----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:10:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.627733611371549 0.000000000000000 0.000000000000000 b 0.000000000000000 5.530364220000000 0.000000000000000 c -1.488145185494916 0.000000000000000 7.643301640645617 Atomic positions (fractional): *1 O 0.66234989765872 0.49030294171814 0.13587372864969 15.999 2 O 0.33765010234128 0.99030294171814 0.36412627135031 15.999 3 O 0.33765010234128 0.50969705828186 0.86412627135031 15.999 4 O 0.66234989765872 0.00969705828186 0.63587372864969 15.999 *5 O 0.61748772737463 0.01381137173372 0.16719563703807 15.999 6 O 0.38251227262537 0.51381137173372 0.33280436296193 15.999 7 O 0.38251227262537 0.98618862826628 0.83280436296193 15.999 8 O 0.61748772737463 0.48618862826628 0.66719563703807 15.999 *9 O 0.83226952188031 0.16177993177555 0.94679251014367 15.999 10 O 0.16773047811969 0.66177993177555 0.55320748985633 15.999 11 O 0.16773047811969 0.83822006822445 0.05320748985633 15.999 12 O 0.83226952188031 0.33822006822445 0.44679251014367 15.999 *13 O 0.94542187140127 0.58535554828501 0.79371392188946 15.999 14 O 0.05457812859873 0.08535554828501 0.70628607811054 15.999 15 O 0.05457812859873 0.41464445171499 0.20628607811054 15.999 16 O 0.94542187140127 0.91464445171499 0.29371392188946 15.999 *17 La 0.65341049223724 0.77285270420861 0.90197076749143 138.905 18 La 0.34658950776276 0.27285270420861 0.59802923250857 138.905 19 La 0.34658950776276 0.22714729579139 0.09802923250857 138.905 20 La 0.65341049223724 0.72714729579139 0.40197076749143 138.905 *21 Ta 0.83277641332391 0.26657610482195 0.69871825044548 180.948 22 Ta 0.16722358667609 0.76657610482195 0.80128174955452 180.948 23 Ta 0.16722358667609 0.73342389517805 0.30128174955452 180.948 24 Ta 0.83277641332391 0.23342389517805 0.19871825044548 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.627733611371549 0.000000000000000 0.000000000000000 b 0.000000000000000 5.530364220000000 0.000000000000000 c -1.488145185494916 0.000000000000000 7.643301640645617 Atomic positions (fractional): *1 O 0.66234989765872 0.49030294171814 0.13587372864969 15.999 > 1 2 O 0.33765010234128 0.99030294171814 0.36412627135031 15.999 > 2 3 O 0.33765010234128 0.50969705828186 0.86412627135031 15.999 > 3 4 O 0.66234989765872 0.00969705828186 0.63587372864969 15.999 > 4 *5 O 0.61748772737463 0.01381137173372 0.16719563703807 15.999 > 5 6 O 0.38251227262537 0.51381137173372 0.33280436296193 15.999 > 6 7 O 0.38251227262537 0.98618862826628 0.83280436296193 15.999 > 7 8 O 0.61748772737463 0.48618862826628 0.66719563703807 15.999 > 8 *9 O 0.83226952188031 0.16177993177555 0.94679251014367 15.999 > 9 10 O 0.16773047811969 0.66177993177555 0.55320748985633 15.999 > 10 11 O 0.16773047811969 0.83822006822445 0.05320748985633 15.999 > 11 12 O 0.83226952188031 0.33822006822445 0.44679251014367 15.999 > 12 *13 O 0.94542187140127 0.58535554828501 0.79371392188946 15.999 > 13 14 O 0.05457812859873 0.08535554828501 0.70628607811054 15.999 > 14 15 O 0.05457812859873 0.41464445171499 0.20628607811054 15.999 > 15 16 O 0.94542187140127 0.91464445171499 0.29371392188946 15.999 > 16 *17 La 0.65341049223724 0.77285270420861 0.90197076749143 138.905 > 17 18 La 0.34658950776276 0.27285270420861 0.59802923250857 138.905 > 18 19 La 0.34658950776276 0.22714729579139 0.09802923250857 138.905 > 19 20 La 0.65341049223724 0.72714729579139 0.40197076749143 138.905 > 20 *21 Ta 0.83277641332391 0.26657610482195 0.69871825044548 180.948 > 21 22 Ta 0.16722358667609 0.76657610482195 0.80128174955452 180.948 > 22 23 Ta 0.16722358667609 0.73342389517805 0.30128174955452 180.948 > 23 24 Ta 0.83277641332391 0.23342389517805 0.19871825044548 180.948 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.255467222743098 0.000000000000000 0.000000000000000 b 0.000000000000000 11.060728440000000 0.000000000000000 c -1.488145185494916 0.000000000000000 7.643301640645617 Atomic positions (fractional): *1 O 0.33117494882936 0.24515147085907 0.13587372864969 15.999 > 1 2 O 0.83117494882936 0.24515147085907 0.13587372864969 15.999 > 1 3 O 0.33117494882936 0.74515147085907 0.13587372864969 15.999 > 1 4 O 0.83117494882936 0.74515147085907 0.13587372864969 15.999 > 1 5 O 0.16882505117064 0.49515147085907 0.36412627135031 15.999 > 2 6 O 0.66882505117064 0.49515147085907 0.36412627135031 15.999 > 2 7 O 0.16882505117064 0.99515147085907 0.36412627135031 15.999 > 2 8 O 0.66882505117064 0.99515147085907 0.36412627135031 15.999 > 2 9 O 0.16882505117064 0.25484852914093 0.86412627135031 15.999 > 3 10 O 0.66882505117064 0.25484852914093 0.86412627135031 15.999 > 3 11 O 0.16882505117064 0.75484852914093 0.86412627135031 15.999 > 3 12 O 0.66882505117064 0.75484852914093 0.86412627135031 15.999 > 3 13 O 0.33117494882936 0.00484852914093 0.63587372864969 15.999 > 4 14 O 0.83117494882936 0.00484852914093 0.63587372864969 15.999 > 4 15 O 0.33117494882936 0.50484852914093 0.63587372864969 15.999 > 4 16 O 0.83117494882936 0.50484852914093 0.63587372864969 15.999 > 4 *17 O 0.30874386368732 0.00690568586686 0.16719563703807 15.999 > 5 18 O 0.80874386368732 0.00690568586686 0.16719563703807 15.999 > 5 19 O 0.30874386368732 0.50690568586686 0.16719563703807 15.999 > 5 20 O 0.80874386368732 0.50690568586686 0.16719563703807 15.999 > 5 21 O 0.19125613631268 0.25690568586686 0.33280436296193 15.999 > 6 22 O 0.69125613631268 0.25690568586686 0.33280436296193 15.999 > 6 23 O 0.19125613631268 0.75690568586686 0.33280436296193 15.999 > 6 24 O 0.69125613631268 0.75690568586686 0.33280436296193 15.999 > 6 25 O 0.19125613631268 0.49309431413314 0.83280436296193 15.999 > 7 26 O 0.69125613631268 0.49309431413314 0.83280436296193 15.999 > 7 27 O 0.19125613631268 0.99309431413314 0.83280436296193 15.999 > 7 28 O 0.69125613631268 0.99309431413314 0.83280436296193 15.999 > 7 29 O 0.30874386368732 0.24309431413314 0.66719563703807 15.999 > 8 30 O 0.80874386368732 0.24309431413314 0.66719563703807 15.999 > 8 31 O 0.30874386368732 0.74309431413314 0.66719563703807 15.999 > 8 32 O 0.80874386368732 0.74309431413314 0.66719563703807 15.999 > 8 *33 O 0.41613476094015 0.08088996588777 0.94679251014367 15.999 > 9 34 O 0.91613476094015 0.08088996588777 0.94679251014367 15.999 > 9 35 O 0.41613476094015 0.58088996588777 0.94679251014367 15.999 > 9 36 O 0.91613476094015 0.58088996588777 0.94679251014367 15.999 > 9 37 O 0.08386523905985 0.33088996588777 0.55320748985633 15.999 > 10 38 O 0.58386523905985 0.33088996588777 0.55320748985633 15.999 > 10 39 O 0.08386523905985 0.83088996588777 0.55320748985633 15.999 > 10 40 O 0.58386523905985 0.83088996588777 0.55320748985633 15.999 > 10 41 O 0.08386523905985 0.41911003411223 0.05320748985633 15.999 > 11 42 O 0.58386523905985 0.41911003411223 0.05320748985633 15.999 > 11 43 O 0.08386523905985 0.91911003411223 0.05320748985633 15.999 > 11 44 O 0.58386523905985 0.91911003411223 0.05320748985633 15.999 > 11 45 O 0.41613476094015 0.16911003411223 0.44679251014367 15.999 > 12 46 O 0.91613476094015 0.16911003411223 0.44679251014367 15.999 > 12 47 O 0.41613476094015 0.66911003411223 0.44679251014367 15.999 > 12 48 O 0.91613476094015 0.66911003411223 0.44679251014367 15.999 > 12 *49 O 0.47271093570063 0.29267777414251 0.79371392188946 15.999 > 13 50 O 0.97271093570063 0.29267777414251 0.79371392188946 15.999 > 13 51 O 0.47271093570063 0.79267777414251 0.79371392188946 15.999 > 13 52 O 0.97271093570063 0.79267777414251 0.79371392188946 15.999 > 13 53 O 0.02728906429937 0.04267777414251 0.70628607811054 15.999 > 14 54 O 0.52728906429937 0.04267777414251 0.70628607811054 15.999 > 14 55 O 0.02728906429937 0.54267777414251 0.70628607811054 15.999 > 14 56 O 0.52728906429937 0.54267777414251 0.70628607811054 15.999 > 14 57 O 0.02728906429937 0.20732222585749 0.20628607811054 15.999 > 15 58 O 0.52728906429937 0.20732222585749 0.20628607811054 15.999 > 15 59 O 0.02728906429937 0.70732222585749 0.20628607811054 15.999 > 15 60 O 0.52728906429937 0.70732222585749 0.20628607811054 15.999 > 15 61 O 0.47271093570063 0.45732222585749 0.29371392188946 15.999 > 16 62 O 0.97271093570063 0.45732222585749 0.29371392188946 15.999 > 16 63 O 0.47271093570063 0.95732222585749 0.29371392188946 15.999 > 16 64 O 0.97271093570063 0.95732222585749 0.29371392188946 15.999 > 16 *65 La 0.32670524611862 0.38642635210431 0.90197076749143 138.905 > 17 66 La 0.82670524611862 0.38642635210431 0.90197076749143 138.905 > 17 67 La 0.32670524611862 0.88642635210431 0.90197076749143 138.905 > 17 68 La 0.82670524611862 0.88642635210431 0.90197076749143 138.905 > 17 69 La 0.17329475388138 0.13642635210431 0.59802923250857 138.905 > 18 70 La 0.67329475388138 0.13642635210431 0.59802923250857 138.905 > 18 71 La 0.17329475388138 0.63642635210431 0.59802923250857 138.905 > 18 72 La 0.67329475388138 0.63642635210431 0.59802923250857 138.905 > 18 73 La 0.17329475388138 0.11357364789569 0.09802923250857 138.905 > 19 74 La 0.67329475388138 0.11357364789569 0.09802923250857 138.905 > 19 75 La 0.17329475388138 0.61357364789569 0.09802923250857 138.905 > 19 76 La 0.67329475388138 0.61357364789569 0.09802923250857 138.905 > 19 77 La 0.32670524611862 0.36357364789569 0.40197076749143 138.905 > 20 78 La 0.82670524611862 0.36357364789569 0.40197076749143 138.905 > 20 79 La 0.32670524611862 0.86357364789569 0.40197076749143 138.905 > 20 80 La 0.82670524611862 0.86357364789569 0.40197076749143 138.905 > 20 *81 Ta 0.41638820666195 0.13328805241097 0.69871825044548 180.948 > 21 82 Ta 0.91638820666195 0.13328805241097 0.69871825044548 180.948 > 21 83 Ta 0.41638820666195 0.63328805241097 0.69871825044548 180.948 > 21 84 Ta 0.91638820666195 0.63328805241097 0.69871825044548 180.948 > 21 85 Ta 0.08361179333804 0.38328805241098 0.80128174955452 180.948 > 22 86 Ta 0.58361179333805 0.38328805241098 0.80128174955452 180.948 > 22 87 Ta 0.08361179333804 0.88328805241097 0.80128174955452 180.948 > 22 88 Ta 0.58361179333805 0.88328805241097 0.80128174955452 180.948 > 22 89 Ta 0.08361179333804 0.36671194758902 0.30128174955452 180.948 > 23 90 Ta 0.58361179333805 0.36671194758902 0.30128174955452 180.948 > 23 91 Ta 0.08361179333804 0.86671194758903 0.30128174955452 180.948 > 23 92 Ta 0.58361179333805 0.86671194758903 0.30128174955452 180.948 > 23 93 Ta 0.41638820666195 0.11671194758903 0.19871825044548 180.948 > 24 94 Ta 0.91638820666195 0.11671194758903 0.19871825044548 180.948 > 24 95 Ta 0.41638820666195 0.61671194758903 0.19871825044548 180.948 > 24 96 Ta 0.91638820666195 0.61671194758903 0.19871825044548 180.948 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0662360 0.0000000 0.0162638 0.0000000 5.2794965 0.0000000 0.0162783 0.0000000 5.3550237 -------------------------- Born effective charges -------------------------- 1 O -2.4230321 0.9113138 -0.1771428 0.9826450 -3.2613662 0.5734546 -0.1975919 0.5328232 -2.5474881 2 O -2.4230321 -0.9113138 -0.1771428 -0.9826450 -3.2613662 -0.5734546 -0.1975919 -0.5328232 -2.5474881 3 O -2.4230321 0.9113138 -0.1771428 0.9826450 -3.2613662 0.5734546 -0.1975919 0.5328232 -2.5474881 4 O -2.4230321 -0.9113138 -0.1771428 -0.9826450 -3.2613662 -0.5734546 -0.1975919 -0.5328232 -2.5474881 5 O -3.5035355 -0.3650741 -0.3020314 -0.4792708 -2.9014811 0.1592679 -0.2121281 0.1539428 -2.3238430 6 O -3.5035355 0.3650741 -0.3020314 0.4792708 -2.9014811 -0.1592679 -0.2121281 -0.1539428 -2.3238430 7 O -3.5035355 -0.3650741 -0.3020314 -0.4792708 -2.9014811 0.1592679 -0.2121281 0.1539428 -2.3238430 8 O -3.5035355 0.3650741 -0.3020314 0.4792708 -2.9014811 -0.1592679 -0.2121281 -0.1539428 -2.3238430 9 O -1.5160015 -0.4411476 0.7968172 -0.3210250 -1.9570834 -0.2067549 0.7199139 0.1497074 -5.5473528 10 O -1.5160015 0.4411476 0.7968172 0.3210250 -1.9570834 0.2067549 0.7199139 -0.1497074 -5.5473528 11 O -1.5160015 -0.4411476 0.7968172 -0.3210250 -1.9570834 -0.2067549 0.7199139 0.1497074 -5.5473528 12 O -1.5160015 0.4411476 0.7968172 0.3210250 -1.9570834 0.2067549 0.7199139 -0.1497074 -5.5473528 13 O -3.6029341 -1.6747879 -0.3242394 -1.6499911 -3.4752175 -0.7502060 -0.2936685 -0.6893626 -1.6663367 14 O -3.6029341 1.6747879 -0.3242394 1.6499911 -3.4752175 0.7502060 -0.2936685 0.6893626 -1.6663367 15 O -3.6029341 -1.6747879 -0.3242394 -1.6499911 -3.4752175 -0.7502060 -0.2936685 -0.6893626 -1.6663367 16 O -3.6029341 1.6747879 -0.3242394 1.6499911 -3.4752175 0.7502060 -0.2936685 0.6893626 -1.6663367 17 La 4.1441936 -0.3459613 -0.1114512 -0.0087506 4.6011255 -0.0509655 -0.1068936 0.0430085 4.3269490 18 La 4.1441936 0.3459613 -0.1114512 0.0087506 4.6011255 0.0509655 -0.1068936 -0.0430085 4.3269490 19 La 4.1441936 -0.3459613 -0.1114512 -0.0087506 4.6011255 -0.0509655 -0.1068936 0.0430085 4.3269490 20 La 4.1441936 0.3459613 -0.1114512 0.0087506 4.6011255 0.0509655 -0.1068936 -0.0430085 4.3269490 21 Ta 6.9013097 0.3796053 0.1180477 -0.4909699 6.9940227 0.1004639 0.0903682 -0.9586514 7.7580716 22 Ta 6.9013097 -0.3796053 0.1180477 0.4909699 6.9940227 -0.1004639 0.0903682 0.9586514 7.7580716 23 Ta 6.9013097 0.3796053 0.1180477 -0.4909699 6.9940227 0.1004639 0.0903682 -0.9586514 7.7580716 24 Ta 6.9013097 -0.3796053 0.1180477 0.4909699 6.9940227 -0.1004639 0.0903682 0.9586514 7.7580716 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 1.510 Solver_block: 200 / 720 - Time: 0.953 Solver_block: 300 / 720 - Time: 1.064 Solver_block: 400 / 720 - Time: 0.855 Solver_block: 500 / 720 - Time: 1.112 Solver_block: 600 / 720 - Time: 0.928 Solver_block: 700 / 720 - Time: 0.722 Solver_block: 720 / 720 - Time: 0.432 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.980 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:11:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:11:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.627733611371549 0.000000000000000 0.000000000000000 b 0.000000000000000 5.530364220000000 0.000000000000000 c -1.488145185494916 0.000000000000000 7.643301640645617 Atomic positions (fractional): 1 O 0.66234989765872 0.49030294171814 0.13587372864969 15.999 2 O 0.33765010234128 0.99030294171814 0.36412627135031 15.999 3 O 0.33765010234128 0.50969705828186 0.86412627135031 15.999 4 O 0.66234989765872 0.00969705828186 0.63587372864969 15.999 5 O 0.61748772737463 0.01381137173372 0.16719563703807 15.999 6 O 0.38251227262537 0.51381137173372 0.33280436296193 15.999 7 O 0.38251227262537 0.98618862826628 0.83280436296193 15.999 8 O 0.61748772737463 0.48618862826628 0.66719563703807 15.999 9 O 0.83226952188031 0.16177993177555 0.94679251014367 15.999 10 O 0.16773047811969 0.66177993177555 0.55320748985633 15.999 11 O 0.16773047811969 0.83822006822445 0.05320748985633 15.999 12 O 0.83226952188031 0.33822006822445 0.44679251014367 15.999 13 O 0.94542187140127 0.58535554828501 0.79371392188946 15.999 14 O 0.05457812859873 0.08535554828501 0.70628607811054 15.999 15 O 0.05457812859873 0.41464445171499 0.20628607811054 15.999 16 O 0.94542187140127 0.91464445171499 0.29371392188946 15.999 17 La 0.65341049223724 0.77285270420861 0.90197076749143 138.905 18 La 0.34658950776276 0.27285270420861 0.59802923250857 138.905 19 La 0.34658950776276 0.22714729579139 0.09802923250857 138.905 20 La 0.65341049223724 0.72714729579139 0.40197076749143 138.905 21 Ta 0.83277641332391 0.26657610482195 0.69871825044548 180.948 22 Ta 0.16722358667609 0.76657610482195 0.80128174955452 180.948 23 Ta 0.16722358667609 0.73342389517805 0.30128174955452 180.948 24 Ta 0.83277641332391 0.23342389517805 0.19871825044548 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.255467222743098 0.000000000000000 0.000000000000000 b 0.000000000000000 11.060728440000000 0.000000000000000 c -1.488145185494916 0.000000000000000 7.643301640645617 Atomic positions (fractional): 1 O 0.33117494882936 0.24515147085907 0.13587372864969 15.999 > 1 2 O 0.83117494882936 0.24515147085907 0.13587372864969 15.999 > 1 3 O 0.33117494882936 0.74515147085907 0.13587372864969 15.999 > 1 4 O 0.83117494882936 0.74515147085907 0.13587372864969 15.999 > 1 5 O 0.16882505117064 0.49515147085907 0.36412627135031 15.999 > 5 6 O 0.66882505117064 0.49515147085907 0.36412627135031 15.999 > 5 7 O 0.16882505117064 0.99515147085907 0.36412627135031 15.999 > 5 8 O 0.66882505117064 0.99515147085907 0.36412627135031 15.999 > 5 9 O 0.16882505117064 0.25484852914093 0.86412627135031 15.999 > 9 10 O 0.66882505117064 0.25484852914093 0.86412627135031 15.999 > 9 11 O 0.16882505117064 0.75484852914093 0.86412627135031 15.999 > 9 12 O 0.66882505117064 0.75484852914093 0.86412627135031 15.999 > 9 13 O 0.33117494882936 0.00484852914093 0.63587372864969 15.999 > 13 14 O 0.83117494882936 0.00484852914093 0.63587372864969 15.999 > 13 15 O 0.33117494882936 0.50484852914093 0.63587372864969 15.999 > 13 16 O 0.83117494882936 0.50484852914093 0.63587372864969 15.999 > 13 17 O 0.30874386368732 0.00690568586686 0.16719563703807 15.999 > 17 18 O 0.80874386368732 0.00690568586686 0.16719563703807 15.999 > 17 19 O 0.30874386368732 0.50690568586686 0.16719563703807 15.999 > 17 20 O 0.80874386368732 0.50690568586686 0.16719563703807 15.999 > 17 21 O 0.19125613631268 0.25690568586686 0.33280436296193 15.999 > 21 22 O 0.69125613631268 0.25690568586686 0.33280436296193 15.999 > 21 23 O 0.19125613631268 0.75690568586686 0.33280436296193 15.999 > 21 24 O 0.69125613631268 0.75690568586686 0.33280436296193 15.999 > 21 25 O 0.19125613631268 0.49309431413314 0.83280436296193 15.999 > 25 26 O 0.69125613631268 0.49309431413314 0.83280436296193 15.999 > 25 27 O 0.19125613631268 0.99309431413314 0.83280436296193 15.999 > 25 28 O 0.69125613631268 0.99309431413314 0.83280436296193 15.999 > 25 29 O 0.30874386368732 0.24309431413314 0.66719563703807 15.999 > 29 30 O 0.80874386368732 0.24309431413314 0.66719563703807 15.999 > 29 31 O 0.30874386368732 0.74309431413314 0.66719563703807 15.999 > 29 32 O 0.80874386368732 0.74309431413314 0.66719563703807 15.999 > 29 33 O 0.41613476094015 0.08088996588777 0.94679251014367 15.999 > 33 34 O 0.91613476094015 0.08088996588777 0.94679251014367 15.999 > 33 35 O 0.41613476094015 0.58088996588777 0.94679251014367 15.999 > 33 36 O 0.91613476094015 0.58088996588777 0.94679251014367 15.999 > 33 37 O 0.08386523905985 0.33088996588777 0.55320748985633 15.999 > 37 38 O 0.58386523905985 0.33088996588777 0.55320748985633 15.999 > 37 39 O 0.08386523905985 0.83088996588777 0.55320748985633 15.999 > 37 40 O 0.58386523905985 0.83088996588777 0.55320748985633 15.999 > 37 41 O 0.08386523905985 0.41911003411223 0.05320748985633 15.999 > 41 42 O 0.58386523905985 0.41911003411223 0.05320748985633 15.999 > 41 43 O 0.08386523905985 0.91911003411223 0.05320748985633 15.999 > 41 44 O 0.58386523905985 0.91911003411223 0.05320748985633 15.999 > 41 45 O 0.41613476094015 0.16911003411223 0.44679251014367 15.999 > 45 46 O 0.91613476094015 0.16911003411223 0.44679251014367 15.999 > 45 47 O 0.41613476094015 0.66911003411223 0.44679251014367 15.999 > 45 48 O 0.91613476094015 0.66911003411223 0.44679251014367 15.999 > 45 49 O 0.47271093570063 0.29267777414251 0.79371392188946 15.999 > 49 50 O 0.97271093570063 0.29267777414251 0.79371392188946 15.999 > 49 51 O 0.47271093570063 0.79267777414251 0.79371392188946 15.999 > 49 52 O 0.97271093570063 0.79267777414251 0.79371392188946 15.999 > 49 53 O 0.02728906429937 0.04267777414251 0.70628607811054 15.999 > 53 54 O 0.52728906429937 0.04267777414251 0.70628607811054 15.999 > 53 55 O 0.02728906429937 0.54267777414251 0.70628607811054 15.999 > 53 56 O 0.52728906429937 0.54267777414251 0.70628607811054 15.999 > 53 57 O 0.02728906429937 0.20732222585749 0.20628607811054 15.999 > 57 58 O 0.52728906429937 0.20732222585749 0.20628607811054 15.999 > 57 59 O 0.02728906429937 0.70732222585749 0.20628607811054 15.999 > 57 60 O 0.52728906429937 0.70732222585749 0.20628607811054 15.999 > 57 61 O 0.47271093570063 0.45732222585749 0.29371392188946 15.999 > 61 62 O 0.97271093570063 0.45732222585749 0.29371392188946 15.999 > 61 63 O 0.47271093570063 0.95732222585749 0.29371392188946 15.999 > 61 64 O 0.97271093570063 0.95732222585749 0.29371392188946 15.999 > 61 65 La 0.32670524611862 0.38642635210431 0.90197076749143 138.905 > 65 66 La 0.82670524611862 0.38642635210431 0.90197076749143 138.905 > 65 67 La 0.32670524611862 0.88642635210431 0.90197076749143 138.905 > 65 68 La 0.82670524611862 0.88642635210431 0.90197076749143 138.905 > 65 69 La 0.17329475388138 0.13642635210431 0.59802923250857 138.905 > 69 70 La 0.67329475388138 0.13642635210431 0.59802923250857 138.905 > 69 71 La 0.17329475388138 0.63642635210431 0.59802923250857 138.905 > 69 72 La 0.67329475388138 0.63642635210431 0.59802923250857 138.905 > 69 73 La 0.17329475388138 0.11357364789569 0.09802923250857 138.905 > 73 74 La 0.67329475388138 0.11357364789569 0.09802923250857 138.905 > 73 75 La 0.17329475388138 0.61357364789569 0.09802923250857 138.905 > 73 76 La 0.67329475388138 0.61357364789569 0.09802923250857 138.905 > 73 77 La 0.32670524611862 0.36357364789569 0.40197076749143 138.905 > 77 78 La 0.82670524611862 0.36357364789569 0.40197076749143 138.905 > 77 79 La 0.32670524611862 0.86357364789569 0.40197076749143 138.905 > 77 80 La 0.82670524611862 0.86357364789569 0.40197076749143 138.905 > 77 81 Ta 0.41638820666195 0.13328805241097 0.69871825044548 180.948 > 81 82 Ta 0.91638820666195 0.13328805241097 0.69871825044548 180.948 > 81 83 Ta 0.41638820666195 0.63328805241097 0.69871825044548 180.948 > 81 84 Ta 0.91638820666195 0.63328805241097 0.69871825044548 180.948 > 81 85 Ta 0.08361179333804 0.38328805241098 0.80128174955452 180.948 > 85 86 Ta 0.58361179333805 0.38328805241098 0.80128174955452 180.948 > 85 87 Ta 0.08361179333804 0.88328805241097 0.80128174955452 180.948 > 85 88 Ta 0.58361179333805 0.88328805241097 0.80128174955452 180.948 > 85 89 Ta 0.08361179333804 0.36671194758902 0.30128174955452 180.948 > 89 90 Ta 0.58361179333805 0.36671194758902 0.30128174955452 180.948 > 89 91 Ta 0.08361179333804 0.86671194758903 0.30128174955452 180.948 > 89 92 Ta 0.58361179333805 0.86671194758903 0.30128174955452 180.948 > 89 93 Ta 0.41638820666195 0.11671194758903 0.19871825044548 180.948 > 93 94 Ta 0.91638820666195 0.11671194758903 0.19871825044548 180.948 > 93 95 Ta 0.41638820666195 0.61671194758903 0.19871825044548 180.948 > 93 96 Ta 0.91638820666195 0.61671194758903 0.19871825044548 180.948 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0662360 0.0000000 0.0162638 0.0000000 5.2794965 0.0000000 0.0162783 0.0000000 5.3550237 -------------------------- Born effective charges -------------------------- 1 O -2.4230321 0.9113138 -0.1771428 0.9826450 -3.2613662 0.5734546 -0.1975919 0.5328232 -2.5474881 2 O -2.4230321 -0.9113138 -0.1771428 -0.9826450 -3.2613662 -0.5734546 -0.1975919 -0.5328232 -2.5474881 3 O -2.4230321 0.9113138 -0.1771428 0.9826450 -3.2613662 0.5734546 -0.1975919 0.5328232 -2.5474881 4 O -2.4230321 -0.9113138 -0.1771428 -0.9826450 -3.2613662 -0.5734546 -0.1975919 -0.5328232 -2.5474881 5 O -3.5035355 -0.3650741 -0.3020314 -0.4792708 -2.9014811 0.1592679 -0.2121281 0.1539428 -2.3238430 6 O -3.5035355 0.3650741 -0.3020314 0.4792708 -2.9014811 -0.1592679 -0.2121281 -0.1539428 -2.3238430 7 O -3.5035355 -0.3650741 -0.3020314 -0.4792708 -2.9014811 0.1592679 -0.2121281 0.1539428 -2.3238430 8 O -3.5035355 0.3650741 -0.3020314 0.4792708 -2.9014811 -0.1592679 -0.2121281 -0.1539428 -2.3238430 9 O -1.5160015 -0.4411476 0.7968172 -0.3210250 -1.9570834 -0.2067549 0.7199139 0.1497074 -5.5473528 10 O -1.5160015 0.4411476 0.7968172 0.3210250 -1.9570834 0.2067549 0.7199139 -0.1497074 -5.5473528 11 O -1.5160015 -0.4411476 0.7968172 -0.3210250 -1.9570834 -0.2067549 0.7199139 0.1497074 -5.5473528 12 O -1.5160015 0.4411476 0.7968172 0.3210250 -1.9570834 0.2067549 0.7199139 -0.1497074 -5.5473528 13 O -3.6029341 -1.6747879 -0.3242394 -1.6499911 -3.4752175 -0.7502060 -0.2936685 -0.6893626 -1.6663367 14 O -3.6029341 1.6747879 -0.3242394 1.6499911 -3.4752175 0.7502060 -0.2936685 0.6893626 -1.6663367 15 O -3.6029341 -1.6747879 -0.3242394 -1.6499911 -3.4752175 -0.7502060 -0.2936685 -0.6893626 -1.6663367 16 O -3.6029341 1.6747879 -0.3242394 1.6499911 -3.4752175 0.7502060 -0.2936685 0.6893626 -1.6663367 17 La 4.1441936 -0.3459613 -0.1114512 -0.0087506 4.6011255 -0.0509655 -0.1068936 0.0430085 4.3269490 18 La 4.1441936 0.3459613 -0.1114512 0.0087506 4.6011255 0.0509655 -0.1068936 -0.0430085 4.3269490 19 La 4.1441936 -0.3459613 -0.1114512 -0.0087506 4.6011255 -0.0509655 -0.1068936 0.0430085 4.3269490 20 La 4.1441936 0.3459613 -0.1114512 0.0087506 4.6011255 0.0509655 -0.1068936 -0.0430085 4.3269490 21 Ta 6.9013097 0.3796053 0.1180477 -0.4909699 6.9940227 0.1004639 0.0903682 -0.9586514 7.7580716 22 Ta 6.9013097 -0.3796053 0.1180477 0.4909699 6.9940227 -0.1004639 0.0903682 0.9586514 7.7580716 23 Ta 6.9013097 0.3796053 0.1180477 -0.4909699 6.9940227 0.1004639 0.0903682 -0.9586514 7.7580716 24 Ta 6.9013097 -0.3796053 0.1180477 0.4909699 6.9940227 -0.1004639 0.0903682 0.9586514 7.7580716 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 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: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xz) 0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:11:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:11:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.627733611371549 0.000000000000000 0.000000000000000 b 0.000000000000000 5.530364220000000 0.000000000000000 c -1.488145185494916 0.000000000000000 7.643301640645617 Atomic positions (fractional): 1 O 0.66234989765872 0.49030294171814 0.13587372864969 15.999 2 O 0.33765010234128 0.99030294171814 0.36412627135031 15.999 3 O 0.33765010234128 0.50969705828186 0.86412627135031 15.999 4 O 0.66234989765872 0.00969705828186 0.63587372864969 15.999 5 O 0.61748772737463 0.01381137173372 0.16719563703807 15.999 6 O 0.38251227262537 0.51381137173372 0.33280436296193 15.999 7 O 0.38251227262537 0.98618862826628 0.83280436296193 15.999 8 O 0.61748772737463 0.48618862826628 0.66719563703807 15.999 9 O 0.83226952188031 0.16177993177555 0.94679251014367 15.999 10 O 0.16773047811969 0.66177993177555 0.55320748985633 15.999 11 O 0.16773047811969 0.83822006822445 0.05320748985633 15.999 12 O 0.83226952188031 0.33822006822445 0.44679251014367 15.999 13 O 0.94542187140127 0.58535554828501 0.79371392188946 15.999 14 O 0.05457812859873 0.08535554828501 0.70628607811054 15.999 15 O 0.05457812859873 0.41464445171499 0.20628607811054 15.999 16 O 0.94542187140127 0.91464445171499 0.29371392188946 15.999 17 La 0.65341049223724 0.77285270420861 0.90197076749143 138.905 18 La 0.34658950776276 0.27285270420861 0.59802923250857 138.905 19 La 0.34658950776276 0.22714729579139 0.09802923250857 138.905 20 La 0.65341049223724 0.72714729579139 0.40197076749143 138.905 21 Ta 0.83277641332391 0.26657610482195 0.69871825044548 180.948 22 Ta 0.16722358667609 0.76657610482195 0.80128174955452 180.948 23 Ta 0.16722358667609 0.73342389517805 0.30128174955452 180.948 24 Ta 0.83277641332391 0.23342389517805 0.19871825044548 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.255467222743098 0.000000000000000 0.000000000000000 b 0.000000000000000 11.060728440000000 0.000000000000000 c -1.488145185494916 0.000000000000000 7.643301640645617 Atomic positions (fractional): 1 O 0.33117494882936 0.24515147085907 0.13587372864969 15.999 > 1 2 O 0.83117494882936 0.24515147085907 0.13587372864969 15.999 > 1 3 O 0.33117494882936 0.74515147085907 0.13587372864969 15.999 > 1 4 O 0.83117494882936 0.74515147085907 0.13587372864969 15.999 > 1 5 O 0.16882505117064 0.49515147085907 0.36412627135031 15.999 > 5 6 O 0.66882505117064 0.49515147085907 0.36412627135031 15.999 > 5 7 O 0.16882505117064 0.99515147085907 0.36412627135031 15.999 > 5 8 O 0.66882505117064 0.99515147085907 0.36412627135031 15.999 > 5 9 O 0.16882505117064 0.25484852914093 0.86412627135031 15.999 > 9 10 O 0.66882505117064 0.25484852914093 0.86412627135031 15.999 > 9 11 O 0.16882505117064 0.75484852914093 0.86412627135031 15.999 > 9 12 O 0.66882505117064 0.75484852914093 0.86412627135031 15.999 > 9 13 O 0.33117494882936 0.00484852914093 0.63587372864969 15.999 > 13 14 O 0.83117494882936 0.00484852914093 0.63587372864969 15.999 > 13 15 O 0.33117494882936 0.50484852914093 0.63587372864969 15.999 > 13 16 O 0.83117494882936 0.50484852914093 0.63587372864969 15.999 > 13 17 O 0.30874386368732 0.00690568586686 0.16719563703807 15.999 > 17 18 O 0.80874386368732 0.00690568586686 0.16719563703807 15.999 > 17 19 O 0.30874386368732 0.50690568586686 0.16719563703807 15.999 > 17 20 O 0.80874386368732 0.50690568586686 0.16719563703807 15.999 > 17 21 O 0.19125613631268 0.25690568586686 0.33280436296193 15.999 > 21 22 O 0.69125613631268 0.25690568586686 0.33280436296193 15.999 > 21 23 O 0.19125613631268 0.75690568586686 0.33280436296193 15.999 > 21 24 O 0.69125613631268 0.75690568586686 0.33280436296193 15.999 > 21 25 O 0.19125613631268 0.49309431413314 0.83280436296193 15.999 > 25 26 O 0.69125613631268 0.49309431413314 0.83280436296193 15.999 > 25 27 O 0.19125613631268 0.99309431413314 0.83280436296193 15.999 > 25 28 O 0.69125613631268 0.99309431413314 0.83280436296193 15.999 > 25 29 O 0.30874386368732 0.24309431413314 0.66719563703807 15.999 > 29 30 O 0.80874386368732 0.24309431413314 0.66719563703807 15.999 > 29 31 O 0.30874386368732 0.74309431413314 0.66719563703807 15.999 > 29 32 O 0.80874386368732 0.74309431413314 0.66719563703807 15.999 > 29 33 O 0.41613476094015 0.08088996588777 0.94679251014367 15.999 > 33 34 O 0.91613476094015 0.08088996588777 0.94679251014367 15.999 > 33 35 O 0.41613476094015 0.58088996588777 0.94679251014367 15.999 > 33 36 O 0.91613476094015 0.58088996588777 0.94679251014367 15.999 > 33 37 O 0.08386523905985 0.33088996588777 0.55320748985633 15.999 > 37 38 O 0.58386523905985 0.33088996588777 0.55320748985633 15.999 > 37 39 O 0.08386523905985 0.83088996588777 0.55320748985633 15.999 > 37 40 O 0.58386523905985 0.83088996588777 0.55320748985633 15.999 > 37 41 O 0.08386523905985 0.41911003411223 0.05320748985633 15.999 > 41 42 O 0.58386523905985 0.41911003411223 0.05320748985633 15.999 > 41 43 O 0.08386523905985 0.91911003411223 0.05320748985633 15.999 > 41 44 O 0.58386523905985 0.91911003411223 0.05320748985633 15.999 > 41 45 O 0.41613476094015 0.16911003411223 0.44679251014367 15.999 > 45 46 O 0.91613476094015 0.16911003411223 0.44679251014367 15.999 > 45 47 O 0.41613476094015 0.66911003411223 0.44679251014367 15.999 > 45 48 O 0.91613476094015 0.66911003411223 0.44679251014367 15.999 > 45 49 O 0.47271093570063 0.29267777414251 0.79371392188946 15.999 > 49 50 O 0.97271093570063 0.29267777414251 0.79371392188946 15.999 > 49 51 O 0.47271093570063 0.79267777414251 0.79371392188946 15.999 > 49 52 O 0.97271093570063 0.79267777414251 0.79371392188946 15.999 > 49 53 O 0.02728906429937 0.04267777414251 0.70628607811054 15.999 > 53 54 O 0.52728906429937 0.04267777414251 0.70628607811054 15.999 > 53 55 O 0.02728906429937 0.54267777414251 0.70628607811054 15.999 > 53 56 O 0.52728906429937 0.54267777414251 0.70628607811054 15.999 > 53 57 O 0.02728906429937 0.20732222585749 0.20628607811054 15.999 > 57 58 O 0.52728906429937 0.20732222585749 0.20628607811054 15.999 > 57 59 O 0.02728906429937 0.70732222585749 0.20628607811054 15.999 > 57 60 O 0.52728906429937 0.70732222585749 0.20628607811054 15.999 > 57 61 O 0.47271093570063 0.45732222585749 0.29371392188946 15.999 > 61 62 O 0.97271093570063 0.45732222585749 0.29371392188946 15.999 > 61 63 O 0.47271093570063 0.95732222585749 0.29371392188946 15.999 > 61 64 O 0.97271093570063 0.95732222585749 0.29371392188946 15.999 > 61 65 La 0.32670524611862 0.38642635210431 0.90197076749143 138.905 > 65 66 La 0.82670524611862 0.38642635210431 0.90197076749143 138.905 > 65 67 La 0.32670524611862 0.88642635210431 0.90197076749143 138.905 > 65 68 La 0.82670524611862 0.88642635210431 0.90197076749143 138.905 > 65 69 La 0.17329475388138 0.13642635210431 0.59802923250857 138.905 > 69 70 La 0.67329475388138 0.13642635210431 0.59802923250857 138.905 > 69 71 La 0.17329475388138 0.63642635210431 0.59802923250857 138.905 > 69 72 La 0.67329475388138 0.63642635210431 0.59802923250857 138.905 > 69 73 La 0.17329475388138 0.11357364789569 0.09802923250857 138.905 > 73 74 La 0.67329475388138 0.11357364789569 0.09802923250857 138.905 > 73 75 La 0.17329475388138 0.61357364789569 0.09802923250857 138.905 > 73 76 La 0.67329475388138 0.61357364789569 0.09802923250857 138.905 > 73 77 La 0.32670524611862 0.36357364789569 0.40197076749143 138.905 > 77 78 La 0.82670524611862 0.36357364789569 0.40197076749143 138.905 > 77 79 La 0.32670524611862 0.86357364789569 0.40197076749143 138.905 > 77 80 La 0.82670524611862 0.86357364789569 0.40197076749143 138.905 > 77 81 Ta 0.41638820666195 0.13328805241097 0.69871825044548 180.948 > 81 82 Ta 0.91638820666195 0.13328805241097 0.69871825044548 180.948 > 81 83 Ta 0.41638820666195 0.63328805241097 0.69871825044548 180.948 > 81 84 Ta 0.91638820666195 0.63328805241097 0.69871825044548 180.948 > 81 85 Ta 0.08361179333804 0.38328805241098 0.80128174955452 180.948 > 85 86 Ta 0.58361179333805 0.38328805241098 0.80128174955452 180.948 > 85 87 Ta 0.08361179333804 0.88328805241097 0.80128174955452 180.948 > 85 88 Ta 0.58361179333805 0.88328805241097 0.80128174955452 180.948 > 85 89 Ta 0.08361179333804 0.36671194758902 0.30128174955452 180.948 > 89 90 Ta 0.58361179333805 0.36671194758902 0.30128174955452 180.948 > 89 91 Ta 0.08361179333804 0.86671194758903 0.30128174955452 180.948 > 89 92 Ta 0.58361179333805 0.86671194758903 0.30128174955452 180.948 > 89 93 Ta 0.41638820666195 0.11671194758903 0.19871825044548 180.948 > 93 94 Ta 0.91638820666195 0.11671194758903 0.19871825044548 180.948 > 93 95 Ta 0.41638820666195 0.61671194758903 0.19871825044548 180.948 > 93 96 Ta 0.91638820666195 0.61671194758903 0.19871825044548 180.948 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0662360 0.0000000 0.0162638 0.0000000 5.2794965 0.0000000 0.0162783 0.0000000 5.3550237 -------------------------- Born effective charges -------------------------- 1 O -2.4230321 0.9113138 -0.1771428 0.9826450 -3.2613662 0.5734546 -0.1975919 0.5328232 -2.5474881 2 O -2.4230321 -0.9113138 -0.1771428 -0.9826450 -3.2613662 -0.5734546 -0.1975919 -0.5328232 -2.5474881 3 O -2.4230321 0.9113138 -0.1771428 0.9826450 -3.2613662 0.5734546 -0.1975919 0.5328232 -2.5474881 4 O -2.4230321 -0.9113138 -0.1771428 -0.9826450 -3.2613662 -0.5734546 -0.1975919 -0.5328232 -2.5474881 5 O -3.5035355 -0.3650741 -0.3020314 -0.4792708 -2.9014811 0.1592679 -0.2121281 0.1539428 -2.3238430 6 O -3.5035355 0.3650741 -0.3020314 0.4792708 -2.9014811 -0.1592679 -0.2121281 -0.1539428 -2.3238430 7 O -3.5035355 -0.3650741 -0.3020314 -0.4792708 -2.9014811 0.1592679 -0.2121281 0.1539428 -2.3238430 8 O -3.5035355 0.3650741 -0.3020314 0.4792708 -2.9014811 -0.1592679 -0.2121281 -0.1539428 -2.3238430 9 O -1.5160015 -0.4411476 0.7968172 -0.3210250 -1.9570834 -0.2067549 0.7199139 0.1497074 -5.5473528 10 O -1.5160015 0.4411476 0.7968172 0.3210250 -1.9570834 0.2067549 0.7199139 -0.1497074 -5.5473528 11 O -1.5160015 -0.4411476 0.7968172 -0.3210250 -1.9570834 -0.2067549 0.7199139 0.1497074 -5.5473528 12 O -1.5160015 0.4411476 0.7968172 0.3210250 -1.9570834 0.2067549 0.7199139 -0.1497074 -5.5473528 13 O -3.6029341 -1.6747879 -0.3242394 -1.6499911 -3.4752175 -0.7502060 -0.2936685 -0.6893626 -1.6663367 14 O -3.6029341 1.6747879 -0.3242394 1.6499911 -3.4752175 0.7502060 -0.2936685 0.6893626 -1.6663367 15 O -3.6029341 -1.6747879 -0.3242394 -1.6499911 -3.4752175 -0.7502060 -0.2936685 -0.6893626 -1.6663367 16 O -3.6029341 1.6747879 -0.3242394 1.6499911 -3.4752175 0.7502060 -0.2936685 0.6893626 -1.6663367 17 La 4.1441936 -0.3459613 -0.1114512 -0.0087506 4.6011255 -0.0509655 -0.1068936 0.0430085 4.3269490 18 La 4.1441936 0.3459613 -0.1114512 0.0087506 4.6011255 0.0509655 -0.1068936 -0.0430085 4.3269490 19 La 4.1441936 -0.3459613 -0.1114512 -0.0087506 4.6011255 -0.0509655 -0.1068936 0.0430085 4.3269490 20 La 4.1441936 0.3459613 -0.1114512 0.0087506 4.6011255 0.0509655 -0.1068936 -0.0430085 4.3269490 21 Ta 6.9013097 0.3796053 0.1180477 -0.4909699 6.9940227 0.1004639 0.0903682 -0.9586514 7.7580716 22 Ta 6.9013097 -0.3796053 0.1180477 0.4909699 6.9940227 -0.1004639 0.0903682 0.9586514 7.7580716 23 Ta 6.9013097 0.3796053 0.1180477 -0.4909699 6.9940227 0.1004639 0.0903682 -0.9586514 7.7580716 24 Ta 6.9013097 -0.3796053 0.1180477 0.4909699 6.9940227 -0.1004639 0.0903682 0.9586514 7.7580716 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 9 7 ] 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: 0.61, Number of G-points: 301, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.327 ( 0.000 0.000 0.000) 0.000 1.743 ( 0.000 0.000 0.000) 0.000 2.251 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.484 ( 0.000 0.000 0.000) 0.000 5.638 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.775 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.642 ( 0.000 0.000 0.000) 0.000 7.477 ( 0.000 0.000 0.000) 0.000 7.590 ( 0.000 0.000 0.000) 0.000 7.934 ( 0.000 0.000 0.000) 0.000 7.986 ( 0.000 0.000 0.000) 0.000 8.167 ( 0.000 0.000 0.000) 0.000 8.197 ( 0.000 0.000 0.000) 0.000 8.240 ( 0.000 0.000 0.000) 0.000 8.507 ( 0.000 0.000 0.000) 0.000 8.745 ( 0.000 0.000 0.000) 0.000 9.021 ( 0.000 0.000 0.000) 0.000 9.243 ( 0.000 0.000 0.000) 0.000 9.487 ( 0.000 0.000 0.000) 0.000 9.527 ( 0.000 0.000 0.000) 0.000 9.989 ( 0.000 0.000 0.000) 0.000 10.030 ( 0.000 0.000 0.000) 0.000 10.647 ( 0.000 0.000 0.000) 0.000 10.689 ( 0.000 0.000 0.000) 0.000 10.738 ( 0.000 0.000 0.000) 0.000 11.125 ( 0.000 0.000 0.000) 0.000 11.327 ( 0.000 0.000 0.000) 0.000 11.772 ( 0.000 0.000 0.000) 0.000 12.593 ( 0.000 0.000 0.000) 0.000 12.660 ( 0.000 0.000 0.000) 0.000 12.666 ( 0.000 0.000 0.000) 0.000 13.165 ( 0.000 0.000 0.000) 0.000 13.209 ( 0.000 0.000 0.000) 0.000 13.902 ( 0.000 0.000 0.000) 0.000 14.622 ( 0.000 0.000 0.000) 0.000 14.891 ( 0.000 0.000 0.000) 0.000 15.121 ( 0.000 0.000 0.000) 0.000 15.836 ( 0.000 0.000 0.000) 0.000 16.457 ( 0.000 0.000 0.000) 0.000 16.475 ( 0.000 0.000 0.000) 0.000 16.606 ( 0.000 0.000 0.000) 0.000 17.353 ( 0.000 0.000 0.000) 0.000 18.097 ( 0.000 0.000 0.000) 0.000 18.501 ( 0.000 0.000 0.000) 0.000 18.552 ( 0.000 0.000 0.000) 0.000 18.831 ( 0.000 0.000 0.000) 0.000 19.043 ( 0.000 0.000 0.000) 0.000 21.511 ( 0.000 0.000 0.000) 0.000 24.198 ( 0.000 0.000 0.000) 0.000 24.660 ( 0.000 0.000 0.000) 0.000 25.617 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 18.556 0.000 6.010) 19.505 0.457 ( 19.104 0.000 18.117) 26.329 0.951 ( 45.594 0.000 12.198) 47.197 1.352 ( 4.181 0.000 -4.602) 6.217 1.799 ( 5.856 0.000 -3.375) 6.759 2.282 ( 3.774 0.000 0.140) 3.776 2.461 ( 0.011 0.000 5.659) 5.659 2.770 ( -2.023 0.000 0.918) 2.222 2.879 ( 3.550 0.000 -3.438) 4.942 3.411 ( -2.122 0.000 5.084) 5.509 3.412 ( -5.474 0.000 1.706) 5.734 3.607 ( -5.559 0.000 4.442) 7.116 3.741 ( -1.282 0.000 1.225) 1.773 3.838 ( 3.227 0.000 -3.843) 5.018 3.959 ( 0.978 0.000 0.628) 1.163 4.311 ( -11.288 0.000 5.672) 12.633 4.529 ( -5.349 0.000 32.423) 32.861 4.620 ( -7.432 0.000 -1.511) 7.584 4.777 ( 7.151 0.000 -8.972) 11.474 4.794 ( 8.456 0.000 -56.279) 56.911 5.323 ( 0.587 0.000 5.870) 5.899 5.493 ( 0.849 0.000 0.419) 0.947 5.675 ( 0.864 0.000 -1.837) 2.030 5.730 ( -3.236 0.000 -2.033) 3.822 5.814 ( 8.069 0.000 2.781) 8.535 6.333 ( 5.479 0.000 2.523) 6.032 6.343 ( -9.077 0.000 61.571) 62.236 6.664 ( 1.874 0.000 0.879) 2.070 7.547 ( 3.199 0.000 6.735) 7.456 7.602 ( 2.071 0.000 4.127) 4.618 7.857 ( -6.388 0.000 1.905) 6.666 8.007 ( 0.925 0.000 -1.940) 2.149 8.142 ( -2.505 0.000 0.042) 2.505 8.151 ( -4.532 0.000 -12.640) 13.428 8.459 ( -1.847 0.000 11.481) 11.628 8.540 ( -2.448 0.000 8.272) 8.627 8.854 ( -5.880 0.000 -22.172) 22.939 9.066 ( 4.858 0.000 -1.361) 5.045 9.448 ( -2.709 0.000 -0.086) 2.711 9.513 ( 16.681 0.000 -4.695) 17.329 9.529 ( -1.356 0.000 3.307) 3.574 10.017 ( 1.160 0.000 -9.732) 9.801 10.515 ( -15.545 0.000 9.109) 18.017 10.601 ( -5.241 0.000 2.601) 5.851 10.816 ( 6.520 0.000 -15.709) 17.008 11.116 ( -0.867 0.000 0.961) 1.295 11.219 ( -0.074 0.000 -0.319) 0.327 11.840 ( 5.713 0.000 5.633) 8.023 12.516 ( 0.207 0.000 -22.310) 22.311 12.612 ( -2.231 0.000 2.526) 3.370 12.713 ( 10.690 0.000 -30.608) 32.421 12.781 ( 8.499 0.000 -8.033) 11.694 13.094 ( -9.508 0.000 2.379) 9.801 13.239 ( 7.687 0.000 0.957) 7.746 14.726 ( -9.927 0.000 16.829) 19.539 14.755 ( 11.940 0.000 2.900) 12.287 15.119 ( -0.237 0.000 0.153) 0.283 15.784 ( -3.415 0.000 -5.555) 6.520 16.345 ( -1.479 0.000 -37.722) 37.751 16.475 ( 1.023 0.000 0.030) 1.023 16.642 ( 1.660 0.000 4.459) 4.758 17.351 ( -0.989 0.000 3.496) 3.633 17.380 ( -8.946 0.000 35.441) 36.553 18.032 ( -6.705 0.000 0.854) 6.760 18.447 ( -6.111 0.000 -4.743) 7.735 18.553 ( 4.654 0.000 1.048) 4.770 18.967 ( 9.568 0.000 3.793) 10.292 21.374 ( -5.143 0.000 23.582) 24.136 21.515 ( -0.147 0.000 2.282) 2.287 24.655 ( -0.720 0.000 1.297) 1.483 24.663 ( 0.385 0.000 -0.566) 0.684 25.620 ( 0.390 0.000 -0.516) 0.647 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 14.163 0.000 3.154) 14.510 0.812 ( 11.321 0.000 16.221) 19.781 1.380 ( 6.814 0.000 -12.169) 13.947 1.832 ( 37.590 0.000 13.340) 39.886 1.887 ( 3.714 0.000 -3.360) 5.009 2.417 ( 10.731 0.000 0.232) 10.734 2.494 ( 1.230 0.000 5.531) 5.666 2.728 ( -1.956 0.000 -0.416) 2.000 2.940 ( 4.096 0.000 -5.477) 6.840 3.272 ( -10.728 0.000 4.411) 11.600 3.393 ( -1.906 0.000 6.041) 6.335 3.490 ( -8.175 0.000 2.288) 8.489 3.687 ( -5.459 0.000 -0.143) 5.461 3.878 ( 1.823 0.000 -1.579) 2.412 4.007 ( 4.241 0.000 -0.236) 4.248 4.126 ( -7.618 0.000 -2.180) 7.924 4.447 ( -7.552 0.000 -6.927) 10.248 4.520 ( -3.968 0.000 13.101) 13.689 4.734 ( 1.223 0.000 -23.867) 23.898 4.924 ( 8.591 0.000 -2.731) 9.015 5.349 ( 0.230 0.000 3.015) 3.024 5.514 ( 0.815 0.000 1.263) 1.503 5.662 ( -0.853 0.000 -1.840) 2.028 5.676 ( -1.400 0.000 -1.695) 2.198 5.973 ( 6.162 0.000 3.891) 7.287 6.384 ( -3.836 0.000 26.137) 26.417 6.493 ( 9.492 0.000 2.425) 9.797 6.697 ( 0.589 0.000 0.957) 1.124 7.545 ( -3.483 0.000 4.268) 5.509 7.755 ( -0.911 0.000 1.677) 1.908 7.755 ( 5.608 0.000 4.252) 7.038 7.993 ( -1.820 0.000 -1.111) 2.133 8.040 ( -1.586 0.000 -12.591) 12.690 8.095 ( -1.985 0.000 0.262) 2.003 8.363 ( -9.160 0.000 1.153) 9.232 8.526 ( -0.419 0.000 3.445) 3.471 8.814 ( 3.893 0.000 -1.448) 4.154 9.169 ( 6.531 0.000 -4.874) 8.150 9.426 ( 0.093 0.000 4.033) 4.034 9.490 ( -4.163 0.000 5.099) 6.583 9.710 ( 1.883 0.000 9.692) 9.873 10.051 ( 10.098 0.000 -22.565) 24.721 10.206 ( -18.558 0.000 2.693) 18.753 10.484 ( -8.735 0.000 7.522) 11.528 10.850 ( 2.959 0.000 -13.316) 13.641 11.112 ( -0.078 0.000 2.458) 2.459 11.210 ( 0.053 0.000 -4.223) 4.223 12.003 ( 8.358 0.000 7.695) 11.361 12.455 ( -0.818 0.000 -8.218) 8.259 12.559 ( -4.582 0.000 -3.243) 5.613 12.768 ( -6.212 0.000 -3.885) 7.327 12.783 ( 5.067 0.000 -11.927) 12.959 13.097 ( 8.683 0.000 2.371) 9.001 13.450 ( 14.005 0.000 0.341) 14.009 14.545 ( -14.239 0.000 10.154) 17.488 15.010 ( 11.209 0.000 5.050) 12.294 15.117 ( 0.060 0.000 0.184) 0.193 15.734 ( 3.211 0.000 -7.655) 8.301 16.163 ( -5.711 0.000 -19.341) 20.167 16.448 ( -5.008 0.000 -0.809) 5.073 16.682 ( 0.896 0.000 4.131) 4.227 17.341 ( -4.158 0.000 12.337) 13.019 17.343 ( -1.078 0.000 3.801) 3.951 17.881 ( -8.766 0.000 0.947) 8.817 18.348 ( -2.787 0.000 -3.502) 4.475 18.653 ( 4.880 0.000 1.055) 4.992 19.143 ( 7.137 0.000 2.898) 7.703 21.363 ( -2.014 0.000 7.562) 7.826 21.520 ( -0.253 0.000 2.288) 2.302 24.645 ( -0.838 0.000 1.602) 1.808 24.669 ( 0.411 0.000 -0.322) 0.523 25.626 ( 0.435 0.000 -0.635) 0.770 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 5.740 0.000 0.794) 5.795 0.986 ( 2.960 0.000 6.843) 7.455 1.449 ( 3.524 0.000 -5.788) 6.777 1.910 ( 0.234 0.000 -1.096) 1.121 2.437 ( 19.004 0.000 -2.781) 19.206 2.550 ( 2.639 0.000 14.936) 15.167 2.606 ( 3.789 0.000 2.530) 4.556 2.762 ( 10.481 0.000 -5.911) 12.033 2.985 ( 2.978 0.000 -4.251) 5.190 3.048 ( -14.318 0.000 5.311) 15.271 3.271 ( -10.355 0.000 -5.941) 11.939 3.440 ( 1.504 0.000 9.368) 9.488 3.548 ( -6.831 0.000 -4.034) 7.933 3.894 ( 0.303 0.000 0.083) 0.314 4.040 ( -1.553 0.000 -0.580) 1.658 4.106 ( 5.383 0.000 0.342) 5.394 4.302 ( -5.435 0.000 -3.756) 6.607 4.495 ( -1.327 0.000 2.555) 2.879 4.684 ( -0.214 0.000 -6.784) 6.788 5.038 ( 3.632 0.000 -0.823) 3.724 5.353 ( -0.362 0.000 0.954) 1.020 5.530 ( 0.437 0.000 0.762) 0.879 5.640 ( -0.773 0.000 -0.808) 1.118 5.661 ( -0.098 0.000 -0.542) 0.551 6.066 ( 2.465 0.000 1.627) 2.953 6.395 ( -1.431 0.000 8.116) 8.242 6.644 ( 4.536 0.000 1.028) 4.651 6.689 ( -0.981 0.000 0.390) 1.056 7.492 ( -2.193 0.000 0.716) 2.307 7.725 ( 0.242 0.000 -0.440) 0.502 7.890 ( 3.327 0.000 2.134) 3.952 7.948 ( -1.904 0.000 -0.111) 1.908 8.006 ( 0.836 0.000 -4.500) 4.577 8.074 ( -0.430 0.000 0.214) 0.481 8.226 ( -4.576 0.000 1.031) 4.691 8.535 ( 0.249 0.000 0.940) 0.973 8.897 ( 3.389 0.000 0.302) 3.403 9.261 ( 5.322 0.000 -6.890) 8.706 9.406 ( -4.637 0.000 7.274) 8.626 9.491 ( 2.179 0.000 3.390) 4.030 9.703 ( -2.533 0.000 3.759) 4.532 9.912 ( -10.400 0.000 -1.349) 10.487 10.196 ( 12.130 0.000 -20.087) 23.466 10.343 ( -10.409 0.000 14.439) 17.800 10.845 ( 0.569 0.000 -5.402) 5.432 11.125 ( 0.323 0.000 1.544) 1.577 11.197 ( -0.058 0.000 -2.209) 2.210 12.189 ( 8.126 0.000 6.212) 10.228 12.410 ( -8.021 0.000 -4.805) 9.350 12.425 ( -0.400 0.000 -1.988) 2.028 12.684 ( -1.731 0.000 -0.995) 1.997 12.817 ( 1.620 0.000 -3.673) 4.014 13.252 ( 4.941 0.000 0.724) 4.994 13.717 ( 11.883 0.000 -0.991) 11.924 14.305 ( -11.857 0.000 4.735) 12.768 15.121 ( 0.193 0.000 0.115) 0.225 15.140 ( 1.703 0.000 2.205) 2.786 15.910 ( 16.033 0.000 -3.482) 16.407 16.029 ( -2.799 0.000 -6.414) 6.998 16.258 ( -14.269 0.000 -0.186) 14.270 16.704 ( 0.306 0.000 1.562) 1.592 17.319 ( -1.245 0.000 3.228) 3.460 17.347 ( 0.259 0.000 1.382) 1.406 17.751 ( -4.338 0.000 0.426) 4.359 18.310 ( -0.619 0.000 -1.115) 1.275 18.723 ( 1.940 0.000 0.408) 1.983 19.242 ( 2.510 0.000 1.058) 2.724 21.356 ( -0.575 0.000 1.915) 1.999 21.522 ( -0.136 0.000 0.882) 0.893 24.638 ( -0.352 0.000 0.708) 0.791 24.674 ( 0.180 0.000 -0.116) 0.214 25.631 ( 0.176 0.000 -0.281) 0.331 ======================= Grid point 7 (5/125) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 24.977 0.000) 24.977 0.694 ( 0.000 32.012 0.000) 32.012 1.131 ( 0.000 52.342 0.000) 52.342 1.357 ( 0.000 3.642 0.000) 3.642 1.831 ( 0.000 7.598 0.000) 7.598 2.257 ( 0.000 1.212 0.000) 1.212 2.471 ( 0.000 2.583 0.000) 2.583 2.833 ( 0.000 2.887 0.000) 2.887 2.862 ( 0.000 1.111 0.000) 1.111 3.401 ( 0.000 -2.188 0.000) 2.188 3.502 ( 0.000 1.732 0.000) 1.732 3.581 ( 0.000 -7.920 0.000) 7.920 3.614 ( 0.000 0.034 0.000) 0.034 3.690 ( 0.000 -5.368 0.000) 5.368 3.832 ( 0.000 -0.621 0.000) 0.621 4.132 ( 0.000 -8.072 0.000) 8.072 4.419 ( 0.000 -2.161 0.000) 2.161 4.533 ( 0.000 -8.229 0.000) 8.229 4.763 ( 0.000 5.024 0.000) 5.024 4.846 ( 0.000 -6.132 0.000) 6.132 5.268 ( 0.000 -2.593 0.000) 2.593 5.353 ( 0.000 -7.879 0.000) 7.879 5.723 ( 0.000 3.352 0.000) 3.352 5.764 ( 0.000 2.084 0.000) 2.084 5.971 ( 0.000 11.299 0.000) 11.299 6.047 ( 0.000 8.053 0.000) 8.053 6.409 ( 0.000 0.946 0.000) 0.946 6.571 ( 0.000 -6.039 0.000) 6.039 7.490 ( 0.000 2.166 0.000) 2.166 7.671 ( 0.000 7.217 0.000) 7.217 8.053 ( 0.000 5.111 0.000) 5.111 8.109 ( 0.000 2.226 0.000) 2.226 8.218 ( 0.000 -4.804 0.000) 4.804 8.276 ( 0.000 4.693 0.000) 4.693 8.403 ( 0.000 12.740 0.000) 12.740 8.493 ( 0.000 -0.405 0.000) 0.405 8.738 ( 0.000 1.179 0.000) 1.179 9.199 ( 0.000 -3.305 0.000) 3.305 9.501 ( 0.000 -0.414 0.000) 0.414 9.559 ( 0.000 2.251 0.000) 2.251 9.939 ( 0.000 -4.123 0.000) 4.123 9.981 ( 0.000 -3.456 0.000) 3.456 10.678 ( 0.000 1.985 0.000) 1.985 10.738 ( 0.000 7.089 0.000) 7.089 10.803 ( 0.000 5.969 0.000) 5.969 11.122 ( 0.000 -0.115 0.000) 0.115 11.319 ( 0.000 -0.410 0.000) 0.410 11.616 ( 0.000 6.008 0.000) 6.008 11.784 ( 0.000 1.068 0.000) 1.068 12.582 ( 0.000 -1.364 0.000) 1.364 12.640 ( 0.000 -1.531 0.000) 1.531 12.924 ( 0.000 -13.030 0.000) 13.030 13.399 ( 0.000 9.053 0.000) 9.053 13.924 ( 0.000 1.801 0.000) 1.801 14.598 ( 0.000 -2.108 0.000) 2.108 14.923 ( 0.000 2.905 0.000) 2.905 15.064 ( 0.000 -5.002 0.000) 5.002 15.278 ( 0.000 3.352 0.000) 3.352 15.764 ( 0.000 -6.536 0.000) 6.536 16.481 ( 0.000 0.348 0.000) 0.348 16.496 ( 0.000 -8.856 0.000) 8.856 16.751 ( 0.000 -0.825 0.000) 0.825 18.124 ( 0.000 2.546 0.000) 2.546 18.329 ( 0.000 -12.644 0.000) 12.644 18.499 ( 0.000 -4.746 0.000) 4.746 18.606 ( 0.000 2.177 0.000) 2.177 19.085 ( 0.000 3.804 0.000) 3.804 20.955 ( 0.000 -25.875 0.000) 25.875 22.081 ( 0.000 26.873 0.000) 26.873 24.153 ( 0.000 -4.445 0.000) 4.445 24.876 ( 0.000 1.997 0.000) 1.997 25.594 ( 0.000 -2.300 0.000) 2.300 ======================= Grid point 8 (6/125) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 7.057 24.604 11.967) 28.255 0.845 ( 21.484 17.220 4.013) 27.824 1.269 ( 15.512 31.463 -1.872) 35.129 1.387 ( 5.357 7.259 -0.327) 9.027 1.930 ( 9.573 11.894 -1.724) 15.365 2.279 ( 2.924 -0.056 0.519) 2.970 2.491 ( 1.171 3.229 3.916) 5.209 2.793 ( -2.976 0.717 -2.116) 3.721 2.876 ( 1.930 1.176 -0.612) 2.341 3.378 ( -2.124 -1.738 1.353) 3.060 3.447 ( -5.766 0.770 3.563) 6.821 3.543 ( -2.717 -5.762 1.498) 6.544 3.662 ( -2.075 -6.117 -0.344) 6.468 3.770 ( 4.767 -4.453 -1.862) 6.784 3.928 ( 5.146 -3.204 6.468) 8.865 4.131 ( -3.169 -11.044 0.962) 11.530 4.468 ( 5.500 -1.977 0.651) 5.881 4.544 ( 0.574 -8.679 -2.438) 9.033 4.671 ( -8.026 0.953 0.216) 8.085 4.863 ( 7.497 0.817 -13.380) 15.359 5.239 ( -1.973 -7.507 1.993) 8.013 5.521 ( 7.453 0.225 3.780) 8.360 5.712 ( 0.827 4.059 -5.498) 6.883 5.796 ( 4.490 -0.398 2.351) 5.084 5.923 ( -2.671 11.111 -2.149) 11.627 6.168 ( 4.437 -0.448 20.413) 20.894 6.442 ( 3.369 1.145 5.287) 6.373 6.628 ( 3.144 -3.799 4.471) 6.657 7.519 ( 1.648 -1.433 2.273) 3.153 7.651 ( -1.896 6.270 2.182) 6.905 7.941 ( -6.443 4.417 1.938) 8.049 8.091 ( -3.073 -0.932 -1.382) 3.496 8.208 ( 0.402 11.791 -2.768) 12.118 8.278 ( -5.947 12.382 -10.722) 17.425 8.388 ( 6.035 -4.225 2.979) 7.947 8.518 ( -1.705 -1.428 7.437) 7.762 8.798 ( 4.215 1.482 -2.262) 5.008 9.129 ( -5.773 -0.482 1.463) 5.975 9.416 ( -3.854 -1.559 -3.226) 5.262 9.538 ( -1.380 2.859 1.599) 3.555 9.902 ( 0.418 16.419 1.527) 16.495 9.983 ( 0.996 -4.107 -6.914) 8.104 10.538 ( -15.256 2.622 8.592) 17.705 10.671 ( -5.929 5.732 -2.604) 8.648 10.761 ( 4.523 1.365 -14.955) 15.683 11.075 ( -2.689 -1.931 5.856) 6.727 11.295 ( -0.835 2.685 -2.564) 3.805 11.686 ( 7.074 -7.143 -1.322) 10.140 12.153 ( 21.277 -5.985 -4.949) 22.650 12.571 ( -1.919 -2.175 0.469) 2.939 12.675 ( 5.802 -2.125 -5.834) 8.498 12.907 ( -3.277 -11.609 -0.154) 12.064 13.312 ( -5.350 7.779 -4.111) 10.298 13.465 ( -17.925 19.569 -12.738) 29.436 14.758 ( 13.668 0.468 2.792) 13.959 14.763 ( -11.005 2.679 13.173) 17.373 15.143 ( -0.560 1.236 1.823) 2.272 15.604 ( 6.070 -17.952 -12.084) 22.475 15.897 ( 16.840 -17.744 -3.499) 24.712 16.446 ( -3.466 -0.223 6.951) 7.770 16.594 ( 10.037 -11.676 -7.325) 17.051 16.755 ( -2.333 -1.876 11.623) 12.002 17.925 ( -17.654 0.151 0.195) 17.656 18.261 ( -4.343 4.166 -2.137) 6.386 18.520 ( 4.444 -3.836 -1.327) 6.019 18.597 ( -15.157 16.663 -1.842) 22.601 18.871 ( 3.238 -6.192 5.103) 8.653 21.133 ( 8.425 -21.339 6.614) 23.876 21.938 ( -9.956 30.637 5.764) 32.725 24.336 ( 11.084 -13.663 0.087) 17.594 24.811 ( -5.246 4.210 1.651) 6.926 25.607 ( 1.018 -1.879 -0.511) 2.197 ======================= Grid point 9 (7/125) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 5.544 13.470 12.573) 19.242 1.119 ( 9.155 26.724 1.597) 28.294 1.416 ( 6.475 3.522 -11.698) 13.826 1.755 ( 21.159 1.632 7.089) 22.375 2.124 ( 10.687 15.073 -0.926) 18.501 2.408 ( 10.640 -0.129 3.565) 11.222 2.536 ( 2.228 3.241 1.868) 4.354 2.734 ( -1.282 -0.459 -1.549) 2.063 2.919 ( 2.882 -0.678 -2.289) 3.742 3.303 ( -6.983 3.091 -1.016) 7.704 3.363 ( -4.194 -2.696 4.726) 6.870 3.468 ( -6.247 -2.465 7.305) 9.923 3.608 ( -3.328 -6.090 -2.855) 7.504 3.823 ( 1.968 -4.298 -0.036) 4.727 3.983 ( -0.321 -5.340 2.394) 5.861 4.012 ( -6.864 -5.047 -5.098) 9.928 4.503 ( -1.440 0.081 -6.914) 7.063 4.564 ( 1.050 3.959 11.227) 11.950 4.608 ( 3.433 -5.807 -12.738) 14.414 4.977 ( 7.024 2.521 -4.092) 8.511 5.203 ( -2.731 -8.897 2.019) 9.523 5.597 ( 1.568 7.389 0.849) 7.602 5.700 ( -0.515 3.888 -3.095) 4.996 5.861 ( -1.000 9.768 -0.209) 9.821 5.949 ( 6.375 -1.874 2.999) 7.290 6.304 ( 2.468 -3.503 17.240) 17.764 6.549 ( 5.005 1.242 3.591) 6.284 6.681 ( 0.833 -1.666 1.455) 2.364 7.530 ( -0.680 -6.322 1.318) 6.494 7.631 ( -1.441 3.922 3.765) 5.625 7.868 ( -2.755 -1.736 1.183) 3.465 8.038 ( -1.240 4.211 -3.269) 5.473 8.151 ( -3.074 11.461 -8.541) 14.620 8.191 ( -1.533 13.320 -0.218) 13.410 8.401 ( -4.947 0.233 3.693) 6.178 8.568 ( 5.085 3.711 1.707) 6.522 8.843 ( 2.911 2.620 -1.709) 4.273 9.123 ( 3.229 -4.585 5.077) 7.565 9.371 ( -0.656 -2.497 -1.817) 3.157 9.521 ( -1.992 3.336 4.343) 5.828 9.890 ( -6.259 13.999 11.262) 19.026 10.009 ( 6.519 -4.254 -21.963) 23.302 10.293 ( -10.586 6.853 3.115) 12.990 10.531 ( -8.966 3.611 2.077) 9.886 10.797 ( 4.786 -1.459 -13.596) 14.487 11.065 ( -1.241 -2.800 7.843) 8.420 11.261 ( -1.309 1.701 -4.965) 5.409 11.850 ( 9.615 -9.910 1.958) 13.946 12.353 ( 3.347 -6.102 -5.963) 9.165 12.498 ( -5.558 -2.301 0.476) 6.035 12.683 ( -6.655 -3.320 -4.136) 8.510 12.945 ( 10.596 -5.344 1.452) 11.956 13.167 ( -2.306 14.053 -9.954) 17.375 13.433 ( 8.383 -2.227 2.899) 9.145 14.554 ( -15.172 -0.000 8.640) 17.460 14.998 ( 6.457 -1.427 3.540) 7.501 15.153 ( 2.008 3.025 1.138) 3.805 15.632 ( 7.555 -8.908 -8.377) 14.374 16.040 ( 2.684 -10.516 -12.613) 16.639 16.410 ( -3.479 -1.681 1.156) 4.033 16.717 ( -0.352 1.642 -2.940) 3.386 16.774 ( 4.292 -22.224 12.368) 25.793 17.610 ( -14.845 2.081 2.034) 15.127 18.163 ( -5.683 15.781 0.742) 16.789 18.356 ( -6.939 4.207 -3.863) 8.987 18.615 ( 4.859 -4.176 0.566) 6.432 19.026 ( 6.935 -9.333 4.569) 12.493 21.244 ( 2.522 -11.977 2.977) 12.597 21.820 ( -4.859 25.397 3.926) 26.154 24.482 ( 5.333 -11.985 -0.703) 13.137 24.731 ( -3.948 3.763 2.258) 5.903 25.622 ( 0.765 -1.000 -0.609) 1.399 ======================= Grid point 10 (8/125) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 1.530 7.890 4.747) 9.335 1.244 ( 3.496 24.657 0.779) 24.915 1.481 ( 3.151 2.948 -4.971) 6.582 1.994 ( 4.018 5.649 1.170) 7.030 2.319 ( 8.316 -5.247 -0.392) 9.841 2.501 ( -3.296 -2.365 4.178) 5.823 2.701 ( 12.611 2.957 -0.862) 12.982 2.793 ( 6.566 1.276 -0.301) 6.696 2.957 ( 1.104 -0.969 1.333) 1.984 3.144 ( -7.657 7.862 -0.142) 10.975 3.258 ( -6.837 -0.899 -3.438) 7.705 3.432 ( -0.549 -0.128 12.032) 12.045 3.512 ( -4.387 -2.521 -7.133) 8.746 3.848 ( 0.295 -3.640 2.456) 4.400 3.895 ( -2.763 -4.829 -3.975) 6.838 3.971 ( -0.625 -11.636 -0.327) 11.658 4.477 ( 0.282 4.930 -3.432) 6.014 4.603 ( 0.241 1.403 5.952) 6.120 4.639 ( 2.506 6.229 -6.843) 9.587 5.069 ( 3.281 2.041 -0.976) 3.986 5.158 ( -2.303 -11.215 1.212) 11.513 5.618 ( 0.506 7.812 1.291) 7.934 5.676 ( -0.780 3.677 -1.996) 4.256 5.851 ( 0.002 11.157 -0.351) 11.163 6.055 ( 3.179 -1.540 1.773) 3.952 6.377 ( 0.413 -1.425 7.405) 7.552 6.624 ( 2.067 -2.513 -0.140) 3.257 6.668 ( -1.499 -2.040 0.131) 2.534 7.550 ( 2.694 -1.857 -0.502) 3.310 7.608 ( -2.467 -0.047 2.522) 3.529 7.830 ( -1.472 -7.073 0.875) 7.277 8.010 ( -0.389 4.205 -3.647) 5.579 8.114 ( 1.094 10.730 -2.301) 11.029 8.157 ( -2.243 13.063 0.559) 13.266 8.326 ( -2.968 3.686 1.664) 5.016 8.656 ( 2.865 10.294 0.705) 10.708 8.906 ( 2.931 0.570 -0.484) 3.025 9.209 ( 3.276 -7.705 1.086) 8.442 9.364 ( -0.365 -3.683 0.728) 3.772 9.519 ( 1.512 5.174 3.457) 6.404 9.725 ( -11.359 8.118 3.376) 14.364 10.066 ( 7.277 2.747 -11.452) 13.844 10.198 ( -3.296 4.740 -1.480) 5.960 10.384 ( -6.137 5.378 4.856) 9.496 10.834 ( 2.493 0.103 -5.577) 6.109 11.076 ( -0.372 -3.705 4.635) 5.946 11.221 ( -0.938 0.292 -2.849) 3.014 12.046 ( 10.147 -12.223 2.590) 16.096 12.256 ( -9.338 -9.688 -3.499) 13.904 12.446 ( -0.182 1.481 -0.508) 1.576 12.569 ( -3.263 -5.277 -0.746) 6.250 13.049 ( 0.920 11.156 -1.743) 11.328 13.217 ( 5.194 -1.910 -0.595) 5.566 13.641 ( 10.069 -7.056 0.243) 12.298 14.298 ( -11.918 -1.448 3.632) 12.543 15.045 ( 0.147 -8.327 2.248) 8.627 15.167 ( -0.616 3.508 -1.595) 3.902 15.893 ( 18.749 -1.536 -0.955) 18.836 16.013 ( 0.233 -2.137 -5.811) 6.196 16.245 ( -14.536 -0.747 -0.921) 14.584 16.693 ( -1.195 -1.284 3.714) 4.107 16.892 ( 4.363 -23.549 -0.259) 23.951 17.406 ( -6.920 2.021 1.696) 7.406 18.082 ( -2.554 19.598 0.438) 19.768 18.278 ( -1.346 -2.673 -1.520) 3.357 18.683 ( 1.911 -4.245 0.386) 4.672 19.128 ( 2.502 -9.366 1.575) 9.822 21.276 ( 0.514 -8.166 0.826) 8.224 21.772 ( -1.484 21.789 1.275) 21.877 24.549 ( 2.086 -10.631 -0.638) 10.853 24.681 ( -1.870 3.415 1.282) 4.100 25.631 ( 0.291 -0.536 -0.263) 0.664 ======================= Grid point 14 (9/125) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.000 25.097 0.000) 25.097 1.241 ( 0.000 21.630 0.000) 21.630 1.421 ( 0.000 4.414 0.000) 4.414 1.978 ( 0.000 20.902 0.000) 20.902 1.996 ( 0.000 8.080 0.000) 8.080 2.423 ( 0.000 22.200 0.000) 22.200 2.572 ( 0.000 7.696 0.000) 7.696 2.832 ( 0.000 -3.554 0.000) 3.554 2.881 ( 0.000 0.178 0.000) 0.178 3.329 ( 0.000 -8.795 0.000) 8.795 3.376 ( 0.000 -5.961 0.000) 5.961 3.400 ( 0.000 -9.862 0.000) 9.862 3.564 ( 0.000 -5.993 0.000) 5.993 3.711 ( 0.000 7.984 0.000) 7.984 3.843 ( 0.000 -18.870 0.000) 18.870 3.928 ( 0.000 10.225 0.000) 10.225 4.324 ( 0.000 -12.369 0.000) 12.369 4.433 ( 0.000 2.611 0.000) 2.611 4.729 ( 0.000 -4.558 0.000) 4.558 4.870 ( 0.000 4.889 0.000) 4.889 5.220 ( 0.000 -1.899 0.000) 1.899 5.262 ( 0.000 -1.962 0.000) 1.962 5.804 ( 0.000 4.323 0.000) 4.323 5.809 ( 0.000 2.064 0.000) 2.064 6.143 ( 0.000 5.861 0.000) 5.861 6.235 ( 0.000 9.827 0.000) 9.827 6.438 ( 0.000 1.799 0.000) 1.799 6.448 ( 0.000 -5.310 0.000) 5.310 7.574 ( 0.000 5.627 0.000) 5.627 7.833 ( 0.000 7.728 0.000) 7.728 8.080 ( 0.000 -8.023 0.000) 8.023 8.156 ( 0.000 3.894 0.000) 3.894 8.185 ( 0.000 5.447 0.000) 5.447 8.278 ( 0.000 -2.048 0.000) 2.048 8.480 ( 0.000 -1.332 0.000) 1.332 8.735 ( 0.000 17.780 0.000) 17.780 8.881 ( 0.000 11.476 0.000) 11.476 9.142 ( 0.000 -1.676 0.000) 1.676 9.398 ( 0.000 -9.639 0.000) 9.639 9.575 ( 0.000 -0.892 0.000) 0.892 9.852 ( 0.000 -4.519 0.000) 4.519 9.937 ( 0.000 -1.182 0.000) 1.182 10.727 ( 0.000 3.021 0.000) 3.021 10.936 ( 0.000 11.599 0.000) 11.599 10.959 ( 0.000 9.180 0.000) 9.180 11.120 ( 0.000 -0.236 0.000) 0.236 11.341 ( 0.000 3.491 0.000) 3.491 11.762 ( 0.000 7.696 0.000) 7.696 11.817 ( 0.000 2.525 0.000) 2.525 12.519 ( 0.000 -5.371 0.000) 5.371 12.617 ( 0.000 -0.567 0.000) 0.567 12.691 ( 0.000 -9.166 0.000) 9.166 13.546 ( 0.000 5.615 0.000) 5.615 13.953 ( 0.000 0.488 0.000) 0.488 14.556 ( 0.000 -1.520 0.000) 1.520 14.939 ( 0.000 -7.030 0.000) 7.030 14.992 ( 0.000 3.659 0.000) 3.659 15.362 ( 0.000 4.792 0.000) 4.792 15.609 ( 0.000 -7.785 0.000) 7.785 16.287 ( 0.000 -11.773 0.000) 11.773 16.478 ( 0.000 -0.742 0.000) 0.742 16.659 ( 0.000 -8.558 0.000) 8.558 18.048 ( 0.000 -13.618 0.000) 13.618 18.171 ( 0.000 0.310 0.000) 0.310 18.404 ( 0.000 -2.502 0.000) 2.502 18.635 ( 0.000 1.046 0.000) 1.046 19.181 ( 0.000 5.637 0.000) 5.637 20.489 ( 0.000 -20.662 0.000) 20.662 22.574 ( 0.000 22.106 0.000) 22.106 24.024 ( 0.000 -8.271 0.000) 8.271 24.935 ( 0.000 3.832 0.000) 3.832 25.526 ( 0.000 -4.481 0.000) 4.481 ======================= Grid point 15 (10/125) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 15.244 17.735 0.916) 23.404 1.251 ( -0.343 18.867 10.056) 21.382 1.445 ( 4.112 5.209 -8.289) 10.618 1.908 ( 0.454 17.752 -4.614) 18.347 2.201 ( 12.044 5.469 4.550) 13.988 2.400 ( -0.306 20.145 -3.500) 20.449 2.600 ( 0.701 7.572 2.118) 7.894 2.778 ( -2.740 -0.874 -1.093) 3.076 2.902 ( 0.710 0.103 1.231) 1.425 3.304 ( -1.372 -9.155 -5.567) 10.803 3.377 ( -3.007 -6.450 9.458) 11.836 3.403 ( 2.739 -4.068 -4.833) 6.886 3.522 ( -3.665 -6.820 -1.898) 7.972 3.744 ( -0.531 -3.947 -0.925) 4.088 3.862 ( 5.107 -2.221 5.701) 7.970 4.001 ( 2.136 3.192 4.509) 5.923 4.330 ( 1.489 -11.523 -5.599) 12.897 4.490 ( 3.910 2.677 6.452) 8.005 4.650 ( -3.803 -2.726 -3.840) 6.053 4.905 ( 4.891 3.341 -4.281) 7.308 5.167 ( -2.103 -0.230 -0.766) 2.250 5.432 ( 10.603 -6.444 8.091) 14.812 5.810 ( 1.410 4.409 -5.172) 6.941 5.823 ( 1.017 2.816 1.763) 3.475 6.118 ( -1.394 7.462 -3.016) 8.168 6.239 ( -0.334 5.985 5.295) 7.998 6.459 ( 4.427 1.002 -1.389) 4.747 6.537 ( 4.445 -4.707 6.745) 9.349 7.543 ( -3.754 3.343 -0.550) 5.056 7.782 ( -4.733 5.444 1.581) 7.385 7.946 ( -8.302 -3.701 2.069) 9.322 8.141 ( 0.891 4.275 -5.274) 6.847 8.282 ( 7.351 -0.518 -2.246) 7.704 8.383 ( 2.678 0.795 5.875) 6.505 8.479 ( 1.817 3.757 -3.559) 5.485 8.639 ( -5.378 15.670 -0.003) 16.567 8.911 ( 0.661 7.503 -0.031) 7.533 9.153 ( -0.682 5.012 2.007) 5.442 9.332 ( -2.936 -6.377 -0.209) 7.023 9.584 ( -0.777 0.641 -0.146) 1.018 9.820 ( -0.469 -10.556 0.645) 10.586 10.063 ( 10.681 2.188 -4.895) 11.951 10.636 ( -12.553 5.700 7.692) 15.787 10.823 ( -10.112 10.625 -10.225) 17.880 10.932 ( -0.061 12.208 -1.732) 12.330 11.050 ( -4.566 -0.684 7.366) 8.693 11.312 ( -1.961 1.458 -3.605) 4.355 11.671 ( 1.789 2.683 -2.114) 3.856 12.137 ( 16.831 2.511 0.914) 17.042 12.483 ( -3.395 -6.503 -0.688) 7.368 12.633 ( 5.238 -2.157 -4.983) 7.544 12.704 ( -2.104 -7.722 -0.060) 8.003 13.367 ( -11.787 0.407 4.447) 12.604 13.741 ( -15.343 8.521 -9.468) 19.941 14.718 ( -4.550 -4.653 5.134) 8.289 14.847 ( 10.501 4.553 6.716) 13.270 15.070 ( -1.081 -8.503 1.061) 8.637 15.403 ( 4.862 0.108 -10.078) 11.190 15.681 ( 8.296 -7.455 -1.046) 11.202 16.353 ( 4.343 -11.050 7.002) 13.784 16.443 ( -2.497 -1.478 -2.121) 3.594 16.692 ( 2.764 -6.221 -2.238) 7.166 17.855 ( -13.988 -5.805 1.146) 15.188 18.257 ( 3.823 -2.386 -4.809) 6.590 18.399 ( 1.045 -5.771 -1.835) 6.145 18.728 ( 5.978 -2.396 8.886) 10.975 18.932 ( -18.712 11.485 -3.512) 22.235 20.692 ( 14.389 -21.433 4.916) 26.279 22.492 ( -7.589 24.133 1.029) 25.319 24.099 ( 6.588 -11.160 -0.225) 12.962 24.897 ( -3.814 4.755 1.406) 6.256 25.542 ( 1.569 -4.484 -0.364) 4.765 ======================= Grid point 16 (11/125) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -0.530 13.401 6.409) 14.864 1.492 ( 11.659 8.907 -1.952) 14.802 1.507 ( 7.210 8.348 -2.805) 11.382 1.957 ( 5.343 14.550 -0.573) 15.510 2.318 ( -0.062 0.286 -0.797) 0.849 2.484 ( 4.075 4.936 2.963) 7.054 2.595 ( 4.898 5.514 -6.515) 9.841 2.787 ( 2.528 8.123 2.098) 8.762 2.899 ( -1.174 -2.649 -0.389) 2.924 3.260 ( -0.799 -6.643 -4.324) 7.966 3.351 ( -1.912 -1.887 2.798) 3.879 3.411 ( -3.966 -3.225 5.067) 7.197 3.476 ( 2.251 -4.156 -3.108) 5.657 3.747 ( 0.664 -3.300 3.679) 4.987 3.906 ( -4.668 0.196 0.681) 4.722 3.986 ( -2.449 2.997 -0.831) 3.959 4.330 ( 0.445 -11.057 -4.565) 11.971 4.571 ( 5.031 -1.668 -1.236) 5.442 4.691 ( 6.005 6.459 4.695) 9.991 5.015 ( 7.311 1.397 -2.993) 8.023 5.118 ( -3.156 0.377 -0.463) 3.212 5.645 ( 7.302 -5.348 9.950) 13.451 5.811 ( 0.952 5.844 -6.801) 9.017 5.854 ( 1.617 0.458 2.131) 2.714 6.092 ( 0.372 8.643 -3.821) 9.458 6.280 ( 1.991 1.251 8.760) 9.071 6.541 ( 2.566 -1.093 1.838) 3.340 6.623 ( 2.519 -3.892 0.952) 4.733 7.446 ( -4.198 -1.650 -0.371) 4.526 7.708 ( -4.384 3.243 0.860) 5.521 7.830 ( -4.116 -2.602 4.034) 6.323 8.167 ( 2.286 7.128 -4.552) 8.761 8.297 ( -6.126 0.956 -2.673) 6.752 8.412 ( 4.282 3.456 -5.017) 7.447 8.478 ( -0.828 7.241 2.329) 7.651 8.694 ( 7.506 13.292 3.199) 15.597 8.901 ( -0.230 3.148 -2.865) 4.262 9.116 ( -3.664 4.576 8.886) 10.645 9.319 ( -0.665 -2.007 -0.772) 2.251 9.578 ( 1.725 0.823 1.097) 2.204 9.846 ( 4.879 -8.254 -10.430) 14.167 10.206 ( -2.582 11.539 4.565) 12.675 10.387 ( -5.576 2.400 0.151) 6.073 10.627 ( -8.668 8.528 -5.823) 13.483 10.911 ( -1.425 10.262 -2.730) 10.714 11.031 ( -0.912 0.291 8.875) 8.927 11.244 ( -3.729 -1.538 -4.266) 5.872 11.745 ( 5.770 -1.462 -2.966) 6.651 12.261 ( -5.060 -3.262 -2.527) 6.529 12.447 ( 0.864 -2.477 2.639) 3.721 12.565 ( -9.561 -8.197 -0.048) 12.594 12.843 ( 17.456 -2.595 -2.696) 17.853 