 5.400) 6.711 13.704 ( -1.436 -5.549 6.379) 8.576 14.213 ( 1.431 8.732 -0.890) 8.893 14.359 ( -1.986 -1.779 -1.567) 3.092 14.417 ( -2.623 2.520 -6.391) 7.354 14.485 ( -3.526 -2.302 -1.321) 4.414 14.666 ( -2.472 6.875 1.731) 7.508 14.762 ( -5.159 0.485 1.723) 5.460 15.068 ( 0.276 1.001 -1.342) 1.697 15.136 ( -3.293 -4.008 -2.040) 5.573 15.853 ( 7.012 2.651 -6.055) 9.636 15.937 ( 4.884 -3.004 -5.531) 7.967 16.142 ( -0.455 2.776 5.677) 6.335 16.222 ( -4.806 -4.188 12.041) 13.624 16.313 ( 1.709 -1.073 2.363) 3.107 16.361 ( 0.513 -4.911 -3.640) 6.134 17.311 ( 3.656 3.924 0.585) 5.395 17.362 ( 1.257 -1.083 0.711) 1.805 17.987 ( 3.932 0.768 -0.679) 4.063 18.023 ( 2.619 -2.321 -1.705) 3.893 18.239 ( -2.956 1.542 1.127) 3.519 18.271 ( -4.177 -1.017 1.938) 4.716 18.638 ( -0.218 1.255 -4.867) 5.031 18.643 ( -0.876 0.808 -0.524) 1.302 18.894 ( -0.134 1.781 -2.456) 3.036 18.937 ( -2.977 -1.881 3.008) 4.631 22.357 ( 4.277 1.037 1.332) 4.598 22.383 ( 3.877 -1.265 1.554) 4.364 22.448 ( 0.263 1.740 -1.071) 2.060 22.489 ( -1.161 -1.917 -1.413) 2.649 27.283 ( -0.440 1.277 -0.057) 1.351 27.297 ( -1.178 0.046 -0.252) 1.205 27.386 ( -0.013 0.024 0.886) 0.887 27.400 ( -0.499 -1.211 0.037) 1.310 36.450 ( -0.636 4.005 0.462) 4.082 36.512 ( -0.956 -1.590 -3.859) 4.282 36.726 ( -4.565 3.913 0.171) 6.015 36.840 ( -9.489 -5.859 6.627) 12.972 37.699 ( -3.020 2.224 -5.330) 6.517 37.739 ( -5.234 -1.226 -3.812) 6.590 38.368 ( -5.439 2.513 -0.039) 5.992 38.436 ( -9.476 -3.407 3.784) 10.757 ======================= Grid point 290 (150/150) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.170 ( -2.599 -5.727 -2.979) 6.959 4.170 ( 2.599 -5.727 2.979) 6.959 5.304 ( -2.713 6.988 -8.122) 11.053 5.304 ( 2.713 6.988 8.122) 11.053 5.489 ( 4.578 -8.946 -10.851) 14.789 5.489 ( -4.578 -8.945 10.851) 14.789 6.161 ( -3.057 3.044 -3.903) 5.818 6.161 ( 3.057 3.044 3.903) 5.818 6.492 ( -2.803 -0.154 -4.317) 5.149 6.492 ( 2.803 -0.154 4.317) 5.149 7.163 ( 2.466 2.612 -1.636) 3.947 7.163 ( -2.466 2.612 1.636) 3.947 7.902 ( -7.970 16.635 -2.815) 18.659 7.902 ( 7.970 16.635 2.815) 18.659 8.247 ( -7.713 -10.817 -5.227) 14.277 8.247 ( 7.713 -10.817 5.227) 14.277 8.553 ( -2.447 4.264 -10.311) 11.423 8.553 ( 2.447 4.264 10.311) 11.423 8.893 ( 2.527 -2.867 -6.830) 7.826 8.893 ( -2.527 -2.867 6.830) 7.826 9.144 ( -0.836 0.250 -6.096) 6.159 9.144 ( 0.836 0.250 6.097) 6.159 9.243 ( -3.149 2.611 -0.994) 4.210 9.243 ( 3.149 2.611 0.994) 4.210 9.397 ( 3.570 -7.216 -2.532) 8.439 9.397 ( -3.570 -7.216 2.532) 8.439 10.020 ( 0.461 -3.183 -3.065) 4.443 10.020 ( -0.461 -3.183 3.065) 4.443 10.288 ( -1.279 -1.646 -2.283) 3.092 10.288 ( 1.279 -1.646 2.283) 3.091 10.758 ( -0.766 3.167 -0.952) 3.394 10.758 ( 0.766 3.167 0.952) 3.394 12.044 ( 0.358 4.072 -5.044) 6.492 12.044 ( -0.358 4.072 5.044) 6.492 12.334 ( 2.183 -1.861 -5.389) 6.105 12.334 ( -2.183 -1.861 5.389) 6.105 12.757 ( 0.556 -2.836 -2.207) 3.637 12.757 ( -0.556 -2.836 2.207) 3.637 13.415 ( -0.288 -2.491 -3.889) 4.627 13.415 ( 0.288 -2.491 3.889) 4.627 13.561 ( 3.856 4.533 -4.801) 7.647 13.561 ( -3.856 4.533 4.801) 7.647 13.670 ( 3.981 -4.953 -5.196) 8.208 13.670 ( -3.981 -4.953 5.196) 8.208 14.275 ( -2.480 6.531 -3.881) 7.992 14.275 ( 2.480 6.531 3.881) 7.992 14.413 ( 0.471 -3.553 -3.008) 4.679 14.413 ( -0.472 -3.553 3.008) 4.679 14.683 ( -2.108 5.072 -0.486) 5.514 14.683 ( 2.108 5.072 0.486) 5.514 15.086 ( -1.153 -2.461 -0.797) 2.832 15.086 ( 1.153 -2.461 0.797) 2.832 15.947 ( 3.210 1.981 -1.360) 4.010 15.947 ( -3.210 1.981 1.360) 4.010 16.169 ( 2.902 -2.840 -3.142) 5.135 16.169 ( -2.902 -2.840 3.142) 5.135 16.347 ( 0.076 -3.091 -5.730) 6.511 16.347 ( -0.076 -3.091 5.730) 6.511 17.363 ( -0.195 1.325 -1.718) 2.178 17.363 ( 0.195 1.325 1.718) 2.178 18.041 ( -0.830 -0.495 -0.368) 1.034 18.041 ( 0.830 -0.495 0.368) 1.034 18.216 ( 0.722 0.210 -2.265) 2.387 18.216 ( -0.722 0.210 2.265) 2.387 18.630 ( 0.737 1.291 -2.615) 3.009 18.630 ( -0.737 1.291 2.615) 3.009 18.900 ( 1.718 -0.257 -3.467) 3.878 18.900 ( -1.718 -0.257 3.467) 3.878 22.424 ( -1.949 0.977 -1.491) 2.641 22.424 ( 1.948 0.977 1.491) 2.640 22.449 ( -2.116 -1.131 -1.978) 3.110 22.449 ( 2.116 -1.131 1.978) 3.110 27.282 ( -0.036 0.660 -0.474) 0.813 27.282 ( 0.036 0.660 0.474) 0.813 27.391 ( -0.164 -0.599 -0.607) 0.868 27.391 ( 0.164 -0.599 0.607) 0.868 36.469 ( -1.564 1.053 -3.017) 3.558 36.469 ( 1.564 1.053 3.017) 3.558 36.721 ( 3.962 -0.918 -2.760) 4.915 36.721 ( -3.962 -0.918 2.760) 4.915 37.672 ( 1.180 0.681 -0.716) 1.539 37.672 ( -1.180 0.681 0.716) 1.539 38.333 ( 2.192 -0.623 -2.038) 3.058 38.333 ( -2.192 -0.623 2.038) 3.058 =================== 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 3/40320 10.0 5637.037 1534.892 1810.956 0.000 -442.110 0.000 3/40320 20.0 1111.681 838.340 1141.515 0.000 -47.566 0.000 3/40320 30.0 440.200 425.523 520.051 0.000 -26.084 0.000 3/40320 40.0 242.350 232.768 280.802 0.000 -12.117 0.000 3/40320 50.0 154.125 139.071 169.328 0.000 -5.805 0.000 3/40320 60.0 106.420 90.357 111.245 0.000 -3.067 0.000 3/40320 70.0 77.774 