13.305 ( 1.559 -3.284 2.997) 4.711 13.468 ( -8.678 8.419 -5.073) 13.112 14.480 ( -16.710 -8.693 5.169) 19.533 14.925 ( -6.801 -7.286 0.624) 9.987 15.215 ( 9.178 3.394 2.925) 10.214 15.499 ( 14.183 -1.540 -6.647) 15.739 15.846 ( 8.451 -7.429 -4.610) 12.160 16.382 ( -3.381 -2.570 -4.087) 5.894 16.452 ( 2.065 -10.213 11.928) 15.838 16.710 ( 0.220 -2.765 -5.577) 6.229 17.611 ( -11.510 -0.692 1.018) 11.576 18.245 ( -2.167 -0.466 -2.338) 3.221 18.448 ( 2.968 -11.097 -1.256) 11.555 18.602 ( -11.831 9.814 -1.339) 15.430 18.888 ( 5.628 -0.330 6.404) 8.532 20.924 ( 8.104 -19.048 3.150) 20.938 22.352 ( -6.827 25.391 0.952) 26.310 24.216 ( 5.297 -13.954 -0.498) 14.934 24.828 ( -3.700 5.880 1.803) 7.177 25.571 ( 1.446 -4.163 -0.415) 4.427 ======================= Grid point 17 (12/125) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -0.237 10.775 2.245) 11.009 1.548 ( 1.975 3.222 -2.977) 4.811 1.678 ( 4.422 15.889 0.659) 16.506 2.058 ( 3.396 2.694 0.971) 4.442 2.318 ( 0.849 2.398 -0.459) 2.585 2.457 ( -2.713 -1.163 1.458) 3.292 2.743 ( 6.913 0.996 -4.982) 8.579 2.834 ( 2.729 -0.237 -4.321) 5.116 2.873 ( -2.591 -1.337 5.294) 6.044 3.247 ( 0.098 -2.709 -0.166) 2.716 3.330 ( -0.557 7.165 -1.029) 7.260 3.366 ( -1.830 -6.865 3.735) 8.027 3.522 ( 2.497 3.725 -1.291) 4.666 3.745 ( -5.568 -4.775 2.846) 7.868 3.817 ( 1.871 -0.597 1.344) 2.380 3.923 ( -3.489 6.288 -3.658) 8.068 4.320 ( -0.007 -11.131 -1.801) 11.276 4.678 ( 4.678 -3.520 0.618) 5.887 4.799 ( 3.080 10.297 0.682) 10.769 5.056 ( -2.435 2.589 0.518) 3.592 5.112 ( 2.884 1.201 -1.254) 3.366 5.753 ( 1.086 4.086 8.201) 9.226 5.796 ( 0.269 6.351 -7.139) 9.559 5.898 ( 1.636 -5.698 1.558) 6.130 6.109 ( 1.905 7.710 -1.604) 8.102 6.355 ( 2.227 -0.287 5.050) 5.527 6.554 ( -0.744 -3.645 1.070) 3.871 6.616 ( -2.144 -2.637 -1.992) 3.939 7.454 ( 4.932 -4.403 0.812) 6.661 7.589 ( -7.662 -1.965 -0.799) 7.950 7.842 ( 2.063 2.743 4.868) 5.956 8.085 ( -5.725 2.392 -4.994) 7.964 8.280 ( 3.103 5.838 -1.793) 6.850 8.420 ( -0.869 7.463 -1.129) 7.598 8.491 ( 0.076 12.599 1.386) 12.676 8.826 ( 4.674 8.690 -0.217) 9.870 8.900 ( 0.577 -1.386 -0.852) 1.727 9.109 ( -0.477 1.365 5.533) 5.719 9.275 ( -2.269 -5.018 -1.262) 5.650 9.650 ( 3.050 6.955 4.156) 8.657 9.926 ( 7.709 -7.509 -14.939) 18.411 10.005 ( -11.106 15.131 7.723) 20.296 10.447 ( -5.491 4.612 -3.225) 7.863 10.474 ( 3.189 9.965 2.114) 10.674 10.877 ( -0.997 3.460 -1.052) 3.751 11.057 ( 0.385 4.463 4.807) 6.570 11.162 ( -2.645 -4.950 -2.754) 6.252 11.851 ( 6.338 -5.858 -2.380) 8.953 12.082 ( -9.531 -7.726 -0.035) 12.269 12.432 ( -2.951 -7.727 -1.240) 8.364 12.489 ( 0.637 2.218 2.286) 3.248 13.125 ( 9.254 0.075 -0.078) 9.255 13.278 ( -2.380 4.693 -2.634) 5.885 13.473 ( 5.672 -7.879 1.666) 9.850 14.197 ( -12.016 -9.514 1.640) 15.414 14.823 ( -3.164 -13.313 0.452) 13.691 15.258 ( -0.241 5.199 -1.538) 5.427 15.842 ( 15.156 -3.973 1.272) 15.720 15.954 ( 7.054 -1.998 -3.028) 7.933 16.240 ( -11.066 0.059 -1.971) 11.240 16.527 ( 1.706 -10.980 8.976) 14.284 16.669 ( -1.263 -2.167 -7.145) 7.572 17.457 ( -4.693 3.026 0.870) 5.652 18.204 ( -1.108 -2.823 -0.823) 3.142 18.405 ( -3.668 7.020 -0.604) 7.943 18.537 ( 1.084 -7.992 -0.016) 8.065 18.980 ( 2.117 -2.042 2.305) 3.737 21.025 ( 2.259 -16.764 0.964) 16.943 22.264 ( -2.541 25.105 0.339) 25.235 24.282 ( 1.846 -14.977 -0.296) 15.093 24.783 ( -1.443 6.499 0.840) 6.710 25.589 ( 0.551 -3.828 -0.175) 3.871 ======================= Grid point 21 (13/125) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 0.000 20.564 0.000) 20.564 1.518 ( 0.000 5.056 0.000) 5.056 1.560 ( 0.000 11.787 0.000) 11.787 2.120 ( 0.000 1.334 0.000) 1.334 2.148 ( 0.000 7.250 0.000) 7.250 2.714 ( 0.000 -2.669 0.000) 2.669 2.720 ( 0.000 -6.841 0.000) 6.841 2.780 ( 0.000 8.106 0.000) 8.106 2.900 ( 0.000 2.182 0.000) 2.182 3.187 ( 0.000 -0.006 0.000) 0.006 3.191 ( 0.000 -9.358 0.000) 9.358 3.356 ( 0.000 -1.041 0.000) 1.041 3.402 ( 0.000 -18.771 0.000) 18.771 3.637 ( 0.000 14.454 0.000) 14.454 3.865 ( 0.000 3.109 0.000) 3.109 4.075 ( 0.000 -8.550 0.000) 8.550 4.167 ( 0.000 11.569 0.000) 11.569 4.494 ( 0.000 2.508 0.000) 2.508 4.658 ( 0.000 -2.402 0.000) 2.402 4.909 ( 0.000 -1.938 0.000) 1.938 5.217 ( 0.000 1.962 0.000) 1.962 5.250 ( 0.000 0.345 0.000) 0.345 5.852 ( 0.000 2.911 0.000) 2.911 5.891 ( 0.000 4.462 0.000) 4.462 6.208 ( 0.000 0.423 0.000) 0.423 6.314 ( 0.000 -4.457 0.000) 4.457 6.449 ( 0.000 6.416 0.000) 6.416 6.477 ( 0.000 1.974 0.000) 1.974 7.675 ( 0.000 3.304 0.000) 3.304 7.894 ( 0.000 -7.119 0.000) 7.119 7.979 ( 0.000 4.382 0.000) 4.382 8.133 ( 0.000 -3.208 0.000) 3.208 8.335 ( 0.000 8.619 0.000) 8.619 8.345 ( 0.000 7.513 0.000) 7.513 8.493 ( 0.000 3.189 0.000) 3.189 8.950 ( 0.000 0.550 0.000) 0.550 9.060 ( 0.000 3.984 0.000) 3.984 9.154 ( 0.000 -10.549 0.000) 10.549 9.233 ( 0.000 9.633 0.000) 9.633 9.560 ( 0.000 0.946 0.000) 0.946 9.743 ( 0.000 -6.345 0.000) 6.345 9.893 ( 0.000 -3.906 0.000) 3.906 10.802 ( 0.000 4.534 0.000) 4.534 11.096 ( 0.000 -1.460 0.000) 1.460 11.155 ( 0.000 8.428 0.000) 8.428 11.163 ( 0.000 10.021 0.000) 10.021 11.472 ( 0.000 9.052 0.000) 9.052 11.883 ( 0.000 3.014 0.000) 3.014 11.908 ( 0.000 7.005 0.000) 7.005 12.400 ( 0.000 -4.764 0.000) 4.764 12.549 ( 0.000 -5.766 0.000) 5.766 12.607 ( 0.000 -0.910 0.000) 0.910 13.636 ( 0.000 3.897 0.000) 3.897 13.929 ( 0.000 -2.964 0.000) 2.964 14.554 ( 0.000 1.413 0.000) 1.413 14.797 ( 0.000 -6.711 0.000) 6.711 15.067 ( 0.000 4.273 0.000) 4.273 15.449 ( 0.000 3.068 0.000) 3.068 15.493 ( 0.000 -3.103 0.000) 3.103 16.004 ( 0.000 -17.331 0.000) 17.331 16.448 ( 0.000 -2.243 0.000) 2.243 16.452 ( 0.000 -9.296 0.000) 9.296 17.847 ( 0.000 -5.582 0.000) 5.582 18.080 ( 0.000 -7.821 0.000) 7.821 18.458 ( 0.000 6.131 0.000) 6.131 18.651 ( 0.000 0.451 0.000) 0.451 19.312 ( 0.000 7.663 0.000) 7.663 20.109 ( 0.000 -17.521 0.000) 17.521 22.972 ( 0.000 17.757 0.000) 17.757 23.827 ( 0.000 -11.151 0.000) 11.151 25.029 ( 0.000 5.403 0.000) 5.403 25.418 ( 0.000 -6.141 0.000) 6.141 ======================= Grid point 22 (14/125) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -0.569 9.081 0.892) 9.143 1.541 ( 4.236 10.792 -1.172) 11.652 1.598 ( 4.637 13.766 1.054) 14.564 2.128 ( 3.217 6.413 -1.921) 7.427 2.230 ( 5.030 1.078 -0.004) 5.144 2.604 ( -7.326 -1.510 -1.305) 7.592 2.736 ( 0.906 5.616 -12.675) 13.892 2.786 ( 0.797 -6.485 6.740) 9.386 2.912 ( -0.192 2.992 2.327) 3.795 3.135 ( -1.764 -6.951 -2.781) 7.692 3.246 ( 2.271 -2.143 2.079) 3.751 3.359 ( -2.077 -8.037 2.842) 8.774 3.410 ( 2.714 -8.847 -2.815) 9.673 3.657 ( 2.713 13.609 0.541) 13.887 3.909 ( 3.645 -1.254 -1.228) 4.046 4.121 ( 3.820 -4.382 0.871) 5.878 4.177 ( -0.801 10.012 5.269) 11.342 4.565 ( -4.339 1.137 -2.961) 5.374 4.590 ( 7.581 -0.089 1.519) 7.732 4.941 ( 3.435 -0.957 -2.769) 4.514 5.203 ( -1.060 3.023 -0.178) 3.208 5.320 ( 5.367 -3.887 4.608) 8.071 5.870 ( 1.239 3.378 2.755) 4.531 5.910 ( 2.225 4.561 -2.880) 5.836 6.204 ( 0.204 1.317 -3.489) 3.735 6.337 ( 0.690 -0.663 3.455) 3.585 6.460 ( 2.029 0.776 0.742) 2.295 6.497 ( 1.499 1.602 1.633) 2.736 7.621 ( -6.667 3.594 -1.407) 7.703 7.787 ( -5.797 -5.644 0.990) 8.151 7.916 ( -6.202 3.689 0.372) 7.225 8.205 ( 5.767 0.032 -6.441) 8.646 8.321 ( 1.053 5.186 0.030) 5.292 8.401 ( 0.168 2.647 3.994) 4.795 8.550 ( 5.842 3.530 -5.107) 8.525 8.912 ( -6.237 7.775 0.567) 9.983 8.979 ( 2.354 0.468 -1.774) 2.984 9.174 ( -2.078 -7.102 9.838) 12.311 9.368 ( 8.607 11.793 0.691) 14.617 9.562 ( -3.741 -1.866 -2.858) 5.064 9.628 ( 0.274 -6.437 -3.563) 7.362 10.053 ( 11.024 -2.995 -2.664) 11.730 10.747 ( -7.867 5.501 6.785) 11.755 11.000 ( -10.785 1.265 4.932) 11.927 11.081 ( -5.306 7.690 -2.049) 9.565 11.164 ( 0.093 9.086 -1.390) 9.192 11.409 ( -4.682 8.070 -4.331) 10.286 11.729 ( -2.383 2.688 -2.484) 4.368 12.206 ( 14.713 2.329 4.331) 15.513 12.367 ( -4.187 -2.454 -0.915) 4.939 12.543 ( -0.669 -5.939 -1.229) 6.102 12.623 ( 2.816 -2.033 -3.898) 5.221 13.390 ( -16.455 3.190 5.099) 17.520 13.831 ( -9.747 0.375 -3.669) 10.422 14.581 ( -16.247 -7.630 1.074) 17.982 14.778 ( 6.952 -10.875 2.997) 13.251 15.073 ( 5.742 9.593 0.374) 11.186 15.451 ( 2.578 2.154 -4.889) 5.932 15.595 ( 8.619 -0.895 -2.023) 8.898 16.116 ( 8.687 -13.310 3.383) 16.250 16.398 ( -2.574 -3.026 2.781) 4.849 16.524 ( 5.172 -8.446 -4.234) 10.771 17.757 ( -7.881 -2.555 0.220) 8.287 18.102 ( 2.788 -10.521 -5.763) 12.316 18.411 ( -4.613 4.660 -0.183) 6.560 18.678 ( -0.531 -2.623 6.605) 7.127 19.183 ( -8.395 13.785 -1.712) 16.230 20.276 ( 12.628 -20.235 3.956) 24.178 22.922 ( -4.741 19.178 -0.194) 19.756 23.862 ( 3.273 -12.638 -0.242) 13.057 25.006 ( -2.259 6.160 0.807) 6.611 25.431 ( 1.325 -6.443 -0.209) 6.581 ======================= Grid point 23 (15/125) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -1.123 8.839 2.015) 9.135 1.588 ( 2.055 4.143 -2.881) 5.449 1.753 ( 9.189 12.799 1.599) 15.836 2.209 ( 2.146 10.198 -2.067) 10.624 2.261 ( 1.243 -4.196 -1.086) 4.510 2.506 ( -2.863 1.271 2.843) 4.231 2.720 ( -0.974 1.330 -5.871) 6.098 2.760 ( 0.492 -4.823 -9.136) 10.342 2.961 ( 2.566 1.286 7.334) 7.876 3.109 ( -0.391 -7.148 -1.102) 7.243 3.255 ( -3.238 -4.390 -1.648) 5.699 3.330 ( 0.443 -3.450 3.644) 5.038 3.468 ( 4.795 -4.158 -4.812) 7.965 3.758 ( 7.019 10.105 2.191) 12.497 3.943 ( -0.694 -2.446 -1.732) 3.077 4.094 ( -7.196 6.293 2.067) 9.780 4.200 ( 1.537 2.453 1.147) 3.114 4.519 ( 2.006 -3.522 -0.322) 4.066 4.815 ( 11.369 5.713 5.663) 13.927 5.019 ( 6.204 -0.394 -3.885) 7.331 5.176 ( -1.285 3.477 -1.115) 3.871 5.458 ( 6.733 -10.081 6.432) 13.724 5.904 ( 0.731 4.956 2.094) 5.430 5.944 ( 2.421 5.361 -2.761) 6.498 6.197 ( 1.051 1.748 -5.306) 5.684 6.349 ( -0.700 3.064 6.362) 7.096 6.490 ( -0.985 -3.580 5.385) 6.541 6.566 ( 5.349 -0.935 -3.735) 6.591 7.456 ( -7.371 2.502 -2.133) 8.071 7.731 ( -4.302 -5.907 3.171) 7.966 7.784 ( -5.066 3.916 0.469) 6.421 8.262 ( -6.048 -4.866 -3.177) 8.388 8.298 ( 3.021 6.231 -4.421) 8.216 8.430 ( 4.699 0.115 -0.597) 4.738 8.596 ( 2.940 5.933 -7.425) 9.948 8.887 ( -0.295 2.867 1.499) 3.249 9.025 ( 2.027 5.756 3.735) 7.155 9.163 ( -2.967 -1.994 11.039) 11.604 9.401 ( -4.913 10.465 -1.640) 11.676 9.564 ( 9.720 1.528 -4.704) 10.906 9.731 ( 8.152 -3.493 -4.337) 9.873 10.228 ( 8.814 -5.185 -6.126) 11.920 10.532 ( -16.179 9.553 7.562) 20.253 10.842 ( -6.642 9.216 5.183) 12.487 10.980 ( -5.353 0.631 3.407) 6.377 11.146 ( -2.668 4.780 -1.067) 5.577 11.311 ( -2.898 9.371 -4.122) 10.640 11.713 ( 1.223 -2.821 -4.681) 5.601 12.212 ( -11.637 -1.771 -1.759) 11.902 12.385 ( -6.187 -6.091 5.663) 10.365 12.458 ( 3.538 1.862 -0.414) 4.020 12.811 ( 17.420 -2.032 -2.775) 17.757 13.253 ( -1.470 0.629 6.078) 6.284 13.616 ( -10.314 5.293 -4.409) 12.403 14.240 ( -18.447 -12.792 1.411) 22.493 14.669 ( -11.711 -17.155 -0.106) 20.771 15.323 ( 8.449 6.852 0.120) 10.879 15.541 ( 11.570 2.821 -2.925) 12.263 15.772 ( 11.217 1.107 -1.940) 11.437 16.253 ( 3.376 -6.402 1.790) 7.456 16.377 ( -0.917 -1.595 4.536) 4.895 16.600 ( 4.002 -7.910 -5.354) 10.356 17.611 ( -6.733 1.225 -0.685) 6.878 18.131 ( 2.113 -13.561 -3.894) 14.266 18.303 ( -6.168 1.445 -0.244) 6.340 18.620 ( -6.819 -4.496 3.853) 9.031 19.111 ( 0.335 18.356 1.692) 18.437 20.499 ( 8.741 -22.911 3.065) 24.713 22.822 ( -5.145 21.655 -0.310) 22.259 23.924 ( 2.997 -15.239 -0.361) 15.535 24.964 ( -2.327 7.572 1.001) 7.984 25.458 ( 1.397 -6.942 -0.208) 7.084 ======================= Grid point 24 (16/125) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -0.531 9.101 0.816) 9.153 1.606 ( 0.720 2.690 -1.014) 2.964 1.902 ( 5.473 8.310 0.492) 9.963 2.123 ( -4.721 2.195 -1.625) 5.454 2.374 ( 6.102 4.258 -0.088) 7.441 2.466 ( -3.281 1.876 2.664) 4.624 2.647 ( -1.979 -6.794 -1.689) 7.275 2.822 ( 6.087 1.657 -7.384) 9.712 2.979 ( -3.484 2.179 3.835) 5.621 3.094 ( -0.787 -7.155 -0.457) 7.213 3.195 ( -1.156 -9.373 0.746) 9.473 3.365 ( 0.872 -3.000 2.016) 3.718 3.579 ( 9.458 0.491 -6.385) 11.421 3.795 ( -10.052 5.793 1.656) 11.720 3.917 ( 4.489 9.965 3.948) 11.621 4.023 ( -0.909 -0.228 -2.144) 2.340 4.195 ( -1.537 3.203 0.243) 3.561 4.572 ( 1.997 -5.744 0.863) 6.142 4.977 ( 3.581 7.364 1.844) 8.394 5.117 ( 4.323 1.225 -1.316) 4.682 5.160 ( -0.410 4.214 -0.411) 4.254 5.593 ( 4.340 -14.183 3.814) 15.315 5.904 ( -0.558 6.635 -0.618) 6.687 5.971 ( 0.715 6.748 -0.018) 6.786 6.212 ( 2.037 1.267 -3.516) 4.257 6.354 ( -1.307 -1.680 3.829) 4.380 6.504 ( 1.822 0.197 4.901) 5.232 6.591 ( -1.617 0.290 -4.613) 4.897 7.402 ( 2.243 -0.211 0.115) 2.255 7.576 ( -8.431 -0.354 -1.095) 8.509 7.820 ( 4.337 -3.821 4.960) 7.616 8.057 ( -9.461 -5.833 -5.111) 12.233 8.371 ( 3.248 3.931 -2.131) 5.527 8.522 ( 3.601 -1.137 -0.563) 3.818 8.631 ( 1.923 10.411 -2.192) 10.811 8.864 ( -1.346 -0.530 0.081) 1.449 9.064 ( 0.617 3.403 3.031) 4.599 9.147 ( -1.427 -3.799 4.311) 5.921 9.309 ( -3.148 17.684 -2.913) 18.197 9.757 ( 8.418 2.825 0.644) 8.903 9.838 ( 3.898 -0.108 -3.805) 5.448 10.276 ( -4.474 -1.357 -3.552) 5.872 10.340 ( -1.276 4.981 1.510) 5.359 10.784 ( -1.579 13.473 6.535) 15.057 10.904 ( -3.751 -0.812 -0.221) 3.844 11.061 ( -3.519 -2.374 0.838) 4.327 11.293 ( 0.660 13.563 -1.369) 13.648 11.760 ( 5.839 -4.588 -4.062) 8.465 11.967 ( -11.980 -3.158 0.839) 12.417 12.244 ( -4.729 -9.935 0.042) 11.003 12.582 ( 4.393 7.132 2.500) 8.742 13.128 ( 12.935 -2.986 -0.097) 13.275 13.273 ( 0.285 0.126 1.961) 1.985 13.455 ( -4.170 5.257 -2.220) 7.068 13.941 ( -11.866 -14.188 0.320) 18.499 14.493 ( -5.250 -19.849 -0.173) 20.532 15.365 ( 0.216 5.285 -1.541) 5.509 15.725 ( 4.971 -6.956 -0.087) 8.550 16.007 ( 11.692 7.430 -0.470) 13.862 16.248 ( -3.246 0.905 0.334) 3.386 16.399 ( 0.828 -3.279 3.904) 5.165 16.611 ( -0.429 -4.049 -4.043) 5.737 17.521 ( -2.420 3.374 -0.316) 4.164 18.155 ( 1.573 -9.437 -0.863) 9.606 18.204 ( -3.662 -6.854 -0.436) 7.784 18.521 ( -3.372 -3.246 1.104) 4.809 19.141 ( 1.061 17.089 1.204) 17.164 20.614 ( 2.760 -23.653 1.054) 23.837 22.749 ( -2.114 23.167 -0.158) 23.264 23.962 ( 1.061 -16.863 -0.182) 16.898 24.935 ( -0.897 8.507 0.450) 8.566 25.477 ( 0.564 -7.230 -0.080) 7.252 ======================= Grid point 28 (17/125) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.000 3.657 0.000) 3.657 1.641 ( 0.000 1.333 0.000) 1.333 1.897 ( 0.000 16.207 0.000) 16.207 2.100 ( 0.000 -4.157 0.000) 4.157 2.298 ( 0.000 8.020 0.000) 8.020 2.494 ( 0.000 -11.670 0.000) 11.670 2.677 ( 0.000 1.818 0.000) 1.818 2.804 ( 0.000 -8.765 0.000) 8.765 2.947 ( 0.000 5.511 0.000) 5.511 3.073 ( 0.000 -10.685 0.000) 10.685 3.089 ( 0.000 0.965 0.000) 0.965 3.173 ( 0.000 -4.146 0.000) 4.146 3.425 ( 0.000 9.439 0.000) 9.439 3.677 ( 0.000 -14.227 0.000) 14.227 4.016 ( 0.000 14.860 0.000) 14.860 4.115 ( 0.000 3.695 0.000) 3.695 4.349 ( 0.000 6.570 0.000) 6.570 4.465 ( 0.000 -5.060 0.000) 5.060 4.684 ( 0.000 4.903 0.000) 4.903 4.811 ( 0.000 -6.724 0.000) 6.724 5.259 ( 0.000 1.167 0.000) 1.167 5.261 ( 0.000 0.524 0.000) 0.524 5.945 ( 0.000 5.749 0.000) 5.749 5.981 ( 0.000 3.544 0.000) 3.544 6.167 ( 0.000 -3.118 0.000) 3.118 6.199 ( 0.000 -5.755 0.000) 5.755 6.517 ( 0.000 1.881 0.000) 1.881 6.532 ( 0.000 1.199 0.000) 1.199 7.706 ( 0.000 1.027 0.000) 1.027 7.761 ( 0.000 -4.874 0.000) 4.874 8.069 ( 0.000 3.262 0.000) 3.262 8.101 ( 0.000 -0.547 0.000) 0.547 8.483 ( 0.000 5.076 0.000) 5.076 8.501 ( 0.000 4.494 0.000) 4.494 8.603 ( 0.000 9.160 0.000) 9.160 8.835 ( 0.000 -11.382 0.000) 11.382 8.995 ( 0.000 -1.434 0.000) 1.434 9.039 ( 0.000 -3.905 0.000) 3.905 9.456 ( 0.000 9.398 0.000) 9.398 9.609 ( 0.000 -6.314 0.000) 6.314 9.638 ( 0.000 5.664 0.000) 5.664 9.777 ( 0.000 -7.129 0.000) 7.129 10.910 ( 0.000 6.037 0.000) 6.037 11.026 ( 0.000 -5.014 0.000) 5.014 11.293 ( 0.000 4.262 0.000) 4.262 11.304 ( 0.000 3.407 0.000) 3.407 11.672 ( 0.000 10.071 0.000) 10.071 11.845 ( 0.000 -6.296 0.000) 6.296 12.094 ( 0.000 10.760 0.000) 10.760 12.296 ( 0.000 -8.053 0.000) 8.053 12.499 ( 0.000 2.032 0.000) 2.032 12.567 ( 0.000 -3.202 0.000) 3.202 13.724 ( 0.000 5.152 0.000) 5.152 13.838 ( 0.000 -5.714 0.000) 5.714 14.604 ( 0.000 3.213 0.000) 3.213 14.681 ( 0.000 -4.722 0.000) 4.722 15.212 ( 0.000 11.293 0.000) 11.293 15.446 ( 0.000 -5.510 0.000) 5.510 15.487 ( 0.000 2.168 0.000) 2.168 15.626 ( 0.000 -15.980 0.000) 15.980 16.358 ( 0.000 -0.365 0.000) 0.365 16.394 ( 0.000 -2.858 0.000) 2.858 17.820 ( 0.000 2.368 0.000) 2.368 17.921 ( 0.000 -7.115 0.000) 7.115 18.580 ( 0.000 5.003 0.000) 5.003 18.644 ( 0.000 -1.484 0.000) 1.484 19.503 ( 0.000 11.605 0.000) 11.605 19.777 ( 0.000 -15.379 0.000) 15.379 23.299 ( 0.000 15.005 0.000) 15.005 23.582 ( 0.000 -13.177 0.000) 13.177 25.149 ( 0.000 6.519 0.000) 6.519 25.285 ( 0.000 -6.850 0.000) 6.850 ======================= Grid point 29 (18/125) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -0.145 3.750 0.826) 3.843 1.641 ( -0.080 1.138 0.658) 1.317 1.926 ( 2.908 14.362 -0.230) 14.656 2.127 ( 2.347 -5.591 -0.821) 6.119 2.333 ( 3.478 8.181 -1.580) 9.029 2.522 ( 2.065 -9.902 0.227) 10.118 2.649 ( -1.214 4.516 -1.636) 4.954 2.818 ( 0.682 -6.761 -8.154) 10.614 2.923 ( -1.228 2.127 5.191) 5.742 2.987 ( -5.312 -6.126 2.580) 8.509 3.144 ( 2.907 -2.940 -2.294) 4.729 3.208 ( 2.138 -5.066 1.747) 5.770 3.435 ( 1.813 9.661 -2.531) 10.150 3.686 ( 1.752 -13.587 -4.349) 14.373 4.042 ( 2.640 14.859 -1.084) 15.131 4.167 ( 4.601 2.027 -0.433) 5.046 4.342 ( -1.907 6.093 6.370) 9.019 4.464 ( -2.214 -6.515 -1.104) 6.969 4.709 ( 5.858 7.420 1.183) 9.527 4.858 ( 4.948 -6.659 -0.093) 8.296 5.254 ( -0.715 1.879 -0.461) 2.062 5.282 ( 1.333 -0.907 1.365) 2.113 5.966 ( 1.804 5.512 2.306) 6.241 5.997 ( 2.030 3.324 -2.014) 4.385 6.184 ( 1.231 -2.051 -0.700) 2.492 6.228 ( 2.187 -6.547 4.129) 8.044 6.509 ( -0.704 2.127 -0.047) 2.241 6.528 ( 0.116 0.532 -0.497) 0.737 7.668 ( -5.452 1.186 -0.329) 5.589 7.696 ( -4.322 -2.552 0.610) 5.056 8.018 ( -4.424 6.091 -1.043) 7.600 8.142 ( 2.175 -5.383 -1.482) 5.992 8.440 ( -2.024 4.674 -5.207) 7.284 8.474 ( -2.705 2.076 -3.160) 4.649 8.644 ( 5.375 7.640 -7.272) 11.838 8.839 ( 2.267 -9.524 -5.763) 11.360 9.034 ( 1.276 1.728 10.234) 10.457 9.073 ( 0.089 -2.880 12.307) 12.640 9.472 ( 2.921 0.668 -2.106) 3.663 9.500 ( -3.623 -2.586 -2.514) 5.112 9.728 ( 7.680 11.760 -1.972) 14.184 9.939 ( 10.697 -8.395 0.002) 13.598 10.859 ( -6.919 5.566 7.842) 11.847 10.958 ( -8.093 -3.902 7.792) 11.893 11.231 ( -5.492 5.181 -3.323) 8.250 11.269 ( -2.671 1.530 -2.862) 4.203 11.594 ( -6.068 9.176 -4.848) 12.022 11.735 ( -6.146 -3.603 -4.803) 8.593 12.238 ( 7.297 3.861 5.852) 10.119 12.349 ( 2.990 -4.629 4.828) 7.326 12.484 ( -0.484 2.737 -4.569) 5.348 12.567 ( 1.931 -3.866 -4.284) 6.085 13.526 ( -14.485 10.090 4.434) 18.201 13.741 ( -8.984 -9.160 1.723) 12.945 14.486 ( -17.463 -0.435 -1.962) 17.578 14.571 ( -7.965 -8.241 -1.039) 11.507 15.317 ( 10.511 12.914 0.050) 16.651 15.465 ( 3.505 -1.290 -3.279) 4.970 15.616 ( 11.036 2.900 -0.622) 11.428 15.806 ( 16.188 -15.812 2.838) 22.806 16.358 ( -0.206 0.236 1.296) 1.333 16.405 ( 1.359 -3.931 -1.293) 4.355 17.772 ( -4.025 3.928 -2.163) 6.025 17.903 ( -0.997 -8.680 -4.188) 9.689 18.517 ( -6.100 5.345 1.086) 8.182 18.613 ( -4.596 -3.997 3.623) 7.087 19.497 ( 0.487 17.467 0.559) 17.483 19.874 ( 7.592 -19.677 2.545) 21.244 23.278 ( -2.007 16.453 -0.385) 16.580 23.589 ( 0.685 -14.552 -0.299) 14.571 25.142 ( -0.787 7.205 0.314) 7.255 25.290 ( 0.475 -7.397 -0.008) 7.412 ======================= Grid point 30 (19/125) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -0.352 4.003 1.741) 4.379 1.643 ( -0.058 0.822 0.943) 1.252 1.989 ( 3.545 9.854 -0.924) 10.513 2.147 ( -0.152 -6.410 -1.964) 6.705 2.401 ( 3.946 7.960 -0.809) 8.921 2.540 ( -1.017 -4.665 1.106) 4.901 2.628 ( -0.164 5.695 -3.373) 6.621 2.789 ( 1.332 -2.514 -7.722) 8.230 2.904 ( -1.688 -2.171 -0.620) 2.820 2.970 ( 0.642 -7.615 5.649) 9.503 3.164 ( -0.752 -1.000 0.212) 1.269 3.242 ( 0.875 -6.285 0.979) 6.420 3.495 ( 6.536 9.023 -4.558) 12.038 3.719 ( 3.887 -11.634 -5.213) 13.328 4.085 ( 1.752 12.586 -0.974) 12.744 4.206 ( -2.804 1.621 -2.864) 4.324 4.316 ( -1.457 5.973 5.440) 8.209 4.426 ( -0.431 -5.438 3.874) 6.691 4.912 ( 12.455 4.435 3.226) 13.609 4.999 ( 9.424 -2.952 1.122) 9.939 5.227 ( -1.311 2.673 -2.081) 3.632 5.305 ( 0.523 -5.036 2.076) 5.472 6.017 ( 2.286 5.472 0.246) 5.936 6.043 ( 3.529 3.849 -0.485) 5.245 6.191 ( -0.147 -0.703 -2.322) 2.430 6.274 ( -0.741 -7.482 7.553) 10.657 6.508 ( 1.122 3.031 0.680) 3.303 6.551 ( 3.035 -1.200 -1.827) 3.740 7.533 ( -6.709 4.501 -1.830) 8.284 7.622 ( -4.449 -4.579 1.319) 6.519 7.892 ( -8.044 7.364 -1.373) 10.992 8.086 ( -8.308 -11.022 -3.374) 14.209 8.414 ( 2.295 4.369 -5.852) 7.656 8.447 ( 2.617 0.700 -3.466) 4.399 8.734 ( 6.730 7.853 -7.667) 12.874 8.878 ( 2.872 -4.639 -4.365) 6.987 9.051 ( -3.165 0.368 11.400) 11.837 9.093 ( -3.565 -3.659 10.146) 11.359 9.526 ( 8.546 3.870 -1.759) 9.545 9.608 ( 9.447 -3.749 1.590) 10.288 9.834 ( 4.375 14.546 -7.163) 16.794 10.084 ( 4.564 -9.466 -5.787) 11.997 10.712 ( -10.843 8.139 10.156) 16.940 10.849 ( -6.279 -5.153 13.337) 15.615 11.098 ( -6.695 7.271 -1.727) 10.034 11.183 ( -6.600 -0.891 -0.865) 6.716 11.494 ( -0.813 7.500 -5.371) 9.260 11.625 ( -2.222 -5.671 -6.473) 8.888 12.207 ( -10.945 1.760 0.001) 11.086 12.275 ( -11.843 -4.568 1.397) 12.770 12.570 ( 10.515 7.748 1.772) 13.181 12.723 ( 14.284 -6.663 -0.054) 15.762 13.377 ( -2.987 11.160 5.366) 12.738 13.609 ( -4.943 -8.116 1.827) 9.677 14.103 ( -20.629 2.652 -3.032) 21.019 14.315 ( -15.834 -16.019 -2.827) 22.700 15.452 ( 3.152 5.510 -2.683) 6.891 15.537 ( 4.616 -2.778 -2.436) 5.912 15.907 ( 18.266 10.764 1.472) 21.252 16.120 ( 13.291 -8.590 3.657) 16.242 16.361 ( -0.072 0.835 1.359) 1.597 16.435 ( 2.762 -6.762 -2.239) 7.640 17.682 ( -3.928 6.265 -3.074) 8.008 17.864 ( -1.097 -11.653 -4.200) 12.436 18.383 ( -8.046 5.564 1.444) 9.889 18.506 ( -7.294 -6.277 3.402) 10.206 19.534 ( 2.460 23.113 1.503) 23.292 20.018 ( 6.025 -24.546 2.328) 25.382 23.232 ( -2.390 19.297 -0.515) 19.451 23.599 ( 0.429 -17.224 -0.410) 17.234 25.127 ( -0.789 8.565 0.391) 8.610 25.301 ( 0.549 -8.470 0.018) 8.488 ======================= Grid point 31 (20/125) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -0.266 4.347 1.028) 4.475 1.645 ( -0.019 0.575 0.448) 0.729 2.041 ( 2.090 5.433 -0.707) 5.864 2.119 ( -1.471 -2.321 -1.023) 2.932 2.452 ( 1.807 2.362 -1.131) 3.182 2.497 ( -2.716 -1.873 0.656) 3.363 2.638 ( 1.313 9.327 -0.164) 9.421 2.824 ( 3.526 -4.555 -1.959) 6.084 2.880 ( -1.006 -1.833 -2.169) 3.013 2.981 ( -0.664 -10.504 0.516) 10.538 3.131 ( -2.009 4.726 1.777) 5.434 3.253 ( 0.237 -6.920 0.022) 6.924 3.628 ( 7.189 5.487 -2.696) 9.437 3.767 ( 1.295 -6.990 -2.087) 7.409 4.088 ( -2.387 6.399 0.323) 6.837 4.107 ( -2.237 5.323 -0.791) 5.828 4.324 ( -0.234 6.403 2.030) 6.721 4.450 ( 0.877 -6.444 1.670) 6.715 5.099 ( 4.656 5.458 1.968) 7.440 5.165 ( 5.191 2.427 2.516) 6.258 5.209 ( 0.656 0.957 -3.261) 3.461 5.327 ( 1.154 -10.833 1.669) 11.021 6.042 ( 0.890 6.692 -2.033) 7.050 6.100 ( 1.081 5.552 2.347) 6.124 6.174 ( 0.473 -3.404 -3.818) 5.137 6.255 ( -2.791 -6.823 5.239) 9.044 6.560 ( 3.234 3.335 1.655) 4.931 6.599 ( 1.320 -0.358 -1.939) 2.372 7.447 ( -1.083 4.244 -0.806) 4.454 7.537 ( -4.587 -3.773 -0.332) 5.949 7.777 ( -1.902 1.262 1.023) 2.502 7.886 ( -8.650 -8.859 -3.311) 12.817 8.458 ( 2.514 4.043 -2.383) 5.324 8.504 ( 2.719 -0.799 -0.918) 2.979 8.822 ( 4.843 7.407 -5.975) 10.678 8.886 ( -1.473 1.481 1.448) 2.541 9.032 ( -1.286 -3.093 3.679) 4.975 9.053 ( -2.076 -4.258 3.406) 5.834 9.660 ( 2.503 12.351 2.162) 12.786 9.801 ( 8.139 -1.783 3.715) 9.123 9.865 ( 2.877 6.389 -6.691) 9.689 10.068 ( -1.893 -11.104 -7.135) 13.334 10.600 ( -3.592 12.857 5.218) 14.333 10.810 ( -2.428 -7.341 6.194) 9.907 10.990 ( -3.882 5.365 1.177) 6.726 11.041 ( -6.021 -0.583 0.533) 6.072 11.520 ( 3.173 8.532 -2.306) 9.390 11.657 ( 6.775 -5.658 -3.021) 9.330 11.960 ( -12.131 2.555 -0.311) 12.401 12.064 ( -8.044 -7.431 -0.324) 10.955 12.768 ( 7.137 10.606 2.606) 13.047 12.977 ( 9.157 -9.714 1.923) 13.487 13.396 ( 1.864 9.344 1.747) 9.687 13.567 ( 1.340 -1.740 -0.308) 2.217 13.742 ( -15.773 3.220 -1.955) 16.216 14.061 ( -7.899 -21.448 -1.527) 22.907 15.471 ( 0.458 5.402 -1.455) 5.613 15.588 ( 1.465 -6.400 -0.987) 6.639 16.202 ( 10.305 9.429 0.217) 13.970 16.273 ( 2.005 0.917 2.957) 3.689 16.365 ( 0.042 0.696 0.744) 1.020 16.487 ( 2.464 -8.270 -1.834) 8.822 17.619 ( -1.589 7.418 -1.527) 7.738 17.841 ( -0.214 -14.497 -1.662) 14.594 18.262 ( -4.198 6.029 0.635) 7.374 18.403 ( -3.630 -7.311 1.364) 8.275 19.576 ( 1.172 24.836 0.754) 24.875 20.101 ( 2.074 -26.625 0.889) 26.721 23.196 ( -1.047 21.285 -0.241) 21.312 23.602 ( 0.073 -19.064 -0.195) 19.065 25.118 ( -0.293 9.508 0.176) 9.514 25.308 ( 0.237 -9.213 0.016) 9.216 ======================= Grid point 63 (21/125) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 14.187 0.000 25.574) 29.245 0.617 ( -1.899 0.000 32.759) 32.814 1.242 ( -3.494 0.000 63.876) 63.971 1.708 ( -13.268 0.000 32.789) 35.372 1.719 ( -3.351 0.000 -2.541) 4.205 2.258 ( 0.059 0.000 0.738) 0.740 2.703 ( -0.101 0.000 -8.180) 8.181 2.798 ( 1.082 0.000 1.107) 1.548 3.283 ( -14.869 0.000 6.650) 16.288 3.349 ( 2.751 0.000 -4.286) 5.093 3.427 ( 1.807 0.000 -3.441) 3.886 3.508 ( -3.444 0.000 -2.541) 4.280 3.762 ( 3.868 0.000 5.014) 6.333 3.869 ( 14.174 0.000 9.285) 16.944 3.974 ( 0.788 0.000 2.136) 2.277 4.017 ( 2.624 0.000 9.163) 9.531 4.394 ( -6.570 0.000 -4.809) 8.142 4.545 ( 1.298 0.000 -8.661) 8.758 4.795 ( -12.326 0.000 -1.243) 12.388 5.323 ( 7.377 0.000 0.252) 7.382 5.365 ( -11.772 0.000 9.871) 15.363 5.398 ( 3.331 0.000 -8.184) 8.836 5.549 ( -2.178 0.000 -10.662) 10.882 5.665 ( 5.567 0.000 -5.427) 7.775 5.800 ( -2.807 0.000 3.744) 4.680 6.315 ( 1.693 0.000 2.843) 3.309 6.651 ( 0.904 0.000 1.227) 1.524 7.093 ( 20.956 0.000 2.370) 21.090 7.471 ( 8.354 0.000 -8.192) 11.700 7.899 ( 4.571 0.000 -2.879) 5.402 7.924 ( 2.283 0.000 2.096) 3.099 7.982 ( -3.042 0.000 -2.023) 3.654 8.131 ( 0.215 0.000 -2.991) 2.998 8.140 ( -8.889 0.000 -1.657) 9.042 8.310 ( 6.057 0.000 5.272) 8.030 8.608 ( 6.424 0.000 8.469) 10.630 8.991 ( -0.849 0.000 -3.127) 3.240 9.290 ( -2.367 0.000 3.586) 4.297 9.450 ( 0.145 0.000 -3.662) 3.664 9.529 ( 3.990 0.000 0.313) 4.002 9.805 ( 1.238 0.000 -5.802) 5.932 10.181 ( -20.305 0.000 10.782) 22.990 10.402 ( 7.825 0.000 -18.313) 19.914 10.710 ( -15.181 0.000 6.617) 16.560 10.916 ( -12.451 0.000 5.997) 13.820 11.133 ( 0.830 0.000 0.717) 1.097 11.281 ( 7.981 0.000 1.956) 8.218 11.775 ( 5.810 0.000 0.998) 5.895 12.503 ( -27.430 0.000 0.578) 27.436 12.505 ( 3.584 0.000 -9.302) 9.968 12.654 ( -51.627 0.000 5.763) 51.948 12.776 ( -7.412 0.000 4.771) 8.815 13.132 ( 2.607 0.000 -3.296) 4.203 13.211 ( 1.741 0.000 0.162) 1.748 14.662 ( 43.279 0.000 1.300) 43.299 14.663 ( 1.690 0.000 3.915) 4.265 15.185 ( 1.510 0.000 5.874) 6.065 15.283 ( 1.203 0.000 3.691) 3.883 15.765 ( -4.321 0.000 -7.034) 8.256 16.394 ( 1.524 0.000 -6.505) 6.682 16.683 ( -4.953 0.000 8.233) 9.609 17.395 ( 2.998 0.000 4.017) 5.013 18.182 ( -0.172 0.000 6.857) 6.859 18.455 ( 1.858 0.000 -4.823) 5.169 18.529 ( -9.367 0.000 -0.405) 9.376 18.872 ( 7.127 0.000 4.256) 8.301 18.979 ( -19.796 0.000 -0.757) 19.810 21.105 ( 13.585 0.000 -29.942) 32.880 22.364 ( 5.077 0.000 28.539) 28.987 24.232 ( 6.451 0.000 3.002) 7.115 24.567 ( 3.377 0.000 -9.726) 10.296 25.510 ( 1.566 0.000 -11.112) 11.222 ======================= Grid point 64 (22/125) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 4.611 0.000 26.630) 27.026 1.028 ( 22.761 0.000 23.577) 32.771 1.436 ( -3.571 0.000 33.312) 33.503 1.729 ( 5.462 0.000 -3.969) 6.751 1.742 ( 10.883 0.000 44.909) 46.209 2.295 ( 3.772 0.000 1.228) 3.967 2.640 ( -2.643 0.000 0.301) 2.660 2.785 ( -2.761 0.000 1.068) 2.960 3.068 ( -8.501 0.000 18.046) 19.948 3.426 ( -1.614 0.000 -0.442) 1.674 3.438 ( -1.576 0.000 -1.885) 2.457 3.456 ( 5.613 0.000 -11.473) 12.772 3.798 ( -1.910 0.000 5.227) 5.565 3.893 ( -3.952 0.000 6.339) 7.470 3.980 ( -0.356 0.000 1.395) 1.440 4.160 ( -6.114 0.000 -9.838) 11.583 4.328 ( 7.453 0.000 2.775) 7.953 4.458 ( -8.187 0.000 -12.562) 14.995 4.714 ( 6.358 0.000 -1.082) 6.450 5.166 ( -14.296 0.000 17.951) 22.948 5.334 ( -0.107 0.000 -7.257) 7.258 5.469 ( 2.637 0.000 -0.844) 2.769 5.520 ( 2.774 0.000 -13.865) 14.140 5.784 ( -1.162 0.000 9.271) 9.344 5.835 ( 11.635 0.000 -0.502) 11.646 6.393 ( 5.484 0.000 2.774) 6.146 6.695 ( 2.473 0.000 2.628) 3.609 7.142 ( -14.174 0.000 14.759) 20.463 7.597 ( 4.852 0.000 -5.155) 7.080 7.770 ( -4.057 0.000 -3.593) 5.419 7.870 ( -6.635 0.000 -0.827) 6.687 7.952 ( -9.671 0.000 4.649) 10.730 7.966 ( 2.124 0.000 -2.335) 3.157 8.094 ( -2.219 0.000 -4.587) 5.095 8.418 ( -1.492 0.000 -8.834) 8.959 8.715 ( 0.245 0.000 9.516) 9.519 8.980 ( 1.419 0.000 -7.483) 7.616 9.045 ( -26.531 0.000 33.779) 42.952 9.447 ( 1.164 0.000 0.080) 1.166 9.504 ( 6.121 0.000 -0.936) 6.192 9.591 ( 1.485 0.000 3.409) 3.718 9.924 ( -6.984 0.000 -1.952) 7.252 10.462 ( 6.584 0.000 -20.655) 21.679 10.613 ( -20.466 0.000 0.568) 20.474 10.714 ( 1.361 0.000 10.799) 10.884 11.180 ( 2.467 0.000 4.572) 5.195 11.288 ( -5.666 0.000 3.776) 6.809 11.923 ( 8.478 0.000 3.398) 9.134 12.231 ( 5.818 0.000 5.895) 8.283 12.537 ( 0.597 0.000 -9.603) 9.621 12.607 ( 4.792 0.000 -1.768) 5.108 12.714 ( 0.630 0.000 0.895) 1.094 13.167 ( -4.427 0.000 5.190) 6.822 13.235 ( 9.071 0.000 -1.527) 9.198 14.834 ( 13.626 0.000 4.994) 14.512 14.886 ( -4.942 0.000 3.537) 6.077 15.196 ( -3.440 0.000 7.635) 8.374 15.622 ( -6.238 0.000 -11.151) 12.777 15.647 ( 23.903 0.000 -19.081) 30.585 16.403 ( 1.320 0.000 -7.391) 7.508 16.614 ( -4.418 0.000 3.826) 5.845 17.452 ( 0.497 0.000 6.833) 6.851 18.147 ( -8.100 0.000 10.333) 13.129 18.288 ( -33.124 0.000 22.927) 40.285 18.324 ( -6.740 0.000 -8.348) 10.729 18.568 ( 1.322 0.000 4.231) 4.433 19.075 ( 9.438 0.000 8.007) 12.377 21.166 ( 5.592 0.000 -26.261) 26.850 22.098 ( -23.308 0.000 35.279) 42.283 24.499 ( 10.958 0.000 -8.233) 13.706 24.582 ( 1.699 0.000 -9.004) 9.163 25.505 ( 2.299 0.000 -11.486) 11.714 ======================= Grid point 65 (23/125) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 5.297 0.000 18.209) 18.964 1.328 ( -4.480 0.000 27.356) 27.721 1.525 ( 10.295 0.000 21.525) 23.860 1.854 ( 7.062 0.000 -0.174) 7.065 2.258 ( 20.093 0.000 33.641) 39.184 2.423 ( 10.069 0.000 0.450) 10.079 2.647 ( 3.522 0.000 3.178) 4.744 2.712 ( -4.887 0.000 -0.414) 4.904 3.029 ( -3.553 0.000 16.522) 16.900 3.336 ( -8.809 0.000 1.800) 8.991 3.338 ( -6.088 0.000 -8.000) 10.053 3.531 ( 3.322 0.000 -2.353) 4.071 3.718 ( -9.048 0.000 4.692) 10.192 3.832 ( -4.380 0.000 1.781) 4.728 4.001 ( -3.009 0.000 -8.500) 9.017 4.006 ( 3.509 0.000 -0.023) 3.509 4.290 ( -4.301 0.000 -9.272) 10.221 4.448 ( 3.099 0.000 4.550) 5.505 4.866 ( 8.781 0.000 -4.116) 9.698 4.998 ( -9.439 0.000 17.627) 19.995 5.315 ( 0.840 0.000 -7.562) 7.609 5.496 ( 1.674 0.000 -6.660) 6.867 5.527 ( 2.258 0.000 -7.702) 8.026 5.818 ( -0.607 0.000 16.355) 16.366 6.003 ( 5.646 0.000 -1.260) 5.785 6.539 ( 8.366 0.000 1.783) 8.554 6.737 ( 0.263 0.000 3.582) 3.592 6.851 ( -20.330 0.000 19.757) 28.348 7.557 ( -5.263 0.000 -3.595) 6.374 7.741 ( -5.338 0.000 -1.928) 5.675 7.798 ( 6.965 0.000 -15.042) 16.577 7.929 ( 2.422 0.000 13.152) 13.373 7.976 ( -0.469 0.000 -0.731) 0.868 8.043 ( -0.840 0.000 -5.140) 5.209 8.293 ( -6.613 0.000 -6.832) 9.508 8.676 ( -5.548 0.000 12.387) 13.573 8.943 ( -0.979 0.000 16.313) 16.342 8.982 ( 2.982 0.000 -12.649) 12.995 9.485 ( 1.091 0.000 0.007) 1.091 9.619 ( 0.278 0.000 8.492) 8.497 9.674 ( 8.195 0.000 -14.956) 17.054 9.795 ( -2.115 0.000 -2.499) 3.274 10.183 ( -22.354 0.000 -5.829) 23.102 10.522 ( 7.449 0.000 -17.984) 19.466 10.745 ( -4.092 0.000 19.574) 19.997 11.231 ( -1.404 0.000 5.090) 5.280 11.245 ( 1.567 0.000 8.489) 8.632 12.091 ( 7.910 0.000 1.386) 8.030 12.335 ( 3.649 0.000 -1.786) 4.063 12.448 ( -5.448 0.000 -7.160) 8.997 12.724 ( -1.176 0.000 -0.193) 1.192 12.725 ( 7.094 0.000 1.608) 7.274 13.196 ( 4.974 0.000 7.375) 8.896 13.447 ( 13.450 0.000 -1.079) 13.493 14.710 ( -15.436 0.000 7.835) 17.311 15.114 ( 9.187 0.000 5.722) 10.823 15.161 ( -2.022 0.000 3.838) 4.338 15.534 ( 6.379 0.000 -13.341) 14.788 15.901 ( 10.884 0.000 -7.348) 13.132 16.360 ( -3.719 0.000 -8.108) 8.920 16.548 ( -2.792 0.000 -3.922) 4.814 17.457 ( -2.598 0.000 8.018) 8.428 17.867 ( -20.761 0.000 25.741) 33.070 17.964 ( -11.988 0.000 6.371) 13.576 18.259 ( 0.581 0.000 -5.430) 5.461 18.656 ( 4.621 0.000 -0.066) 4.621 19.243 ( 4.930 0.000 8.000) 9.397 21.162 ( 3.563 0.000 -21.585) 21.878 21.887 ( -12.885 0.000 27.925) 30.754 24.566 ( 0.447 0.000 -9.965) 9.975 24.596 ( 3.702 0.000 -5.208) 6.389 25.512 ( 2.824 0.000 -11.230) 11.579 ======================= Grid point 66 (24/125) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.940 0.000 14.029) 14.061 1.281 ( -8.155 0.000 22.720) 24.140 1.792 ( 5.883 0.000 29.573) 30.153 1.951 ( 2.221 0.000 5.339) 5.783 2.500 ( -1.379 0.000 10.681) 10.770 2.614 ( -3.431 0.000 -4.588) 5.729 2.671 ( 14.969 0.000 -0.370) 14.973 2.827 ( 7.477 0.000 2.205) 7.795 2.975 ( -12.521 0.000 12.596) 17.760 3.111 ( -15.164 0.000 1.302) 15.219 3.255 ( 5.431 0.000 5.299) 7.588 3.501 ( -9.970 0.000 0.582) 9.987 3.574 ( -0.006 0.000 -2.543) 2.543 3.799 ( -0.336 0.000 3.897) 3.911 3.966 ( 0.941 0.000 -6.574) 6.641 4.101 ( 4.909 0.000 -1.244) 5.064 4.234 ( 1.541 0.000 -3.122) 3.482 4.496 ( 0.034 0.000 7.013) 7.013 4.965 ( -1.007 0.000 18.662) 18.689 4.983 ( 5.281 0.000 -5.121) 7.356 5.301 ( 0.401 0.000 -7.063) 7.074 5.483 ( 0.395 0.000 -9.692) 9.700 5.547 ( 1.975 0.000 -4.446) 4.865 5.866 ( -1.881 0.000 20.730) 20.815 6.045 ( 0.339 0.000 -4.328) 4.341 6.552 ( -16.996 0.000 8.654) 19.072 6.659 ( 2.859 0.000 0.110) 2.861 6.730 ( -2.121 0.000 4.367) 4.855 7.473 ( -1.824 0.000 -2.285) 2.923 7.689 ( 0.686 0.000 -3.483) 3.550 7.882 ( 6.612 0.000 -8.239) 10.564 7.958 ( -1.143 0.000 1.062) 1.561 7.989 ( -2.823 0.000 2.580) 3.824 8.020 ( 0.242 0.000 -5.483) 5.489 8.193 ( 0.211 0.000 1.196) 1.214 8.634 ( -3.784 0.000 9.372) 10.108 8.972 ( -2.084 0.000 4.464) 4.926 9.013 ( 5.790 0.000 -15.047) 16.123 9.453 ( -2.742 0.000 -4.938) 5.648 9.599 ( -3.802 0.000 -8.486) 9.299 9.650 ( -4.996 0.000 11.010) 12.090 9.831 ( -7.306 0.000 -6.949) 10.083 9.947 ( 13.873 0.000 -6.704) 15.407 10.624 ( 9.401 0.000 -12.963) 16.013 10.701 ( -8.328 0.000 20.532) 22.157 11.269 ( 1.968 0.000 9.048) 9.260 11.286 ( -1.079 0.000 10.714) 10.769 12.169 ( -1.591 0.000 -9.284) 9.419 12.355 ( 0.746 0.000 0.728) 1.042 12.378 ( 2.513 0.000 -2.319) 3.419 12.711 ( -0.082 0.000 3.664) 3.665 12.864 ( 5.963 0.000 6.441) 8.778 13.308 ( 2.258 0.000 5.000) 5.486 13.696 ( 12.098 0.000 -1.617) 12.206 14.404 ( -18.147 0.000 6.393) 19.240 15.138 ( -2.695 0.000 -2.818) 3.899 15.152 ( -0.493 0.000 3.134) 3.173 15.822 ( 22.196 0.000 -5.235) 22.805 16.075 ( 8.731 0.000 8.454) 12.154 16.190 ( -10.970 0.000 -6.815) 12.914 16.471 ( -2.559 0.000 -12.401) 12.663 17.430 ( -3.164 0.000 7.298) 7.954 17.664 ( -10.756 0.000 21.164) 23.741 17.806 ( -5.967 0.000 4.903) 7.723 18.268 ( 1.860 0.000 -3.365) 3.845 18.712 ( 1.324 0.000 -1.409) 1.933 19.310 ( -0.565 0.000 6.354) 6.379 21.145 ( 2.677 0.000 -19.525) 19.707 21.785 ( -8.243 0.000 22.268) 23.745 24.533 ( 0.518 0.000 -11.795) 11.806 24.626 ( 1.494 0.000 -3.805) 4.088 25.526 ( 2.776 0.000 -10.600) 10.957 ======================= Grid point 67 (25/125) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -8.775 0.000 13.981) 16.507 1.195 ( -10.610 0.000 24.828) 27.000 1.933 ( -3.932 0.000 35.851) 36.066 1.987 ( -0.501 0.000 6.819) 6.837 2.356 ( -20.199 0.000 0.264) 20.200 2.549 ( -2.424 0.000 -3.671) 4.399 2.631 ( -14.474 0.000 12.378) 19.045 2.816 ( -13.169 0.000 -3.296) 13.575 2.962 ( 14.358 0.000 -0.260) 14.360 2.963 ( 4.582 0.000 -5.853) 7.433 3.325 ( -5.467 0.000 -4.814) 7.284 3.488 ( 6.601 0.000 16.471) 17.745 3.583 ( 1.411 0.000 -0.325) 1.448 3.850 ( 4.631 0.000 3.897) 6.053 3.971 ( 1.795 0.000 -5.606) 5.887 4.095 ( -3.508 0.000 -0.845) 3.608 4.357 ( 9.225 0.000 1.589) 9.361 4.505 ( -1.720 0.000 7.514) 7.709 5.018 ( 0.033 0.000 -2.796) 2.796 5.088 ( 5.716 0.000 21.866) 22.601 5.280 ( -0.012 0.000 -6.709) 6.709 5.452 ( 0.198 0.000 -9.865) 9.867 5.564 ( 2.112 0.000 -6.473) 6.809 5.895 ( -3.427 0.000 23.615) 23.862 5.988 ( -4.005 0.000 -7.125) 8.174 6.289 ( -12.361 0.000 -1.279) 12.427 6.632 ( -6.182 0.000 -0.139) 6.184 6.710 ( -0.582 0.000 2.628) 2.691 7.460 ( 0.647 0.000 -1.910) 2.017 7.702 ( 1.046 0.000 -3.084) 3.256 7.857 ( -8.097 0.000 -2.469) 8.465 7.963 ( 1.770 0.000 1.475) 2.305 8.009 ( 9.651 0.000 -6.767) 11.787 8.010 ( 1.161 0.000 -6.229) 6.336 8.293 ( 5.336 0.000 12.856) 13.920 8.591 ( -3.791 0.000 6.512) 7.535 8.873 ( -6.980 0.000 -5.408) 8.830 9.077 ( 6.165 0.000 -15.050) 16.264 9.376 ( -1.672 0.000 -8.500) 8.663 9.517 ( -7.370 0.000 6.636) 9.918 9.540 ( 0.486 0.000 -9.302) 9.315 9.888 ( 9.857 0.000 -3.400) 10.427 10.216 ( 15.185 0.000 2.384) 15.371 10.587 ( -11.164 0.000 17.751) 20.970 10.763 ( 8.761 0.000 -7.530) 11.553 11.292 ( -2.352 0.000 13.045) 13.256 11.342 ( 1.025 0.000 12.232) 12.275 12.006 ( -8.585 0.000 -12.546) 15.202 12.430 ( 3.831 0.000 -1.223) 4.021 12.457 ( 7.263 0.000 0.124) 7.264 12.744 ( 1.637 0.000 4.842) 5.111 12.995 ( 4.705 0.000 11.745) 12.652 13.282 ( -6.574 0.000 3.671) 7.529 13.752 ( -9.860 0.000 3.152) 10.351 14.226 ( 2.234 0.000 -2.807) 3.588 15.071 ( -3.476 0.000 -4.746) 5.883 15.160 ( -0.248 0.000 4.615) 4.622 15.929 ( -10.873 0.000 -1.959) 11.048 16.201 ( 16.351 0.000 -5.636) 17.295 16.310 ( 10.993 0.000 13.651) 17.527 16.349 ( -4.790 0.000 -15.524) 16.246 17.379 ( -4.489 0.000 4.440) 6.314 17.608 ( -3.212 0.000 21.469) 21.708 17.807 ( 3.663 0.000 6.577) 7.528 18.304 ( 3.200 0.000 -1.994) 3.771 18.690 ( -2.621 0.000 -3.177) 4.119 19.270 ( -5.702 0.000 4.118) 7.034 21.117 ( 1.769 0.000 -19.207) 19.289 21.732 ( -5.689 0.000 20.092) 20.882 24.508 ( 1.754 0.000 -13.083) 13.200 24.627 ( 0.082 0.000 -4.032) 4.033 25.536 ( 2.264 0.000 -10.112) 10.362 ======================= Grid point 68 (26/125) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -15.832 0.000 17.127) 23.324 1.042 ( -16.237 0.000 24.324) 29.245 1.789 ( -36.593 0.000 15.240) 39.640 1.919 ( -12.347 0.000 39.366) 41.257 1.971 ( -4.431 0.000 5.235) 6.858 2.418 ( -9.987 0.000 0.307) 9.992 2.554 ( 0.013 0.000 6.948) 6.948 2.691 ( 1.699 0.000 -5.126) 5.400 3.038 ( 5.200 0.000 -2.250) 5.666 3.207 ( 11.572 0.000 -1.543) 11.675 3.243 ( -0.996 0.000 -2.900) 3.067 3.580 ( -1.215 0.000 11.084) 11.150 3.631 ( 3.274 0.000 1.800) 3.736 3.948 ( 0.236 0.000 2.612) 2.622 3.993 ( 4.272 0.000 -7.775) 8.871 4.013 ( -4.433 0.000 0.242) 4.440 4.496 ( -1.934 0.000 7.580) 7.823 4.522 ( 6.847 0.000 0.655) 6.878 4.986 ( -2.336 0.000 3.731) 4.402 5.235 ( -2.272 0.000 -8.461) 8.761 5.315 ( 9.383 0.000 19.902) 22.003 5.421 ( 0.501 0.000 -10.114) 10.127 5.587 ( 3.143 0.000 -8.067) 8.657 5.859 ( -6.278 0.000 -8.906) 10.897 5.939 ( -0.888 0.000 27.567) 27.582 6.079 ( -8.584 0.000 -0.993) 8.641 6.468 ( -9.708 0.000 -0.152) 9.709 6.700 ( -1.892 0.000 1.381) 2.342 7.463 ( 0.149 0.000 -3.655) 3.658 7.709 ( -5.984 0.000 0.927) 6.055 7.722 ( 3.271 0.000 -3.108) 4.512 8.005 ( 1.851 0.000 -2.588) 3.182 8.041 ( 4.050 0.000 -2.374) 4.695 8.200 ( 11.875 0.000 -2.091) 12.058 8.408 ( -1.034 0.000 12.227) 12.270 8.534 ( -5.998 0.000 3.529) 6.960 8.799 ( 6.799 0.000 -2.643) 7.295 9.096 ( 0.135 0.000 -9.817) 9.817 9.366 ( 3.367 0.000 -6.211) 7.065 9.454 ( -1.072 0.000 2.041) 2.306 9.522 ( 0.759 0.000 -9.702) 9.731 10.096 ( 13.339 0.000 -8.832) 15.998 10.419 ( -10.952 0.000 12.788) 16.837 10.506 ( 11.135 0.000 11.723) 16.168 10.885 ( 6.477 0.000 -3.389) 7.310 11.293 ( -4.183 0.000 15.804) 16.348 11.375 ( -2.743 0.000 12.122) 12.429 11.804 ( -6.633 0.000 -13.512) 15.052 12.506 ( 4.249 0.000 -1.194) 4.414 12.556 ( 1.869 0.000 -3.208) 3.713 12.838 ( 8.363 0.000 3.391) 9.024 13.121 ( -10.861 0.000 4.134) 11.621 13.140 ( 5.500 0.000 13.066) 14.177 13.515 ( -11.989 0.000 13.178) 17.815 14.323 ( 6.128 0.000 -13.054) 14.421 14.936 ( -9.610 0.000 -2.702) 9.983 15.175 ( -0.297 0.000 6.646) 6.653 15.806 ( -1.526 0.000 -0.306) 1.556 16.104 ( -11.943 0.000 -34.392) 36.407 16.388 ( 5.826 0.000 -6.494) 8.724 16.583 ( 8.123 0.000 21.400) 22.890 17.324 ( -1.769 0.000 1.581) 2.373 17.756 ( 11.207 0.000 34.220) 36.008 17.952 ( 7.680 0.000 8.189) 11.227 18.382 ( 5.618 0.000 0.296) 5.625 18.600 ( -4.918 0.000 -4.721) 6.817 19.132 ( -9.968 0.000 1.810) 10.131 21.068 ( 0.515 0.000 -19.800) 19.807 21.721 ( -3.466 0.000 22.672) 22.936 24.507 ( 3.314 0.000 -12.954) 13.372 24.593 ( -2.101 0.000 -6.380) 6.717 25.535 ( 1.615 0.000 -10.062) 10.191 ======================= Grid point 69 (27/125) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -13.294 0.000 25.976) 29.181 0.695 ( -27.828 0.000 9.030) 29.256 1.275 ( -25.137 0.000 51.856) 57.628 1.826 ( -12.683 0.000 37.830) 39.899 1.848 ( -8.861 0.000 1.695) 9.022 2.286 ( -3.736 0.000 0.439) 3.762 2.647 ( 6.729 0.000 0.281) 6.735 2.746 ( 4.049 0.000 -1.614) 4.359 3.174 ( 9.969 0.000 3.311) 10.505 3.297 ( 6.625 0.000 11.549) 13.315 3.370 ( 6.221 0.000 -2.627) 6.753 3.565 ( -2.915 0.000 6.520) 7.143 3.708 ( 3.695 0.000 2.940) 4.722 3.827 ( -11.540 0.000 -10.224) 15.417 3.959 ( -0.895 0.000 0.611) 1.083 4.024 ( -1.118 0.000 4.524) 4.660 4.482 ( -2.234 0.000 1.802) 2.870 4.575 ( -0.347 0.000 -4.592) 4.605 4.978 ( -5.003 0.000 9.424) 10.670 5.171 ( 3.517 0.000 -9.065) 9.723 5.401 ( 1.380 0.000 -10.465) 10.556 5.480 ( 0.468 0.000 1.232) 1.318 5.611 ( 1.964 0.000 -6.633) 6.917 5.697 ( -6.446 0.000 -10.446) 12.275 5.870 ( -7.022 0.000 2.774) 7.550 6.327 ( -4.453 0.000 1.578) 4.725 6.346 ( 29.245 0.000 47.446) 55.735 6.660 ( -2.002 0.000 0.552) 2.077 7.432 ( -0.701 0.000 -4.911) 4.960 7.705 ( 4.407 0.000 12.288) 13.055 7.805 ( 6.179 0.000 -3.563) 7.132 8.017 ( 0.185 0.000 -2.738) 2.744 8.107 ( 3.121 0.000 -1.831) 3.618 8.325 ( -5.970 0.000 -5.978) 8.449 8.376 ( -8.309 0.000 5.858) 10.167 8.433 ( 7.970 0.000 4.107) 8.966 9.038 ( -2.602 0.000 -3.900) 4.688 9.142 ( 21.551 0.000 12.354) 24.841 9.425 ( 3.876 0.000 -2.797) 4.780 9.471 ( 2.354 0.000 -3.069) 3.868 9.514 ( 5.731 0.000 -7.746) 9.635 10.272 ( -7.660 0.000 10.141) 12.709 10.286 ( 11.111 0.000 -14.640) 18.378 10.734 ( 6.878 0.000 16.264) 17.659 10.979 ( 3.035 0.000 1.721) 3.489 11.207 ( -9.279 0.000 9.233) 13.090 11.314 ( -7.641 0.000 7.835) 10.944 11.714 ( 1.291 0.000 -6.881) 7.001 12.520 ( -1.687 0.000 -6.444) 6.661 12.554 ( 1.310 0.000 -3.134) 3.397 12.922 ( -9.492 0.000 6.355) 11.423 13.073 ( 11.195 0.000 -0.433) 11.204 13.158 ( -3.347 0.000 -4.586) 5.677 13.729 ( 27.154 0.000 38.244) 46.904 14.134 ( -29.016 0.000 -37.413) 47.346 14.738 ( -9.346 0.000 1.207) 9.424 15.193 ( -0.984 0.000 7.652) 7.715 15.598 ( -26.299 0.000 -32.338) 41.682 15.813 ( 0.748 0.000 -2.520) 2.629 16.406 ( 0.213 0.000 -6.726) 6.729 16.712 ( -0.927 0.000 12.534) 12.568 17.333 ( 2.000 0.000 1.365) 2.421 18.110 ( 5.101 0.000 7.593) 9.147 18.394 ( 33.441 0.000 30.303) 45.128 18.515 ( 7.038 0.000 3.738) 7.969 18.524 ( 8.204 0.000 9.057) 12.220 18.928 ( -10.815 0.000 -0.358) 10.821 21.004 ( 2.042 0.000 -19.418) 19.525 21.830 ( 7.614 0.000 40.041) 40.759 24.461 ( -10.704 0.000 -11.190) 15.486 24.534 ( 4.083 0.000 -11.503) 12.206 25.524 ( 1.273 0.000 -10.471) 10.548 ======================= Grid point 70 (28/125) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 7.699 16.009 16.252) 24.077 0.918 ( 1.781 21.499 20.458) 29.731 1.626 ( -10.650 25.082 36.228) 45.332 1.683 ( -8.667 2.441 32.545) 33.768 1.828 ( 0.263 13.202 4.524) 13.959 2.264 ( -0.261 0.842 0.867) 1.236 2.560 ( 1.191 -7.392 -0.099) 7.488 2.828 ( 0.074 1.908 1.240) 2.277 3.188 ( -4.984 -5.097 9.059) 11.527 3.321 ( 2.412 -2.707 -2.206) 4.244 3.429 ( -3.539 -4.430 -0.474) 5.690 3.515 ( 0.076 4.414 -4.931) 6.619 3.694 ( 1.312 -4.757 4.581) 6.733 3.771 ( 4.611 -4.991 9.543) 11.715 3.961 ( 3.819 -4.110 8.851) 10.479 4.101 ( 2.829 1.767 0.538) 3.379 4.268 ( -5.753 -8.198 -3.863) 10.734 4.568 ( 2.497 0.392 -8.916) 9.267 4.766 ( -10.370 -2.992 1.224) 10.862 5.103 ( -4.395 -12.585 8.879) 16.017 5.259 ( 2.393 -4.633 -0.976) 5.304 5.457 ( 3.245 -0.415 5.496) 6.396 5.597 ( -0.738 3.930 -7.095) 8.145 5.684 ( 3.215 2.960 -6.767) 8.055 5.940 ( -2.768 9.109 -1.059) 9.579 6.315 ( 1.387 0.364 3.972) 4.222 6.535 ( 3.376 -7.869 7.819) 11.596 6.840 ( 9.026 -11.646 24.776) 28.826 7.470 ( 2.867 1.419 -4.219) 5.295 7.745 ( -1.782 1.481 8.520) 8.829 8.007 ( 5.236 5.919 -3.590) 8.680 8.073 ( 0.775 -0.917 -4.491) 4.649 8.183 ( -6.892 3.676 0.584) 7.833 8.265 ( -4.102 13.133 -5.869) 14.958 8.364 ( 2.196 -2.154 2.345) 3.868 8.636 ( 3.611 4.635 10.142) 11.721 8.775 ( -0.633 -6.537 2.660) 7.086 9.216 ( -3.376 -4.464 0.945) 5.676 9.488 ( 0.201 1.694 -2.024) 2.647 9.566 ( -0.075 2.505 1.333) 2.838 9.808 ( 2.582 0.466 -3.125) 4.080 10.127 ( -3.045 -6.635 2.614) 7.754 10.502 ( 3.970 7.309 -10.166) 13.135 10.793 ( -9.403 7.105 5.848) 13.157 10.940 ( -10.558 2.738 5.437) 12.188 11.090 ( 8.145 -2.029 -0.771) 8.430 11.315 ( -2.939 2.605 1.417) 4.175 11.782 ( 1.169 0.639 0.650) 1.482 11.883 ( -11.190 -11.068 19.295) 24.900 12.543 ( -0.243 -1.821 -5.045) 5.369 12.583 ( -4.344 -1.428 -3.844) 5.974 12.916 ( 0.065 -11.250 -0.998) 11.295 13.373 ( -1.676 11.814 -2.242) 12.141 13.703 ( -27.185 24.906 -14.168) 39.498 14.636 ( 2.681 -2.176 3.581) 4.974 14.715 ( 32.625 4.170 -5.719) 33.384 15.163 ( -0.419 -2.664 5.888) 6.477 15.285 ( -4.764 1.434 2.656) 5.640 15.732 ( -2.424 -3.887 -4.545) 6.453 16.308 ( 3.238 -6.119 -5.095) 8.595 16.722 ( -6.339 1.639 6.451) 9.192 17.099 ( 1.011 -19.211 21.232) 28.651 18.183 ( 1.459 -0.606 4.425) 4.698 18.396 ( 3.664 -5.319 -2.799) 7.039 18.413 ( -16.443 -10.600 1.468) 19.619 18.735 ( 8.267 -3.029 9.653) 13.065 19.040 ( -5.797 3.036 -3.509) 7.425 20.786 ( 12.494 -22.812 -17.946) 31.600 22.378 ( -0.193 10.907 25.805) 28.016 24.179 ( 0.356 -4.558 2.916) 5.423 24.706 ( 4.949 6.414 -14.599) 16.696 25.485 ( 1.691 -2.485 -11.311) 11.703 ======================= Grid point 71 (29/125) ======================= q-point: ( 0.14 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 10.160 14.968 15.824) 24.035 1.140 ( 19.074 12.379 17.640) 28.779 1.523 ( -10.344 6.618 25.031) 27.881 1.722 ( 3.939 4.387 15.976) 17.029 2.003 ( 9.755 21.706 22.874) 33.008 2.299 ( 4.192 0.067 2.089) 4.684 2.575 ( 1.004 -3.247 1.115) 3.577 2.791 ( -4.178 0.098 1.638) 4.489 3.094 ( -6.862 1.608 13.867) 15.555 3.343 ( -4.048 -7.572 -5.189) 10.032 3.384 ( 3.375 -3.345 -3.899) 6.147 3.518 ( 1.070 4.564 -0.132) 4.690 3.716 ( -1.329 -6.964 3.100) 7.738 3.815 ( -1.808 -6.094 6.618) 9.177 4.014 ( -3.223 1.665 0.998) 3.763 4.119 ( -5.985 -7.143 -1.016) 9.374 4.241 ( 8.265 -2.107 -0.658) 8.555 4.485 ( -5.172 2.055 -10.460) 11.849 4.753 ( 7.707 0.765 0.056) 7.745 5.017 ( -7.834 -9.253 12.191) 17.194 5.263 ( -1.290 -5.492 1.509) 5.840 5.523 ( 2.332 4.798 -3.226) 6.234 5.591 ( 2.117 5.564 -10.084) 11.710 5.795 ( 8.645 -1.423 -3.035) 9.272 5.925 ( 0.901 7.467 6.855) 10.177 6.386 ( 5.076 -0.679 2.841) 5.856 6.642 ( 4.636 -4.457 5.721) 8.607 6.956 ( -6.922 -13.171 23.878) 28.135 7.527 ( 3.349 -6.182 -4.943) 8.595 7.683 ( -4.500 5.310 1.358) 7.092 7.993 ( -6.274 4.151 3.219) 8.183 8.015 ( -2.828 -1.869 -4.562) 5.683 8.127 ( -5.296 14.824 -5.468) 16.664 8.167 ( 2.100 11.941 -0.702) 12.144 8.429 ( 1.879 -3.743 -0.110) 4.189 8.690 ( -1.913 -2.484 10.822) 11.267 8.790 ( 0.851 -1.452 2.576) 3.077 9.236 ( 4.460 -4.076 7.006) 9.251 9.312 ( -13.723 5.676 -2.079) 14.995 9.533 ( -0.367 1.314 -2.726) 3.048 9.768 ( -2.990 7.011 -3.765) 8.501 10.106 ( -2.527 8.319 5.990) 10.558 10.397 ( -1.207 0.445 -17.810) 17.857 10.649 ( -17.576 3.882 2.291) 18.145 10.766 ( -0.390 5.408 7.293) 9.088 11.173 ( 1.424 -0.067 4.771) 4.979 11.310 ( -2.264 0.177 2.197) 3.160 11.736 ( 4.575 -9.550 7.909) 13.217 12.128 ( 13.425 -1.367 2.825) 13.787 12.504 ( 1.507 -2.843 -8.370) 8.967 12.583 ( 2.531 -1.131 -2.372) 3.649 12.931 ( 1.415 -11.941 2.259) 12.235 13.163 ( -10.540 24.328 -5.243) 27.026 13.439 ( -3.987 8.694 2.237) 9.823 14.832 ( 14.708 0.177 4.589) 15.408 14.906 ( -6.333 1.351 3.682) 7.450 15.225 ( -3.533 2.374 3.714) 5.649 15.351 ( 10.007 -15.716 -6.972) 19.893 15.702 ( 5.757 -2.200 -11.175) 12.762 16.361 ( 3.461 -3.321 -5.703) 7.452 16.626 ( -5.658 0.182 3.667) 6.745 17.184 ( -0.539 -18.663 20.226) 27.526 18.044 ( -18.430 -5.798 9.487) 21.524 18.235 ( -1.346 -1.844 -3.165) 3.902 18.478 ( 3.760 -3.051 -4.067) 6.324 18.618 ( -18.903 10.788 5.230) 22.384 19.006 ( 7.319 -5.396 9.396) 13.076 20.979 ( 11.844 -16.405 -20.462) 28.777 22.270 ( -15.790 15.482 24.936) 33.329 24.309 ( 8.669 -10.329 -1.635) 13.584 24.708 ( 0.553 5.359 -11.057) 12.300 25.488 ( 2.932 -1.951 -11.780) 12.295 ======================= Grid point 72 (30/125) ======================= q-point: ( 0.29 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 5.590 18.083 11.912) 22.364 1.421 ( -8.263 7.893 23.136) 25.804 1.563 ( 13.706 4.646 20.164) 24.820 1.915 ( 9.848 3.877 5.932) 12.133 2.245 ( 6.568 2.451 16.016) 17.483 2.459 ( 9.446 1.787 4.653) 10.680 2.612 ( 1.051 -2.855 0.449) 3.075 2.752 ( 2.842 3.481 5.968) 7.471 3.038 ( -4.074 0.489 12.761) 13.404 3.233 ( -5.639 -5.435 -6.142) 9.953 3.376 ( -4.223 -0.216 -0.572) 4.267 3.535 ( -0.935 -0.424 1.408) 1.743 3.660 ( -4.944 -3.104 4.424) 7.325 3.791 ( -2.572 -4.275 1.835) 5.316 3.880 ( -6.579 -1.374 -5.604) 8.751 4.060 ( -1.417 -4.980 2.309) 5.669 4.310 ( 2.681 3.411 -4.481) 6.237 4.494 ( 5.756 3.548 -0.552) 6.784 4.868 ( 0.353 -1.954 4.897) 5.284 4.971 ( 2.061 0.394 6.443) 6.776 5.232 ( -2.397 -7.120 0.769) 7.552 5.535 ( 1.536 5.020 -9.987) 11.283 5.595 ( 1.730 6.452 -5.902) 8.913 5.908 ( 4.206 4.288 2.997) 6.713 6.005 ( 2.759 0.738 6.356) 6.968 6.520 ( 7.163 -1.795 3.623) 8.225 6.711 ( -0.057 -2.451 4.099) 4.776 6.812 ( -14.792 -4.131 18.503) 24.047 7.503 ( -1.618 -6.338 -4.502) 7.941 7.665 ( 0.953 1.515 -2.566) 3.128 7.877 ( -5.224 1.934 -1.725) 5.832 7.942 ( -2.375 1.244 -4.395) 5.148 8.087 ( 0.659 11.569 1.395) 11.671 8.183 ( -0.039 13.888 0.249) 13.890 8.402 ( -3.404 4.797 -4.109) 7.176 8.692 ( -0.880 0.948 11.278) 11.352 8.844 ( 3.682 -5.063 2.479) 6.733 9.105 ( -4.576 7.373 -5.401) 10.221 9.398 ( 2.590 -5.940 3.040) 7.157 9.555 ( 5.553 -0.538 -0.166) 5.581 9.690 ( -0.860 1.197 -8.826) 8.948 10.030 ( -9.639 16.047 2.950) 18.950 10.264 ( -9.995 5.594 -8.317) 14.155 10.442 ( 1.789 -4.022 -11.126) 11.966 10.799 ( -1.132 4.808 14.761) 15.566 11.201 ( -0.565 -1.406 5.242) 5.456 11.284 ( -1.202 1.128 7.232) 7.418 11.898 ( 8.828 -13.506 3.604) 16.533 12.246 ( 0.305 -3.834 -5.223) 6.486 12.486 ( -2.029 0.712 -1.828) 2.823 12.617 ( -0.154 -2.460 -1.613) 2.945 13.013 ( 2.622 6.311 3.175) 7.535 13.089 ( 6.821 0.518 1.740) 7.058 13.474 ( 6.240 0.269 1.654) 6.461 14.692 ( -17.218 -2.526 6.394) 18.540 15.065 ( 3.311 -5.366 2.285) 6.707 15.185 ( -1.319 2.507 2.457) 3.750 15.473 ( 14.885 -4.195 -8.082) 17.450 15.857 ( 10.897 -3.823 -5.097) 12.623 16.353 ( -3.136 -0.995 -6.107) 6.937 16.540 ( -3.658 -0.835 -2.741) 4.646 17.217 ( -3.328 -17.514 20.000) 26.792 17.741 ( -16.613 -4.090 9.922) 19.778 18.207 ( -2.258 2.849 0.865) 3.737 18.274 ( -10.004 9.870 -3.239) 14.422 18.616 ( 4.693 -4.191 0.296) 6.299 19.155 ( 3.952 -7.183 9.292) 12.391 21.069 ( 6.270 -9.226 -19.577) 22.532 22.087 ( -12.144 17.471 21.781) 30.449 24.428 ( 5.346 -9.656 -4.332) 11.857 24.662 ( -1.307 3.418 -8.832) 9.560 25.504 ( 3.248 -1.178 -11.564) 12.069 ======================= Grid point 73 (31/125) ======================= q-point: ( 0.43 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -0.298 17.932 8.568) 19.876 1.345 ( -5.806 7.008 23.005) 24.739 1.829 ( 4.687 3.582 28.659) 29.259 2.047 ( 1.353 6.825 4.573) 8.326 2.350 ( -0.056 -8.551 4.942) 9.876 2.586 ( -2.995 -3.404 3.006) 5.440 2.628 ( 10.878 -2.489 -3.672) 11.748 2.913 ( 4.232 2.195 2.213) 5.256 3.035 ( -5.810 5.278 7.946) 11.169 3.100 ( -5.705 -2.288 3.028) 6.852 3.270 ( -1.019 3.736 1.776) 4.260 3.441 ( -8.098 -4.147 2.530) 9.443 3.606 ( -1.418 2.876 -3.349) 4.637 3.738 ( -2.363 -2.577 6.655) 7.518 3.830 ( 1.934 -5.702 -4.199) 7.341 4.065 ( 0.200 -7.070 4.876) 8.591 4.377 ( 5.041 6.804 -2.784) 8.914 4.586 ( 2.869 7.268 2.516) 8.209 4.876 ( -0.606 -2.139 9.588) 9.842 5.060 ( 3.796 3.420 1.909) 5.454 5.180 ( -3.260 -10.349 0.670) 10.871 5.516 ( 0.913 4.208 -11.693) 12.461 5.611 ( 2.046 6.803 -4.521) 8.420 5.992 ( 1.967 7.736 9.347) 12.291 6.033 ( -1.353 -1.082 0.968) 1.985 6.556 ( -15.067 0.150 10.241) 18.219 6.641 ( 2.568 -2.887 2.160) 4.427 6.702 ( -2.106 -1.773 3.475) 4.433 7.505 ( 2.718 -0.390 -3.597) 4.525 7.628 ( -3.596 -1.970 -1.244) 4.285 7.804 ( -1.887 -5.117 -4.073) 6.807 7.940 ( 4.011 2.921 -4.234) 6.523 8.103 ( 0.653 11.544 -1.858) 11.711 8.183 ( -0.951 12.607 3.470) 13.110 8.333 ( -1.362 7.033 0.722) 7.200 8.718 ( -1.062 7.328 6.539) 9.878 8.920 ( 2.524 -4.913 0.948) 5.604 9.050 ( 1.020 2.303 -12.360) 12.614 9.378 ( -0.878 -7.935 -2.696) 8.427 9.528 ( -5.619 6.105 -3.469) 8.993 9.701 ( -8.165 -2.130 -4.149) 9.403 9.953 ( 11.803 11.072 4.693) 16.850 10.130 ( -2.047 14.540 -8.382) 16.908 10.486 ( 3.714 -7.966 -1.617) 8.937 10.814 ( -2.077 6.374 9.237) 11.413 11.207 ( -1.702 -3.460 9.272) 10.042 11.305 ( 0.134 -1.103 9.034) 9.102 12.078 ( 9.562 -13.306 -0.287) 16.388 12.146 ( -7.113 -6.376 -6.488) 11.548 12.457 ( -0.446 1.769 0.779) 1.983 12.599 ( -0.709 -5.090 4.221) 6.651 13.062 ( 3.036 11.251 2.313) 11.881 13.258 ( 4.660 -4.048 4.619) 7.709 13.643 ( 9.311 -5.333 -0.316) 10.734 14.363 ( -17.522 -4.362 3.937) 18.481 15.028 ( -2.868 -8.900 -3.593) 10.017 15.195 ( 0.779 2.911 3.927) 4.950 15.841 ( 22.027 1.253 -5.248) 22.678 16.048 ( 9.770 -2.693 7.757) 12.762 16.181 ( -12.469 -0.735 -5.853) 13.794 16.459 ( -3.299 -1.227 -9.355) 9.996 17.240 ( -1.455 -17.895 20.492) 27.244 17.505 ( -11.915 -0.668 8.526) 14.666 18.108 ( -4.113 15.313 1.207) 15.902 18.232 ( 1.952 -3.208 -3.342) 5.027 18.672 ( 1.241 -4.165 -1.444) 4.580 19.210 ( -1.442 -8.404 7.280) 11.211 21.088 ( 3.495 -6.428 -18.918) 20.284 21.977 ( -7.565 17.318 18.812) 26.665 24.490 ( 3.596 -7.255 -6.088) 10.130 24.602 ( -1.687 1.256 -8.191) 8.457 25.522 ( 2.924 -0.815 -10.993) 11.405 ======================= Grid point 74 (32/125) ======================= q-point: (-0.43 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -10.699 9.032 15.033) 20.543 1.377 ( -4.096 19.026 17.481) 26.160 1.915 ( -7.716 -2.558 24.444) 25.760 2.028 ( -4.680 3.311 12.477) 13.731 2.324 ( -3.976 0.546 2.130) 4.543 2.513 ( -6.012 -2.732 2.948) 7.232 2.736 ( -8.913 2.804 6.133) 11.177 2.859 ( -2.459 0.397 0.421) 2.526 2.888 ( -5.354 5.341 -6.134) 9.738 3.075 ( 7.921 4.519 -5.210) 10.503 3.280 ( -2.454 -2.769 -1.874) 4.148 3.452 ( 3.526 -2.013 14.625) 15.179 3.588 ( 0.968 0.327 -2.802) 2.983 3.770 ( 3.408 -6.186 5.596) 9.011 3.875 ( 3.169 -3.901 -1.476) 5.238 4.088 ( -0.164 -3.648 5.656) 6.732 4.443 ( 2.040 2.660 -0.851) 3.458 4.607 ( -1.566 9.954 3.934) 10.818 4.911 ( 0.147 -6.546 8.729) 10.912 5.100 ( -1.214 -2.695 1.822) 3.472 5.151 ( 0.955 -6.238 3.543) 7.237 5.491 ( 1.149 3.446 -11.509) 12.068 5.644 ( 3.462 7.487 -5.334) 9.823 5.957 ( -4.967 -3.552 -7.186) 9.430 6.038 ( -2.375 10.172 17.582) 20.450 6.324 ( -11.198 3.288 2.615) 11.960 6.634 ( -4.062 -1.553 1.131) 4.494 6.703 ( 0.233 -0.062 3.342) 3.351 7.511 ( -1.753 1.582 -3.537) 4.253 7.580 ( 0.109 -4.429 -0.650) 4.478 7.786 ( 2.110 -6.433 -3.689) 7.710 8.031 ( 4.906 5.201 -1.664) 7.341 8.109 ( 2.258 10.130 -6.509) 12.251 8.155 ( -0.741 12.347 -0.062) 12.369 8.387 ( 3.168 6.384 11.417) 13.459 8.685 ( -3.834 7.923 3.698) 9.547 8.891 ( -5.347 1.377 -3.258) 6.411 9.036 ( 1.844 -5.251 -11.216) 12.521 9.356 ( 0.920 -1.638 -6.482) 6.749 9.437 ( -2.028 -0.357 -1.608) 2.613 9.616 ( 2.330 6.562 -6.292) 9.385 10.058 ( 2.168 11.938 -6.553) 13.790 10.292 ( 15.507 6.204 5.326) 17.531 10.513 ( -4.405 -4.789 11.532) 13.241 10.818 ( 2.468 3.865 -2.200) 5.086 11.187 ( -4.344 -6.415 12.907) 15.054 11.363 ( 1.640 -1.433 10.824) 11.041 11.963 ( -8.957 -3.315 -6.774) 11.709 12.267 ( 10.425 -12.476 -1.607) 16.338 12.465 ( 0.812 -0.498 -0.042) 0.953 12.638 ( 2.671 -6.402 6.842) 9.743 13.123 ( -0.314 6.102 5.049) 7.926 13.277 ( -1.574 1.286 4.679) 5.101 13.655 ( -10.613 -8.965 2.728) 14.158 14.226 ( 4.966 -0.810 -3.303) 6.019 14.988 ( -0.087 -6.954 -3.340) 7.715 15.219 ( -0.860 4.179 3.848) 5.745 15.895 ( -13.933 -2.996 -2.297) 14.435 16.119 ( 7.409 -6.206 -2.078) 9.886 16.311 ( 9.541 -2.318 -12.107) 15.588 16.355 ( 1.537 1.419 9.364) 9.594 17.233 ( -10.315 -14.823 20.327) 27.190 17.454 ( 6.492 -0.091 7.723) 10.090 18.099 ( 2.448 14.819 1.463) 15.090 18.280 ( 4.328 -1.597 -1.649) 4.899 18.651 ( -2.405 -4.029 -3.321) 5.749 19.154 ( -6.739 -9.614 4.702) 12.648 21.065 ( 1.336 -6.519 -19.468) 20.574 21.939 ( -3.621 18.755 17.771) 26.089 24.523 ( 0.551 -9.079 -3.465) 9.734 24.545 ( 0.855 3.180 -12.143) 12.581 25.531 ( 2.174 -0.942 -10.612) 10.873 ======================= Grid point 75 (33/125) ======================= q-point: (-0.29 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -12.557 12.814 14.820) 23.270 1.263 ( -15.799 16.593 11.422) 25.600 1.749 ( -14.118 1.479 16.058) 21.433 1.955 ( -13.469 5.026 36.131) 38.886 2.192 ( -11.558 15.772 6.286) 20.539 2.382 ( -7.620 -4.189 0.525) 8.712 2.574 ( -7.214 4.516 3.538) 9.217 2.737 ( 0.699 2.908 -2.296) 3.770 2.990 ( 6.294 -2.785 0.724) 6.921 3.186 ( 5.574 0.122 -8.966) 10.558 3.326 ( 7.453 4.251 0.165) 8.582 3.508 ( -1.628 -4.588 11.291) 12.296 3.610 ( 1.356 -1.849 2.324) 3.264 3.868 ( 3.206 -8.635 4.628) 10.308 3.895 ( -1.240 -3.866 -4.385) 5.976 4.092 ( -0.917 0.794 2.136) 2.456 4.431 ( -3.374 -2.233 2.444) 4.727 4.596 ( 0.127 3.809 0.817) 3.897 4.914 ( -3.251 -8.619 9.967) 13.572 5.098 ( 1.275 -8.718 -0.823) 8.849 5.187 ( -0.001 -2.558 6.809) 7.274 5.474 ( 1.039 1.718 -10.402) 10.594 5.691 ( 3.028 6.493 -6.379) 9.592 5.820 ( -6.034 -3.424 -7.839) 10.468 6.054 ( -2.832 8.235 15.944) 18.168 6.175 ( -4.913 8.329 8.324) 12.759 6.519 ( -6.991 2.298 -0.866) 7.410 6.691 ( -3.305 -0.592 2.903) 4.438 7.473 ( -0.083 -1.548 -3.902) 4.198 7.607 ( 2.401 1.452 1.753) 3.308 7.841 ( 3.677 -0.817 -1.860) 4.201 8.024 ( -0.332 4.884 -4.607) 6.722 8.173 ( 3.843 13.144 -1.242) 13.750 8.236 ( 9.006 2.563 -4.636) 10.448 8.468 ( -0.245 5.715 14.011) 15.134 8.585 ( -9.536 3.349 2.430) 10.395 8.811 ( 1.454 1.457 -5.777) 6.132 9.042 ( 2.731 -3.168 -0.221) 4.188 9.400 ( 4.603 3.871 -7.523) 9.631 9.421 ( 0.827 -2.573 2.147) 3.452 9.654 ( 4.245 10.677 -12.325) 16.851 10.147 ( 9.836 4.157 -9.289) 14.154 10.400 ( -10.907 -1.736 12.232) 16.480 10.576 ( 11.767 5.971 7.876) 15.367 10.892 ( 5.421 0.620 -2.538) 6.018 11.156 ( -5.093 -7.899 16.273) 18.792 11.418 ( -0.401 -0.271 10.795) 10.806 11.774 ( -7.862 -1.081 -6.817) 10.462 12.406 ( 0.559 -10.323 -1.342) 10.424 12.481 ( 2.963 -2.876 -1.584) 4.423 12.764 ( 8.931 -5.931 5.000) 11.829 12.984 ( -13.354 -4.581 4.478) 14.812 13.339 ( -1.623 3.531 -3.700) 5.366 13.489 ( 2.054 1.727 19.517) 19.701 14.367 ( 8.862 2.861 -10.839) 14.289 14.947 ( -6.261 0.853 -1.896) 6.597 15.171 ( -3.373 -0.884 3.486) 4.931 15.729 ( -3.214 -6.541 1.241) 7.393 16.016 ( -12.634 -7.811 -21.043) 25.757 16.294 ( 1.808 -4.893 -3.078) 6.057 16.633 ( 10.669 0.292 13.833) 17.472 17.094 ( -10.289 -11.661 17.440) 23.366 17.715 ( 15.586 -2.677 13.627) 20.875 18.200 ( 6.972 10.896 3.364) 13.366 18.399 ( 9.473 4.402 0.465) 10.456 18.575 ( -3.335 -2.439 -3.924) 5.698 18.996 ( -11.279 -11.069 2.045) 15.934 20.986 ( -2.175 -9.662 -21.275) 23.467 21.977 ( 0.822 22.365 19.593) 29.745 24.453 ( -4.982 -8.763 -2.931) 10.498 24.576 ( 5.478 2.847 -13.613) 14.947 25.525 ( 1.348 -1.465 -10.661) 10.845 ======================= Grid point 76 (34/125) ======================= q-point: (-0.14 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -22.810 14.730 4.461) 27.517 0.908 ( -10.304 17.547 17.998) 27.166 1.630 ( -8.580 26.101 36.988) 46.076 1.809 ( -15.257 4.686 35.194) 38.644 1.962 ( -12.670 8.681 2.523) 15.565 2.289 ( -2.900 0.116 1.290) 3.176 2.528 ( 0.682 -4.643 1.415) 4.902 2.790 ( 3.518 2.936 -0.844) 4.659 3.121 ( 6.486 -4.328 4.326) 8.918 3.270 ( 4.826 -1.670 1.748) 5.398 3.450 ( 3.011 7.011 1.118) 7.712 3.506 ( 0.025 -5.200 3.681) 6.372 3.663 ( 2.961 -4.491 3.102) 6.209 3.772 ( -8.832 -2.704 -3.897) 10.025 3.910 ( 0.036 -6.921 6.229) 9.312 4.078 ( -0.220 1.115 -0.608) 1.289 4.363 ( -4.308 -7.588 1.288) 8.820 4.587 ( -1.005 0.100 -4.389) 4.504 4.896 ( -4.037 -7.290 11.496) 14.198 5.114 ( 0.798 -9.592 -1.993) 9.829 5.206 ( 1.141 -3.291 2.136) 4.086 5.444 ( -1.805 -2.534 -0.536) 3.157 5.675 ( -2.777 2.577 -8.189) 9.023 5.700 ( -2.004 1.695 -8.013) 8.432 6.004 ( -3.845 9.027 1.222) 9.888 6.260 ( 2.522 3.109 20.982) 21.360 6.447 ( 1.228 1.128 6.370) 6.585 6.646 ( -0.381 -1.382 8.183) 8.307 7.462 ( 0.153 2.611 -3.931) 4.721 7.683 ( 3.708 1.882 6.599) 7.800 7.903 ( 4.915 5.876 -2.188) 7.967 8.050 ( 3.489 -1.210 -5.025) 6.236 8.239 ( 3.451 12.489 -0.596) 12.971 8.333 ( -1.985 0.303 -3.279) 3.845 8.402 ( -5.649 0.091 -3.186) 6.486 8.521 ( 2.125 10.317 14.008) 17.527 8.806 ( -1.757 -8.151 -1.828) 8.536 9.194 ( 7.969 -0.319 7.738) 11.112 9.431 ( 2.686 -1.411 -0.613) 3.096 9.491 ( 5.358 3.400 -3.056) 7.043 9.705 ( 6.679 9.543 -10.434) 15.638 10.227 ( -7.317 -1.354 2.661) 7.902 10.338 ( 11.208 3.485 -7.426) 13.890 10.787 ( 6.944 4.570 10.402) 13.316 10.978 ( 3.599 -0.442 -0.017) 3.626 11.076 ( -8.706 -5.360 11.119) 15.105 11.411 ( -5.254 3.414 9.256) 11.177 11.674 ( 1.066 -1.672 -2.960) 3.563 12.249 ( -16.473 -13.556 3.322) 21.591 12.535 ( 2.152 -2.174 -3.304) 4.502 12.754 ( -11.641 -4.388 3.127) 12.828 12.922 ( 2.277 -9.796 0.381) 10.064 13.285 ( 5.188 3.329 -3.029) 6.869 13.882 ( 23.039 6.074 23.856) 33.717 14.366 ( -3.266 14.693 -26.881) 30.808 14.741 ( -11.733 0.509 1.080) 11.793 15.172 ( 0.185 -2.720 4.370) 5.150 15.550 ( -20.288 -3.463 -15.885) 25.999 15.765 ( -0.899 -4.155 -1.397) 4.475 16.296 ( 0.332 -7.234 -4.235) 8.389 16.782 ( -0.529 2.999 8.163) 8.713 17.024 ( -3.218 -17.631 21.616) 28.079 18.046 ( 11.420 -5.530 9.823) 16.046 18.340 ( 4.783 -3.158 1.773) 6.000 18.542 ( 3.314 0.370 2.414) 4.117 18.679 ( 3.909 4.087 7.929) 9.739 18.810 ( 6.627 -3.603 -2.057) 7.818 20.823 ( -5.680 -16.307 -21.586) 27.643 22.140 ( 8.455 23.506 25.182) 35.471 24.308 ( -9.656 -8.942 -1.234) 13.218 24.642 ( 6.891 5.383 -14.873) 17.254 25.505 ( 0.860 -2.180 -11.013) 11.260 ======================= Grid point 77 (35/125) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 1.406 21.286 6.184) 22.210 1.321 ( 3.119 17.209 10.459) 20.378 1.723 ( -8.834 4.951 24.643) 26.642 1.906 ( -5.944 7.612 -3.718) 10.348 2.167 ( 2.270 2.947 12.789) 13.319 2.417 ( -1.571 9.159 0.066) 9.293 2.666 ( -1.118 25.454 13.777) 28.965 2.828 ( -1.021 -2.202 2.017) 3.156 3.056 ( 0.761 -8.869 -2.156) 9.159 3.260 ( -1.793 -3.709 7.919) 8.926 3.324 ( -1.213 -3.642 -1.336) 4.064 3.545 ( -0.191 -9.879 0.406) 9.890 3.559 ( -0.570 -2.913 4.631) 5.500 3.737 ( -2.577 1.338 3.251) 4.359 3.904 ( 0.315 -9.949 6.751) 12.028 3.963 ( 8.594 3.453 3.775) 10.002 4.215 ( -2.057 -2.899 -2.725) 4.479 4.530 ( 3.467 -3.340 -2.900) 5.620 4.688 ( -8.130 -3.440 1.834) 9.016 4.965 ( -3.619 -2.109 3.342) 5.359 5.221 ( 0.339 0.770 2.141) 2.301 5.416 ( 3.432 -2.521 10.016) 10.884 5.687 ( 0.915 4.725 -5.844) 7.570 5.773 ( 1.769 5.252 -5.506) 7.812 6.079 ( -2.208 3.955 -4.406) 6.319 6.323 ( 0.719 -0.767 -1.336) 1.700 6.474 ( 0.697 2.047 10.683) 10.900 6.708 ( 1.356 -3.204 21.589) 21.868 7.545 ( -0.752 5.548 -4.013) 6.888 7.848 ( 1.621 6.616 2.633) 7.303 8.018 ( 2.691 -2.401 -5.520) 6.594 8.125 ( 0.467 -3.647 -1.536) 3.985 8.190 ( -8.217 2.565 3.177) 9.176 8.330 ( 5.759 2.488 1.456) 6.440 8.444 ( -0.854 3.408 -3.304) 4.822 8.791 ( -2.833 10.213 1.470) 10.700 8.851 ( 2.431 9.883 1.390) 10.272 9.157 ( -5.218 -0.696 1.688) 5.528 9.465 ( 6.004 -4.154 3.065) 7.918 9.577 ( -5.066 -0.895 2.816) 5.865 9.807 ( 8.759 -2.249 -2.534) 9.392 10.014 ( -10.666 -2.843 4.212) 11.815 10.643 ( 5.726 6.834 -4.930) 10.188 10.966 ( -2.819 9.608 3.161) 10.500 11.034 ( -6.746 6.375 3.711) 9.996 11.078 ( 9.869 0.486 -2.780) 10.265 11.386 ( -8.169 5.077 3.575) 10.261 11.807 ( -11.035 2.419 1.418) 11.386 11.845 ( 9.303 2.982 6.298) 11.623 12.478 ( -0.106 -4.876 -3.843) 6.209 12.555 ( -3.987 -1.503 -4.302) 6.055 12.727 ( 0.100 -6.964 1.600) 7.146 13.559 ( 3.809 7.076 1.529) 8.181 13.953 ( -16.139 4.375 -0.533) 16.729 14.592 ( 2.796 -1.702 3.502) 4.794 14.783 ( 19.014 1.581 -9.173) 21.170 15.097 ( -6.359 -2.900 5.990) 9.205 15.348 ( -2.310 4.269 -0.133) 4.856 15.616 ( -3.952 -6.707 -0.165) 7.786 16.175 ( 5.082 -7.852 -5.842) 11.028 16.698 ( -6.391 -5.301 5.934) 10.206 16.778 ( -1.050 -11.920 20.538) 23.769 18.052 ( 6.296 -12.091 0.237) 13.634 18.218 ( -14.553 -7.132 1.810) 16.308 18.362 ( 0.333 2.274 -1.116) 2.555 18.713 ( 9.148 -0.484 7.283) 11.703 19.112 ( -4.121 4.354 -6.685) 8.979 20.358 ( 9.752 -19.289 -13.262) 25.359 22.695 ( -1.581 17.593 12.569) 21.679 24.051 ( -0.851 -8.099 3.111) 8.718 24.807 ( 4.146 4.454 -13.130) 14.471 25.412 ( 1.921 -4.769 -11.822) 12.892 ======================= Grid point 78 (36/125) ======================= q-point: ( 0.14 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 12.737 11.448 7.340) 18.633 1.459 ( 7.187 13.585 11.369) 19.117 1.655 ( -7.481 8.395 24.218) 26.701 1.881 ( 3.771 9.389 0.458) 10.129 2.278 ( 5.371 -1.639 3.273) 6.500 2.403 ( -0.564 8.730 4.732) 9.946 2.644 ( -4.836 7.329 5.474) 10.347 2.835 ( 0.347 10.166 7.177) 12.449 3.033 ( -1.786 -9.281 -4.994) 10.690 3.212 ( -4.421 -3.097 7.331) 9.104 3.342 ( 1.212 -0.280 1.621) 2.044 3.525 ( -2.096 -9.675 2.478) 10.205 3.589 ( 0.359 -0.998 9.995) 10.051 3.688 ( -1.773 -6.065 -2.574) 6.823 3.966 ( 2.224 -3.144 3.844) 5.441 4.087 ( -0.342 5.463 4.584) 7.140 4.201 ( 2.319 -4.181 -3.269) 5.792 4.514 ( -1.046 0.468 -5.109) 5.236 4.703 ( 8.021 -3.677 5.535) 10.416 4.919 ( -1.387 -1.164 2.446) 3.043 5.199 ( -3.156 -0.221 3.567) 4.768 5.571 ( 8.442 -2.910 2.098) 9.172 5.697 ( 2.087 5.191 -5.496) 7.843 5.799 ( 2.801 4.580 -4.429) 6.960 6.051 ( 0.069 4.160 1.762) 4.518 6.379 ( 4.771 0.225 1.792) 5.101 6.563 ( 4.118 -2.476 9.287) 10.456 6.770 ( -3.488 -5.487 19.963) 20.995 7.492 ( -3.195 1.539 -5.671) 6.689 7.805 ( -5.603 5.584 0.571) 7.932 7.978 ( -4.848 -1.337 -2.915) 5.813 8.086 ( -0.522 0.904 6.009) 6.099 8.208 ( 6.224 -4.106 -4.229) 8.572 8.358 ( -6.179 5.756 -4.762) 9.695 8.475 ( 6.921 6.959 0.698) 9.840 8.750 ( -3.224 10.978 7.367) 13.608 8.842 ( -1.810 4.551 -4.613) 6.728 9.177 ( 7.554 -0.128 0.392) 7.565 9.414 ( -10.921 3.769 7.929) 14.012 9.546 ( 0.576 -0.574 -3.177) 3.280 9.832 ( -8.983 -3.700 1.647) 9.854 10.023 ( 12.763 -4.718 -2.637) 13.860 10.639 ( -4.604 14.097 -4.867) 15.608 10.766 ( -18.879 8.494 3.330) 20.968 10.939 ( -1.163 11.154 1.637) 11.333 11.183 ( 0.813 0.760 6.501) 6.595 11.291 ( -2.526 -0.140 0.539) 2.587 11.672 ( -1.156 0.630 2.795) 3.090 12.152 ( 13.049 3.436 1.075) 13.536 12.435 ( 0.773 -3.998 -3.705) 5.506 12.550 ( 3.638 -1.953 -3.920) 5.693 12.729 ( -0.944 -8.265 2.627) 8.724 13.471 ( -8.992 4.878 6.226) 11.975 13.605 ( -15.866 10.626 -5.093) 19.763 14.792 ( 2.288 -6.661 3.402) 7.822 14.952 ( -1.543 4.567 3.037) 5.698 15.059 ( 12.514 -11.465 -3.679) 17.366 15.308 ( -4.985 4.139 3.342) 7.290 15.608 ( 6.718 -5.290 -5.814) 10.340 16.273 ( 5.759 -5.841 -4.518) 9.365 16.598 ( -5.976 -3.148 5.393) 8.643 16.852 ( 0.342 -13.816 18.762) 23.303 17.905 ( -14.742 -7.746 2.784) 16.884 18.195 ( 3.616 -4.530 -2.090) 6.162 18.361 ( 1.486 -3.751 -1.990) 4.499 18.836 ( -16.693 8.951 -5.768) 19.800 18.907 ( 6.828 -2.741 10.229) 12.600 20.607 ( 16.709 -19.369 -13.567) 28.956 22.627 ( -9.492 18.451 12.815) 24.388 24.108 ( 4.901 -10.210 1.515) 11.426 24.799 ( 0.081 4.330 -11.366) 12.163 25.422 ( 3.655 -4.573 -12.080) 13.424 ======================= Grid point 79 (37/125) ======================= q-point: ( 0.29 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 5.666 7.515 10.159) 13.848 1.569 ( -3.709 6.315 15.866) 17.475 1.731 ( 9.037 10.566 18.080) 22.808 2.018 ( 7.673 7.844 5.746) 12.386 2.307 ( -1.840 -0.350 0.747) 2.017 2.481 ( 6.667 1.211 -0.567) 6.799 2.576 ( -2.939 0.205 1.251) 3.201 2.870 ( -0.944 5.286 8.907) 10.400 2.982 ( 0.240 -4.518 -3.324) 5.614 3.171 ( -2.318 0.252 3.760) 4.424 3.349 ( -1.812 -2.712 3.032) 4.453 3.486 ( -3.250 -5.502 5.671) 8.544 3.599 ( -2.648 -6.373 6.077) 9.196 3.709 ( 4.687 2.702 -2.006) 5.770 3.972 ( -9.657 3.738 3.683) 10.991 3.986 ( -1.528 4.155 1.907) 4.821 4.258 ( 3.659 -6.879 -0.487) 7.807 4.596 ( 8.073 3.762 1.414) 9.018 4.839 ( 2.720 0.760 7.569) 8.078 4.980 ( 6.964 -0.732 -0.594) 7.027 5.140 ( -4.233 -0.690 2.594) 5.012 5.660 ( 1.699 5.510 -7.360) 9.350 5.740 ( 4.187 5.430 -6.426) 9.397 5.855 ( 4.650 -4.245 -2.105) 6.639 6.087 ( 1.446 4.537 8.686) 9.905 6.487 ( 4.389 -0.879 5.425) 7.033 6.648 ( 0.066 -3.103 7.653) 8.259 6.722 ( -7.491 -3.938 13.464) 15.903 7.411 ( -1.603 -2.446 -3.695) 4.712 7.697 ( -6.062 1.552 -2.143) 6.614 7.900 ( -1.700 0.838 0.372) 1.932 8.079 ( -4.295 8.509 -4.282) 10.449 8.246 ( -0.043 1.606 3.482) 3.835 8.330 ( 6.063 -4.361 -4.747) 8.849 8.527 ( -2.017 9.153 0.715) 9.400 8.745 ( 2.445 7.884 -0.757) 8.289 8.832 ( 1.909 5.783 0.716) 6.132 9.237 ( -7.147 5.623 -1.530) 9.222 9.356 ( 1.714 0.823 4.512) 4.896 9.523 ( 4.428 -3.126 -0.666) 5.461 9.729 ( -2.305 2.407 -0.525) 3.374 10.203 ( 6.097 -6.516 -12.506) 15.363 10.372 ( -14.114 15.404 4.869) 21.452 10.584 ( -5.592 14.209 -1.944) 15.393 10.945 ( -0.127 9.938 7.251) 12.302 11.184 ( -2.682 -0.169 3.915) 4.749 11.254 ( -2.748 -3.182 7.717) 8.788 11.715 ( 4.262 -4.873 -0.248) 6.479 12.187 ( -4.785 -1.998 -3.693) 6.366 12.480 ( -0.770 -1.175 0.080) 1.407 12.567 ( -1.808 -2.927 0.113) 3.443 12.879 ( 16.878 -6.081 6.187) 18.977 13.332 ( -7.804 11.104 -1.994) 13.717 13.435 ( -0.350 -3.139 2.994) 4.352 14.551 ( -19.017 -12.077 2.734) 22.693 14.924 ( -6.563 -8.703 -1.213) 10.967 15.246 ( -0.479 2.712 0.962) 2.918 15.438 ( 24.562 2.212 -1.236) 24.693 15.777 ( 10.559 -3.525 -0.891) 11.168 16.308 ( -1.291 -3.383 -4.060) 5.440 16.512 ( -4.552 -2.002 0.922) 5.057 16.906 ( -2.181 -12.523 19.393) 23.188 17.673 ( -11.092 -3.015 4.772) 12.446 18.189 ( -1.562 -0.826 -3.587) 3.998 18.404 ( 1.279 -7.273 -4.473) 8.634 18.569 ( -7.737 6.125 -1.117) 9.931 19.034 ( 2.526 -2.873 9.095) 9.867 20.803 ( 9.749 -16.829 -15.515) 24.879 22.485 ( -9.549 20.559 12.813) 26.039 24.206 ( 4.649 -12.231 -0.207) 13.087 24.742 ( -1.480 4.782 -10.633) 11.752 25.451 ( 3.916 -4.223 -11.952) 13.267 ======================= Grid point 80 (38/125) ======================= q-point: ( 0.43 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -7.283 7.554 20.338) 22.886 1.626 ( 4.714 8.320 6.934) 11.812 1.922 ( 0.533 5.009 22.137) 22.703 2.100 ( -0.390 1.164 3.466) 3.677 2.317 ( 1.992 2.799 0.483) 3.469 2.525 ( -2.555 -1.394 4.095) 5.023 2.615 ( 8.134 2.032 -5.261) 9.898 2.853 ( -1.221 -6.043 3.034) 6.871 3.043 ( 2.320 -1.849 3.264) 4.411 3.144 ( -0.539 3.387 -2.183) 4.066 3.300 ( -3.916 -4.303 4.204) 7.179 3.449 ( -2.789 4.643 6.100) 8.158 3.594 ( 1.188 -6.230 3.985) 7.490 3.730 ( -4.673 5.458 -5.482) 9.037 3.866 ( -1.522 5.119 10.016) 11.351 3.963 ( -0.919 2.063 5.104) 5.581 4.324 ( 2.951 -8.272 2.060) 9.021 4.757 ( 7.016 3.778 3.060) 8.535 4.872 ( -2.679 1.428 7.238) 7.849 5.047 ( -2.809 0.600 -1.017) 3.048 5.112 ( 3.332 1.609 1.488) 3.988 5.632 ( -0.668 6.133 -9.783) 11.566 5.777 ( 2.850 9.041 -6.625) 11.566 5.909 ( 0.548 -8.817 -3.418) 9.472 6.162 ( 2.328 6.237 10.765) 12.658 6.547 ( -3.120 -3.654 9.891) 10.996 6.563 ( -8.098 -0.571 5.455) 9.781 6.676 ( -0.252 -1.028 5.343) 5.447 7.449 ( 5.794 -3.780 -1.505) 7.080 7.560 ( -6.950 -2.479 -2.095) 7.670 7.850 ( -5.404 4.598 -4.690) 8.505 8.012 ( 2.790 3.180 -2.312) 4.821 8.315 ( 3.245 7.324 2.594) 8.421 8.396 ( 2.234 0.463 -4.202) 4.781 8.482 ( -1.187 10.571 3.222) 11.114 8.811 ( 3.951 4.509 -1.415) 6.160 8.888 ( 2.022 4.952 2.194) 5.781 9.088 ( -7.078 1.470 -7.614) 10.499 9.313 ( -1.058 0.173 3.639) 3.794 9.669 ( 0.256 2.884 -3.820) 4.794 9.695 ( 0.525 5.481 -4.795) 7.301 10.151 ( 5.103 7.650 1.740) 9.359 10.346 ( 0.098 -3.148 -2.297) 3.898 10.482 ( -2.810 17.229 -2.007) 17.572 10.951 ( -3.003 7.485 5.399) 9.706 11.154 ( -2.266 -2.356 9.354) 9.909 11.232 ( -2.270 -3.585 7.645) 8.744 11.829 ( 8.488 -9.052 -1.397) 12.488 12.052 ( -7.388 -4.063 -1.552) 8.573 12.423 ( -2.257 -6.006 -0.198) 6.419 12.556 ( -1.785 1.655 4.591) 5.196 13.181 ( 8.461 -0.831 5.817) 10.302 13.254 ( 0.844 6.209 -0.825) 6.320 13.494 ( 3.682 -8.731 0.961) 9.524 14.208 ( -15.134 -11.236 0.297) 18.852 14.807 ( -3.630 -13.180 -2.307) 13.864 15.268 ( 1.897 4.292 2.524) 5.329 15.865 ( 18.793 1.893 -4.081) 19.324 15.957 ( 7.039 -6.651 7.103) 12.010 16.179 ( -9.222 1.046 -5.536) 10.807 16.431 ( -4.070 -1.208 -1.976) 4.683 16.938 ( -1.380 -11.081 21.002) 23.786 17.527 ( -6.585 1.940 6.234) 9.273 18.161 ( 0.686 -2.949 -3.935) 4.965 18.348 ( -1.453 6.044 -5.387) 8.226 18.537 ( 0.449 -7.874 -0.432) 7.899 19.063 ( -2.592 -3.747 6.750) 8.143 20.870 ( 4.072 -15.268 -16.760) 23.035 22.387 ( -5.442 21.831 12.572) 25.773 24.271 ( 2.334 -13.239 -0.498) 13.453 24.679 ( -0.592 5.660 -11.604) 12.924 25.475 ( 3.122 -4.055 -11.616) 12.693 ======================= Grid point 81 (39/125) ======================= q-point: (-0.43 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -8.007 9.478 15.083) 19.530 1.724 ( 0.393 10.942 11.962) 16.217 1.850 ( -11.436 -0.872 11.026) 15.910 2.131 ( -1.637 6.906 14.395) 16.049 2.334 ( 0.882 -1.565 1.313) 2.225 2.482 ( -3.664 -0.193 3.038) 4.764 2.744 ( 4.457 3.100 0.752) 5.481 2.871 ( 0.938 -3.350 2.158) 4.094 2.980 ( -6.801 2.182 -0.921) 7.201 3.163 ( 3.362 3.261 -5.679) 7.362 3.263 ( -1.741 -0.754 6.106) 6.394 3.453 ( -1.126 1.801 9.200) 9.442 3.615 ( -2.109 -4.769 -3.809) 6.458 3.640 ( 0.653 5.184 3.736) 6.423 3.895 ( 0.707 1.363 9.168) 9.296 4.000 ( 1.302 0.440 4.008) 4.237 4.375 ( 1.051 -8.469 3.332) 9.161 4.792 ( -6.795 -6.571 9.120) 13.135 4.808 ( -5.389 7.406 1.524) 9.285 5.020 ( 2.699 3.439 -3.462) 5.576 5.159 ( 0.098 0.805 3.779) 3.865 5.575 ( -1.732 3.580 -9.623) 10.412 5.805 ( 2.108 7.230 -6.514) 9.957 5.849 ( -3.487 -5.426 -6.162) 8.920 6.214 ( -1.551 6.405 10.985) 12.811 6.401 ( -8.492 4.063 9.613) 13.455 6.547 ( -1.130 -5.951 1.456) 6.230 6.717 ( 0.638 0.986 6.684) 6.787 7.432 ( -3.545 -4.021 -1.301) 5.516 7.587 ( 7.062 0.050 -0.783) 7.105 7.743 ( -2.047 0.730 -4.947) 5.403 8.112 ( 7.027 3.245 -2.218) 8.051 8.309 ( -3.123 8.797 -3.554) 9.989 8.395 ( -0.033 3.978 -4.736) 6.185 8.540 ( 2.916 10.107 10.065) 14.559 8.836 ( -3.471 9.782 2.474) 10.670 8.907 ( 0.596 0.365 1.467) 1.625 8.957 ( -2.211 -1.092 -8.608) 8.954 9.356 ( 2.133 1.613 5.678) 6.276 9.524 ( -4.739 7.579 -8.365) 12.243 9.778 ( 8.387 7.546 -10.959) 15.728 10.216 ( -5.931 2.702 3.339) 7.323 10.433 ( 14.329 4.204 -1.373) 14.995 10.475 ( -1.472 4.100 4.367) 6.168 10.894 ( -1.971 3.746 -0.366) 4.249 11.122 ( -4.652 1.727 11.160) 12.213 11.284 ( 3.510 -4.713 10.844) 12.334 11.911 ( -6.834 -1.939 2.034) 7.389 12.033 ( 12.969 -9.221 -4.161) 16.448 12.410 ( 0.484 -6.276 -3.350) 7.130 12.539 ( -0.714 -1.738 7.072) 7.318 13.171 ( -9.256 1.107 3.982) 10.136 13.368 ( 8.651 5.924 3.956) 11.206 13.435 ( -10.375 -11.863 0.765) 15.778 14.147 ( 8.938 -7.863 -3.047) 12.288 14.796 ( 3.598 -12.464 -2.391) 13.191 15.310 ( -0.336 4.831 3.548) 6.003 15.838 ( -16.148 -1.947 -1.620) 16.346 15.994 ( -1.115 -5.477 -0.047) 5.590 16.239 ( 7.310 -3.604 -8.722) 11.937 16.383 ( 2.303 1.090 9.657) 9.988 16.992 ( -2.822 -8.912 21.504) 23.448 17.499 ( 2.504 3.468 5.161) 6.703 18.190 ( 3.526 -2.500 -2.558) 5.023 18.368 ( 5.613 5.167 -4.536) 8.876 18.526 ( -0.785 -7.373 -2.180) 7.729 18.987 ( -7.431 -3.864 3.827) 9.209 20.839 ( -0.773 -15.689 -17.934) 23.840 22.379 ( -0.365 23.013 12.479) 26.181 24.283 ( -1.196 -13.706 0.325) 13.762 24.648 ( 2.405 6.556 -13.321) 15.040 25.481 ( 1.919 -4.239 -11.431) 12.342 ======================= Grid point 82 (40/125) ======================= q-point: (-0.29 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -6.363 12.573 10.945) 17.843 1.531 ( -18.686 12.327 3.590) 22.672 1.813 ( -2.951 2.089 19.111) 19.450 2.118 ( -5.139 7.539 19.197) 21.255 2.312 ( -7.053 -0.313 -0.470) 7.075 2.451 ( 1.252 5.295 0.318) 5.450 2.759 ( -8.474 4.576 1.295) 9.717 2.776 ( -2.503 10.455 9.803) 14.549 2.972 ( 3.225 -0.212 0.676) 3.302 3.202 ( 3.023 0.901 -6.994) 7.673 3.309 ( 3.831 -3.394 2.681) 5.778 3.457 ( 0.831 -2.192 6.315) 6.736 3.607 ( -2.808 -7.926 7.672) 11.382 3.670 ( 3.200 1.655 1.656) 3.965 3.905 ( -3.285 5.100 -0.435) 6.082 4.014 ( -1.502 -5.467 3.572) 6.701 4.374 ( -2.712 -6.392 2.434) 7.358 4.647 ( -8.206 2.457 -1.135) 8.641 4.733 ( -3.045 -7.369 11.437) 13.942 5.049 ( -0.467 3.361 -0.347) 3.411 5.170 ( 0.328 -0.663 3.791) 3.862 5.491 ( -4.332 -0.979 -4.978) 6.671 5.758 ( -1.799 -1.351 -7.275) 7.615 5.817 ( 0.264 6.153 -7.471) 9.683 6.191 ( -3.644 4.581 5.516) 8.043 6.345 ( -2.047 7.142 14.545) 16.332 6.503 ( -3.370 -2.828 -1.235) 4.569 6.690 ( -6.263 0.326 7.273) 9.603 7.445 ( 4.819 0.369 -0.035) 4.833 7.692 ( 4.247 4.750 0.042) 6.372 7.776 ( 6.641 -3.999 -2.294) 8.085 8.184 ( -2.423 7.979 -3.466) 9.030 8.249 ( 3.494 2.059 -7.386) 8.426 8.374 ( -1.006 -0.374 -1.425) 1.783 8.610 ( -0.313 10.501 3.181) 10.977 8.689 ( -8.575 7.623 4.921) 12.484 8.911 ( 0.174 8.882 1.010) 8.941 9.015 ( 7.469 -1.228 0.870) 7.619 9.392 ( -1.271 0.744 6.039) 6.216 9.489 ( 3.219 4.139 -7.044) 8.781 9.845 ( 0.430 5.716 -7.714) 9.610 10.221 ( 8.872 4.061 -3.423) 10.340 10.379 ( -9.036 -0.639 3.285) 9.636 10.680 ( 11.547 2.589 -1.328) 11.908 10.918 ( 3.508 3.250 0.615) 4.822 11.099 ( -2.705 3.424 13.898) 14.567 11.384 ( 2.190 -1.038 10.595) 10.869 11.784 ( -6.566 0.972 0.014) 6.638 12.249 ( 6.575 -4.748 -2.807) 8.582 12.387 ( 0.524 -6.264 -3.796) 7.343 12.629 ( 7.114 -6.382 6.560) 11.591 12.927 ( -15.416 -1.477 4.826) 16.221 13.247 ( -6.064 -7.075 -3.513) 9.958 13.618 ( 14.620 6.744 11.414) 19.736 14.363 ( 13.338 -4.559 -6.956) 15.719 14.911 ( 8.251 -7.479 -1.005) 11.182 15.165 ( -16.795 3.058 -1.801) 17.166 15.629 ( -5.274 -1.895 5.650) 7.958 15.863 ( -10.889 -6.253 -4.708) 13.410 16.216 ( -1.606 -3.482 -7.980) 8.853 16.559 ( 6.287 -5.851 14.203) 16.598 16.956 ( -8.124 -5.037 17.442) 19.890 17.659 ( 10.809 -2.230 6.543) 12.831 18.263 ( 4.538 0.075 -0.991) 4.646 18.457 ( 1.418 -6.879 -1.144) 7.116 18.579 ( 11.082 2.212 -4.524) 12.172 18.826 ( -9.436 0.366 1.259) 9.526 20.701 ( -6.910 -17.558 -19.152) 26.886 22.461 ( 3.996 23.596 12.593) 27.043 24.226 ( -5.025 -12.702 1.147) 13.708 24.676 ( 5.767 6.347 -14.118) 16.519 25.464 ( 0.855 -4.615 -11.483) 12.405 ======================= Grid point 83 (41/125) ======================= q-point: (-0.14 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -14.840 17.843 3.839) 23.523 1.278 ( -3.058 17.925 9.220) 20.388 1.792 ( -7.457 2.900 23.669) 24.985 2.101 ( -9.331 0.495 -2.474) 9.666 2.114 ( -4.901 9.485 15.213) 18.585 2.455 ( -1.701 11.057 -0.122) 11.188 2.648 ( -3.905 19.863 12.046) 23.556 2.813 ( 1.895 1.144 3.189) 3.882 3.026 ( 2.233 -4.775 0.884) 5.345 3.235 ( 1.482 -2.056 1.444) 2.917 3.358 ( 0.332 -7.408 -0.311) 7.422 3.520 ( 1.938 -9.166 3.943) 10.165 3.571 ( -2.343 -1.746 3.893) 4.868 3.767 ( 3.292 2.289 3.466) 5.300 3.813 ( -1.539 1.916 2.114) 3.242 3.952 ( -5.159 -7.129 1.575) 8.940 4.291 ( -5.124 -3.367 -0.849) 6.189 4.538 ( -3.404 -3.669 -0.065) 5.005 4.760 ( -0.458 -4.906 8.256) 9.615 5.016 ( -3.200 -0.082 3.947) 5.082 5.189 ( 1.468 0.077 -1.418) 2.043 5.402 ( -4.328 -1.694 6.801) 8.238 5.711 ( -0.478 1.989 -8.002) 8.259 5.781 ( -0.383 5.350 -6.838) 8.691 6.139 ( -2.699 3.896 -1.228) 4.896 6.353 ( -2.560 1.054 2.215) 3.546 6.460 ( -2.222 4.091 9.348) 10.443 6.621 ( -1.961 -0.712 14.394) 14.545 7.538 ( 3.286 4.836 -1.197) 5.968 7.774 ( 4.249 5.765 1.753) 7.373 7.914 ( 7.872 -3.442 -1.832) 8.785 8.128 ( 0.498 6.565 -6.186) 9.034 8.288 ( 0.850 -2.212 -2.652) 3.557 8.331 ( -5.329 -1.663 3.539) 6.610 8.472 ( -4.664 5.267 -2.698) 7.535 8.742 ( 5.360 9.705 2.023) 11.270 8.879 ( -4.281 12.576 2.811) 13.579 9.185 ( 6.099 -0.848 5.945) 8.559 9.363 ( -1.161 -3.662 1.926) 4.297 9.557 ( 5.074 1.969 -2.419) 5.956 9.786 ( -3.191 -0.314 -1.867) 3.710 10.197 ( -10.829 -2.149 5.434) 12.305 10.459 ( 15.532 7.630 -9.720) 19.848 10.875 ( 10.946 1.986 -3.701) 11.724 10.981 ( 1.707 4.520 2.509) 5.444 11.088 ( -3.671 5.017 9.950) 11.733 11.448 ( -0.116 2.419 10.864) 11.131 11.696 ( -0.876 2.779 0.001) 2.914 12.132 ( -14.753 -0.346 0.836) 14.781 12.452 ( 3.983 -6.089 -3.775) 8.196 12.700 ( -9.262 -2.885 0.367) 9.708 12.733 ( -0.978 -6.904 3.568) 7.833 13.315 ( 15.021 0.458 -1.082) 15.067 13.959 ( 13.117 1.685 13.617) 18.982 14.548 ( 10.611 3.214 -12.951) 17.048 14.774 ( -19.290 2.553 -0.536) 19.466 15.070 ( 6.282 -6.141 1.008) 8.842 15.509 ( -12.134 -0.409 -1.453) 12.228 15.680 ( -4.312 -3.411 2.079) 5.878 16.161 ( -0.656 -6.647 -7.073) 9.729 16.684 ( 1.838 -10.724 14.303) 17.971 16.842 ( -9.517 -4.044 14.359) 17.695 17.886 ( 10.094 -8.725 4.093) 13.956 18.334 ( 2.929 2.276 -0.364) 3.727 18.459 ( -6.863 -10.616 7.612) 14.756 18.587 ( -1.497 -2.236 -5.215) 5.869 18.943 ( 18.444 9.216 -2.585) 20.780 20.456 ( -10.080 -18.811 -18.341) 28.139 22.601 ( 5.196 21.390 12.695) 25.410 24.119 ( -6.316 -10.151 2.337) 12.181 24.748 ( 6.852 5.448 -14.060) 16.562 25.434 ( 0.581 -4.843 -11.631) 12.613 ======================= Grid point 84 (42/125) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -1.312 19.248 1.347) 19.339 1.590 ( 0.367 9.858 8.969) 13.332 1.812 ( -3.780 3.062 17.580) 18.241 2.050 ( -0.659 6.517 -4.504) 7.950 2.210 ( -1.014 3.672 6.348) 7.403 2.494 ( -0.260 0.647 -8.196) 8.226 2.749 ( -1.628 -4.835 2.969) 5.903 2.866 ( -2.049 -9.166 -0.297) 9.396 3.036 ( -3.933 3.419 6.968) 8.701 3.164 ( 0.884 -4.144 -0.359) 4.252 3.239 ( 2.666 -6.755 2.614) 7.719 3.466 ( -0.868 -6.982 6.612) 9.655 3.481 ( -4.838 -6.606 9.699) 12.693 3.666 ( -1.381 14.528 8.610) 16.944 3.934 ( -1.452 2.605 6.233) 6.910 4.073 ( -0.397 -5.745 -0.270) 5.765 4.134 ( 7.173 10.077 -2.071) 12.541 4.512 ( 1.760 2.076 0.773) 2.830 4.653 ( -5.403 -0.212 0.596) 5.440 4.929 ( -2.145 -3.072 0.721) 3.815 5.269 ( -0.607 3.388 4.638) 5.776 5.376 ( 0.626 -1.407 10.061) 10.178 5.783 ( 2.638 4.995 -5.031) 7.564 5.881 ( 1.293 5.531 -2.284) 6.123 6.104 ( -0.523 -1.143 -7.113) 7.224 6.265 ( 2.209 -4.728 -3.024) 6.031 6.556 ( -2.218 4.087 7.398) 8.738 6.678 ( -0.646 -0.386 17.393) 17.409 7.658 ( -1.504 4.690 -3.605) 6.104 7.904 ( 0.428 -7.643 -1.637) 7.828 7.980 ( 3.004 5.463 2.529) 6.728 8.032 ( -4.671 -1.157 -3.466) 5.930 8.322 ( -4.890 7.681 -0.963) 9.156 8.400 ( 5.159 4.397 2.151) 7.112 8.484 ( -1.296 1.326 -2.015) 2.738 8.893 ( 0.520 -1.569 -7.633) 7.810 9.004 ( 0.459 3.567 4.734) 5.945 9.235 ( -6.326 4.969 -0.237) 8.048 9.365 ( 9.892 -2.007 10.321) 14.436 9.582 ( -3.012 2.167 4.415) 5.767 9.708 ( -2.211 -5.829 -2.885) 6.870 9.987 ( -3.962 -1.995 8.609) 9.685 10.781 ( 6.287 6.901 -0.631) 9.357 11.078 ( 8.307 -0.820 -1.859) 8.552 11.155 ( -1.267 8.387 -0.355) 8.490 11.183 ( -3.950 7.517 1.970) 8.717 11.529 ( -8.036 8.758 4.633) 12.757 11.874 ( -14.466 3.167 -0.507) 14.817 11.939 ( 15.046 6.112 2.601) 16.447 12.369 ( 1.671 -4.865 -2.691) 5.806 12.507 ( -3.073 -3.184 -2.988) 5.339 12.635 ( -1.846 -3.029 1.635) 3.905 13.670 ( 4.675 4.586 3.622) 7.484 13.965 ( -7.081 -2.343 3.475) 8.228 14.582 ( 2.223 0.787 2.757) 3.628 14.759 ( 5.537 -3.462 -4.142) 7.733 15.083 ( -2.576 2.101 2.070) 3.916 15.425 ( 2.162 2.628 -2.305) 4.110 15.507 ( -8.506 -3.484 1.324) 9.287 15.953 ( 5.019 -15.154 -4.408) 16.560 16.511 ( -0.999 -7.826 8.699) 11.744 16.642 ( -5.579 -5.186 16.314) 18.004 17.855 ( 1.659 -5.992 0.645) 6.251 18.061 ( -7.771 -8.238 -2.269) 11.550 18.460 ( -0.990 6.327 0.643) 6.437 18.700 ( 7.874 -0.947 5.004) 9.377 19.224 ( -2.260 7.091 -8.977) 11.661 20.000 ( 7.916 -16.725 -11.243) 21.652 23.036 ( -1.611 16.128 7.063) 17.680 23.859 ( -0.975 -10.958 3.551) 11.560 24.903 ( 3.450 5.341 -13.069) 14.533 25.298 ( 2.202 -6.430 -12.448) 14.182 ======================= Grid point 85 (43/125) ======================= q-point: ( 0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 4.053 14.168 1.121) 14.779 1.641 ( 0.631 6.261 11.429) 13.047 1.825 ( -1.148 5.922 16.327) 17.406 2.087 ( 5.689 10.677 0.085) 12.099 2.244 ( 1.471 -1.541 1.597) 2.663 2.478 ( 1.266 2.451 -5.611) 6.253 2.664 ( -5.480 -2.149 1.425) 6.056 2.826 ( -2.390 -8.830 -2.641) 9.521 3.012 ( -2.133 0.574 6.180) 6.563 3.183 ( 1.366 -0.817 0.341) 1.628 3.275 ( -1.180 -8.482 6.436) 10.713 3.400 ( -3.360 -6.295 2.860) 7.687 3.469 ( -3.143 -5.411 5.836) 8.556 3.729 ( 3.701 9.348 9.888) 14.102 3.954 ( 1.504 -1.839 5.625) 6.106 4.110 ( 3.168 0.006 -1.803) 3.645 4.251 ( 1.719 9.895 2.005) 10.242 4.518 ( 0.290 0.675 0.810) 1.094 4.678 ( 8.871 1.199 5.080) 10.293 4.910 ( 0.793 -0.791 -1.382) 1.779 5.231 ( -4.033 2.661 2.768) 5.569 5.466 ( 4.590 -5.575 6.896) 9.985 5.808 ( 1.625 5.716 -4.687) 7.568 5.928 ( 3.627 7.000 -0.748) 7.919 6.086 ( 0.881 -0.407 -3.540) 3.670 6.355 ( 7.440 -3.771 -1.029) 8.405 6.563 ( -0.164 2.131 8.301) 8.572 6.701 ( -3.685 -2.063 16.532) 17.063 7.550 ( -7.209 3.646 -6.501) 10.370 7.857 ( -3.683 -8.608 4.121) 10.229 7.899 ( -6.491 4.111 -0.526) 7.702 8.093 ( 5.813 2.411 -3.521) 7.211 8.255 ( -0.081 4.475 -5.079) 6.770 8.393 ( -6.997 -0.508 -3.252) 7.733 8.534 ( 5.819 0.775 2.587) 6.416 8.835 ( -2.240 -1.499 -6.567) 7.099 9.096 ( 1.841 13.929 6.676) 15.556 9.197 ( 6.407 1.433 -0.023) 6.565 9.484 ( -1.238 -1.676 -4.960) 5.380 9.541 ( -5.558 5.035 11.182) 13.464 9.652 ( 0.727 -7.809 5.676) 9.682 10.028 ( 4.419 1.019 0.828) 4.610 10.838 ( -1.317 7.846 4.041) 8.923 10.992 ( -13.414 11.365 -1.712) 17.664 11.142 ( 0.057 6.519 -0.281) 6.525 11.186 ( 0.430 0.058 8.064) 8.075 11.357 ( -8.073 6.672 -2.318) 10.727 11.689 ( -5.155 0.171 -1.884) 5.491 12.259 ( 11.775 6.627 -0.568) 13.524 12.356 ( 0.348 -2.898 2.641) 3.936 12.512 ( 6.471 -2.097 -4.417) 8.110 12.588 ( -4.252 -5.983 2.263) 7.681 13.523 ( -13.702 3.220 8.702) 16.548 13.780 ( -12.480 5.482 -2.155) 13.800 14.595 ( -14.274 -10.452 0.769) 17.709 14.812 ( 1.644 -13.936 -0.290) 14.035 15.105 ( 11.153 9.994 3.322) 15.339 15.377 ( -1.988 2.467 -2.718) 4.174 15.553 ( 9.456 0.077 -2.042) 9.674 16.109 ( 10.203 -11.124 -2.630) 15.322 16.505 ( -2.766 -5.093 6.706) 8.864 16.641 ( -0.867 -7.085 16.395) 17.882 17.771 ( -8.907 -4.658 0.674) 10.074 18.019 ( 3.317 -10.268 -3.035) 11.209 18.401 ( -5.062 5.518 -0.621) 7.514 18.792 ( -3.436 -5.291 4.778) 7.914 19.099 ( -2.002 14.071 -5.972) 15.417 20.214 ( 15.064 -19.781 -10.421) 26.959 22.985 ( -6.066 17.144 7.086) 19.517 23.885 ( 2.102 -12.190 2.874) 12.699 24.896 ( 0.897 5.497 -12.272) 13.477 25.309 ( 3.677 -6.571 -12.505) 14.597 ======================= Grid point 86 (44/125) ======================= q-point: ( 0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 2.252 6.997 4.702) 8.726 1.682 ( -1.454 5.027 14.030) 14.974 1.897 ( 3.388 5.028 11.949) 13.400 2.211 ( -2.139 4.096 1.995) 5.033 2.260 ( 7.592 3.696 2.482) 8.801 2.514 ( 3.349 2.147 -1.577) 4.279 2.616 ( 0.983 2.941 -1.411) 3.407 2.767 ( -3.156 -8.042 0.525) 8.655 2.976 ( -3.059 -2.740 3.609) 5.468 3.184 ( -1.158 -3.393 -6.152) 7.120 3.290 ( -2.395 -1.469 15.122) 15.380 3.374 ( 1.504 -3.109 2.799) 4.446 3.432 ( -0.988 -7.785 0.092) 7.848 3.845 ( 4.842 2.799 7.770) 9.574 4.012 ( 0.108 3.304 6.403) 7.206 4.095 ( -4.099 2.546 0.309) 4.835 4.232 ( -1.120 8.733 2.763) 9.228 4.607 ( 4.253 -1.279 7.345) 8.583 4.901 ( 10.661 3.060 3.304) 11.573 4.971 ( 6.216 1.527 -1.651) 6.610 5.163 ( -3.234 1.617 0.357) 3.633 5.574 ( 4.537 -10.569 2.608) 11.794 5.812 ( 0.973 5.731 -5.636) 8.097 5.969 ( 1.628 8.858 -6.504) 11.110 6.130 ( 3.396 -0.107 6.296) 7.154 6.476 ( 3.459 -1.856 2.261) 4.531 6.608 ( 1.345 -0.664 8.740) 8.867 6.662 ( -5.966 -1.712 13.370) 14.740 7.404 ( -4.399 1.913 -3.710) 6.064 7.724 ( -9.463 -0.577 -2.784) 9.881 7.862 ( 0.456 -3.493 6.555) 7.442 8.152 ( -4.806 -4.178 -9.450) 11.395 8.217 ( 0.985 3.474 -4.110) 5.471 8.313 ( 5.222 1.161 -2.465) 5.891 8.625 ( 1.795 2.676 3.999) 5.136 8.802 ( 2.112 0.597 -6.690) 7.041 9.103 ( -0.239 9.809 -0.287) 9.816 9.340 ( -10.274 -2.322 2.432) 10.811 9.396 ( 3.682 11.214 5.643) 13.083 9.503 ( 4.951 2.922 0.814) 5.806 9.747 ( 6.010 -0.947 4.258) 7.426 10.096 ( 2.663 -3.692 -6.784) 8.170 10.633 ( -15.718 11.285 2.691) 19.536 10.888 ( -1.874 14.191 2.859) 14.597 11.116 ( -3.773 3.292 6.966) 8.579 11.191 ( -6.557 -1.400 2.636) 7.205 11.254 ( 1.444 7.421 1.177) 7.652 11.631 ( 0.188 -4.801 -4.143) 6.344 12.169 ( -9.515 0.206 -1.287) 9.604 12.407 ( -9.170 -6.067 -0.898) 11.032 12.550 ( 6.745 2.517 5.812) 9.253 12.816 ( 20.543 -1.451 3.794) 20.940 13.383 ( -4.696 0.748 7.313) 8.722 13.529 ( -11.547 7.767 -4.581) 14.651 14.268 ( -18.996 -14.237 1.870) 23.813 14.647 ( -12.074 -18.814 -2.387) 22.482 15.311 ( 3.396 4.471 -0.852) 5.679 15.548 ( 18.651 5.188 2.772) 19.556 15.736 ( 10.807 1.230 -1.453) 10.973 16.236 ( 3.568 -3.638 -2.820) 5.824 16.466 ( -3.486 -2.159 5.098) 6.542 16.705 ( 0.610 -8.247 15.460) 17.532 17.627 ( -6.004 -1.019 2.181) 6.468 18.085 ( 3.865 -12.830 -1.202) 13.454 18.283 ( -6.356 2.101 -1.926) 6.966 18.640 ( -9.381 -1.810 -1.951) 9.751 19.126 ( 2.546 12.750 0.711) 13.021 20.411 ( 9.744 -21.797 -12.312) 26.863 22.889 ( -6.360 19.585 7.570) 21.939 23.939 ( 2.288 -14.396 2.191) 14.740 24.858 ( 0.006 6.699 -12.088) 13.820 25.336 ( 3.910 -7.048 -12.366) 14.760 ======================= Grid point 87 (45/125) ======================= q-point: ( 0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -3.927 4.189 11.470) 12.827 1.713 ( 0.711 3.323 9.310) 9.911 2.003 ( 1.484 2.749 9.806) 10.292 2.148 ( -1.791 0.617 3.366) 3.863 2.404 ( 3.170 7.978 4.812) 9.841 2.531 ( -2.182 1.914 2.520) 3.844 2.686 ( 3.843 1.852 -2.006) 4.714 2.742 ( 2.419 -2.885 4.245) 5.674 2.960 ( 1.052 -6.971 -1.945) 7.314 3.142 ( 0.200 -5.292 -4.597) 7.012 3.235 ( -6.578 0.462 14.408) 15.845 3.385 ( -1.846 -7.753 -1.321) 8.078 3.562 ( 11.752 2.110 5.492) 13.142 3.896 ( -10.293 7.929 3.714) 13.514 3.946 ( 2.161 2.737 5.545) 6.550 4.110 ( 0.742 3.969 7.858) 8.835 4.210 ( -2.496 4.487 2.983) 5.938 4.674 ( -0.415 -5.851 7.951) 9.881 5.011 ( 0.309 7.843 2.155) 8.140 5.097 ( 5.315 1.662 -1.397) 5.741 5.138 ( 0.902 1.528 -1.319) 2.211 5.618 ( -1.065 -11.074 -2.209) 11.342 5.814 ( 1.437 4.529 -5.103) 6.972 5.964 ( 1.455 8.142 -8.036) 11.532 6.225 ( 2.799 0.191 8.410) 8.865 6.472 ( -4.577 -3.387 5.034) 7.600 6.590 ( -5.856 2.402 8.552) 10.640 6.666 ( 1.886 0.231 8.949) 9.149 7.397 ( 3.438 -0.382 -0.846) 3.561 7.547 ( -6.695 -0.069 -1.978) 6.981 7.872 ( -6.111 -2.431 -2.124) 6.911 8.009 ( 1.592 -5.202 3.108) 6.266 8.302 ( 6.253 -2.199 -9.205) 11.343 8.426 ( 5.536 3.264 -0.572) 6.452 8.648 ( 1.281 6.963 1.943) 7.342 8.857 ( 4.092 -0.235 -2.171) 4.638 9.064 ( -6.010 1.247 -1.464) 6.310 9.160 ( -5.061 7.416 -0.964) 9.030 9.405 ( -1.648 12.563 9.578) 15.883 9.678 ( 10.620 1.102 -6.006) 12.251 9.848 ( -2.668 6.337 1.740) 7.093 10.132 ( 10.019 -8.449 -7.964) 15.336 10.424 ( -8.150 10.390 4.236) 13.868 10.794 ( -8.502 10.831 -0.963) 13.802 11.054 ( -6.634 0.884 -1.408) 6.839 11.092 ( -2.606 -0.995 13.182) 13.474 11.309 ( 1.963 9.817 3.757) 10.693 11.700 ( 9.174 -4.273 -2.994) 10.554 11.984 ( -9.386 -2.623 2.321) 10.018 12.258 ( -4.963 -9.374 0.854) 10.641 12.646 ( -0.164 7.180 3.819) 8.134 13.183 ( 13.275 -2.100 5.471) 14.511 13.329 ( -4.475 0.379 4.165) 6.125 13.392 ( 0.116 4.018 -4.553) 6.074 13.943 ( -13.361 -13.828 0.328) 19.231 14.470 ( -4.589 -20.543 -2.473) 21.195 15.363 ( 2.707 5.093 1.430) 5.943 15.788 ( 4.296 -8.838 5.875) 11.449 15.968 ( 12.203 7.859 -3.481) 14.926 16.217 ( -3.379 2.228 -5.369) 6.724 16.418 ( -3.202 0.217 4.984) 5.928 16.769 ( 0.453 -6.950 16.573) 17.977 17.568 ( -2.050 2.249 5.184) 6.012 18.134 ( 1.068 -2.275 -2.270) 3.386 18.192 ( -1.021 -11.925 -0.652) 11.987 18.494 ( -4.437 -2.156 -4.079) 6.401 19.146 ( -0.828 12.552 -0.143) 12.580 20.487 ( 3.752 -22.322 -14.172) 26.706 22.824 ( -3.316 21.399 8.178) 23.148 23.978 ( 0.891 -15.873 2.152) 16.043 24.818 ( 0.818 8.019 -12.683) 15.028 25.358 ( 3.075 -7.457 -12.208) 14.632 ======================= Grid point 88 (46/125) ======================= q-point: (-0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -4.234 5.854 9.136) 11.647 1.762 ( -0.011 -0.763 11.205) 11.231 1.965 ( -7.022 6.227 6.471) 11.400 2.223 ( 5.686 -1.220 7.734) 9.677 2.362 ( -7.606 8.821 -0.102) 11.648 2.504 ( -2.018 2.662 6.175) 7.020 2.738 ( 3.530 -5.506 4.621) 8.009 2.849 ( 3.793 2.207 -1.440) 4.618 2.947 ( -0.736 -5.052 -4.156) 6.583 3.171 ( -1.337 -7.922 7.696) 11.126 3.213 ( 2.833 1.618 7.708) 8.370 3.338 ( -2.468 -6.069 0.244) 6.556 3.714 ( -9.278 5.461 4.721) 11.756 3.821 ( 12.069 7.431 3.388) 14.573 3.928 ( -6.539 10.357 9.366) 15.419 4.124 ( -2.554 2.096 5.763) 6.643 4.192 ( -0.017 -2.777 1.735) 3.274 4.651 ( -4.326 -6.188 7.382) 10.559 4.942 ( -8.379 5.354 -1.341) 10.033 5.141 ( 2.712 6.011 -1.631) 6.794 5.153 ( -1.553 -1.004 1.536) 2.404 5.528 ( -6.002 -8.618 -2.507) 10.797 5.811 ( 0.385 4.370 -6.697) 8.006 5.970 ( 1.529 7.465 -7.318) 10.565 6.264 ( -1.547 -1.797 4.689) 5.254 6.396 ( -4.458 -5.280 4.292) 8.135 6.529 ( -3.344 5.437 10.129) 11.973 6.731 ( -0.033 0.180 8.991) 8.993 7.404 ( -0.069 1.170 0.119) 1.178 7.571 ( 6.910 -2.011 -2.122) 7.503 7.742 ( -2.668 -0.145 -2.415) 3.601 8.154 ( 8.522 -1.708 4.986) 10.020 8.337 ( 1.081 -2.554 -11.364) 11.697 8.456 ( -2.534 5.775 1.485) 6.479 8.727 ( 4.699 7.103 7.255) 11.188 8.895 ( 0.370 -1.604 -4.295) 4.600 8.940 ( -3.685 -0.166 -1.039) 3.832 9.102 ( -2.908 9.190 -0.821) 9.674 9.439 ( 0.811 8.755 8.588) 12.291 9.684 ( -8.079 7.142 -5.103) 11.930 9.868 ( 9.032 2.321 -3.739) 10.047 10.307 ( -5.607 7.679 2.723) 9.891 10.342 ( 8.456 -8.166 -1.553) 11.858 10.640 ( -4.133 5.530 -6.335) 9.370 10.963 ( -1.375 3.200 1.738) 3.893 11.141 ( 3.241 -2.901 11.083) 11.906 11.347 ( 1.091 12.150 5.138) 13.237 11.853 ( -5.892 -3.955 4.223) 8.258 11.931 ( 15.106 -1.272 -1.749) 15.260 12.241 ( 2.438 -9.138 -1.449) 9.568 12.580 ( -5.896 5.467 2.954) 8.566 13.174 ( -13.934 -7.268 3.375) 16.074 13.252 ( -5.531 0.829 -0.233) 5.598 13.493 ( 9.843 6.818 2.934) 12.328 13.926 ( 10.793 -12.711 -1.187) 16.717 14.477 ( 6.269 -19.063 -2.100) 20.177 15.413 ( 0.575 5.414 3.446) 6.444 15.778 ( -7.311 -5.515 4.098) 10.033 15.974 ( -8.609 4.921 -4.163) 10.754 16.193 ( 2.242 -0.965 -5.591) 6.101 16.402 ( -0.395 1.210 8.828) 8.919 16.832 ( -1.521 -8.154 16.920) 18.844 17.579 ( 1.206 4.607 5.741) 7.459 18.152 ( 3.618 -1.664 -2.526) 4.715 18.220 ( 2.056 -12.732 1.637) 13.000 18.455 ( 2.177 -4.047 -5.968) 7.532 19.099 ( -3.114 14.395 -2.725) 14.978 20.452 ( -1.694 -22.236 -15.570) 27.198 22.830 ( 0.661 21.754 8.529) 23.375 23.985 ( -1.124 -15.965 2.570) 16.209 24.802 ( 2.669 8.632 -13.501) 16.246 25.360 ( 1.900 -7.602 -12.173) 14.477 ======================= Grid point 89 (47/125) ======================= q-point: (-0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -2.198 8.746 6.008) 10.836 1.757 ( -6.970 4.291 8.700) 11.945 1.847 ( -6.228 5.949 12.587) 15.252 2.211 ( -6.412 4.260 -2.743) 8.173 2.362 ( 2.051 1.480 10.874) 11.165 2.464 ( -1.223 1.587 -0.608) 2.094 2.762 ( -4.229 -4.036 -4.788) 7.557 2.892 ( 6.063 -0.402 3.863) 7.200 2.961 ( -0.752 -0.792 6.564) 6.654 3.169 ( -0.580 -12.483 4.309) 13.218 3.259 ( -1.994 5.287 0.129) 5.652 3.350 ( 2.519 -9.224 8.846) 13.026 3.588 ( -5.343 6.757 5.377) 10.155 3.809 ( -8.881 9.970 11.990) 17.946 4.011 ( 5.653 9.770 -1.201) 11.352 4.062 ( -4.955 2.375 2.080) 5.875 4.189 ( -1.895 -6.291 2.040) 6.880 4.619 ( -0.569 -5.217 8.058) 9.616 4.725 ( -11.774 4.989 -3.163) 13.173 5.090 ( -5.348 -2.848 2.568) 6.581 5.192 ( 2.404 4.686 0.515) 5.292 5.424 ( -4.794 -4.769 3.334) 7.540 5.786 ( 0.108 4.186 -8.161) 9.172 5.948 ( -1.159 6.581 -6.634) 9.416 6.220 ( -3.183 -2.079 -0.624) 3.853 6.340 ( -2.825 -6.164 0.251) 6.785 6.540 ( -0.390 5.461 13.394) 14.470 6.695 ( -6.592 -0.032 9.165) 11.289 7.488 ( 7.837 3.179 1.009) 8.517 7.675 ( 6.208 -5.576 -2.613) 8.745 7.790 ( 5.752 5.616 1.597) 8.196 8.273 ( -2.385 -4.300 -8.302) 9.649 8.301 ( 4.352 5.990 -0.780) 7.445 8.390 ( -3.643 7.011 1.991) 8.148 8.805 ( -10.130 3.239 -0.407) 10.643 8.826 ( 1.534 8.541 4.881) 9.956 8.940 ( 7.092 -5.752 -3.635) 9.828 9.073 ( -0.549 4.128 2.906) 5.078 9.457 ( -1.394 4.998 3.859) 6.467 9.561 ( -3.562 3.409 -2.678) 5.611 9.893 ( -7.430 1.974 8.430) 11.409 10.308 ( -5.335 -1.831 2.264) 6.078 10.369 ( 9.017 4.543 -9.421) 13.809 10.672 ( 10.061 -2.335 -8.778) 13.554 11.035 ( 6.096 7.108 4.220) 10.271 11.219 ( 0.283 4.860 7.432) 8.884 11.435 ( 4.640 7.051 9.873) 12.989 11.786 ( -2.640 -0.607 2.365) 3.596 12.197 ( 12.172 -1.937 -3.269) 12.752 12.266 ( -0.461 -4.071 -5.222) 6.637 12.548 ( 1.677 -0.974 7.481) 7.728 12.891 ( -15.121 -3.534 4.868) 16.274 13.160 ( -0.609 0.410 -3.838) 3.908 13.710 ( 11.000 1.219 6.375) 12.772 14.204 ( 18.163 -8.750 -2.672) 20.337 14.656 ( 11.381 -15.537 -1.455) 19.314 15.312 ( -14.111 9.944 -0.668) 17.275 15.630 ( -6.430 0.392 5.233) 8.300 15.790 ( -9.514 -0.524 -0.589) 9.547 16.141 ( -4.882 -4.325 -6.803) 9.424 16.456 ( 0.715 -3.569 11.473) 12.037 16.807 ( -7.199 -9.988 15.839) 20.061 17.658 ( 4.949 2.682 4.440) 7.169 18.230 ( 1.376 -12.155 6.270) 13.746 18.283 ( 6.371 0.521 -2.735) 6.953 18.510 ( 5.116 -4.968 -7.574) 10.403 19.048 ( 0.879 16.647 -4.800) 17.347 20.309 ( -7.291 -21.098 -16.322) 27.653 22.901 ( 3.306 20.432 8.325) 22.309 23.953 ( -3.265 -14.516 3.044) 15.187 24.821 ( 4.672 8.024 -13.899) 16.715 25.342 ( 1.027 -7.381 -12.235) 14.326 ======================= Grid point 90 (48/125) ======================= q-point: (-0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -1.649 13.070 4.101) 13.797 1.611 ( -7.455 14.924 6.078) 17.755 1.824 ( -4.139 0.634 17.965) 18.447 2.110 ( -3.228 2.544 -4.518) 6.107 2.277 ( -8.436 7.221 7.005) 13.130 2.525 ( 2.065 -1.898 -5.997) 6.620 2.701 ( 1.763 -3.837 0.079) 4.224 2.928 ( -4.257 -5.024 4.479) 7.963 3.027 ( 4.060 0.514 7.856) 8.858 3.184 ( -1.513 -9.889 0.759) 10.033 3.196 ( -1.099 -0.334 0.114) 1.154 3.420 ( 1.194 -5.997 8.991) 10.873 3.541 ( -3.564 -0.743 7.932) 8.728 3.705 ( -6.201 11.566 11.013) 17.132 3.971 ( -4.713 6.307 3.704) 8.701 4.058 ( 2.721 10.093 -5.695) 11.904 4.128 ( -4.564 -8.595 1.597) 9.861 4.542 ( -5.628 4.270 -0.438) 7.078 4.685 ( 1.917 -3.605 5.110) 6.541 4.991 ( -5.266 -4.044 1.701) 6.854 5.234 ( 1.697 4.328 2.624) 5.339 5.374 ( -3.306 -1.180 9.597) 10.218 5.767 ( 1.222 3.904 -7.478) 8.524 5.897 ( -1.276 5.991 -5.123) 7.985 6.155 ( -2.332 -2.351 -5.360) 6.300 6.285 ( -2.180 -5.612 -3.234) 6.834 6.589 ( -2.633 5.561 10.768) 12.402 6.618 ( -1.947 0.397 13.934) 14.075 7.629 ( 5.273 3.382 -0.372) 6.275 7.809 ( 7.808 -5.721 0.996) 9.731 7.897 ( 4.725 6.210 0.230) 7.807 8.170 ( -5.466 -2.135 -6.968) 9.109 8.332 ( 0.946 7.659 0.081) 7.718 8.376 ( -0.008 5.547 1.792) 5.829 8.582 ( -9.914 5.574 -1.157) 11.432 8.877 ( 3.420 2.450 -7.961) 9.004 9.036 ( -2.500 -0.520 2.145) 3.335 9.130 ( 8.864 -3.516 11.708) 15.100 9.379 ( -7.689 5.855 1.585) 9.793 9.564 ( 3.951 -0.816 -2.679) 4.843 9.768 ( -7.125 0.162 8.092) 10.783 10.123 ( -11.405 -5.596 4.908) 13.619 10.603 ( 13.837 6.498 -6.895) 16.770 10.876 ( 13.375 -0.896 -6.456) 14.879 11.143 ( 3.017 9.016 1.351) 9.603 11.225 ( -2.065 7.350 5.517) 9.419 11.547 ( 2.919 7.305 10.067) 12.776 11.770 ( 1.185 4.703 1.883) 5.203 12.150 ( -11.212 -0.047 -1.356) 11.294 12.328 ( 4.417 -4.764 -4.894) 8.134 12.584 ( -2.638 -4.819 1.944) 5.828 12.691 ( -6.973 -1.410 3.398) 7.884 13.342 ( 20.339 3.456 0.038) 20.631 13.933 ( 8.226 -4.991 7.500) 12.199 14.539 ( 17.136 -2.415 -3.908) 17.741 14.735 ( -8.311 -7.185 -1.099) 11.041 15.072 ( -2.567 7.905 0.065) 8.311 15.515 ( -8.503 0.603 0.594) 8.545 15.641 ( -6.787 -0.970 3.541) 7.716 15.998 ( -6.048 -10.664 -7.105) 14.170 16.492 ( -0.956 -6.951 11.132) 13.159 16.714 ( -7.897 -8.018 15.492) 19.148 17.774 ( 5.448 -1.566 1.973) 6.002 18.208 ( -5.852 -12.327 3.488) 14.084 18.414 ( 5.854 4.316 1.575) 7.441 18.567 ( 4.714 -0.695 -4.688) 6.685 19.143 ( 10.087 11.100 -5.939) 16.132 20.085 ( -8.733 -18.148 -15.379) 25.340 22.994 ( 2.793 17.891 7.653) 19.658 23.895 ( -3.785 -12.221 3.484) 13.259 24.867 ( 5.254 6.533 -13.729) 16.086 25.315 ( 1.004 -6.853 -12.326) 14.138 ======================= Grid point 91 (49/125) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -0.651 4.489 8.402) 9.548 1.745 ( -1.578 2.090 7.939) 8.360 1.930 ( -1.439 11.647 3.308) 12.193 2.107 ( -0.425 -2.876 1.047) 3.090 2.326 ( -2.633 7.285 1.557) 7.901 2.454 ( 1.484 -4.310 -3.999) 6.064 2.652 ( -1.540 -3.163 -2.068) 4.081 2.696 ( 0.335 -6.998 -2.225) 7.351 3.036 ( -0.945 0.656 6.583) 6.683 3.077 ( 3.216 -3.176 -0.258) 4.527 3.202 ( -2.211 0.230 3.065) 3.786 3.263 ( -4.697 -7.102 13.135) 15.654 3.478 ( -2.981 6.269 5.961) 9.150 3.696 ( -4.792 -13.217 2.454) 14.272 4.006 ( 0.037 9.101 0.926) 9.148 4.106 ( 0.046 -0.541 -2.150) 2.218 4.383 ( 4.366 13.866 5.166) 15.428 4.553 ( -1.642 -1.542 5.840) 6.260 4.689 ( -0.654 4.729 1.126) 4.905 4.822 ( -0.531 -7.154 1.290) 7.289 5.330 ( -1.710 2.141 6.487) 7.042 5.356 ( -1.201 -0.827 8.388) 8.514 5.900 ( 3.052 6.731 -5.482) 9.202 6.000 ( 0.173 5.685 1.149) 5.802 6.037 ( 2.851 -4.684 -10.134) 11.523 6.144 ( 2.110 -6.962 -2.856) 7.815 6.617 ( -2.036 2.514 7.853) 8.493 6.663 ( -1.543 -1.676 10.986) 11.220 7.719 ( -0.253 1.990 -0.996) 2.240 7.776 ( -0.649 -4.403 -0.212) 4.456 8.045 ( -0.861 2.136 -2.120) 3.130 8.063 ( -1.300 1.423 1.231) 2.287 8.453 ( -4.483 3.802 -3.347) 6.764 8.490 ( -4.203 -0.489 -3.604) 5.558 8.541 ( -0.016 10.061 -0.951) 10.106 8.757 ( -1.500 -10.108 -4.749) 11.268 9.070 ( 5.437 3.615 6.457) 9.182 9.165 ( 4.284 -5.935 4.356) 8.518 9.469 ( -1.652 5.922 1.207) 6.265 9.566 ( -1.433 -4.349 -3.780) 5.938 9.726 ( -2.480 7.755 10.642) 13.399 9.892 ( 0.373 -7.319 11.534) 13.665 10.918 ( 7.040 6.504 1.361) 9.681 11.028 ( 7.619 -4.151 0.475) 8.689 11.285 ( -2.906 4.062 -1.233) 5.144 11.298 ( -3.575 2.945 -0.059) 4.632 11.712 ( -7.645 8.880 2.941) 12.080 11.860 ( -9.782 -4.946 0.601) 10.978 12.098 ( 10.022 9.152 0.404) 13.578 12.269 ( 5.610 -6.822 -2.669) 9.227 12.486 ( -3.765 2.534 -0.809) 4.610 12.567 ( -3.283 -4.127 0.189) 5.277 13.766 ( 3.632 5.280 4.402) 7.775 13.880 ( -0.084 -5.594 4.307) 7.061 14.617 ( -0.718 2.460 1.165) 2.814 14.679 ( -1.297 -3.816 -0.519) 4.064 15.205 ( 0.620 10.519 -0.475) 10.548 15.431 ( -5.345 -6.767 -1.727) 8.795 15.471 ( 1.247 2.723 -1.395) 3.304 15.612 ( 3.116 -14.537 -1.539) 14.947 16.459 ( -1.785 1.909 11.482) 11.776 16.538 ( -3.533 -5.030 14.162) 15.439 17.817 ( -1.882 1.790 -0.366) 2.623 17.907 ( -4.692 -6.599 -1.555) 8.245 18.584 ( 0.618 5.401 0.527) 5.462 18.666 ( 4.379 -2.736 2.240) 5.629 19.410 ( 1.615 11.504 -9.668) 15.114 19.680 ( 5.415 -15.032 -10.126) 18.916 23.342 ( -1.363 14.407 4.881) 15.272 23.617 ( -1.109 -12.933 4.023) 13.589 25.023 ( 2.928 6.522 -13.199) 15.011 25.161 ( 2.527 -7.035 -12.976) 14.975 ======================= Grid point 92 (50/125) ======================= q-point: ( 0.14 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -0.644 4.542 8.798) 9.922 1.746 ( -1.426 3.634 8.231) 9.110 1.936 ( 1.124 8.303 1.392) 8.493 2.118 ( 0.523 -7.034 -0.262) 7.059 2.344 ( 3.992 9.668 2.203) 10.689 2.503 ( 4.704 -3.912 -2.315) 6.541 2.603 ( -1.548 0.983 -0.979) 2.079 2.698 ( -0.682 -5.528 -1.735) 5.834 3.003 ( -4.694 1.409 7.716) 9.141 3.100 ( -3.184 -7.488 2.420) 8.489 3.185 ( 1.287 1.242 4.663) 4.994 3.269 ( 0.842 -5.055 4.031) 6.520 3.452 ( -1.903 4.833 5.408) 7.499 3.644 ( -0.615 -11.824 0.859) 11.871 4.062 ( 3.920 7.285 4.145) 9.253 4.144 ( 3.528 -0.612 -0.882) 3.687 4.456 ( -0.604 9.026 4.695) 10.192 4.546 ( -0.954 0.255 7.956) 8.017 4.739 ( 7.183 5.125 2.254) 9.107 4.856 ( 4.751 -4.863 -0.335) 6.806 5.292 ( -4.021 3.389 3.665) 6.410 5.368 ( -0.637 -4.208 5.910) 7.283 5.926 ( 1.564 5.982 -4.801) 7.828 6.033 ( 1.509 -3.406 -0.525) 3.762 6.079 ( 5.483 6.813 -3.679) 9.487 6.234 ( 7.540 -7.573 -0.436) 10.696 6.613 ( -1.567 2.574 8.493) 9.011 6.663 ( -2.938 -2.162 11.782) 12.334 7.629 ( -7.205 4.099 -4.429) 9.398 7.718 ( -4.514 -5.188 -0.244) 6.881 7.990 ( -3.849 5.167 -0.345) 6.452 8.093 ( 2.068 -3.620 -1.697) 4.502 8.335 ( -3.591 2.860 -6.141) 7.667 8.368 ( -6.768 -1.181 -5.242) 8.641 8.597 ( 4.390 6.199 1.627) 7.768 8.744 ( 1.775 -7.003 -3.879) 8.200 9.230 ( 4.475 1.829 2.760) 5.567 9.250 ( 5.457 1.565 7.730) 9.591 9.439 ( -0.910 -0.744 -0.269) 1.206 9.470 ( -3.329 -4.304 -1.365) 5.610 9.799 ( 2.603 12.143 10.936) 16.547 9.987 ( 3.613 -5.755 6.262) 9.241 10.990 ( -1.949 7.137 6.307) 9.721 11.107 ( -0.676 -3.711 7.733) 8.604 11.184 ( -6.382 5.300 -1.778) 8.484 11.237 ( -1.741 0.644 -0.143) 1.862 11.512 ( -10.241 7.876 -4.829) 13.793 11.647 ( -9.607 -4.752 -5.083) 11.862 12.353 ( 7.848 3.133 6.318) 10.551 12.392 ( 1.034 5.606 -3.563) 6.723 12.443 ( 9.532 -4.784 2.724) 11.008 12.488 ( -4.251 -4.209 -2.577) 6.514 13.644 ( -12.345 8.535 7.871) 16.947 13.798 ( -9.028 -4.336 3.899) 10.748 14.452 ( -18.737 -2.004 -1.447) 18.900 14.545 ( -11.071 -10.536 -1.983) 15.412 15.322 ( 9.133 9.575 0.639) 13.248 15.409 ( 4.041 0.128 -2.418) 4.711 15.594 ( 12.141 5.294 -1.740) 13.359 15.826 ( 17.091 -15.539 -0.640) 23.108 16.465 ( -1.996 1.487 10.688) 10.974 16.533 ( -2.332 -4.483 13.704) 14.606 17.741 ( -5.122 1.823 -1.158) 5.558 17.837 ( -1.575 -7.347 -2.677) 7.976 18.533 ( -5.836 7.102 0.569) 9.210 18.673 ( -4.795 -6.586 2.544) 8.535 19.424 ( 4.139 18.137 -7.881) 20.204 19.812 ( 10.234 -20.019 -8.969) 24.206 23.316 ( -3.112 15.786 4.716) 16.767 23.618 ( -0.361 -14.250 3.691) 14.724 25.021 ( 2.022 6.853 -12.876) 14.726 25.166 ( 3.050 -7.377 -12.883) 15.156 ======================= Grid point 93 (51/125) ======================= q-point: ( 0.29 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -2.477 5.024 6.847) 8.846 1.758 ( -1.563 1.825 10.935) 11.196 1.981 ( 3.129 5.038 1.172) 6.046 2.112 ( -0.370 -6.928 -1.769) 7.160 2.464 ( 5.243 7.964 5.867) 11.196 2.587 ( 3.813 -1.492 0.023) 4.094 2.613 ( 2.319 2.652 3.962) 5.302 2.686 ( 1.697 -0.294 -1.953) 2.604 2.917 ( -6.762 -0.791 4.863) 8.366 3.019 ( -4.585 -9.806 1.068) 10.878 3.241 ( 0.742 -0.770 4.545) 4.669 3.297 ( -0.037 -4.664 3.020) 5.556 3.476 ( 4.432 9.239 4.253) 11.095 3.695 ( 4.981 -11.493 2.678) 12.809 4.141 ( 1.585 4.858 6.761) 8.475 4.171 ( -1.776 2.234 0.681) 2.934 4.428 ( -2.342 9.105 6.009) 11.157 4.563 ( -1.368 -3.912 9.130) 10.027 4.943 ( 11.807 3.210 0.193) 12.237 5.009 ( 10.628 -1.143 -0.909) 10.728 5.220 ( -4.219 5.543 1.439) 7.113 5.373 ( -0.426 -8.988 3.560) 9.677 5.932 ( 1.161 6.032 -5.543) 8.274 6.039 ( 1.210 -3.702 -7.530) 8.477 6.192 ( 4.498 8.414 7.016) 11.842 6.368 ( 4.438 -8.046 3.169) 9.720 6.624 ( -0.592 1.412 9.387) 9.511 6.645 ( -2.779 -0.647 10.596) 10.974 7.485 ( -5.330 5.712 -3.090) 8.401 7.618 ( -5.191 -7.291 -1.388) 9.057 7.888 ( -6.630 5.108 1.182) 8.452 8.027 ( -8.931 -7.900 -3.209) 12.348 8.289 ( 2.730 3.766 -7.393) 8.734 8.335 ( 5.454 -0.266 -5.405) 7.684 8.690 ( 4.362 4.321 1.473) 6.314 8.778 ( 3.296 -3.417 -4.721) 6.695 9.204 ( -4.853 3.545 3.475) 6.943 9.275 ( -7.416 -3.364 7.177) 10.854 9.521 ( 11.563 3.079 0.371) 11.972 9.587 ( 12.707 -2.148 -4.543) 13.665 9.830 ( -2.625 11.599 7.843) 14.246 10.017 ( -2.271 -5.769 0.329) 6.208 10.852 ( -11.960 10.458 4.778) 16.590 11.026 ( -9.450 -4.966 4.998) 11.787 11.153 ( -0.332 5.472 7.307) 9.135 11.199 ( -5.777 1.109 1.409) 6.049 11.398 ( 1.925 5.434 -4.780) 7.489 11.513 ( -0.391 -6.400 -5.009) 8.137 12.198 ( -12.176 2.858 -0.073) 12.507 12.284 ( -12.352 -5.506 -0.001) 13.524 12.647 ( 12.609 6.198 5.229) 14.992 12.762 ( 17.830 -4.530 3.942) 18.814 13.495 ( -5.991 9.558 6.886) 13.216 13.633 ( -8.620 -0.029 0.233) 8.623 14.064 ( -20.376 -2.422 -0.441) 20.524 14.249 ( -16.105 -17.911 -4.097) 24.432 15.417 ( 3.316 5.714 -0.865) 6.663 15.529 ( 5.799 -4.862 1.373) 7.691 15.897 ( 17.951 11.941 -2.337) 21.686 16.121 ( 12.789 -8.912 -3.216) 15.916 16.463 ( -2.151 2.609 10.354) 10.892 16.558 ( -0.116 -6.299 13.779) 15.151 17.659 ( -2.915 4.688 0.537) 5.547 17.822 ( 0.648 -11.394 -0.281) 11.416 18.390 ( -8.646 7.099 -0.762) 11.213 18.538 ( -8.735 -7.049 -0.142) 11.226 19.485 ( 4.174 21.468 -6.334) 22.768 19.947 ( 7.190 -23.736 -9.716) 26.636 23.272 ( -3.176 18.470 5.002) 19.397 23.626 ( -0.281 -16.698 3.584) 17.080 25.008 ( 1.705 8.170 -12.782) 15.266 25.178 ( 3.097 -8.450 -12.761) 15.615 ======================= Grid point 94 (52/125) ======================= q-point: ( 0.43 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -3.379 4.721 6.365) 8.615 1.755 ( -2.674 -0.352 9.698) 10.066 2.046 ( 2.395 2.342 1.641) 3.730 2.109 ( 0.867 -3.382 0.047) 3.492 2.540 ( 1.169 4.068 7.908) 8.970 2.621 ( -1.312 -3.982 8.605) 9.572 2.674 ( -0.073 10.640 4.634) 11.606 2.781 ( 6.478 3.865 -2.522) 7.954 2.822 ( -1.651 -5.530 -0.893) 5.840 2.966 ( -0.891 -11.072 0.657) 11.127 3.242 ( -2.831 0.544 8.490) 8.967 3.284 ( -0.986 -2.956 3.404) 4.615 3.644 ( 9.542 6.543 4.205) 12.310 3.809 ( 4.256 -8.903 5.185) 11.147 4.095 ( -4.738 7.205 1.073) 8.690 4.168 ( -1.259 0.782 6.937) 7.093 4.402 ( -3.856 9.679 6.753) 12.416 4.560 ( -2.639 -6.153 8.570) 10.875 5.107 ( 4.200 1.805 -1.267) 4.743 5.136 ( 0.011 -0.016 -3.553) 3.553 5.192 ( 3.541 6.916 0.724) 7.803 5.378 ( -0.910 -11.132 2.123) 11.369 5.935 ( 1.644 6.317 -6.048) 8.899 6.037 ( 2.236 -2.292 -8.871) 9.431 6.255 ( -1.560 4.990 8.787) 10.225 6.379 ( -4.437 -5.998 5.571) 9.311 6.645 ( -0.970 2.487 7.822) 8.265 6.673 ( 1.570 -0.233 8.635) 8.780 7.440 ( 0.979 4.124 -0.211) 4.243 7.522 ( -4.089 -2.937 -1.385) 5.221 7.808 ( -4.142 -1.715 1.639) 4.773 7.858 ( -2.238 -6.610 2.054) 7.275 8.358 ( 6.054 5.387 -8.594) 11.812 8.443 ( 6.386 -1.964 -3.083) 7.358 8.757 ( 2.863 4.167 -1.734) 5.345 8.829 ( 3.352 -2.814 -3.578) 5.653 9.100 ( -7.118 3.703 4.302) 9.104 9.179 ( -4.796 -2.936 5.074) 7.574 9.712 ( -0.037 11.654 -3.607) 12.199 9.750 ( 10.898 6.661 0.302) 12.776 9.903 ( 0.714 -1.512 5.893) 6.126 9.934 ( 5.341 -9.380 -4.316) 11.625 10.660 ( -9.491 11.917 0.672) 15.250 10.847 ( -10.324 -5.048 -0.930) 11.529 11.064 ( -6.378 1.557 1.647) 6.769 11.095 ( -6.805 -0.564 6.987) 9.769 11.506 ( 7.582 8.447 1.376) 11.434 11.633 ( 11.348 -3.928 0.357) 12.013 11.969 ( -11.054 2.181 1.859) 11.419 12.078 ( -7.730 -7.892 1.551) 11.155 12.832 ( 2.568 10.508 3.608) 11.403 13.038 ( 6.086 -9.613 4.053) 12.078 13.443 ( -2.582 8.045 3.264) 9.057 13.542 ( 3.870 6.194 -2.500) 7.720 13.723 ( -14.997 -2.462 0.515) 15.207 14.021 ( -5.051 -22.347 -2.554) 23.052 15.475 ( 2.737 6.218 1.942) 7.066 15.617 ( 2.685 -7.878 3.703) 9.109 16.141 ( 7.974 7.664 -4.993) 12.135 16.235 ( 1.196 -1.500 -6.408) 6.689 16.467 ( -1.716 5.502 11.082) 12.491 16.620 ( 0.576 -8.238 13.368) 15.713 17.647 ( 0.709 6.670 4.324) 7.981 17.857 ( 2.287 -14.022 3.163) 14.555 18.242 ( -5.151 6.628 -2.808) 8.852 18.389 ( -5.532 -7.199 -2.917) 9.536 19.514 ( 1.323 22.512 -7.020) 23.618 20.002 ( 2.747 -25.126 -11.143) 27.623 23.244 ( -1.657 20.326 5.562) 21.138 23.634 ( -0.342 -18.344 3.846) 18.746 24.995 ( 1.947 9.389 -12.996) 16.150 25.186 ( 2.694 -9.353 -12.743) 16.035 ======================= Grid point 95 (53/125) ======================= q-point: (-0.43 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -2.085 4.719 5.630) 7.636 1.739 ( -2.351 -2.408 8.597) 9.232 2.058 ( -1.248 4.260 1.120) 4.578 2.152 ( 2.462 -4.679 2.290) 5.762 2.557 ( -4.834 4.700 6.892) 9.642 2.593 ( -3.716 4.380 7.088) 9.123 2.667 ( 0.951 3.122 2.954) 4.402 2.823 ( 3.310 -6.823 -1.852) 7.807 2.870 ( 1.309 1.131 -1.034) 2.015 2.972 ( -1.235 -9.029 3.217) 9.664 3.232 ( -1.269 2.424 11.563) 11.883 3.303 ( 0.894 -2.608 5.786) 6.409 3.731 ( -4.973 3.476 7.400) 9.569 3.878 ( 0.453 -8.894 8.143) 12.067 4.082 ( 4.509 10.398 -0.531) 11.346 4.181 ( 1.075 2.715 6.415) 7.048 4.327 ( -5.855 9.526 3.702) 11.778 4.514 ( -5.276 -8.080 7.182) 12.029 5.039 ( -7.229 4.580 -3.426) 9.218 5.116 ( -4.332 -2.628 -2.167) 5.511 5.241 ( 1.786 3.910 0.729) 4.360 5.345 ( -2.305 -7.651 2.536) 8.383 5.941 ( 1.023 7.442 -7.199) 10.404 6.061 ( 3.365 -1.538 -10.146) 10.800 6.208 ( -5.515 0.640 5.776) 8.012 6.293 ( -5.506 -5.251 3.220) 8.262 6.640 ( -2.773 4.872 10.233) 11.668 6.713 ( -1.781 -2.238 9.416) 9.840 7.453 ( 1.801 2.882 -1.264) 3.625 7.511 ( 2.755 -3.173 -3.444) 5.433 7.796 ( 4.898 6.415 4.125) 9.064 7.987 ( 9.292 -11.278 7.309) 16.339 8.415 ( 2.895 7.114 -6.459) 10.035 8.517 ( 1.355 -1.059 1.922) 2.579 8.793 ( 2.692 1.563 -6.285) 7.014 8.851 ( 0.083 -3.045 -3.585) 4.704 9.003 ( -4.862 5.940 5.581) 9.491 9.117 ( -3.751 -4.341 3.346) 6.641 9.661 ( -4.170 8.986 1.262) 9.987 9.760 ( -8.410 -0.771 -0.512) 8.460 9.962 ( 8.840 8.603 2.951) 12.683 10.159 ( 9.069 -9.692 2.473) 13.502 10.488 ( -6.782 9.308 -5.962) 12.969 10.643 ( -8.255 -4.883 -10.008) 13.862 11.030 ( 2.789 3.283 3.369) 5.469 11.086 ( 4.681 -2.423 5.782) 7.824 11.589 ( -0.218 10.191 5.490) 11.578 11.752 ( -3.545 -6.407 7.011) 10.138 11.960 ( 12.777 3.909 -0.591) 13.375 12.074 ( 6.474 -7.175 -0.108) 9.664 12.749 ( -9.237 10.629 0.734) 14.101 12.971 ( -10.773 -10.857 0.843) 15.318 13.377 ( -6.171 9.161 -0.248) 11.049 13.571 ( -2.104 -6.190 0.540) 6.560 13.778 ( 18.067 6.360 1.633) 19.223 14.075 ( 11.063 -19.287 -0.008) 22.235 15.526 ( 0.959 5.860 4.266) 7.312 15.650 ( -1.112 -6.515 5.084) 8.338 16.111 ( -9.199 6.223 -7.527) 13.417 16.181 ( -3.124 -1.133 -6.163) 7.001 16.463 ( -2.941 5.967 11.340) 13.147 16.642 ( -3.797 -10.406 13.114) 17.166 17.701 ( 2.244 8.120 6.934) 10.911 17.917 ( 2.039 -13.172 6.072) 14.647 18.217 ( 4.050 4.811 -4.335) 7.639 18.338 ( 2.076 -6.639 -5.615) 8.939 19.486 ( -1.029 22.710 -8.456) 24.255 19.972 ( -1.290 -24.832 -12.446) 27.806 23.252 ( 0.253 20.288 5.973) 21.151 23.641 ( -0.530 -18.280 4.206) 18.765 24.989 ( 2.537 9.757 -13.331) 16.714 25.185 ( 2.194 -9.546 -12.838) 16.148 ======================= Grid point 96 (54/125) ======================= q-point: (-0.29 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -0.308 4.811 5.816) 7.554 1.735 ( -1.404 -2.862 8.595) 9.168 2.020 ( -3.420 8.764 2.990) 9.872 2.186 ( -0.523 -6.972 2.015) 7.276 2.464 ( -4.090 7.893 2.037) 9.120 2.540 ( -4.432 2.429 0.824) 5.121 2.681 ( -1.724 0.818 -0.285) 1.929 2.874 ( -1.559 -13.699 0.454) 13.795 2.895 ( 3.204 0.564 0.986) 3.399 2.929 ( -0.871 -2.013 5.099) 5.551 3.264 ( -0.711 0.653 10.510) 10.554 3.333 ( -1.583 -2.899 9.497) 10.055 3.616 ( -8.019 6.925 8.317) 13.470 3.851 ( -4.945 -13.733 7.814) 16.556 4.172 ( -2.696 18.510 6.374) 19.761 4.213 ( 1.351 6.968 -1.106) 7.183 4.253 ( -1.519 3.057 -0.112) 3.415 4.469 ( 0.678 -10.659 6.993) 12.766 4.845 ( -10.526 6.865 -2.614) 12.836 4.986 ( -7.613 -6.603 -0.096) 10.078 5.280 ( 1.579 3.327 3.167) 4.857 5.339 ( -0.298 -3.265 5.665) 6.545 5.914 ( -0.645 8.123 -8.187) 11.551 6.061 ( 0.725 0.808 -11.590) 11.640 6.118 ( -5.025 -3.141 2.169) 6.311 6.213 ( -3.545 -6.099 -0.276) 7.060 6.631 ( -2.320 3.388 11.994) 12.677 6.680 ( -4.551 -1.556 10.101) 11.187 7.541 ( 7.229 1.824 -1.391) 7.584 7.583 ( 6.318 -3.111 -2.502) 7.474 7.944 ( 6.552 9.614 4.522) 12.482 8.140 ( 3.194 -8.787 1.300) 9.440 8.453 ( 3.231 7.860 0.155) 8.500 8.518 ( -1.708 3.373 3.884) 5.421 8.806 ( -3.788 -2.249 -4.728) 6.462 8.810 ( 2.109 -4.487 -10.248) 11.384 8.966 ( -0.927 5.170 8.618) 10.092 9.060 ( -3.601 -3.899 3.394) 6.300 9.560 ( -5.197 4.464 1.188) 6.953 9.608 ( -7.832 0.169 1.896) 8.060 9.996 ( -8.659 8.319 8.921) 14.959 10.181 ( -9.403 -8.765 3.764) 13.394 10.494 ( 12.060 6.064 -11.791) 17.923 10.602 ( 10.788 -4.526 -11.310) 16.272 11.167 ( 8.134 5.487 4.439) 10.769 11.242 ( 6.891 -1.755 5.231) 8.828 11.615 ( 2.019 8.781 7.852) 11.951 11.749 ( 1.588 -4.049 6.578) 7.885 12.171 ( 5.627 0.917 -4.022) 6.978 12.218 ( 7.389 -2.503 -4.354) 8.934 12.607 ( -5.135 6.498 5.223) 9.791 12.766 ( -10.088 -8.085 4.072) 13.554 13.297 ( 1.324 12.333 -3.133) 12.794 13.583 ( 4.285 -13.414 -0.488) 14.091 14.156 ( 20.420 5.172 2.189) 21.179 14.354 ( 15.787 -13.363 1.334) 20.726 15.507 ( -6.114 8.048 2.822) 10.493 15.609 ( -4.744 -2.612 4.561) 7.080 15.847 ( -14.184 6.124 -4.495) 16.090 16.013 ( -12.236 -8.622 -6.830) 16.453 16.453 ( -2.521 3.838 11.582) 12.459 16.596 ( -5.415 -9.688 14.110) 17.952 17.768 ( 2.262 8.056 5.842) 10.205 17.972 ( 0.879 -11.973 6.959) 13.876 18.333 ( 8.989 3.488 -4.096) 10.476 18.415 ( 7.628 -4.498 -6.333) 10.887 19.429 ( -1.021 20.860 -9.261) 22.846 19.868 ( -4.558 -22.369 -13.046) 26.293 23.290 ( 1.198 18.391 5.895) 19.350 23.641 ( -1.165 -16.538 4.356) 17.141 24.994 ( 3.266 9.011 -13.530) 16.581 25.176 ( 1.936 -8.912 -12.944) 15.835 ======================= Grid point 97 (55/125) ======================= q-point: (-0.14 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 0.103 4.739 7.182) 8.605 1.743 ( -1.319 -1.197 8.711) 8.891 1.964 ( -3.564 12.326 4.364) 13.553 2.143 ( -3.413 -3.043 0.808) 4.644 2.408 ( -5.900 5.292 5.348) 9.562 2.466 ( -0.497 -1.380 -6.580) 6.741 2.641 ( 0.168 -0.108 -2.482) 2.490 2.773 ( -5.708 -10.498 -1.941) 12.107 2.981 ( 4.120 -1.316 3.125) 5.336 3.001 ( 3.998 -3.870 3.646) 6.652 3.251 ( -4.007 0.950 6.540) 7.728 3.311 ( -4.636 -5.061 12.949) 14.656 3.524 ( -4.864 8.053 7.473) 12.015 3.780 ( -5.301 -14.711 5.619) 16.615 4.064 ( -6.097 11.648 1.405) 13.222 4.164 ( -4.718 0.736 -2.532) 5.405 4.292 ( 3.631 15.026 3.647) 15.883 4.552 ( 1.508 -8.804 5.620) 10.553 4.700 ( -3.051 8.377 0.867) 8.957 4.867 ( -4.881 -7.656 1.385) 9.185 5.316 ( 0.402 3.010 5.580) 6.353 5.353 ( -1.333 -1.064 8.555) 8.723 5.882 ( 0.974 7.546 -7.695) 10.821 6.021 ( -0.802 5.600 -6.961) 8.970 6.049 ( -1.624 -6.914 -4.126) 8.214 6.157 ( -1.751 -6.720 -2.472) 7.371 6.633 ( -2.796 1.165 9.905) 10.358 6.648 ( -1.677 0.361 10.060) 10.206 7.667 ( 5.498 1.143 -0.408) 5.631 7.709 ( 6.540 -3.574 0.361) 7.462 8.033 ( 1.873 6.493 1.578) 6.939 8.127 ( -3.145 -2.739 -1.378) 4.392 8.494 ( -0.860 6.648 -0.023) 6.704 8.508 ( 0.805 5.649 0.966) 5.787 8.666 ( -8.003 3.377 -5.022) 10.033 8.802 ( -0.008 -8.383 -7.497) 11.246 9.009 ( -0.339 0.579 4.262) 4.315 9.055 ( 3.758 -3.675 9.386) 10.757 9.496 ( -3.449 4.081 2.078) 5.733 9.541 ( 1.984 -1.221 -0.303) 2.349 9.826 ( -10.129 5.519 7.748) 13.896 9.974 ( -11.176 -8.481 4.802) 14.829 10.728 ( 13.490 5.977 -4.972) 15.570 10.831 ( 13.776 -3.841 -5.340) 15.266 11.291 ( 2.678 5.087 2.219) 6.163 11.327 ( 0.472 1.843 3.252) 3.768 11.717 ( 4.082 8.683 8.127) 12.574 11.837 ( 4.457 -1.024 6.143) 7.658 12.136 ( -5.451 2.245 -5.053) 7.765 12.244 ( -0.364 -5.607 -6.754) 8.786 12.560 ( -3.862 2.626 3.233) 5.680 12.638 ( -5.533 -3.876 3.292) 7.515 13.488 ( 18.002 11.077 0.556) 21.144 13.746 ( 10.915 -12.791 2.520) 17.003 14.515 ( 15.977 1.096 0.878) 16.039 14.590 ( 6.754 -5.993 0.982) 9.083 15.310 ( -11.425 14.276 -0.912) 18.307 15.519 ( -5.963 -2.094 2.159) 6.678 15.619 ( -10.090 -0.753 -0.284) 10.123 15.726 ( -12.978 -13.626 -5.285) 19.546 16.452 ( -2.107 2.711 11.768) 12.259 16.559 ( -4.222 -6.996 14.461) 16.610 17.818 ( 1.097 5.541 2.584) 6.211 17.979 ( -2.557 -10.087 3.381) 10.941 18.495 ( 8.395 3.413 -1.138) 9.133 18.545 ( 7.560 -1.674 -3.386) 8.451 19.402 ( 1.970 14.720 -9.241) 17.492 19.727 ( -4.473 -17.294 -12.469) 21.785 23.330 ( 0.571 15.732 5.400) 16.643 23.630 ( -1.659 -14.107 4.269) 14.831 25.010 ( 3.544 7.559 -13.476) 15.852 25.166 ( 2.050 -7.794 -12.992) 15.288 ======================= Grid point 126 (56/125) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 13.902 0.000 21.130) 25.293 1.219 ( -3.064 0.000 31.316) 31.466 1.648 ( -5.446 0.000 -4.913) 7.334 2.153 ( -15.324 0.000 21.323) 26.258 2.279 ( 0.649 0.000 1.430) 1.570 2.441 ( -0.412 0.000 50.672) 50.674 2.615 ( 0.303 0.000 -2.543) 2.561 2.829 ( 2.370 0.000 2.170) 3.213 2.993 ( 0.150 0.000 -16.775) 16.776 3.332 ( -1.074 0.000 -3.563) 3.721 3.345 ( 3.172 0.000 -5.060) 5.972 3.857 ( -8.988 0.000 26.914) 28.375 3.911 ( -0.551 0.000 9.403) 9.419 4.018 ( 0.889 0.000 2.206) 2.379 4.060 ( 1.502 0.000 10.712) 10.816 4.188 ( 3.964 0.000 13.097) 13.684 4.354 ( -4.212 0.000 -11.980) 12.699 4.385 ( -4.581 0.000 4.212) 6.223 4.716 ( -6.428 0.000 -6.981) 9.490 5.086 ( 4.601 0.000 -19.774) 20.302 5.216 ( -2.223 0.000 -20.196) 20.318 5.410 ( 3.856 0.000 -1.589) 4.171 5.493 ( -8.033 0.000 3.248) 8.665 5.555 ( 11.733 0.000 -6.184) 13.263 5.953 ( -0.018 0.000 11.948) 11.948 6.348 ( 1.563 0.000 0.101) 1.566 6.701 ( 1.542 0.000 4.306) 4.574 7.090 ( 11.551 0.000 -4.219) 12.297 7.387 ( 0.366 0.000 0.669) 0.762 7.844 ( 5.973 0.000 -3.225) 6.788 7.865 ( 0.077 0.000 -9.507) 9.508 7.884 ( -7.410 0.000 -3.931) 8.388 8.100 ( -2.669 0.000 -0.303) 2.686 8.125 ( -1.263 0.000 -1.054) 1.645 8.463 ( 0.009 0.000 9.786) 9.786 8.822 ( 2.084 0.000 14.022) 14.176 8.907 ( -2.854 0.000 -5.798) 6.463 9.337 ( -0.174 0.000 1.850) 1.858 9.366 ( 3.674 0.000 -4.924) 6.144 9.546 ( 6.853 0.000 1.730) 7.068 9.729 ( 1.968 0.000 -3.035) 3.617 10.040 ( 4.859 0.000 -20.044) 20.624 10.385 ( -7.445 0.000 10.437) 12.820 10.881 ( -13.855 0.000 10.705) 17.508 10.917 ( -11.529 0.000 -5.415) 12.738 11.143 ( 2.379 0.000 0.125) 2.382 11.353 ( -0.241 0.000 6.414) 6.418 11.818 ( 6.688 0.000 2.137) 7.021 12.339 ( 1.998 0.000 -6.977) 7.257 12.501 ( 2.227 0.000 -1.730) 2.819 12.797 ( -34.435 0.000 9.159) 35.632 12.845 ( -8.379 0.000 2.760) 8.822 13.059 ( 3.710 0.000 -3.799) 5.310 13.208 ( 5.639 0.000 -0.902) 5.711 14.700 ( 20.481 0.000 2.708) 20.660 14.744 ( 1.545 0.000 4.043) 4.328 15.276 ( 5.651 0.000 3.588) 6.694 15.437 ( -3.787 0.000 12.341) 12.909 15.603 ( -7.093 0.000 -9.336) 11.725 16.223 ( 1.919 0.000 -11.474) 11.633 16.908 ( -8.924 0.000 15.439) 17.832 17.478 ( 5.999 0.000 3.794) 7.098 18.201 ( -1.075 0.000 -5.275) 5.384 18.331 ( 3.748 0.000 -8.041) 8.871 18.651 ( -17.988 0.000 12.128) 21.695 18.956 ( -3.983 0.000 -1.693) 4.328 19.008 ( 13.824 0.000 11.893) 18.236 20.520 ( 7.156 0.000 -32.034) 32.824 22.909 ( -5.642 0.000 29.192) 29.733 24.307 ( 6.303 0.000 -17.777) 18.861 24.330 ( 1.722 0.000 7.862) 8.048 25.226 ( 2.392 0.000 -18.452) 18.607 ======================= Grid point 127 (57/125) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -3.415 0.000 21.352) 21.624 1.393 ( 23.301 0.000 16.516) 28.561 1.675 ( 8.352 0.000 0.659) 8.378 1.950 ( -13.510 0.000 20.569) 24.609 2.328 ( 3.973 0.000 2.344) 4.613 2.604 ( 0.215 0.000 -4.433) 4.438 2.701 ( 6.859 0.000 49.892) 50.361 2.826 ( -3.345 0.000 3.696) 4.985 2.927 ( 2.451 0.000 -20.308) 20.456 3.392 ( 5.753 0.000 -0.500) 5.774 3.392 ( 1.741 0.000 -3.190) 3.634 3.748 ( -11.967 0.000 26.998) 29.531 3.917 ( -2.274 0.000 9.797) 10.057 3.997 ( -2.167 0.000 -0.441) 2.211 4.028 ( -7.162 0.000 6.200) 9.473 4.144 ( -9.224 0.000 10.635) 14.078 4.214 ( -5.476 0.000 -13.156) 14.250 4.501 ( 7.439 0.000 13.574) 15.479 4.671 ( 3.580 0.000 -3.792) 5.215 5.083 ( 2.361 0.000 -18.154) 18.307 5.166 ( 5.275 0.000 -22.514) 23.124 5.333 ( -9.143 0.000 3.552) 9.809 5.432 ( 1.699 0.000 -6.551) 6.768 5.790 ( 12.064 0.000 -3.717) 12.624 6.045 ( 3.671 0.000 15.506) 15.935 6.408 ( 5.319 0.000 -1.539) 5.537 6.768 ( 3.185 0.000 5.124) 6.033 7.226 ( 3.621 0.000 -6.529) 7.466 7.410 ( 3.201 0.000 -4.916) 5.866 7.654 ( -13.012 0.000 -3.699) 13.527 7.797 ( -3.834 0.000 -7.452) 8.380 7.929 ( 3.659 0.000 -1.352) 3.901 8.018 ( -4.854 0.000 -2.369) 5.401 8.129 ( 0.370 0.000 5.440) 5.453 8.395 ( -9.502 0.000 6.609) 11.574 8.811 ( -3.351 0.000 -9.901) 10.453 8.903 ( 1.552 0.000 10.277) 10.394 9.410 ( 2.898 0.000 -1.913) 3.472 9.436 ( 3.467 0.000 -1.633) 3.833 9.526 ( -16.434 0.000 8.901) 18.690 9.664 ( 4.558 0.000 4.297) 6.264 9.983 ( -21.975 0.000 11.997) 25.037 10.047 ( 4.843 0.000 -23.293) 23.791 10.559 ( -21.485 0.000 -5.775) 22.247 10.999 ( 7.711 0.000 15.627) 17.426 11.258 ( 6.779 0.000 3.479) 7.620 11.355 ( -1.985 0.000 6.195) 6.505 11.946 ( 6.673 0.000 -2.746) 7.216 12.380 ( 2.570 0.000 -4.610) 5.278 12.417 ( -9.719 0.000 4.632) 10.766 12.612 ( 6.624 0.000 6.354) 9.179 12.749 ( -2.299 0.000 2.539) 3.426 13.191 ( 10.520 0.000 -2.846) 10.898 13.271 ( 1.588 0.000 5.404) 5.633 14.907 ( 14.759 0.000 1.379) 14.823 14.913 ( 2.533 0.000 0.080) 2.534 15.349 ( -6.674 0.000 6.232) 9.131 15.399 ( -9.916 0.000 -11.387) 15.099 15.544 ( 16.164 0.000 6.002) 17.242 16.217 ( 1.394 0.000 -11.989) 12.069 16.781 ( -9.932 0.000 13.604) 16.844 17.591 ( 3.184 0.000 7.414) 8.069 18.125 ( -3.722 0.000 -11.459) 12.049 18.345 ( -2.938 0.000 -5.595) 6.320 18.382 ( -14.422 0.000 12.426) 19.037 18.747 ( -12.513 0.000 8.523) 15.140 19.282 ( 9.401 0.000 14.557) 17.329 20.577 ( 10.774 0.000 -34.833) 36.461 22.719 ( -21.032 0.000 31.677) 38.023 24.326 ( 2.572 0.000 -18.084) 18.266 24.454 ( 6.328 0.000 3.244) 7.111 25.216 ( 3.841 0.000 -18.541) 18.934 ======================= Grid point 128 (58/125) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 1.107 0.000 16.203) 16.241 1.766 ( -3.075 0.000 18.452) 18.706 1.887 ( 11.440 0.000 4.522) 12.301 1.890 ( 11.910 0.000 16.064) 19.998 2.445 ( 7.369 0.000 2.190) 7.687 2.601 ( 1.547 0.000 -6.478) 6.660 2.737 ( -7.305 0.000 3.492) 8.097 2.844 ( -0.087 0.000 -4.507) 4.508 3.112 ( 14.391 0.000 23.300) 27.386 3.329 ( -7.914 0.000 -2.585) 8.325 3.418 ( -6.965 0.000 7.977) 10.590 3.672 ( -5.461 0.000 15.205) 16.156 3.847 ( -11.345 0.000 14.342) 18.287 3.906 ( -2.806 0.000 9.121) 9.543 3.990 ( 2.526 0.000 -2.688) 3.689 4.060 ( -5.002 0.000 14.632) 15.464 4.120 ( 0.967 0.000 -8.264) 8.321 4.638 ( 1.653 0.000 13.106) 13.210 4.752 ( 6.230 0.000 -8.789) 10.773 5.075 ( 3.901 0.000 -17.007) 17.449 5.196 ( 5.012 0.000 -19.379) 20.017 5.219 ( -4.409 0.000 8.038) 9.168 5.443 ( 2.346 0.000 -8.336) 8.660 5.921 ( 3.714 0.000 -6.698) 7.659 6.175 ( 3.006 0.000 18.196) 18.442 6.533 ( 7.930 0.000 -2.737) 8.389 6.836 ( 1.382 0.000 6.629) 6.771 7.096 ( -17.047 0.000 6.593) 18.277 7.468 ( -3.097 0.000 -4.068) 5.113 7.494 ( 8.139 0.000 -14.172) 16.343 7.675 ( -5.834 0.000 -5.434) 7.973 7.939 ( -1.731 0.000 -3.988) 4.348 7.973 ( 1.344 0.000 -0.273) 1.371 8.185 ( 3.418 0.000 6.822) 7.631 8.217 ( -10.829 0.000 4.664) 11.791 8.736 ( 0.267 0.000 -13.028) 13.031 8.928 ( -4.414 0.000 13.833) 14.520 9.135 ( -12.766 0.000 -1.829) 12.896 9.428 ( -3.455 0.000 -6.044) 6.962 9.670 ( 6.501 0.000 -2.956) 7.141 9.725 ( -5.764 0.000 18.227) 19.116 9.734 ( 1.158 0.000 1.359) 1.786 9.955 ( -11.581 0.000 -17.961) 21.371 10.291 ( 2.925 0.000 -4.519) 5.382 11.080 ( -4.469 0.000 11.038) 11.908 11.381 ( 3.973 0.000 5.090) 6.457 11.397 ( 2.950 0.000 14.808) 15.099 12.018 ( 2.417 0.000 -8.994) 9.313 12.331 ( -1.544 0.000 -0.779) 1.730 12.373 ( -1.272 0.000 -0.003) 1.272 12.762 ( 1.315 0.000 4.012) 4.222 12.791 ( 9.305 0.000 4.787) 10.464 13.349 ( 3.791 0.000 8.595) 9.394 13.411 ( 13.438 0.000 -2.594) 13.686 14.837 ( -11.733 0.000 5.366) 12.902 15.172 ( -8.154 0.000 -6.885) 10.672 15.249 ( -4.250 0.000 5.739) 7.142 15.287 ( 23.623 0.000 -5.675) 24.295 15.864 ( 14.993 0.000 1.891) 15.112 16.166 ( -2.697 0.000 -12.166) 12.461 16.654 ( -8.438 0.000 14.872) 17.099 17.635 ( -1.986 0.000 10.951) 11.129 17.994 ( -5.850 0.000 -6.593) 8.815 18.142 ( -14.637 0.000 4.539) 15.325 18.226 ( -5.598 0.000 4.271) 7.041 18.677 ( -0.016 0.000 2.287) 2.287 19.448 ( 2.613 0.000 14.066) 14.306 20.644 ( 9.134 0.000 -32.233) 33.502 22.466 ( -17.563 0.000 33.014) 37.395 24.277 ( 0.197 0.000 -20.798) 20.799 24.551 ( 3.125 0.000 1.492) 3.463 25.233 ( 4.839 0.000 -17.713) 18.362 ======================= Grid point 129 (59/125) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.284 0.000 17.172) 17.175 1.694 ( -8.063 0.000 17.924) 19.654 2.084 ( 6.202 0.000 7.647) 9.846 2.210 ( 12.122 0.000 14.279) 18.731 2.518 ( -4.427 0.000 -3.108) 5.409 2.602 ( 0.404 0.000 -5.431) 5.446 2.691 ( 6.773 0.000 1.112) 6.864 2.811 ( -0.695 0.000 -5.806) 5.847 3.106 ( -13.173 0.000 -1.314) 13.238 3.220 ( -12.523 0.000 6.864) 14.280 3.459 ( -15.625 0.000 6.651) 16.982 3.478 ( 9.591 0.000 24.005) 25.850 3.826 ( -4.440 0.000 25.974) 26.351 3.905 ( 1.104 0.000 3.062) 3.255 4.052 ( 4.023 0.000 -4.024) 5.690 4.053 ( -2.493 0.000 17.721) 17.895 4.186 ( 7.461 0.000 -2.521) 7.875 4.674 ( -1.701 0.000 10.414) 10.552 4.832 ( 6.734 0.000 -12.640) 14.322 5.095 ( 3.941 0.000 -13.510) 14.073 5.193 ( 1.976 0.000 -18.473) 18.578 5.241 ( 2.772 0.000 11.611) 11.937 5.450 ( 1.448 0.000 -9.507) 9.617 5.902 ( -1.772 0.000 -10.029) 10.184 6.273 ( -0.055 0.000 18.067) 18.067 6.638 ( 3.598 0.000 -2.498) 4.380 6.754 ( -20.689 0.000 14.353) 25.180 6.850 ( -3.321 0.000 