62.846 78.161 0.000 -1.790 0.000 3/40320 80.0 59.349 46.118 57.870 0.000 -1.139 0.000 3/40320 90.0 46.885 35.315 44.662 0.000 -0.777 0.000 3/40320 100.0 38.111 27.992 35.645 0.000 -0.561 0.000 3/40320 110.0 31.726 22.827 29.242 0.000 -0.424 0.000 3/40320 120.0 26.948 19.061 24.545 0.000 -0.333 0.000 3/40320 130.0 23.284 16.236 21.002 0.000 -0.270 0.000 3/40320 140.0 20.415 14.065 18.265 0.000 -0.225 0.000 3/40320 150.0 18.125 12.361 16.106 0.000 -0.192 0.000 3/40320 160.0 16.267 10.998 14.372 0.000 -0.167 0.000 3/40320 170.0 14.737 9.889 12.956 0.000 -0.147 0.000 3/40320 180.0 13.460 8.974 11.783 0.000 -0.132 0.000 3/40320 190.0 12.382 8.209 10.799 0.000 -0.120 0.000 3/40320 200.0 11.462 7.562 9.964 0.000 -0.109 0.000 3/40320 210.0 10.669 7.008 9.248 0.000 -0.101 0.000 3/40320 220.0 9.980 6.530 8.628 0.000 -0.094 0.000 3/40320 230.0 9.376 6.113 8.087 0.000 -0.088 0.000 3/40320 240.0 8.843 5.748 7.612 0.000 -0.083 0.000 3/40320 250.0 8.370 5.424 7.190 0.000 -0.078 0.000 3/40320 260.0 7.947 5.136 6.814 0.000 -0.074 0.000 3/40320 270.0 7.567 4.879 6.477 0.000 -0.071 0.000 3/40320 280.0 7.224 4.647 6.174 0.000 -0.068 0.000 3/40320 290.0 6.913 4.437 5.898 0.000 -0.065 0.000 3/40320 300.0 6.629 4.246 5.648 0.000 -0.062 0.000 3/40320 310.0 6.370 4.072 5.419 0.000 -0.060 0.000 3/40320 320.0 6.132 3.912 5.209 0.000 -0.058 0.000 3/40320 330.0 5.913 3.766 5.016 0.000 -0.056 0.000 3/40320 340.0 5.710 3.630 4.838 0.000 -0.054 0.000 3/40320 350.0 5.523 3.505 4.673 0.000 -0.052 0.000 3/40320 360.0 5.349 3.388 4.519 0.000 -0.050 0.000 3/40320 370.0 5.186 3.280 4.376 0.000 -0.049 0.000 3/40320 380.0 5.035 3.179 4.243 0.000 -0.047 0.000 3/40320 390.0 4.893 3.084 4.118 0.000 -0.046 0.000 3/40320 400.0 4.760 2.995 4.000 0.000 -0.045 0.000 3/40320 410.0 4.634 2.912 3.890 0.000 -0.044 0.000 3/40320 420.0 4.517 2.833 3.786 0.000 -0.042 0.000 3/40320 430.0 4.405 2.759 3.688 0.000 -0.041 0.000 3/40320 440.0 4.300 2.689 3.596 0.000 -0.040 0.000 3/40320 450.0 4.201 2.623 3.508 0.000 -0.039 0.000 3/40320 460.0 4.106 2.560 3.425 0.000 -0.038 0.000 3/40320 470.0 4.017 2.500 3.346 0.000 -0.038 0.000 3/40320 480.0 3.932 2.443 3.271 0.000 -0.037 0.000 3/40320 490.0 3.851 2.389 3.199 0.000 -0.036 0.000 3/40320 500.0 3.773 2.338 3.131 0.000 -0.035 0.000 3/40320 510.0 3.699 2.289 3.066 0.000 -0.034 0.000 3/40320 520.0 3.629 2.242 3.004 0.000 -0.034 0.000 3/40320 530.0 3.561 2.197 2.944 0.000 -0.033 0.000 3/40320 540.0 3.496 2.154 2.887 0.000 -0.032 0.000 3/40320 550.0 3.434 2.112 2.832 0.000 -0.032 0.000 3/40320 560.0 3.374 2.073 2.780 0.000 -0.031 0.000 3/40320 570.0 3.317 2.035 2.729 0.000 -0.031 0.000 3/40320 580.0 3.262 1.998 2.681 0.000 -0.030 0.000 3/40320 590.0 3.209 1.963 2.634 0.000 -0.029 0.000 3/40320 600.0 3.158 1.929 2.589 0.000 -0.029 0.000 3/40320 610.0 3.108 1.896 2.546 0.000 -0.028 0.000 3/40320 620.0 3.061 1.865 2.504 0.000 -0.028 0.000 3/40320 630.0 3.015 1.834 2.464 0.000 -0.027 0.000 3/40320 640.0 2.971 1.805 2.425 0.000 -0.027 0.000 3/40320 650.0 2.928 1.777 2.388 0.000 -0.026 0.000 3/40320 660.0 2.886 1.749 2.351 0.000 -0.026 0.000 3/40320 670.0 2.846 1.723 2.316 0.000 -0.026 0.000 3/40320 680.0 2.807 1.697 2.282 0.000 -0.025 0.000 3/40320 690.0 2.769 1.672 2.249 0.000 -0.025 0.000 3/40320 700.0 2.732 1.648 2.217 0.000 -0.024 0.000 3/40320 710.0 2.697 1.624 2.186 0.000 -0.024 0.000 3/40320 720.0 2.662 1.602 2.156 0.000 -0.024 0.000 3/40320 730.0 2.629 1.580 2.126 0.000 -0.023 0.000 3/40320 740.0 2.596 1.558 2.098 0.000 -0.023 0.000 3/40320 750.0 2.564 1.537 2.070 0.000 -0.023 0.000 3/40320 760.0 2.533 1.517 2.043 0.000 -0.022 0.000 3/40320 770.0 2.503 1.498 2.017 0.000 -0.022 0.000 3/40320 780.0 2.474 1.478 1.992 0.000 -0.022 0.000 3/40320 790.0 2.445 1.460 1.967 0.000 -0.021 0.000 3/40320 800.0 2.417 1.442 1.943 0.000 -0.021 0.000 3/40320 810.0 2.390 1.424 1.920 0.000 -0.021 0.000 3/40320 820.0 2.364 1.407 1.897 0.000 -0.021 0.000 3/40320 830.0 2.338 1.390 1.874 0.000 -0.020 0.000 3/40320 840.0 2.313 1.374 1.853 0.000 -0.020 0.000 3/40320 850.0 2.288 1.358 1.831 0.000 -0.020 0.000 3/40320 860.0 2.264 1.342 1.811 0.000 -0.020 0.000 3/40320 870.0 2.241 1.327 1.790 0.000 -0.019 0.000 3/40320 880.0 2.218 1.312 1.771 0.000 -0.019 0.000 3/40320 890.0 2.195 1.297 1.751 0.000 -0.019 0.000 3/40320 900.0 2.173 1.283 1.733 0.000 -0.019 0.000 3/40320 910.0 2.152 1.269 1.714 0.000 -0.018 0.000 3/40320 920.0 2.131 1.256 1.696 0.000 -0.018 0.000 3/40320 930.0 2.110 1.242 1.678 0.000 -0.018 0.000 3/40320 940.0 2.090 1.230 1.661 0.000 -0.018 0.000 3/40320 950.0 2.070 1.217 1.644 0.000 -0.018 0.000 3/40320 960.0 2.051 1.204 1.628 0.000 -0.017 0.000 3/40320 970.0 2.032 1.192 1.612 0.000 -0.017 0.000 3/40320 980.0 2.013 1.180 1.596 0.000 -0.017 0.000 3/40320 990.0 1.995 1.169 1.580 0.000 -0.017 0.000 3/40320 1000.0 1.977 1.157 1.565 0.000 -0.017 0.000 3/40320 Thermal conductivity related properties were written into "kappa-m1656.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:19:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|