8.032) 8.692 7.433 ( 0.067 0.000 -1.840) 1.841 7.591 ( 0.201 0.000 -7.110) 7.113 7.621 ( 10.176 0.000 -15.328) 18.398 7.902 ( -0.923 0.000 -6.214) 6.282 7.989 ( 0.212 0.000 2.245) 2.255 8.037 ( -9.037 0.000 3.126) 9.562 8.315 ( 7.543 0.000 7.204) 10.430 8.730 ( 4.436 0.000 -14.874) 15.521 8.829 ( -9.037 0.000 6.727) 11.266 8.984 ( -6.357 0.000 3.970) 7.495 9.285 ( -6.125 0.000 -12.456) 13.881 9.499 ( -7.702 0.000 -4.953) 9.158 9.669 ( -6.875 0.000 -8.726) 11.109 9.757 ( -0.793 0.000 -3.048) 3.150 10.041 ( 17.048 0.000 18.077) 24.848 10.470 ( 12.680 0.000 -1.265) 12.743 10.973 ( -9.626 0.000 7.193) 12.017 11.434 ( 0.521 0.000 2.466) 2.521 11.521 ( 3.054 0.000 16.940) 17.214 11.957 ( -4.676 0.000 -10.188) 11.210 12.334 ( 2.407 0.000 -2.697) 3.615 12.374 ( 1.506 0.000 0.486) 1.582 12.808 ( 1.309 0.000 6.325) 6.459 12.976 ( 8.447 0.000 4.077) 9.380 13.424 ( -0.205 0.000 7.077) 7.080 13.648 ( 12.158 0.000 -3.498) 12.651 14.552 ( -19.373 0.000 9.097) 21.403 15.024 ( -3.233 0.000 -9.395) 9.936 15.244 ( 0.562 0.000 6.890) 6.913 15.735 ( 23.412 0.000 -3.709) 23.704 16.020 ( -8.032 0.000 -10.972) 13.597 16.057 ( 4.340 0.000 -7.660) 8.804 16.632 ( 0.373 0.000 25.694) 25.697 17.603 ( -6.047 0.000 10.536) 12.148 17.902 ( -1.891 0.000 3.540) 4.014 17.934 ( -8.762 0.000 7.056) 11.250 18.189 ( 1.346 0.000 -3.987) 4.208 18.671 ( -1.320 0.000 -3.193) 3.455 19.484 ( -3.800 0.000 12.318) 12.891 20.679 ( 6.579 0.000 -28.975) 29.712 22.311 ( -11.918 0.000 33.060) 35.143 24.202 ( 0.936 0.000 -23.416) 23.434 24.589 ( 0.635 0.000 1.147) 1.311 25.260 ( 4.611 0.000 -16.916) 17.534 ======================= Grid point 130 (60/125) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -7.421 0.000 20.405) 21.713 1.572 ( -12.246 0.000 11.741) 16.966 2.146 ( -3.008 0.000 9.587) 10.048 2.433 ( 6.221 0.000 13.522) 14.885 2.454 ( 2.758 0.000 -7.059) 7.579 2.561 ( -6.253 0.000 11.005) 12.658 2.686 ( -11.496 0.000 -6.961) 13.439 2.772 ( -4.355 0.000 2.372) 4.959 3.000 ( -12.521 0.000 10.798) 16.535 3.029 ( 7.758 0.000 5.124) 9.298 3.197 ( -7.987 0.000 -1.064) 8.058 3.736 ( 7.844 0.000 14.793) 16.744 3.818 ( -4.786 0.000 21.886) 22.403 3.962 ( 3.027 0.000 4.621) 5.524 4.053 ( -5.268 0.000 17.190) 17.979 4.068 ( -1.273 0.000 -2.300) 2.628 4.344 ( 9.341 0.000 -3.380) 9.934 4.665 ( -2.914 0.000 8.168) 8.673 4.909 ( 5.643 0.000 -11.451) 12.766 5.122 ( 2.882 0.000 -8.728) 9.191 5.148 ( 1.482 0.000 -19.910) 19.965 5.379 ( 6.373 0.000 11.045) 12.752 5.424 ( 0.218 0.000 -10.750) 10.752 5.798 ( -4.771 0.000 -12.249) 13.146 6.264 ( -7.737 0.000 9.313) 12.108 6.527 ( -8.956 0.000 27.724) 29.135 6.626 ( -5.215 0.000 -0.992) 5.309 6.792 ( -3.789 0.000 6.330) 7.377 7.438 ( 0.477 0.000 -0.575) 0.747 7.606 ( 2.856 0.000 -7.230) 7.774 7.733 ( 4.886 0.000 -8.917) 10.167 7.858 ( -0.138 0.000 -9.266) 9.267 7.957 ( 1.898 0.000 1.762) 2.590 8.009 ( 1.446 0.000 3.217) 3.527 8.521 ( 12.054 0.000 4.930) 13.023 8.665 ( -9.284 0.000 -0.872) 9.325 8.792 ( 7.726 0.000 -15.133) 16.992 8.869 ( -8.845 0.000 13.597) 16.221 9.190 ( 1.227 0.000 -10.549) 10.620 9.402 ( -1.016 0.000 -4.687) 4.796 9.545 ( -4.866 0.000 -3.258) 5.856 9.783 ( 5.835 0.000 -8.542) 10.345 10.437 ( 17.219 0.000 18.818) 25.507 10.685 ( 9.760 0.000 -0.153) 9.761 10.783 ( -12.429 0.000 3.592) 12.938 11.452 ( 2.375 0.000 -1.687) 2.913 11.614 ( 0.135 0.000 15.156) 15.156 11.790 ( -9.878 0.000 -5.368) 11.242 12.393 ( 4.497 0.000 -2.375) 5.086 12.424 ( 3.997 0.000 -3.488) 5.305 12.845 ( 0.280 0.000 5.601) 5.608 13.123 ( 5.593 0.000 0.957) 5.674 13.372 ( -7.538 0.000 5.468) 9.313 13.787 ( 2.210 0.000 -1.655) 2.761 14.274 ( -11.067 0.000 9.444) 14.548 14.972 ( -0.557 0.000 -5.710) 5.737 15.298 ( 1.435 0.000 9.948) 10.051 15.823 ( -7.146 0.000 -9.162) 11.619 15.951 ( -9.663 0.000 -15.400) 18.181 16.086 ( 14.804 0.000 -5.880) 15.929 16.837 ( 7.066 0.000 30.354) 31.165 17.485 ( -8.652 0.000 5.726) 10.375 17.903 ( 3.905 0.000 8.613) 9.457 17.968 ( 5.593 0.000 7.832) 9.624 18.246 ( 6.051 0.000 -2.112) 6.409 18.596 ( -4.409 0.000 -7.097) 8.355 19.403 ( -9.123 0.000 10.419) 13.849 20.679 ( 4.130 0.000 -26.371) 26.692 22.264 ( -6.218 0.000 35.535) 36.075 24.157 ( 3.759 0.000 -24.089) 24.380 24.583 ( -1.726 0.000 0.732) 1.875 25.277 ( 3.673 0.000 -16.682) 17.081 ======================= Grid point 131 (61/125) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -11.804 0.000 24.811) 27.476 1.281 ( -21.977 0.000 6.083) 22.803 2.069 ( -8.457 0.000 4.830) 9.739 2.417 ( -10.880 0.000 -1.849) 11.036 2.434 ( -15.406 0.000 38.662) 41.619 2.537 ( -3.989 0.000 18.418) 18.845 2.558 ( 8.730 0.000 -6.589) 10.937 2.622 ( -7.914 0.000 2.409) 8.273 2.924 ( 1.580 0.000 -0.483) 1.653 3.221 ( 8.460 0.000 2.420) 8.799 3.230 ( 10.739 0.000 -2.089) 10.940 3.811 ( -3.058 0.000 14.412) 14.732 3.867 ( 0.969 0.000 8.696) 8.750 3.976 ( -8.497 0.000 22.031) 23.613 4.006 ( -3.612 0.000 -1.289) 3.835 4.054 ( 3.542 0.000 6.213) 7.151 4.470 ( 4.971 0.000 -6.098) 7.867 4.612 ( -5.325 0.000 4.357) 6.881 4.944 ( 2.626 0.000 -13.216) 13.474 5.091 ( 0.846 0.000 -15.250) 15.273 5.150 ( 1.895 0.000 -5.812) 6.113 5.416 ( 3.762 0.000 -11.299) 11.909 5.519 ( 3.919 0.000 8.484) 9.345 5.637 ( -7.427 0.000 -13.729) 15.610 6.111 ( -9.900 0.000 7.854) 12.638 6.474 ( -8.656 0.000 0.334) 8.663 6.602 ( 4.482 0.000 27.910) 28.268 6.751 ( -3.719 0.000 4.187) 5.600 7.430 ( -1.540 0.000 0.512) 1.623 7.639 ( 4.120 0.000 -5.673) 7.011 7.770 ( 2.846 0.000 4.177) 5.054 7.850 ( 3.110 0.000 -10.910) 11.345 8.067 ( 2.930 0.000 2.563) 3.893 8.105 ( 11.015 0.000 -5.141) 12.156 8.486 ( -7.809 0.000 -3.750) 8.663 8.706 ( -2.240 0.000 12.234) 12.437 8.883 ( 6.612 0.000 -12.218) 13.893 8.908 ( 15.372 0.000 15.365) 21.735 9.244 ( 7.092 0.000 -6.196) 9.417 9.394 ( 0.521 0.000 -2.267) 2.326 9.447 ( -4.064 0.000 -3.211) 5.179 9.893 ( 8.823 0.000 -12.288) 15.128 10.549 ( -12.462 0.000 1.425) 12.543 10.797 ( 13.239 0.000 17.540) 21.976 10.833 ( 7.155 0.000 -3.039) 7.774 11.507 ( 0.181 0.000 -16.372) 16.373 11.578 ( -7.174 0.000 13.008) 14.855 11.616 ( -5.778 0.000 11.975) 13.296 12.460 ( 0.318 0.000 -6.540) 6.548 12.465 ( 3.532 0.000 -2.388) 4.263 12.892 ( 4.901 0.000 2.192) 5.369 13.145 ( -2.979 0.000 -6.154) 6.837 13.210 ( -10.846 0.000 4.767) 11.847 13.796 ( 2.227 0.000 3.546) 4.188 14.184 ( -5.528 0.000 5.796) 8.009 14.910 ( -5.504 0.000 -0.254) 5.510 15.358 ( 0.229 0.000 12.133) 12.135 15.632 ( -16.500 0.000 -15.579) 22.693 15.726 ( -0.092 0.000 -7.611) 7.611 16.241 ( 4.893 0.000 -8.593) 9.889 17.000 ( -0.993 0.000 22.646) 22.668 17.371 ( -3.885 0.000 2.000) 4.370 18.111 ( 5.942 0.000 4.619) 7.526 18.179 ( 19.954 0.000 8.488) 21.684 18.409 ( 10.746 0.000 5.816) 12.219 18.487 ( -2.136 0.000 -6.153) 6.513 19.223 ( -13.609 0.000 8.702) 16.153 20.640 ( 1.651 0.000 -24.836) 24.891 22.357 ( 2.019 0.000 41.464) 41.513 24.171 ( 6.770 0.000 -22.624) 23.616 24.524 ( -5.077 0.000 0.472) 5.099 25.274 ( 2.610 0.000 -16.974) 17.173 ======================= Grid point 132 (62/125) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -17.092 0.000 13.429) 21.737 1.188 ( -7.028 0.000 29.904) 30.718 1.855 ( -13.268 0.000 -1.114) 13.315 2.294 ( -2.814 0.000 0.196) 2.821 2.316 ( -14.892 0.000 51.434) 53.547 2.402 ( -9.999 0.000 16.703) 19.467 2.608 ( 1.004 0.000 -0.886) 1.339 2.717 ( 8.592 0.000 -1.221) 8.678 2.982 ( 4.578 0.000 -6.503) 7.953 3.321 ( 2.364 0.000 -2.439) 3.397 3.410 ( 2.874 0.000 -8.729) 9.190 3.814 ( 3.926 0.000 8.095) 8.997 3.879 ( -3.606 0.000 20.881) 21.190 3.957 ( -3.118 0.000 24.076) 24.278 3.975 ( 1.137 0.000 0.783) 1.381 4.124 ( 0.865 0.000 7.704) 7.752 4.463 ( -2.740 0.000 -7.422) 7.912 4.504 ( -7.052 0.000 1.713) 7.257 4.878 ( -4.055 0.000 -16.631) 17.118 5.076 ( 3.878 0.000 -19.360) 19.744 5.219 ( 6.123 0.000 5.985) 8.562 5.428 ( -6.484 0.000 -17.671) 18.823 5.463 ( 3.940 0.000 -10.248) 10.980 5.570 ( -1.759 0.000 6.835) 7.057 5.979 ( -6.560 0.000 8.333) 10.606 6.358 ( -3.420 0.000 1.065) 3.582 6.696 ( -2.646 0.000 3.708) 4.555 6.847 ( 12.140 0.000 11.843) 16.960 7.396 ( -1.832 0.000 1.560) 2.406 7.730 ( 6.980 0.000 -4.170) 8.131 7.873 ( 2.985 0.000 -11.059) 11.454 7.885 ( 5.590 0.000 4.266) 7.032 8.114 ( 0.851 0.000 1.459) 1.689 8.193 ( -1.291 0.000 -7.374) 7.486 8.402 ( 0.451 0.000 4.163) 4.188 8.728 ( 0.205 0.000 20.072) 20.073 8.935 ( 2.314 0.000 -6.860) 7.240 9.350 ( 2.333 0.000 -5.651) 6.113 9.367 ( 5.272 0.000 -5.506) 7.623 9.405 ( 19.788 0.000 14.808) 24.715 9.412 ( 5.214 0.000 -2.365) 5.726 9.994 ( 7.139 0.000 -15.929) 17.456 10.370 ( -5.232 0.000 1.855) 5.551 10.943 ( 6.142 0.000 -6.168) 8.704 11.033 ( 3.703 0.000 14.235) 14.709 11.278 ( -12.299 0.000 -3.170) 12.701 11.466 ( -13.500 0.000 7.351) 15.371 11.682 ( 6.510 0.000 4.791) 8.083 12.388 ( -3.600 0.000 -7.206) 8.056 12.494 ( 0.526 0.000 -2.350) 2.408 13.011 ( -7.617 0.000 2.568) 8.039 13.041 ( -2.669 0.000 -7.136) 7.619 13.060 ( 7.207 0.000 -0.681) 7.239 13.586 ( -33.029 0.000 -15.077) 36.308 14.261 ( 16.119 0.000 18.018) 24.176 14.790 ( -6.600 0.000 3.809) 7.620 15.294 ( -7.646 0.000 -2.108) 7.931 15.436 ( -1.642 0.000 10.629) 10.755 15.708 ( -0.733 0.000 -7.728) 7.763 16.243 ( 0.508 0.000 -10.497) 10.509 16.994 ( -6.432 0.000 17.554) 18.695 17.373 ( 3.221 0.000 1.589) 3.592 18.199 ( 2.457 0.000 -0.173) 2.463 18.325 ( 0.376 0.000 -9.864) 9.871 18.677 ( 12.991 0.000 13.920) 19.040 18.761 ( 22.783 0.000 1.787) 22.853 18.967 ( -15.911 0.000 6.140) 17.054 20.563 ( 0.555 0.000 -25.973) 25.979 22.658 ( 12.337 0.000 41.988) 43.763 24.236 ( 8.031 0.000 -19.942) 21.499 24.396 ( -8.443 0.000 3.298) 9.064 25.253 ( 1.972 0.000 -17.664) 17.774 ======================= Grid point 133 (63/125) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 10.687 7.153 18.189) 22.276 1.356 ( -2.052 10.958 24.579) 26.989 1.713 ( -5.020 5.326 -4.702) 8.699 2.167 ( -11.770 -1.915 16.030) 19.979 2.283 ( -0.710 1.403 1.614) 2.253 2.523 ( -1.260 0.762 19.845) 19.900 2.629 ( 0.330 12.929 26.193) 29.212 2.865 ( 1.139 2.385 2.416) 3.581 2.972 ( -0.544 -1.820 -11.417) 11.574 3.326 ( 0.888 -0.350 -1.836) 2.069 3.419 ( 2.979 5.901 -5.418) 8.547 3.700 ( -4.437 -10.430 16.769) 20.240 3.807 ( -1.647 -9.507 6.404) 11.580 3.960 ( -0.510 -5.969 10.748) 12.305 4.120 ( 0.935 -0.907 10.278) 10.361 4.180 ( 4.950 1.738 7.854) 9.445 4.267 ( -8.048 -7.776 3.809) 11.822 4.386 ( -1.899 2.040 -9.525) 9.925 4.733 ( -4.978 0.611 -4.044) 6.443 5.049 ( 0.069 -4.420 -11.205) 12.045 5.208 ( 1.601 -0.058 -11.906) 12.013 5.427 ( 5.430 1.549 -1.250) 5.784 5.492 ( -5.735 1.374 -5.927) 8.361 5.582 ( 5.250 3.006 -4.000) 7.253 6.024 ( 1.337 5.501 9.165) 10.772 6.331 ( 1.385 -1.614 -0.875) 2.300 6.662 ( 1.569 -2.456 6.857) 7.451 7.068 ( 8.250 -2.005 0.513) 8.505 7.401 ( -0.886 1.729 -0.087) 1.945 7.826 ( -2.791 1.517 -2.354) 3.954 7.959 ( 5.081 8.089 -1.744) 9.710 7.965 ( 0.176 0.296 -6.191) 6.200 8.142 ( -4.120 6.499 -3.879) 8.618 8.214 ( -0.414 7.526 -0.705) 7.570 8.488 ( -0.886 0.650 10.857) 10.913 8.801 ( 2.179 -4.995 2.375) 5.944 8.846 ( -1.253 0.012 9.886) 9.966 9.218 ( -1.575 -4.228 -0.344) 4.525 9.420 ( 2.751 1.290 -4.509) 5.437 9.611 ( 0.571 4.606 2.978) 5.515 9.781 ( 2.873 3.276 -1.779) 4.706 9.997 ( 0.092 -2.192 -14.231) 14.399 10.459 ( 2.594 6.058 4.679) 8.082 10.870 ( -11.011 1.843 -1.034) 11.212 11.003 ( -11.320 6.101 4.834) 13.738 11.112 ( 7.792 -2.723 2.162) 8.533 11.368 ( -5.881 1.296 4.539) 7.541 11.808 ( 3.787 -0.636 1.008) 3.970 12.161 ( -0.851 -12.128 7.790) 14.440 12.475 ( -1.452 -2.160 0.717) 2.699 12.516 ( -10.730 -3.900 -2.585) 11.705 12.877 ( 2.619 -9.253 -3.339) 10.180 13.348 ( -6.097 17.148 0.196) 18.200 13.532 ( -9.618 23.825 -5.435) 26.261 14.687 ( 18.070 -1.165 2.263) 18.249 14.726 ( 3.912 -1.661 3.756) 5.672 15.250 ( 0.792 -2.575 3.342) 4.293 15.388 ( 0.005 -2.781 6.093) 6.697 15.639 ( -8.357 1.574 -2.711) 8.926 16.179 ( 3.650 -4.140 -9.197) 10.726 16.912 ( -9.119 -0.058 14.004) 16.711 17.363 ( 3.991 -10.334 8.867) 14.189 18.180 ( -1.331 -2.747 -5.714) 6.478 18.255 ( 3.262 -6.734 -7.377) 10.508 18.576 ( -16.147 -6.816 11.154) 20.775 18.887 ( 3.571 -3.284 3.006) 5.708 19.026 ( 6.067 -0.209 6.947) 9.225 20.351 ( 8.853 -14.567 -26.768) 31.735 22.902 ( -4.849 1.930 28.947) 29.413 24.255 ( -1.418 -3.885 1.740) 4.486 24.402 ( 7.962 4.377 -14.108) 16.781 25.196 ( 2.681 -2.945 -18.729) 19.147 ======================= Grid point 134 (64/125) ======================= q-point: ( 0.14 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 5.921 5.763 16.666) 18.601 1.445 ( 15.251 7.563 13.410) 21.670 1.739 ( 7.011 5.571 2.263) 9.237 2.016 ( -10.588 4.797 19.515) 22.715 2.312 ( 2.965 -0.132 2.559) 3.919 2.551 ( 0.775 -3.980 -0.640) 4.105 2.774 ( -3.196 4.184 27.787) 28.281 2.853 ( 2.447 2.710 5.991) 7.016 2.917 ( 0.227 0.860 -7.190) 7.245 3.356 ( 1.021 -2.058 0.612) 2.378 3.474 ( 2.883 5.087 -3.400) 6.764 3.656 ( -5.827 -5.626 20.329) 21.883 3.790 ( -2.786 -8.469 5.056) 10.249 3.949 ( -2.609 -6.079 3.475) 7.472 4.041 ( -9.765 -0.815 7.765) 12.503 4.130 ( -5.705 -0.332 4.080) 7.022 4.315 ( -3.331 7.009 -1.693) 7.943 4.383 ( 8.856 -6.330 7.268) 13.089 4.751 ( 6.240 3.572 0.383) 7.200 5.017 ( 0.662 -5.619 -8.275) 10.024 5.198 ( 3.642 1.943 -17.217) 17.705 5.345 ( -6.101 2.939 -5.529) 8.742 5.487 ( 2.127 4.725 -3.779) 6.413 5.731 ( 9.626 -4.158 -3.443) 11.036 6.127 ( 4.335 5.924 11.990) 14.058 6.395 ( 6.010 -1.037 -1.712) 6.334 6.736 ( 3.168 -2.633 5.123) 6.573 7.169 ( 1.740 -4.891 -1.435) 5.385 7.390 ( 0.429 -1.396 -3.027) 3.361 7.685 ( -9.768 4.901 -0.988) 10.973 7.890 ( -3.385 1.444 -8.958) 9.684 8.019 ( -6.345 6.309 0.509) 8.962 8.054 ( 3.350 8.838 -3.367) 10.034 8.231 ( 1.140 9.111 3.418) 9.797 8.432 ( -7.334 1.814 3.736) 8.428 8.819 ( -0.734 -1.053 -1.408) 1.905 8.878 ( 1.381 -1.365 9.213) 9.415 9.253 ( 1.463 -9.542 3.581) 10.297 9.437 ( -3.160 -0.453 -6.781) 7.495 9.533 ( -5.856 2.098 14.439) 15.722 9.723 ( -4.640 7.923 -2.123) 9.424 9.996 ( 5.120 -4.851 -19.066) 20.328 10.247 ( -14.578 18.444 5.092) 24.055 10.599 ( -20.334 4.252 -6.041) 21.634 10.981 ( 5.805 -0.482 11.356) 12.762 11.286 ( 4.911 2.220 7.825) 9.501 11.359 ( 1.245 -0.501 4.663) 4.852 11.846 ( 2.746 -8.704 0.269) 9.131 12.254 ( -2.014 -5.953 8.252) 10.373 12.365 ( 4.721 -1.165 -4.302) 6.493 12.543 ( 4.702 -1.878 -1.123) 5.186 12.962 ( 7.258 -10.599 0.439) 12.853 13.130 ( -9.247 21.261 0.916) 23.203 13.492 ( -1.067 10.246 3.489) 10.876 14.904 ( 14.678 0.233 2.166) 14.839 14.925 ( 5.039 0.594 -1.530) 5.300 15.178 ( -7.702 -11.492 -2.474) 14.054 15.432 ( -10.707 0.162 2.324) 10.958 15.560 ( 13.552 0.350 2.093) 13.717 16.221 ( 3.409 -0.179 -9.426) 10.025 16.783 ( -9.752 -0.039 13.240) 16.444 17.470 ( 2.696 -11.202 11.836) 16.518 18.055 ( -7.678 -6.775 -9.154) 13.735 18.263 ( -5.189 -4.257 4.413) 8.033 18.392 ( -4.913 -1.912 -1.806) 5.572 18.735 ( -12.398 -0.597 5.618) 13.625 19.227 ( 7.900 -4.876 14.376) 17.113 20.475 ( 13.343 -9.496 -31.404) 35.418 22.778 ( -16.673 6.005 28.545) 33.599 24.275 ( 2.750 -4.289 -6.862) 8.547 24.477 ( 4.296 1.447 -7.849) 9.064 25.193 ( 4.365 -2.337 -18.806) 19.447 ======================= Grid point 135 (65/125) ======================= q-point: ( 0.29 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 2.913 12.046 11.930) 17.202 1.842 ( -4.835 6.468 18.392) 20.087 1.873 ( 18.767 0.709 12.134) 22.359 1.995 ( 6.859 7.374 6.758) 12.129 2.411 ( 6.571 -2.693 3.421) 7.883 2.564 ( 1.787 -2.887 -4.570) 5.693 2.651 ( -10.799 -4.854 6.149) 13.341 2.860 ( 0.768 -3.945 -16.151) 16.643 3.112 ( 9.437 1.639 26.618) 28.289 3.304 ( -7.621 -2.930 4.078) 9.127 3.435 ( -6.881 3.801 2.246) 8.176 3.657 ( -1.888 -0.860 5.810) 6.169 3.766 ( -1.651 -5.913 13.419) 14.757 3.858 ( -10.341 1.868 10.634) 14.950 3.928 ( -2.042 -6.479 6.922) 9.699 4.101 ( 0.270 1.232 4.719) 4.885 4.296 ( 1.525 10.361 2.901) 10.867 4.537 ( 5.882 -4.417 1.945) 7.608 4.861 ( 3.694 5.989 -0.075) 7.037 5.030 ( 3.387 -3.783 -4.269) 6.634 5.212 ( 3.462 0.790 -13.917) 14.363 5.250 ( -1.686 4.303 -5.454) 7.149 5.502 ( 1.536 5.131 -6.464) 8.394 5.852 ( 4.631 -5.278 -6.790) 9.768 6.243 ( 2.699 4.684 14.285) 15.274 6.534 ( 8.531 0.138 -2.122) 8.792 6.789 ( 0.081 -3.774 4.982) 6.251 7.075 ( -13.061 -2.693 7.548) 15.324 7.403 ( 2.343 -3.728 -3.485) 5.615 7.551 ( -1.404 5.592 -6.995) 9.064 7.783 ( -4.813 4.213 -7.315) 9.717 7.897 ( -4.658 1.552 -0.809) 4.976 8.093 ( 0.637 9.785 -1.348) 9.898 8.276 ( -0.514 7.410 7.933) 10.868 8.302 ( -2.929 6.187 -5.349) 8.687 8.794 ( 0.268 4.203 -7.578) 8.670 8.926 ( -0.708 -0.199 11.710) 11.733 9.104 ( -12.764 -1.825 3.772) 13.435 9.367 ( -1.175 -6.766 -2.269) 7.233 9.609 ( -7.525 6.384 -3.716) 10.545 9.664 ( 7.821 -1.868 9.320) 12.310 9.947 ( -2.456 0.299 -13.155) 13.386 10.091 ( -8.044 18.622 -5.531) 21.026 10.318 ( -0.502 3.379 1.152) 3.605 11.060 ( -2.273 -1.296 7.671) 8.105 11.372 ( 1.514 -0.092 12.888) 12.977 11.416 ( 2.006 0.281 7.363) 7.637 11.924 ( 5.057 -10.941 -2.343) 12.278 12.168 ( -4.949 -4.124 -2.714) 6.991 12.460 ( 1.764 1.512 -0.461) 2.369 12.639 ( 4.282 -3.573 3.877) 6.793 13.035 ( 0.020 13.133 0.513) 13.143 13.180 ( 12.505 -9.722 5.018) 16.616 13.513 ( 2.483 3.679 3.164) 5.451 14.801 ( -16.124 -4.742 5.191) 17.591 15.035 ( -4.676 -9.272 -5.999) 11.993 15.272 ( -1.704 0.825 5.349) 5.674 15.311 ( 21.767 1.581 -7.244) 22.995 15.847 ( 13.931 -1.153 2.324) 14.170 16.201 ( -2.487 2.163 -9.620) 10.169 16.659 ( -8.289 0.454 15.268) 17.379 17.532 ( -1.158 -10.078 15.141) 18.225 17.876 ( -9.284 -7.597 1.056) 12.042 18.156 ( -5.007 -1.969 -1.450) 5.573 18.244 ( -8.758 2.938 -3.118) 9.750 18.643 ( -0.754 -3.407 2.021) 4.032 19.375 ( 1.988 -6.491 14.248) 15.782 20.583 ( 10.060 -6.258 -30.868) 33.063 22.572 ( -15.370 9.632 29.127) 34.313 24.270 ( 1.351 -0.994 -16.979) 17.061 24.514 ( 1.664 -3.060 -1.345) 3.734 25.217 ( 5.164 -1.746 -18.141) 18.942 ======================= Grid point 136 (66/125) ======================= q-point: ( 0.43 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -0.152 12.273 12.810) 17.741 1.783 ( -6.742 8.471 19.901) 22.655 2.148 ( 4.314 4.544 5.258) 8.180 2.219 ( 11.899 0.618 12.723) 17.431 2.456 ( -9.628 -7.568 4.050) 12.899 2.576 ( 0.942 -2.544 -5.063) 5.744 2.590 ( 10.880 -2.952 -0.008) 11.274 2.835 ( 2.365 -2.415 -11.330) 11.823 3.113 ( -13.495 -0.151 3.840) 14.031 3.193 ( -8.506 -1.774 -0.651) 8.713 3.432 ( 1.303 -0.336 19.473) 19.520 3.538 ( -8.339 8.044 10.104) 15.373 3.786 ( -0.525 -5.419 12.346) 13.493 3.810 ( -1.830 -3.086 15.583) 15.991 3.963 ( 1.164 -3.035 10.068) 10.579 4.138 ( 1.112 1.632 5.146) 5.512 4.370 ( 4.225 8.847 1.940) 9.994 4.637 ( 4.797 0.056 -0.342) 4.810 4.883 ( 0.011 4.245 -3.143) 5.282 5.078 ( 1.996 -2.167 -5.197) 5.974 5.224 ( 3.532 3.898 -15.006) 15.901 5.244 ( 1.527 0.079 4.706) 4.948 5.496 ( 1.024 4.539 -8.643) 9.816 5.852 ( -0.816 -4.133 -11.711) 12.446 6.326 ( 0.002 3.889 14.575) 15.085 6.654 ( 4.290 1.131 -1.674) 4.742 6.742 ( -10.748 -1.699 10.305) 14.986 6.848 ( -9.496 0.006 12.255) 15.503 7.454 ( 3.306 0.269 -0.941) 3.448 7.533 ( 1.036 -1.346 -9.273) 9.427 7.688 ( -1.305 1.654 -7.274) 7.573 7.861 ( 1.770 1.146 -3.312) 3.927 8.060 ( -3.046 8.792 -1.236) 9.386 8.203 ( -2.826 10.536 -1.297) 10.985 8.386 ( 6.427 5.312 2.270) 8.642 8.772 ( 0.697 4.446 -12.762) 13.532 8.908 ( -5.680 6.370 10.761) 13.735 8.973 ( -1.975 -0.535 3.910) 4.413 9.336 ( -3.193 -8.316 -0.907) 8.954 9.390 ( -9.130 9.276 -9.539) 16.137 9.651 ( -5.560 -3.749 -3.060) 7.372 9.925 ( -2.444 14.429 -12.795) 19.439 10.108 ( 14.643 3.980 9.345) 17.821 10.470 ( 10.208 0.944 5.766) 11.762 10.977 ( -7.831 0.401 4.207) 8.898 11.388 ( -1.701 -3.310 3.850) 5.354 11.521 ( 2.903 -0.715 16.505) 16.773 11.963 ( -1.984 -1.218 -6.757) 7.147 12.107 ( 2.359 -13.031 -1.194) 13.296 12.448 ( -1.392 0.719 -2.210) 2.709 12.724 ( 2.478 -4.633 8.560) 10.044 13.092 ( 5.072 7.410 0.006) 8.980 13.374 ( 2.851 -3.982 7.292) 8.784 13.622 ( 8.700 -3.011 -1.959) 9.413 14.468 ( -19.381 -8.132 7.547) 22.332 14.929 ( -2.441 -7.793 -7.461) 11.062 15.283 ( 1.813 2.617 5.565) 6.411 15.741 ( 21.602 0.597 -4.597) 22.094 15.998 ( -2.344 -0.488 -9.437) 9.736 16.085 ( -2.387 0.736 -6.283) 6.761 16.636 ( -0.210 0.354 25.274) 25.277 17.569 ( 0.082 -5.898 14.739) 15.876 17.703 ( -11.592 -7.429 11.855) 18.169 18.074 ( -1.401 4.269 -5.794) 7.332 18.155 ( 0.996 -1.743 -4.519) 4.945 18.627 ( -1.629 -4.496 -3.860) 6.145 19.402 ( -4.449 -7.285 13.237) 15.750 20.628 ( 6.531 -5.489 -28.794) 30.032 22.436 ( -10.304 11.438 29.487) 33.264 24.221 ( 1.725 1.734 -22.454) 22.587 24.529 ( -0.156 -5.527 1.554) 5.743 25.246 ( 4.660 -1.632 -17.547) 18.229 ======================= Grid point 137 (67/125) ======================= q-point: (-0.43 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -8.816 8.713 15.439) 19.799 1.701 ( -11.285 11.848 11.413) 19.950 2.135 ( -5.294 -3.518 12.674) 14.178 2.400 ( 3.987 -1.683 3.596) 5.627 2.439 ( 3.150 -0.594 10.808) 11.273 2.546 ( -3.060 -2.341 -0.246) 3.860 2.707 ( -2.724 3.856 -9.800) 10.878 2.843 ( -1.545 3.773 -0.687) 4.134 2.955 ( -0.612 -4.057 12.719) 13.364 3.033 ( -4.782 1.639 -0.259) 5.061 3.255 ( -10.716 6.706 5.822) 13.918 3.684 ( 6.533 -1.939 14.611) 16.122 3.789 ( -3.983 -2.401 20.859) 21.371 3.892 ( 4.137 -6.839 5.267) 9.572 3.973 ( -4.830 -2.745 8.758) 10.371 4.168 ( -0.300 3.796 5.641) 6.806 4.442 ( 3.083 3.223 -0.449) 4.482 4.681 ( -2.168 5.216 2.905) 6.352 4.881 ( 3.250 -1.913 -8.074) 8.912 5.065 ( -0.658 -4.499 -4.133) 6.144 5.226 ( 2.104 6.826 -13.873) 15.604 5.318 ( 2.431 -3.780 7.448) 8.699 5.498 ( 3.411 5.191 -9.646) 11.473 5.756 ( -3.875 -3.635 -13.135) 14.169 6.310 ( -6.752 3.748 8.139) 11.220 6.590 ( -7.915 5.007 22.005) 23.916 6.652 ( -5.199 0.976 1.327) 5.453 6.793 ( -1.708 0.613 6.929) 7.162 7.450 ( -2.025 -0.515 -3.085) 3.726 7.566 ( 4.431 -0.612 -1.062) 4.597 7.700 ( 4.960 -3.382 -4.806) 7.690 7.927 ( 4.915 5.911 -9.901) 12.535 8.004 ( -0.204 5.812 -1.375) 5.976 8.156 ( -1.474 11.906 -0.225) 11.999 8.522 ( 6.935 -0.610 -1.378) 7.096 8.713 ( -2.736 4.994 -6.819) 8.884 8.905 ( -7.866 3.217 12.972) 15.508 8.943 ( 5.586 12.860 1.769) 14.132 9.187 ( -1.150 -1.130 -7.987) 8.148 9.390 ( 3.778 2.088 -3.449) 5.525 9.550 ( -4.115 0.411 -2.612) 4.891 9.879 ( 2.718 8.949 -12.014) 15.225 10.434 ( 14.646 -1.202 8.562) 17.007 10.628 ( 1.323 -3.276 3.419) 4.917 10.855 ( -3.307 4.874 4.297) 7.291 11.391 ( 1.459 -4.867 4.640) 6.881 11.593 ( -2.371 -1.200 11.387) 11.693 11.834 ( -7.236 3.155 -2.724) 8.351 12.227 ( 9.095 -12.888 -1.902) 15.888 12.419 ( -0.033 -2.729 -4.957) 5.659 12.788 ( 1.037 -4.370 8.239) 9.384 13.175 ( 1.512 3.718 -1.221) 4.196 13.351 ( -5.480 -1.596 4.029) 6.986 13.726 ( 0.792 -5.989 1.948) 6.347 14.240 ( -5.360 -3.326 6.896) 9.346 14.913 ( 2.621 -6.016 -5.073) 8.295 15.325 ( -1.593 2.468 7.634) 8.179 15.792 ( -7.425 -2.486 -8.096) 11.263 15.946 ( -8.231 -0.506 -11.992) 14.554 16.088 ( 11.251 0.208 -6.045) 12.774 16.820 ( 6.276 -1.860 29.363) 30.084 17.484 ( -11.671 -0.433 8.059) 14.189 17.734 ( 8.458 -8.887 18.043) 21.819 18.094 ( 5.049 5.224 -3.093) 7.896 18.214 ( 6.600 -2.272 -4.235) 8.164 18.549 ( -3.872 -4.587 -7.845) 9.878 19.311 ( -10.012 -8.001 12.098) 17.625 20.617 ( 3.012 -6.462 -26.766) 27.699 22.406 ( -4.497 12.898 31.320) 34.169 24.189 ( 4.310 3.145 -24.024) 24.609 24.515 ( -2.272 -6.404 2.327) 7.183 25.259 ( 3.523 -1.960 -17.449) 17.909 ======================= Grid point 138 (68/125) ======================= q-point: (-0.29 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -16.308 7.964 9.984) 20.714 1.441 ( -15.973 9.871 15.375) 24.269 2.100 ( -6.062 2.861 9.767) 11.846 2.391 ( -8.986 -8.741 4.351) 13.270 2.421 ( -5.633 1.613 10.264) 11.819 2.541 ( -2.106 0.589 11.646) 11.850 2.605 ( 1.873 6.336 -4.866) 8.206 2.755 ( -10.658 14.498 18.760) 25.995 2.936 ( 0.500 1.755 3.338) 3.804 3.150 ( 9.313 -3.945 2.758) 10.483 3.255 ( 8.767 -0.059 -6.024) 10.637 3.782 ( -2.793 -2.854 17.835) 18.276 3.828 ( 1.365 -3.638 13.416) 13.967 3.849 ( -8.832 -4.258 2.345) 10.081 3.972 ( 2.058 -7.612 5.248) 9.472 4.160 ( -3.002 6.473 8.018) 10.733 4.476 ( 0.099 -2.955 -1.379) 3.262 4.589 ( -6.655 1.493 0.413) 6.833 4.927 ( 3.761 -0.672 -11.559) 12.174 5.047 ( 0.295 -4.100 0.235) 4.118 5.186 ( -1.764 1.628 -8.463) 8.797 5.389 ( 3.864 -0.443 0.729) 3.957 5.527 ( 1.416 2.418 -10.284) 10.659 5.644 ( -2.573 -0.271 -8.244) 8.640 6.177 ( -8.927 5.062 5.503) 11.645 6.482 ( -8.768 0.116 0.619) 8.791 6.634 ( -0.390 2.390 20.079) 20.225 6.786 ( -1.408 3.410 7.425) 8.291 7.425 ( 0.131 0.383 -0.388) 0.561 7.661 ( 5.690 1.986 1.607) 6.237 7.813 ( 6.127 -0.010 0.196) 6.130 7.884 ( 0.057 4.896 -9.656) 10.827 8.120 ( 8.875 1.743 -3.992) 9.887 8.163 ( 2.386 9.697 -2.345) 10.258 8.565 ( -5.271 -0.154 0.522) 5.299 8.665 ( 4.118 2.730 -7.861) 9.285 8.807 ( -5.230 3.185 15.970) 17.104 9.169 ( 13.048 11.264 12.058) 21.037 9.227 ( 7.840 1.007 -8.897) 11.901 9.442 ( -0.561 2.452 -0.991) 2.703 9.484 ( 1.579 6.294 -5.373) 8.425 9.927 ( 6.592 3.684 -13.387) 15.370 10.478 ( -8.947 -5.447 -2.320) 10.728 10.740 ( 10.430 -3.278 6.472) 12.704 10.924 ( 5.487 4.972 7.100) 10.259 11.445 ( -12.846 -5.852 6.299) 15.457 11.499 ( 6.566 -1.680 -2.101) 7.096 11.731 ( -6.402 6.026 8.200) 12.023 12.355 ( 1.135 -8.220 -3.476) 8.996 12.419 ( 3.597 -4.681 -4.195) 7.242 12.850 ( 4.010 -3.814 3.456) 6.525 13.064 ( -11.317 -4.065 2.885) 12.366 13.239 ( -6.439 -1.162 -5.111) 8.303 13.817 ( 10.431 1.670 8.357) 13.470 14.234 ( -1.720 3.716 1.902) 4.515 14.925 ( -2.891 1.217 -0.602) 3.194 15.265 ( -4.355 -8.256 5.079) 10.627 15.643 ( -13.761 1.289 -10.641) 17.443 15.739 ( -0.234 0.832 -3.895) 3.990 16.200 ( 2.678 -3.612 -6.484) 7.890 16.993 ( 1.248 -1.734 21.393) 21.499 17.320 ( -7.815 -3.464 7.346) 11.271 18.022 ( 11.716 -6.846 13.736) 19.308 18.216 ( 7.518 -0.200 -2.544) 7.939 18.376 ( 13.495 -0.123 -2.473) 13.720 18.482 ( 2.519 -1.451 -4.202) 5.109 19.122 ( -14.545 -8.490 11.539) 20.416 20.540 ( -1.310 -9.559 -24.950) 26.750 22.504 ( 2.304 13.032 34.699) 37.137 24.214 ( 7.451 3.968 -22.973) 24.475 24.455 ( -5.220 -6.390 2.599) 8.651 25.250 ( 2.387 -2.513 -17.738) 18.073 ======================= Grid point 139 (69/125) ======================= q-point: (-0.14 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -15.562 10.055 10.996) 21.545 1.329 ( -6.062 10.772 25.087) 27.966 1.914 ( -12.738 5.018 -2.353) 13.892 2.292 ( -5.480 -6.185 8.636) 11.953 2.334 ( -6.231 0.316 7.385) 9.667 2.511 ( -8.632 7.803 30.329) 32.484 2.580 ( -2.580 8.844 13.883) 16.662 2.785 ( 5.871 6.037 1.236) 8.511 2.978 ( 2.484 -0.394 -3.168) 4.045 3.297 ( 4.902 -1.426 -3.107) 5.976 3.395 ( 5.402 -1.565 -6.816) 8.837 3.721 ( -5.057 -8.603 11.142) 14.958 3.783 ( -0.363 -4.844 7.479) 8.918 3.903 ( -0.103 -3.015 18.358) 18.604 4.020 ( 1.968 -6.605 6.213) 9.279 4.141 ( -1.512 5.674 8.500) 10.331 4.405 ( -7.138 -7.256 2.321) 10.439 4.478 ( -4.078 0.531 -6.886) 8.021 4.877 ( -4.410 -0.216 -11.802) 12.601 5.087 ( 1.855 0.927 -12.106) 12.282 5.155 ( 2.725 -6.018 6.547) 9.301 5.407 ( -1.233 0.034 -10.068) 10.144 5.508 ( 3.782 5.033 -9.580) 11.463 5.602 ( -2.500 1.759 0.863) 3.177 6.045 ( -6.106 4.997 4.787) 9.229 6.355 ( -3.969 -0.809 -0.441) 4.075 6.646 ( -2.812 -1.934 9.043) 9.666 6.888 ( 7.818 2.284 9.668) 12.641 7.421 ( -1.095 2.985 0.802) 3.279 7.785 ( 6.379 1.474 0.071) 6.547 7.868 ( 3.871 6.424 -3.409) 8.238 7.946 ( 4.355 -0.697 -2.921) 5.290 8.182 ( 0.815 7.146 -3.696) 8.087 8.230 ( 2.722 2.734 -5.729) 6.907 8.472 ( -3.787 4.685 8.366) 10.309 8.736 ( 4.348 -4.673 -1.128) 6.482 8.816 ( -0.724 1.673 14.143) 14.260 9.282 ( -0.648 -1.599 -2.587) 3.110 9.388 ( 0.733 -0.503 -4.691) 4.775 9.514 ( 10.348 6.203 7.959) 14.454 9.590 ( 12.521 11.830 -0.797) 17.244 10.006 ( 6.498 3.075 -15.457) 17.047 10.344 ( -1.428 -1.707 -0.501) 2.281 10.915 ( 7.784 -3.142 -0.270) 8.399 11.055 ( 2.578 1.526 10.552) 10.969 11.172 ( -13.739 -4.715 -2.429) 14.727 11.578 ( -13.303 6.416 6.154) 16.000 11.666 ( 8.517 -0.705 4.679) 9.743 12.262 ( -7.396 -8.565 -1.894) 11.474 12.465 ( 1.566 -2.985 -2.904) 4.449 12.809 ( -14.958 -7.246 2.787) 16.853 12.893 ( -3.064 -8.494 -3.454) 9.668 13.237 ( 9.419 6.237 -1.952) 11.464 13.931 ( -14.223 22.222 -17.440) 31.627 14.261 ( 15.769 -0.135 17.032) 23.212 14.792 ( -8.897 0.314 3.841) 9.696 15.244 ( -1.197 -6.199 0.956) 6.386 15.408 ( -5.028 -0.278 0.094) 5.037 15.741 ( -1.615 2.005 -0.299) 2.591 16.180 ( -0.225 -5.515 -8.306) 9.973 17.009 ( -6.296 0.609 15.609) 16.842 17.281 ( 0.708 -7.920 7.514) 10.940 18.159 ( 2.672 -6.516 0.327) 7.050 18.257 ( 1.175 -3.426 -8.070) 8.845 18.657 ( 12.377 -2.990 6.528) 14.308 18.768 ( 22.758 0.678 -0.606) 22.776 18.862 ( -17.190 -7.506 12.215) 22.384 20.400 ( -2.888 -14.117 -23.325) 27.417 22.734 ( 7.122 7.729 34.866) 36.415 24.295 ( 9.312 4.753 -21.386) 23.805 24.342 ( -7.455 -5.058 5.036) 10.321 25.223 ( 1.872 -2.972 -18.209) 18.545 ======================= Grid point 140 (70/125) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 3.619 13.420 10.523) 17.433 1.585 ( 0.240 11.377 15.623) 19.328 1.815 ( -3.131 4.378 -4.466) 6.995 2.124 ( -4.191 -0.463 13.925) 14.549 2.324 ( -2.890 1.584 2.261) 3.997 2.484 ( -0.011 -1.927 3.276) 3.801 2.844 ( -1.251 -4.620 -1.937) 5.163 2.935 ( -4.171 1.591 2.663) 5.198 3.068 ( -3.815 16.623 21.102) 27.132 3.297 ( -0.367 -2.752 1.287) 3.060 3.492 ( 0.078 -7.831 8.283) 11.399 3.541 ( 1.573 -9.159 -0.984) 9.345 3.586 ( 3.559 4.716 1.518) 6.100 3.875 ( -3.537 -2.916 9.172) 10.254 4.047 ( 5.141 -3.566 6.821) 9.257 4.110 ( -2.216 -1.776 13.773) 14.063 4.229 ( -4.709 -2.690 2.533) 5.986 4.435 ( 1.375 2.967 -3.302) 4.647 4.718 ( -4.333 -1.811 0.807) 4.765 4.957 ( -3.188 -3.094 -2.945) 5.329 5.237 ( 1.428 3.365 -4.594) 5.871 5.436 ( 5.208 -0.765 -4.188) 6.726 5.574 ( -2.153 6.029 -10.190) 12.034 5.677 ( 1.342 5.553 -2.730) 6.332 6.109 ( 2.494 1.941 7.528) 8.165 6.293 ( 1.958 -1.930 -1.215) 3.006 6.644 ( -0.775 0.967 8.182) 8.276 7.015 ( 3.608 -3.108 6.072) 7.717 7.462 ( -3.622 4.214 -1.799) 5.840 7.882 ( 0.289 2.085 -2.967) 3.638 7.957 ( -0.759 1.609 0.441) 1.833 8.095 ( 4.026 2.173 -1.174) 4.723 8.246 ( -3.945 2.993 -2.686) 5.634 8.321 ( 4.798 2.039 -1.137) 5.336 8.457 ( -1.919 -0.087 10.907) 11.075 8.797 ( 0.254 2.976 0.732) 3.075 8.921 ( -2.283 7.195 3.803) 8.453 9.202 ( -5.390 1.826 2.522) 6.224 9.417 ( 3.789 -1.328 -5.670) 6.948 9.695 ( -5.221 3.367 1.635) 6.425 9.757 ( 9.013 -4.947 0.656) 10.303 10.040 ( -7.146 6.099 -1.114) 9.460 10.618 ( 7.717 9.657 2.453) 12.603 10.960 ( -4.749 6.038 -4.316) 8.812 11.075 ( 12.089 0.558 3.026) 12.474 11.133 ( -5.053 5.759 7.473) 10.703 11.416 ( -13.804 4.382 -0.528) 14.493 11.808 ( -2.175 0.910 -1.866) 3.006 12.012 ( 2.353 -3.124 9.384) 10.166 12.424 ( 3.245 -3.925 -1.916) 5.442 12.480 ( -8.910 -0.321 -2.053) 9.149 12.731 ( 0.677 -5.247 -1.195) 5.424 13.608 ( 6.475 10.055 3.843) 12.561 13.911 ( -20.519 12.143 -4.075) 24.188 14.658 ( 9.949 -1.551 1.952) 10.256 14.693 ( 10.693 -1.257 0.751) 10.793 15.185 ( -4.722 -3.478 3.242) 6.701 15.355 ( 5.417 -0.575 -0.732) 5.497 15.630 ( -11.912 -2.464 3.493) 12.656 16.065 ( 6.340 -7.376 -6.648) 11.781 16.876 ( -8.085 -4.431 13.478) 16.330 17.135 ( -0.539 -10.214 15.884) 18.893 18.040 ( 4.476 -10.196 -2.072) 11.327 18.121 ( -5.881 -6.664 -9.310) 12.872 18.468 ( -9.131 -1.831 9.111) 13.028 18.861 ( 6.927 0.021 3.955) 7.977 18.996 ( 0.960 -2.086 -0.260) 2.311 20.029 ( 10.613 -16.222 -20.992) 28.573 23.024 ( -4.168 9.455 21.962) 24.272 24.145 ( -2.402 -7.121 6.455) 9.907 24.481 ( 7.240 3.736 -20.128) 21.714 25.110 ( 3.231 -5.528 -19.499) 20.523 ======================= Grid point 141 (71/125) ======================= q-point: ( 0.14 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 11.506 4.099 11.530) 16.797 1.668 ( 6.532 11.495 6.758) 14.848 1.863 ( 6.719 6.088 3.200) 9.615 2.108 ( -3.711 5.516 18.408) 19.572 2.315 ( 1.219 -1.015 1.452) 2.151 2.499 ( 0.609 -1.694 0.613) 1.901 2.755 ( -9.047 -3.573 5.044) 10.957 2.815 ( -4.213 -3.440 -9.119) 10.617 3.107 ( -1.512 9.499 17.274) 19.771 3.292 ( -1.721 -4.366 3.910) 6.108 3.477 ( -0.050 -3.698 4.388) 5.738 3.558 ( 1.094 -9.915 -0.055) 9.976 3.742 ( 4.248 9.146 8.615) 13.263 3.823 ( -4.959 -5.306 12.041) 14.062 4.027 ( -3.737 1.003 7.090) 8.077 4.136 ( -3.635 1.682 2.377) 4.658 4.244 ( 3.077 -5.941 5.206) 8.478 4.473 ( 4.929 5.999 1.723) 7.953 4.779 ( 8.111 0.024 4.422) 9.238 4.914 ( 0.293 -3.693 -2.332) 4.377 5.218 ( -0.352 1.389 -5.116) 5.313 5.484 ( -1.313 9.245 -14.598) 17.329 5.546 ( 5.284 -1.162 -1.416) 5.592 5.699 ( 3.159 2.753 -6.552) 7.777 6.214 ( 3.858 1.862 10.509) 11.349 6.384 ( 7.650 -0.019 -0.677) 7.680 6.686 ( 1.976 -1.717 5.077) 5.712 7.065 ( -1.215 -4.902 6.336) 8.102 7.385 ( -3.469 1.138 -1.741) 4.045 7.796 ( -7.424 4.380 -1.486) 8.746 7.897 ( -3.567 1.948 -4.863) 6.338 8.149 ( -2.671 3.156 1.557) 4.418 8.168 ( 1.185 0.558 -6.619) 6.748 8.410 ( -1.761 -2.436 9.311) 9.784 8.455 ( 3.101 9.956 0.729) 10.454 8.737 ( -3.203 -2.944 -1.258) 4.529 8.935 ( -0.674 7.045 8.848) 11.330 9.205 ( 3.579 3.085 2.507) 5.349 9.414 ( -2.331 -1.573 -6.806) 7.364 9.609 ( -4.088 4.101 6.171) 8.462 9.831 ( -3.876 -4.242 -3.886) 6.937 9.945 ( 1.252 7.218 -2.088) 7.618 10.617 ( -5.695 17.409 1.761) 18.401 10.736 ( -18.607 9.151 -5.959) 21.575 11.026 ( 0.864 5.279 4.802) 7.189 11.312 ( -1.544 -1.036 8.082) 8.293 11.343 ( 7.813 0.958 6.919) 10.480 11.702 ( -3.301 -4.749 -2.232) 6.199 12.212 ( 5.743 0.169 5.691) 8.086 12.362 ( 1.215 0.948 -4.569) 4.821 12.500 ( 5.339 -2.370 -0.332) 5.850 12.782 ( 5.382 -7.215 2.410) 9.318 13.503 ( -15.592 14.796 -3.137) 21.722 13.632 ( -7.687 4.530 8.124) 12.067 14.848 ( 2.157 -9.452 2.484) 10.008 14.914 ( 7.485 -2.863 -5.354) 9.638 15.036 ( 1.064 1.987 0.498) 2.308 15.388 ( -11.858 -4.063 -0.820) 12.561 15.561 ( 12.553 0.056 5.185) 13.582 16.181 ( 6.469 -4.304 -5.867) 9.736 16.769 ( -8.485 -1.507 14.135) 16.554 17.207 ( 1.097 -13.035 17.456) 21.814 17.893 ( -9.610 -8.140 -4.890) 13.510 18.172 ( 3.906 -7.029 -1.322) 8.149 18.335 ( -6.180 -0.902 -0.161) 6.248 18.750 ( -12.097 2.330 -2.750) 12.623 19.114 ( 6.187 -5.624 12.067) 14.681 20.228 ( 16.124 -14.489 -25.549) 33.506 22.952 ( -11.002 10.852 21.518) 26.492 24.161 ( 1.692 -7.215 3.095) 8.030 24.508 ( 2.941 2.041 -17.543) 17.904 25.118 ( 5.167 -5.122 -19.419) 20.737 ======================= Grid point 142 (72/125) ======================= q-point: ( 0.29 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 6.925 4.577 9.444) 12.574 1.879 ( 7.128 2.530 9.580) 12.206 2.026 ( 7.896 6.871 10.605) 14.900 2.147 ( 3.225 9.744 12.630) 16.275 2.357 ( 0.966 -3.083 3.450) 4.727 2.496 ( -1.379 -3.833 -0.457) 4.099 2.598 ( -6.508 0.648 2.173) 6.892 2.745 ( 1.099 -4.945 -13.083) 14.029 3.122 ( -1.007 -1.069 6.847) 7.003 3.250 ( -5.672 -3.467 9.589) 11.668 3.511 ( 0.632 -0.368 5.437) 5.486 3.576 ( -0.265 -6.199 3.161) 6.963 3.750 ( -1.539 -1.481 5.656) 6.046 3.798 ( -6.151 3.064 19.733) 20.895 4.001 ( -2.200 9.690 2.051) 10.146 4.119 ( 0.027 2.438 11.098) 11.363 4.299 ( 2.548 -6.701 3.326) 7.903 4.616 ( 8.064 8.184 0.367) 11.495 4.932 ( 4.266 1.134 4.334) 6.187 4.977 ( 6.704 -1.453 0.014) 6.859 5.189 ( -2.301 -0.541 0.537) 2.424 5.424 ( 1.334 10.513 -16.762) 19.831 5.604 ( 2.269 2.812 -5.693) 6.742 5.748 ( 4.446 -3.364 -9.217) 10.772 6.313 ( 2.500 1.876 11.114) 11.545 6.540 ( 7.849 0.227 0.727) 7.886 6.722 ( -0.148 -2.174 2.580) 3.377 7.001 ( -8.923 -3.915 10.845) 14.580 7.352 ( 1.223 -1.491 0.179) 1.937 7.640 ( -7.639 2.507 -3.320) 8.698 7.822 ( -2.073 3.118 -6.840) 7.797 8.022 ( -6.732 6.555 -2.045) 9.616 8.213 ( 2.715 -1.211 -4.476) 5.374 8.375 ( -2.532 2.645 1.397) 3.919 8.508 ( 2.270 12.706 -2.329) 13.115 8.749 ( 3.457 -6.234 5.981) 9.305 8.967 ( 0.666 3.999 10.841) 11.574 9.171 ( -9.985 8.757 -0.202) 13.282 9.345 ( -0.867 3.950 -4.822) 6.293 9.594 ( -0.593 -4.197 0.587) 4.279 9.787 ( -0.445 7.354 6.258) 9.667 9.942 ( 1.880 1.119 -11.442) 11.649 10.405 ( -11.553 9.707 -7.774) 16.974 10.535 ( -2.900 20.263 4.592) 20.978 11.058 ( -1.080 1.410 0.871) 1.979 11.361 ( 1.936 -1.891 17.093) 17.306 11.402 ( -2.605 -0.451 5.652) 6.240 11.689 ( 2.103 -9.760 -2.876) 10.390 12.162 ( -5.890 1.439 0.118) 6.065 12.439 ( 1.188 -2.996 -2.952) 4.371 12.608 ( 4.524 0.103 3.933) 5.996 13.011 ( 16.333 -6.339 6.357) 18.637 13.257 ( -7.115 8.218 -5.047) 11.985 13.547 ( -4.662 0.694 8.013) 9.296 14.602 ( -19.709 -13.775 3.256) 24.266 14.865 ( -6.986 -9.682 -5.625) 13.198 15.263 ( 1.918 -0.295 -0.810) 2.103 15.396 ( 22.104 7.141 -1.011) 23.251 15.821 ( 12.393 -1.989 3.548) 13.044 16.208 ( -2.098 -1.803 -6.482) 7.047 16.670 ( -7.475 0.639 16.685) 18.294 17.282 ( -0.523 -12.867 20.136) 23.902 17.748 ( -5.032 -5.112 1.756) 7.385 18.124 ( -5.903 -0.056 -2.530) 6.422 18.270 ( -1.203 -2.243 -9.136) 9.484 18.563 ( -5.834 -2.906 -0.412) 6.531 19.232 ( 1.166 -6.590 12.146) 13.868 20.387 ( 11.005 -13.130 -27.527) 32.423 22.814 ( -11.156 13.798 22.017) 28.277 24.207 ( 2.657 -6.201 -2.521) 7.202 24.474 ( -0.058 0.299 -14.012) 14.015 25.152 ( 5.648 -4.857 -19.020) 20.427 ======================= Grid point 143 (73/125) ======================= q-point: ( 0.43 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 0.589 8.951 8.877) 12.620 1.922 ( -2.697 -0.996 20.733) 20.932 2.176 ( -9.543 2.688 4.257) 10.790 2.236 ( 8.309 0.251 6.600) 10.614 2.368 ( 1.527 1.253 6.895) 7.173 2.541 ( 6.535 1.285 -3.567) 7.555 2.566 ( 3.813 -1.233 0.191) 4.012 2.761 ( 4.782 -2.476 -10.299) 11.622 3.090 ( -5.963 -1.655 -0.076) 6.189 3.166 ( -5.066 -1.513 8.220) 9.774 3.511 ( -3.228 5.118 8.594) 10.510 3.601 ( 1.845 -7.917 5.658) 9.904 3.741 ( -3.401 1.216 15.242) 15.664 3.756 ( -5.316 1.997 14.467) 15.541 3.996 ( 1.143 7.427 2.996) 8.090 4.160 ( -1.501 2.925 15.515) 15.859 4.363 ( 2.976 -5.759 0.931) 6.549 4.769 ( 8.490 8.521 -2.168) 12.223 4.967 ( -1.766 2.045 2.878) 3.947 5.042 ( -3.939 0.181 1.182) 4.117 5.177 ( 2.742 -2.304 4.623) 5.848 5.405 ( 2.248 9.555 -14.418) 17.442 5.608 ( 1.828 5.458 -9.927) 11.476 5.755 ( -0.183 -4.871 -12.447) 13.368 6.386 ( 0.624 1.502 9.766) 9.900 6.640 ( 0.726 -3.027 5.295) 6.142 6.726 ( 0.383 1.346 2.659) 3.005 6.846 ( -10.279 -0.300 14.924) 18.124 7.426 ( 4.752 -2.655 0.442) 5.461 7.503 ( -4.155 -0.987 -4.321) 6.076 7.738 ( -4.474 3.680 -5.910) 8.276 7.961 ( 1.989 6.206 -3.473) 7.384 8.224 ( 0.022 3.177 -4.851) 5.799 8.345 ( 0.195 4.203 -4.561) 6.205 8.569 ( 4.753 13.355 -0.131) 14.176 8.830 ( 0.148 -2.431 -2.474) 3.472 8.973 ( -4.414 3.675 3.448) 6.699 9.028 ( -1.509 5.169 14.573) 15.536 9.340 ( 2.744 8.723 -1.896) 9.339 9.570 ( -3.860 -2.107 -6.186) 7.590 9.625 ( -9.244 11.169 -3.781) 14.983 10.128 ( 14.886 -0.786 0.335) 14.911 10.232 ( -5.051 12.858 -12.260) 18.470 10.556 ( 1.451 8.260 8.834) 12.181 10.990 ( -4.917 1.105 0.575) 5.073 11.344 ( -3.931 -0.098 4.733) 6.153 11.478 ( 2.070 -4.084 20.398) 20.905 11.759 ( 7.173 -11.425 -4.819) 14.324 12.045 ( -6.336 1.353 -0.736) 6.521 12.391 ( -3.562 -5.951 -3.987) 8.000 12.674 ( 0.499 -0.017 8.476) 8.491 13.210 ( 4.624 4.054 -4.215) 7.455 13.318 ( 7.184 -0.609 7.610) 10.483 13.520 ( 0.910 -6.755 1.802) 7.051 14.247 ( -17.024 -13.054 4.761) 21.974 14.727 ( -3.413 -12.990 -6.680) 15.001 15.337 ( 4.292 3.060 4.575) 6.980 15.774 ( 15.862 3.363 -4.640) 16.866 16.002 ( 5.460 -0.811 -5.316) 7.664 16.062 ( -9.117 -1.891 -3.865) 10.081 16.647 ( -1.937 0.827 23.707) 23.800 17.356 ( 0.664 -11.516 23.153) 25.867 17.674 ( -6.424 1.190 9.002) 11.123 18.041 ( 0.949 -3.142 -9.521) 10.071 18.211 ( 0.126 3.660 -8.824) 9.554 18.493 ( -2.312 -8.357 -4.953) 9.986 19.240 ( -5.008 -7.379 12.343) 15.228 20.444 ( 5.938 -12.957 -27.328) 30.822 22.721 ( -7.128 15.998 22.731) 28.696 24.238 ( 3.218 -2.793 -10.023) 10.891 24.417 ( -1.452 -2.556 -8.131) 8.647 25.182 ( 4.699 -4.941 -18.788) 19.987 ======================= Grid point 144 (74/125) ======================= q-point: (-0.43 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -9.541 8.696 14.029) 19.065 1.918 ( -17.118 5.357 2.221) 18.074 2.028 ( 4.102 -1.416 16.788) 17.340 2.353 ( -1.617 -5.642 0.824) 5.927 2.403 ( 3.410 -0.533 5.187) 6.230 2.555 ( -0.788 2.295 2.239) 3.302 2.788 ( 13.088 0.047 -5.643) 14.253 2.831 ( 4.310 0.080 -6.616) 7.897 2.932 ( -8.897 1.577 11.343) 14.502 3.118 ( -1.783 6.506 0.333) 6.755 3.439 ( -8.122 7.936 9.203) 14.617 3.663 ( 0.628 -9.474 9.223) 13.237 3.723 ( -3.099 -2.967 16.755) 17.295 3.766 ( 0.259 4.687 11.812) 12.710 3.996 ( -3.488 5.263 0.811) 6.366 4.187 ( -1.669 -0.196 15.699) 15.788 4.406 ( 1.675 -4.864 -1.042) 5.249 4.845 ( -9.668 6.796 2.729) 12.128 4.916 ( 5.043 5.145 -7.545) 10.432 4.947 ( -4.063 -5.681 7.298) 10.102 5.240 ( -0.073 -2.165 3.845) 4.413 5.401 ( 2.628 7.983 -8.512) 11.963 5.616 ( 3.275 6.443 -12.692) 14.605 5.674 ( -2.270 -3.985 -11.928) 12.779 6.370 ( -5.577 1.320 5.928) 8.245 6.597 ( -7.344 -5.150 3.153) 9.508 6.698 ( -3.804 4.655 16.213) 17.292 6.839 ( 1.484 3.097 7.313) 8.079 7.412 ( -0.599 -1.957 -0.584) 2.128 7.567 ( 6.534 -1.279 -1.882) 6.919 7.678 ( 1.337 2.041 -0.640) 2.523 8.031 ( 6.121 4.589 -6.637) 10.128 8.171 ( -3.592 7.971 -5.842) 10.516 8.340 ( 0.648 3.365 -3.912) 5.201 8.592 ( -2.857 11.029 -4.311) 12.182 8.819 ( 6.025 3.645 -5.261) 8.790 8.978 ( -6.217 3.060 8.475) 10.947 9.063 ( 2.338 -0.099 14.427) 14.616 9.343 ( -1.960 16.624 -3.019) 17.009 9.487 ( 3.438 4.391 2.673) 6.184 9.595 ( 3.403 5.723 -8.198) 10.561 10.099 ( -3.977 11.499 -11.958) 17.060 10.380 ( 10.223 -3.575 -0.942) 10.871 10.573 ( -1.379 -2.462 -0.362) 2.845 10.946 ( -0.453 3.944 6.809) 7.882 11.333 ( 0.399 0.873 9.917) 9.964 11.570 ( -1.452 -2.249 15.851) 16.075 11.844 ( -0.622 -4.677 -5.100) 6.948 12.002 ( 7.759 -4.608 -0.867) 9.066 12.319 ( -1.372 -6.777 -6.827) 9.717 12.710 ( -0.048 -2.684 10.503) 10.841 13.233 ( -6.606 1.692 -1.017) 6.895 13.310 ( -5.382 -3.277 -1.843) 6.565 13.594 ( 5.683 -4.708 8.895) 11.558 14.128 ( 3.325 -8.291 2.875) 9.384 14.723 ( 5.648 -12.905 -5.733) 15.209 15.390 ( -3.965 4.080 5.119) 7.654 15.764 ( -7.181 0.626 -5.423) 9.021 15.926 ( -7.138 -1.683 -5.713) 9.296 16.093 ( 6.223 0.241 -5.380) 8.230 16.765 ( 3.110 -3.220 26.791) 27.162 17.413 ( -7.821 -7.520 21.291) 23.896 17.647 ( 4.945 1.045 11.165) 12.256 18.090 ( 6.714 -3.660 -8.750) 11.621 18.242 ( 6.700 3.561 -8.272) 11.224 18.424 ( -1.642 -7.428 -9.017) 11.797 19.139 ( -10.322 -7.479 12.399) 17.783 20.412 ( 0.899 -13.852 -25.979) 29.455 22.719 ( -2.036 17.109 23.565) 29.192 24.263 ( 4.825 0.876 -16.374) 17.092 24.361 ( -2.622 -5.378 -2.145) 6.356 25.188 ( 3.281 -5.280 -18.879) 19.876 ======================= Grid point 145 (75/125) ======================= q-point: (-0.29 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -11.267 14.620 9.040) 20.553 1.585 ( -15.333 5.675 9.683) 19.002 2.134 ( 0.289 -1.918 14.619) 14.747 2.220 ( -9.739 -5.233 -3.958) 11.742 2.464 ( -1.853 1.121 2.006) 2.951 2.557 ( -1.831 0.861 7.696) 7.958 2.721 ( -2.368 2.134 -3.020) 4.391 2.958 ( 5.263 1.730 2.713) 6.169 3.023 ( 2.785 3.394 11.163) 11.995 3.135 ( 6.071 4.638 0.659) 7.668 3.328 ( -5.138 11.356 6.232) 13.936 3.655 ( -4.893 -10.148 11.253) 15.924 3.728 ( -3.883 -6.155 4.802) 8.719 3.817 ( 1.064 -0.489 10.113) 10.181 3.910 ( -3.486 7.286 3.405) 8.765 4.182 ( -4.914 -3.572 14.007) 15.268 4.409 ( -2.039 -3.523 -0.303) 4.081 4.628 ( -10.624 2.174 -0.469) 10.854 4.907 ( -2.542 -7.204 4.071) 8.656 5.009 ( 4.954 6.253 -0.619) 8.002 5.186 ( -4.788 -0.528 -1.843) 5.158 5.442 ( 2.457 4.194 -3.544) 6.015 5.609 ( 1.270 3.450 -9.349) 10.046 5.634 ( 1.536 1.313 -8.732) 8.963 6.248 ( -8.194 1.073 2.426) 8.612 6.446 ( -8.177 -3.548 -0.146) 8.914 6.709 ( -2.617 4.926 14.315) 15.364 6.854 ( -1.872 2.469 8.755) 9.287 7.459 ( 4.360 2.531 2.037) 5.437 7.690 ( 7.523 -0.996 -2.490) 7.987 7.781 ( 7.085 0.626 5.148) 8.780 8.025 ( -2.967 6.111 -10.835) 12.789 8.168 ( 5.951 4.030 -1.225) 7.291 8.349 ( 1.740 3.673 -2.889) 4.987 8.506 ( -4.020 4.645 -7.976) 10.068 8.818 ( -6.627 4.918 5.397) 9.861 8.947 ( 2.123 8.290 5.508) 10.177 9.178 ( 6.005 -0.371 4.324) 7.409 9.406 ( 6.168 7.409 5.356) 11.028 9.482 ( -4.448 2.619 1.869) 5.489 9.721 ( 8.945 15.107 -3.378) 17.879 10.035 ( 4.223 6.453 -13.717) 15.737 10.381 ( -5.142 -3.590 -4.535) 7.739 10.665 ( 8.984 -4.117 1.060) 9.939 10.999 ( 2.844 3.095 7.239) 8.371 11.374 ( -7.725 -0.200 12.006) 14.278 11.506 ( 1.563 2.366 -2.402) 3.717 11.821 ( -3.550 2.446 8.401) 9.442 12.208 ( 8.669 -5.893 -0.948) 10.525 12.290 ( 1.480 -6.904 -6.751) 9.768 12.763 ( 2.067 -4.229 6.531) 8.051 13.004 ( -15.468 -1.957 3.506) 15.981 13.166 ( -3.777 -4.825 -4.856) 7.819 13.860 ( 17.196 2.511 11.158) 20.652 14.256 ( 6.585 -3.052 -1.950) 7.515 14.875 ( 11.163 -9.689 -3.111) 15.105 15.155 ( -18.932 1.945 0.531) 19.039 15.676 ( -11.001 1.619 -3.939) 11.796 15.753 ( -0.666 0.540 -0.569) 1.029 16.119 ( -1.448 -3.925 -3.916) 5.731 16.901 ( 1.303 -6.886 20.744) 21.896 17.273 ( -11.371 -2.322 14.289) 18.408 17.850 ( 7.023 -8.603 12.121) 16.439 18.189 ( 6.006 -0.989 -7.144) 9.386 18.391 ( 9.748 -1.416 -4.432) 10.801 18.442 ( 11.354 -1.646 -9.497) 14.894 18.960 ( -13.034 -5.508 12.669) 18.992 20.283 ( -4.965 -15.357 -23.727) 28.696 22.810 ( 2.056 16.275 24.157) 29.200 24.284 ( -3.300 -9.340 3.112) 10.384 24.321 ( 6.123 5.574 -20.564) 22.168 25.169 ( 2.143 -5.627 -19.115) 20.041 ======================= Grid point 146 (76/125) ======================= q-point: (-0.14 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -12.857 16.513 6.154) 21.814 1.540 ( -2.838 10.290 17.738) 20.702 1.991 ( -11.508 0.941 -5.868) 12.952 2.151 ( -3.262 -3.548 12.358) 13.265 2.395 ( -5.019 2.194 2.434) 5.994 2.496 ( -3.657 -0.699 5.282) 6.463 2.795 ( 5.914 -1.773 -0.405) 6.187 2.982 ( -4.033 4.794 8.081) 10.225 3.072 ( -1.834 14.928 17.357) 22.967 3.293 ( 3.194 -6.109 -2.493) 7.331 3.327 ( 7.144 5.109 4.507) 9.872 3.591 ( -3.596 -10.237 4.203) 11.636 3.624 ( -6.245 -2.624 1.151) 6.871 3.876 ( 0.468 -2.686 8.575) 8.998 3.918 ( 2.162 2.650 7.482) 8.227 4.138 ( -4.911 -5.186 16.246) 17.746 4.320 ( -6.339 -2.251 2.744) 7.265 4.479 ( -4.577 0.584 -4.489) 6.438 4.841 ( -5.737 -4.354 -1.303) 7.319 5.041 ( -4.208 -1.988 -0.777) 4.718 5.159 ( 5.466 5.037 0.367) 7.442 5.430 ( -0.471 1.439 -8.886) 9.015 5.619 ( 1.275 4.645 -10.422) 11.481 5.647 ( 2.047 3.360 2.165) 4.490 6.117 ( -5.214 1.357 1.554) 5.608 6.321 ( -4.265 -2.371 -1.123) 5.008 6.668 ( -4.981 3.547 9.855) 11.598 6.910 ( 3.729 -0.225 9.479) 10.189 7.513 ( -0.404 5.433 -0.036) 5.448 7.815 ( 6.288 0.651 -1.196) 6.434 7.917 ( 4.129 -0.149 4.349) 5.998 8.004 ( 4.920 5.396 -5.764) 9.303 8.264 ( 3.128 1.062 -0.409) 3.328 8.347 ( -2.449 7.876 -9.041) 12.238 8.427 ( -0.472 -3.838 6.617) 7.664 8.768 ( -0.605 4.953 3.675) 6.197 8.966 ( -2.099 8.133 4.391) 9.478 9.297 ( 2.324 3.611 1.387) 4.512 9.369 ( -3.611 -1.376 -2.372) 4.534 9.574 ( 8.325 -0.504 6.881) 10.813 9.768 ( -2.201 6.640 -0.565) 7.018 10.138 ( 1.929 6.924 -9.377) 11.815 10.367 ( 11.441 5.790 -0.875) 12.852 10.834 ( 9.309 -3.707 0.424) 10.029 11.073 ( -0.155 1.494 5.631) 5.828 11.183 ( -7.892 4.634 0.041) 9.152 11.643 ( 2.806 1.831 7.708) 8.405 11.716 ( -5.441 4.768 2.796) 7.757 12.155 ( -9.971 -2.081 0.670) 10.207 12.367 ( 4.611 -6.692 -3.877) 9.004 12.700 ( -13.285 -5.709 0.035) 14.460 12.768 ( -4.862 -2.523 -0.014) 5.478 13.323 ( 18.007 2.871 1.840) 18.327 14.224 ( -3.055 -0.746 10.559) 11.017 14.292 ( 16.215 9.600 -9.614) 21.154 14.805 ( -15.950 0.424 3.290) 16.292 15.082 ( 10.293 -7.445 -0.474) 12.712 15.434 ( -9.479 2.120 -4.085) 10.537 15.758 ( -3.105 -0.630 5.134) 6.033 16.051 ( -2.167 -6.993 -5.686) 9.270 16.947 ( -3.871 -7.989 15.314) 17.701 17.142 ( -6.939 -4.402 14.220) 16.423 17.952 ( 3.569 -10.710 0.807) 11.318 18.227 ( 0.211 -1.468 -8.658) 8.784 18.548 ( 4.484 -5.899 -0.007) 7.410 18.692 ( 4.560 -6.648 14.784) 16.839 18.853 ( 8.690 4.824 -4.365) 10.855 20.080 ( -6.100 -16.490 -20.457) 26.974 22.948 ( 2.377 12.652 23.564) 26.851 24.204 ( -5.865 -8.495 6.902) 12.417 24.399 ( 9.217 5.414 -22.215) 24.653 25.135 ( 1.931 -5.740 -19.331) 20.257 ======================= Grid point 147 (77/125) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -2.142 15.967 3.456) 16.477 1.794 ( 0.548 8.404 10.970) 13.830 1.894 ( -0.024 3.559 -3.653) 5.100 2.150 ( 1.063 2.699 9.980) 10.393 2.311 ( -3.477 -2.533 -0.043) 4.302 2.450 ( -0.586 -1.922 1.997) 2.833 2.765 ( 0.499 -2.705 -0.559) 2.807 2.895 ( -9.145 -6.678 4.727) 12.271 3.112 ( 2.714 -10.094 -3.714) 11.093 3.207 ( -2.264 1.874 8.455) 8.952 3.258 ( 0.610 -9.272 2.461) 9.612 3.541 ( -3.572 1.287 4.441) 5.843 3.728 ( -3.093 -4.511 13.947) 14.981 3.859 ( 0.604 8.114 3.475) 8.848 4.073 ( -4.577 -9.807 1.321) 10.903 4.106 ( 7.301 1.586 2.826) 7.988 4.172 ( -1.960 12.550 16.595) 20.898 4.528 ( 0.892 6.948 2.195) 7.341 4.704 ( -1.879 1.000 5.284) 5.697 4.923 ( -4.225 -1.644 -1.263) 4.706 5.339 ( -1.804 6.061 0.608) 6.353 5.419 ( 2.877 -0.272 -6.245) 6.881 5.686 ( 1.876 4.277 -10.207) 11.225 5.777 ( 2.153 4.043 -4.633) 6.515 6.105 ( 2.408 -1.504 7.664) 8.173 6.243 ( 2.538 -3.425 1.342) 4.469 6.691 ( -2.891 3.112 6.800) 8.018 6.942 ( 1.393 -4.318 7.352) 8.639 7.558 ( -4.686 4.933 -3.651) 7.722 7.851 ( 2.479 -5.144 -2.739) 6.333 8.010 ( 1.543 1.831 0.527) 2.452 8.087 ( -4.985 2.101 3.962) 6.705 8.321 ( -3.582 4.625 0.910) 5.920 8.385 ( 1.302 2.788 -4.371) 5.346 8.481 ( 1.550 2.292 6.401) 6.974 8.799 ( -2.937 -2.762 -3.507) 5.343 9.066 ( 5.854 5.065 0.521) 7.759 9.227 ( -5.072 -1.434 -0.655) 5.311 9.412 ( 0.212 1.866 -2.005) 2.748 9.588 ( 1.999 -6.320 -5.274) 8.470 9.848 ( -1.774 8.098 15.702) 17.756 10.149 ( -3.932 3.470 7.104) 8.830 10.817 ( 7.852 9.350 4.368) 12.968 11.051 ( 9.810 2.779 -0.545) 10.211 11.163 ( 2.464 6.349 1.149) 6.907 11.224 ( -2.796 4.234 4.147) 6.553 11.552 ( -16.469 8.173 -3.768) 18.768 11.836 ( -9.753 1.124 -5.204) 11.112 12.010 ( 9.096 2.779 5.520) 10.997 12.327 ( 6.202 -5.238 -2.206) 8.412 12.474 ( -5.497 -0.257 0.867) 5.571 12.654 ( -2.315 -3.149 0.243) 3.916 13.767 ( 8.931 6.222 6.575) 12.716 14.031 ( -14.670 0.782 2.503) 14.902 14.635 ( 2.025 -0.600 1.745) 2.740 14.674 ( 9.078 -0.858 -3.056) 9.617 15.134 ( -1.235 -0.547 2.852) 3.156 15.361 ( 1.733 1.088 -4.488) 4.932 15.553 ( -11.870 -4.935 3.741) 13.388 15.859 ( 7.671 -13.529 -5.543) 16.511 16.766 ( -4.707 -3.747 18.096) 19.070 16.988 ( -5.085 -5.472 18.731) 20.166 17.860 ( 1.842 -6.335 -0.514) 6.618 17.981 ( -7.620 -6.860 -6.532) 12.157 18.501 ( -3.512 4.204 4.011) 6.790 18.830 ( 10.482 -3.990 8.735) 14.216 19.009 ( -2.352 4.660 -12.890) 13.906 19.715 ( 10.141 -15.099 -18.399) 25.872 23.246 ( -3.631 12.061 15.524) 19.991 23.970 ( -2.380 -10.167 8.600) 13.528 24.565 ( 5.991 4.891 -22.123) 23.436 24.980 ( 3.776 -7.246 -20.558) 22.122 ======================= Grid point 148 (78/125) ======================= q-point: ( 0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 4.602 9.572 4.919) 11.704 1.851 ( 3.703 6.272 6.221) 9.579 1.964 ( 5.106 3.443 4.278) 7.498 2.240 ( 4.599 3.935 9.364) 11.150 2.264 ( -1.259 -1.663 0.485) 2.141 2.456 ( 0.380 -1.081 0.867) 1.437 2.711 ( -6.155 -2.020 2.587) 6.976 2.765 ( -4.477 -0.767 0.486) 4.568 3.110 ( -0.806 -8.601 -4.645) 9.808 3.193 ( -3.650 0.090 10.165) 10.800 3.309 ( 4.659 -10.306 -1.269) 11.381 3.508 ( -3.176 1.267 9.054) 9.678 3.694 ( -5.118 -6.257 14.363) 16.482 3.898 ( 1.494 -4.898 4.009) 6.503 4.094 ( 5.122 1.087 1.541) 5.458 4.173 ( -2.901 11.784 17.739) 21.493 4.244 ( 3.518 5.289 -1.783) 6.598 4.582 ( 5.648 6.047 5.039) 9.688 4.788 ( 7.374 0.883 7.340) 10.442 4.870 ( 0.041 -1.406 -2.729) 3.070 5.278 ( -3.591 4.294 0.819) 5.657 5.477 ( 3.951 -3.738 -3.985) 6.743 5.661 ( 0.512 7.238 -13.364) 15.207 5.790 ( 2.060 4.733 -8.370) 9.834 6.213 ( 4.538 -1.015 10.803) 11.761 6.361 ( 8.403 -2.938 1.830) 9.088 6.689 ( 0.220 2.066 4.834) 5.261 6.971 ( -1.813 -4.822 8.782) 10.181 7.439 ( -6.026 4.275 -2.026) 7.661 7.819 ( -5.022 -2.975 -3.254) 6.682 7.976 ( -4.981 4.502 -1.477) 6.875 8.034 ( 0.381 -4.916 2.285) 5.434 8.239 ( -4.515 3.114 -2.250) 5.928 8.374 ( -2.997 -2.480 6.662) 7.715 8.585 ( 6.715 3.758 2.611) 8.126 8.717 ( -2.997 -0.488 -5.381) 6.178 9.096 ( -2.309 6.346 -2.355) 7.152 9.292 ( 10.378 3.901 4.341) 11.907 9.399 ( -0.292 0.677 -3.446) 3.524 9.560 ( -2.835 -7.237 -4.952) 9.216 9.870 ( -3.256 9.060 12.737) 15.966 10.104 ( -3.324 6.333 5.945) 9.301 10.905 ( -1.872 10.909 1.445) 11.163 10.956 ( -12.441 12.356 -1.979) 17.646 11.161 ( -0.406 6.314 0.323) 6.335 11.312 ( -4.885 1.987 2.317) 5.760 11.355 ( 4.067 -0.665 9.005) 9.903 11.628 ( -7.298 -3.616 -5.629) 9.901 12.243 ( 7.236 2.923 0.051) 7.805 12.382 ( -0.263 0.389 -5.057) 5.078 12.465 ( 7.328 -0.464 4.173) 8.445 12.661 ( 4.031 -5.164 4.283) 7.826 13.670 ( -17.222 4.333 2.414) 17.922 13.773 ( -11.300 8.334 5.479) 15.072 14.620 ( -11.432 -11.128 2.069) 16.087 14.760 ( -1.676 -12.733 -5.147) 13.836 15.164 ( 10.298 8.678 1.563) 13.558 15.341 ( -1.060 0.828 -1.101) 1.738 15.549 ( 9.557 -1.466 2.198) 9.916 16.038 ( 10.535 -10.078 -4.840) 15.362 16.735 ( -5.720 -0.945 17.841) 18.759 16.997 ( -1.651 -7.813 19.819) 21.367 17.760 ( -7.283 -4.529 -2.183) 8.850 17.981 ( 5.216 -10.228 -1.568) 11.588 18.394 ( -8.157 5.824 -0.098) 10.024 18.792 ( -11.726 -0.591 -5.383) 12.916 19.055 ( 7.834 2.229 3.017) 8.686 19.909 ( 15.043 -16.997 -21.240) 31.085 23.196 ( -7.313 13.083 15.572) 21.613 23.981 ( 0.170 -10.669 7.624) 13.114 24.572 ( 3.172 4.421 -21.451) 22.131 24.992 ( 5.376 -7.279 -20.348) 22.270 ======================= Grid point 149 (79/125) ======================= q-point: ( 0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 5.254 3.192 6.282) 8.790 1.940 ( 0.289 2.232 8.068) 8.376 2.079 ( 5.177 0.097 7.689) 9.270 2.246 ( -1.965 -5.604 2.586) 6.477 2.391 ( 7.756 6.706 5.456) 11.614 2.496 ( 4.316 5.205 0.707) 6.799 2.623 ( -2.881 1.684 1.452) 3.639 2.713 ( -1.276 2.530 -0.253) 2.845 3.063 ( -1.880 -8.342 -4.843) 9.828 3.145 ( -3.819 -1.603 6.161) 7.424 3.414 ( 3.201 -7.627 5.504) 9.935 3.487 ( -0.731 -1.508 9.663) 9.807 3.664 ( -3.798 -4.083 17.929) 18.777 3.947 ( 1.035 -1.333 1.716) 2.407 4.104 ( -2.385 2.564 5.127) 6.209 4.231 ( -1.987 8.449 8.754) 12.327 4.294 ( 4.969 9.446 6.932) 12.727 4.735 ( 5.545 3.283 5.666) 8.581 4.931 ( 7.122 -1.275 -2.545) 7.670 4.963 ( 7.880 0.357 4.142) 8.910 5.210 ( -4.896 2.441 4.696) 7.209 5.528 ( 2.980 -6.054 -5.991) 9.024 5.630 ( 2.458 8.126 -15.068) 17.295 5.793 ( 1.559 4.803 -9.725) 10.958 6.326 ( 3.014 0.099 9.803) 10.257 6.517 ( 5.973 -2.973 2.716) 7.203 6.721 ( 1.555 1.975 2.420) 3.489 6.927 ( -6.849 -3.621 11.822) 14.134 7.357 ( -1.420 2.415 0.995) 2.973 7.660 ( -9.376 -0.748 -3.788) 10.140 7.903 ( -2.306 4.215 -5.936) 7.636 8.065 ( 2.075 -8.932 3.899) 9.964 8.119 ( -5.417 2.550 -4.382) 7.419 8.396 ( 2.446 -1.462 7.901) 8.399 8.658 ( -1.001 1.804 -0.415) 2.104 8.717 ( 6.060 2.791 -1.731) 6.893 9.079 ( 1.145 6.210 -0.001) 6.315 9.331 ( -7.885 6.391 0.593) 10.167 9.476 ( 1.551 -1.492 -3.053) 3.735 9.500 ( 4.405 3.093 -1.110) 5.496 9.871 ( 3.298 4.327 8.283) 9.910 10.040 ( -6.281 6.118 1.420) 8.882 10.618 ( -13.617 11.757 -4.660) 18.584 10.923 ( -4.195 15.851 -0.004) 16.397 11.102 ( -3.795 2.340 -5.818) 7.329 11.327 ( 0.910 -0.814 14.788) 14.838 11.395 ( -1.346 -0.821 8.367) 8.514 11.546 ( 0.400 -4.922 -4.611) 6.757 12.187 ( -7.407 0.847 2.303) 7.803 12.359 ( -4.230 -4.561 -4.239) 7.527 12.641 ( 8.054 3.358 4.514) 9.824 12.925 ( 19.395 -2.918 6.261) 20.588 13.379 ( -10.686 5.539 -6.932) 13.890 13.588 ( -11.037 3.858 10.118) 15.462 14.318 ( -19.739 -13.464 3.493) 24.147 14.570 ( -11.487 -19.278 -6.135) 23.264 15.305 ( 5.225 4.316 0.150) 6.778 15.581 ( 19.866 10.196 0.031) 22.330 15.747 ( 9.449 -5.097 2.707) 11.072 16.144 ( 2.028 -4.199 -6.386) 7.907 16.691 ( -5.644 1.790 19.062) 19.960 17.059 ( 0.019 -9.366 20.923) 22.923 17.674 ( -1.555 -1.855 2.047) 3.170 18.073 ( 4.201 -10.069 -0.490) 10.921 18.220 ( -8.349 3.760 -5.093) 10.478 18.552 ( -10.592 -0.086 -6.733) 12.551 19.165 ( 2.321 1.535 3.982) 4.858 20.066 ( 10.089 -18.336 -23.408) 31.399 23.111 ( -7.303 15.543 16.270) 23.656 24.020 ( 0.933 -11.878 6.587) 13.614 24.535 ( 1.520 5.357 -21.278) 21.994 25.023 ( 5.601 -7.795 -20.097) 22.271 ======================= Grid point 150 (80/125) ======================= q-point: ( 0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 2.126 -3.492 8.453) 9.389 1.907 ( -4.791 3.326 9.424) 11.083 2.186 ( -3.430 -4.022 7.626) 9.279 2.205 ( 2.743 -3.536 1.802) 4.824 2.522 ( 0.756 2.590 -2.768) 3.865 2.556 ( 1.561 9.812 6.582) 11.918 2.637 ( 4.145 7.223 0.149) 8.329 2.744 ( 5.717 -0.424 -3.300) 6.615 3.008 ( -4.154 -7.762 4.679) 9.970 3.153 ( 3.962 1.631 3.826) 5.744 3.410 ( -3.503 -7.964 7.726) 11.636 3.542 ( -2.103 -1.562 14.841) 15.071 3.738 ( 6.014 -0.057 13.049) 14.368 3.896 ( -5.837 9.888 0.705) 11.503 4.130 ( 1.962 -8.495 7.840) 11.725 4.215 ( -2.121 10.203 3.235) 10.912 4.363 ( -2.305 8.805 13.396) 16.196 4.817 ( 0.549 -3.275 6.481) 7.282 5.017 ( 3.481 4.110 -3.529) 6.439 5.099 ( -1.510 3.833 4.347) 5.989 5.139 ( 0.922 -1.860 1.896) 2.811 5.520 ( -0.673 -2.661 -7.494) 7.981 5.654 ( 4.363 4.328 -13.390) 14.733 5.770 ( 0.217 5.124 -11.103) 12.230 6.388 ( -0.203 -0.611 7.503) 7.531 6.567 ( -2.722 -4.112 6.183) 7.909 6.768 ( 2.080 2.238 1.936) 3.617 6.838 ( -4.914 -0.582 12.608) 13.544 7.394 ( 2.676 0.231 1.402) 3.030 7.492 ( -4.817 -0.706 -3.844) 6.203 7.803 ( -5.724 2.634 -2.489) 6.775 8.073 ( 2.536 4.089 -7.869) 9.224 8.145 ( 4.410 -6.156 5.308) 9.248 8.472 ( 2.226 5.751 0.504) 6.187 8.683 ( 3.889 -4.264 1.586) 5.984 8.813 ( 4.695 3.707 -2.817) 6.612 9.091 ( -6.425 3.657 7.852) 10.785 9.158 ( -3.770 9.218 0.974) 10.006 9.508 ( 3.107 -0.487 -4.697) 5.652 9.573 ( 5.552 10.900 -1.643) 12.342 9.858 ( -11.725 9.813 1.244) 15.340 10.077 ( 12.704 -3.493 2.178) 13.354 10.432 ( -5.033 8.297 -4.508) 10.700 10.735 ( -12.301 5.989 -7.370) 15.540 11.036 ( -3.137 3.736 3.552) 6.034 11.346 ( -2.726 -7.651 10.752) 13.474 11.416 ( 1.201 7.180 6.279) 9.613 11.656 ( 10.816 0.057 1.026) 10.865 12.053 ( -7.794 -1.036 3.241) 8.505 12.243 ( -5.287 -7.921 -3.217) 10.052 12.725 ( -1.386 5.276 5.235) 7.561 13.269 ( 2.781 -4.686 -4.391) 6.998 13.309 ( 14.600 4.300 2.495) 15.423 13.434 ( -8.683 1.383 7.013) 11.247 13.978 ( -14.869 -12.993 3.977) 20.142 14.390 ( -4.040 -20.085 -6.312) 21.437 15.416 ( 5.353 4.926 4.155) 8.378 15.884 ( 6.038 0.501 -2.038) 6.393 15.894 ( 8.189 -1.498 1.299) 8.426 16.076 ( -3.980 1.741 -8.058) 9.155 16.679 ( -3.426 2.708 22.039) 22.467 17.144 ( 0.515 -9.958 22.645) 24.743 17.698 ( 0.901 1.270 7.866) 8.018 18.038 ( -3.823 3.331 -8.270) 9.701 18.168 ( 3.428 -9.803 -2.792) 10.754 18.370 ( -5.302 -2.439 -9.146) 10.849 19.170 ( -3.214 1.960 3.801) 5.350 20.118 ( 4.828 -18.992 -24.081) 31.047 23.059 ( -4.440 17.446 17.040) 24.788 24.057 ( 0.382 -12.981 6.425) 14.489 24.484 ( 1.760 7.041 -21.792) 22.968 25.047 ( 4.607 -8.326 -20.073) 22.214 ======================= Grid point 151 (81/125) ======================= q-point: (-0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -6.828 -0.217 10.710) 12.704 1.935 ( 1.381 0.893 7.649) 7.824 2.090 ( -6.333 -0.837 5.111) 8.181 2.270 ( 0.099 -2.419 -1.660) 2.935 2.427 ( -5.205 5.602 4.508) 8.877 2.588 ( -0.923 1.368 -0.980) 1.919 2.746 ( 6.925 -1.748 -2.551) 7.584 2.847 ( 1.996 -2.375 -4.203) 5.224 2.961 ( -0.702 1.851 12.495) 12.651 3.282 ( 5.624 7.614 4.823) 10.624 3.349 ( -6.387 -10.713 8.216) 14.935 3.545 ( -1.995 -1.998 14.407) 14.681 3.783 ( -5.796 9.552 6.727) 13.042 3.907 ( 5.184 3.082 5.427) 8.113 4.160 ( -4.134 9.365 0.609) 10.255 4.191 ( -0.248 -3.098 11.114) 11.541 4.323 ( -5.870 2.240 12.648) 14.123 4.790 ( -4.877 -6.636 6.564) 10.531 4.941 ( -11.422 3.493 0.743) 11.967 5.092 ( 4.562 7.889 -1.668) 9.264 5.192 ( -0.232 -2.741 2.456) 3.688 5.490 ( 0.394 -1.812 -2.249) 2.915 5.646 ( -0.193 3.867 -11.437) 12.074 5.752 ( 2.840 6.205 -14.418) 15.951 6.349 ( -6.337 -2.842 4.819) 8.453 6.479 ( -7.603 -5.976 5.215) 10.987 6.782 ( -1.145 3.596 11.024) 11.652 6.883 ( 1.754 1.010 6.777) 7.073 7.394 ( 1.841 -0.145 -1.041) 2.119 7.509 ( 3.781 -4.082 -3.680) 6.671 7.761 ( 2.239 6.129 4.646) 8.011 8.098 ( 2.740 1.195 -10.751) 11.159 8.249 ( 3.979 2.790 4.648) 6.725 8.464 ( -2.234 9.400 -2.132) 9.894 8.734 ( 0.215 -2.978 -7.097) 7.700 8.878 ( 3.657 3.481 2.782) 5.764 9.022 ( -1.984 3.270 6.642) 7.665 9.116 ( -3.837 3.710 3.979) 6.657 9.510 ( -1.490 3.084 -2.582) 4.289 9.692 ( -6.074 12.102 7.750) 15.602 9.758 ( 14.562 10.168 -5.040) 18.462 10.251 ( 0.944 0.226 -5.001) 5.095 10.339 ( -1.553 2.071 -3.200) 4.116 10.523 ( -4.241 -2.686 -6.623) 8.310 11.020 ( 0.440 3.805 5.354) 6.584 11.370 ( 0.879 -5.361 9.889) 11.283 11.518 ( 5.899 5.939 13.240) 15.665 11.808 ( 0.522 3.081 -5.177) 6.047 11.979 ( 3.986 -0.959 2.635) 4.874 12.174 ( 0.030 -7.082 -5.296) 8.844 12.698 ( -2.639 1.867 9.265) 9.813 13.168 ( -8.973 -8.381 -4.423) 13.051 13.283 ( -11.926 2.538 3.071) 12.574 13.599 ( 13.598 4.397 7.589) 16.182 13.911 ( 6.217 -12.506 0.439) 13.973 14.408 ( 8.397 -17.696 -5.413) 20.321 15.492 ( -1.607 5.983 4.983) 7.950 15.816 ( -9.013 2.702 -2.105) 9.642 15.878 ( -4.487 -1.803 -3.481) 5.958 16.095 ( 2.426 -0.320 -4.645) 5.250 16.721 ( -1.445 -0.342 23.770) 23.816 17.213 ( -3.636 -11.810 22.865) 25.991 17.723 ( -0.735 5.616 9.248) 10.844 18.040 ( 7.855 -0.512 -9.835) 12.597 18.226 ( 3.831 -7.275 -2.753) 8.670 18.299 ( 1.691 -3.763 -10.386) 11.176 19.086 ( -6.525 3.797 3.026) 8.133 20.075 ( -0.130 -19.117 -23.224) 30.080 23.072 ( -1.006 17.767 17.372) 24.869 24.075 ( -1.388 -13.575 7.282) 15.468 24.453 ( 3.822 8.451 -22.785) 24.601 25.048 ( 3.338 -8.545 -20.252) 22.233 ======================= Grid point 152 (82/125) ======================= q-point: (-0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -4.553 5.536 10.267) 12.521 1.864 ( -9.672 9.707 3.997) 14.274 2.075 ( 0.517 -1.146 6.168) 6.294 2.150 ( -8.195 -0.945 0.007) 8.249 2.447 ( 1.047 -2.841 0.510) 3.070 2.558 ( -0.433 -0.914 0.959) 1.394 2.703 ( -8.818 -2.914 1.505) 9.408 2.901 ( 7.763 -3.370 -3.209) 9.051 3.077 ( 4.584 1.388 6.544) 8.109 3.223 ( -7.673 -7.797 4.532) 11.841 3.355 ( -1.555 3.671 7.705) 8.676 3.578 ( -0.345 -3.875 11.970) 12.587 3.726 ( -3.704 10.229 11.250) 15.650 3.937 ( -1.854 3.961 -3.601) 5.665 4.078 ( -4.673 8.352 2.393) 9.865 4.178 ( -6.362 9.142 19.037) 22.056 4.275 ( -3.686 -9.775 5.878) 11.987 4.690 ( -9.385 3.076 -0.496) 9.888 4.770 ( -3.732 -4.524 7.048) 9.169 5.120 ( -4.045 -1.079 1.114) 4.332 5.197 ( 3.295 5.669 1.060) 6.642 5.515 ( 0.482 1.158 1.479) 1.939 5.607 ( 1.622 1.545 -9.034) 9.307 5.746 ( 1.903 5.607 -13.506) 14.747 6.218 ( -7.831 -3.245 1.537) 8.615 6.355 ( -6.686 -5.299 2.368) 8.853 6.800 ( -1.852 3.533 10.462) 11.196 6.878 ( -4.246 0.186 8.675) 9.660 7.495 ( 7.576 0.506 0.114) 7.594 7.612 ( 9.070 -5.240 -3.828) 11.153 7.872 ( 5.508 7.449 6.526) 11.332 8.083 ( -0.008 1.213 -9.413) 9.491 8.312 ( 1.994 9.063 1.031) 9.337 8.414 ( -1.857 6.085 1.141) 6.463 8.667 ( -4.560 5.761 -11.207) 13.401 8.863 ( -6.749 -0.321 5.838) 8.929 9.008 ( 2.512 0.078 1.858) 3.126 9.178 ( 6.285 -1.686 2.535) 6.984 9.471 ( -1.853 1.818 -0.029) 2.596 9.613 ( -6.329 7.518 8.385) 12.918 9.991 ( -0.226 10.016 3.245) 10.531 10.161 ( 8.839 6.138 -11.043) 15.419 10.330 ( -1.593 -2.052 -1.096) 2.819 10.579 ( 9.734 -4.427 -0.911) 10.733 11.091 ( 4.403 6.420 2.907) 8.310 11.402 ( -3.692 0.903 9.789) 10.501 11.594 ( 0.799 6.440 1.533) 6.668 11.844 ( 3.931 1.051 8.606) 9.520 12.100 ( 6.479 -4.349 -7.338) 10.711 12.202 ( 2.798 -2.307 -2.028) 4.155 12.700 ( -2.096 -1.461 7.922) 8.324 12.966 ( -13.965 -3.490 2.798) 14.664 13.109 ( 0.810 1.564 -1.496) 2.311 13.875 ( 12.340 -4.485 11.409) 17.394 14.131 ( 16.647 -5.322 -5.334) 18.273 14.612 ( 12.810 -13.766 -3.256) 19.084 15.304 ( -16.535 10.784 -0.071) 19.741 15.696 ( -9.539 0.274 0.006) 9.543 15.760 ( -2.387 0.084 -0.324) 2.410 16.039 ( -6.002 -4.922 -4.245) 8.848 16.773 ( -2.409 -4.271 21.365) 21.921 17.155 ( -9.528 -9.660 19.324) 23.612 17.771 ( 1.675 1.651 7.005) 7.389 18.182 ( 6.792 -0.127 -8.348) 10.762 18.323 ( 8.854 -5.118 -0.358) 10.233 18.353 ( 7.550 -6.833 -6.395) 12.024 18.981 ( -4.027 7.801 0.142) 8.780 19.943 ( -5.172 -18.069 -21.109) 28.263 23.138 ( 1.027 16.276 17.046) 23.591 24.054 ( -3.705 -12.814 8.185) 15.650 24.466 ( 6.501 8.191 -23.212) 25.458 25.027 ( 2.489 -8.324 -20.455) 22.224 ======================= Grid point 153 (83/125) ======================= q-point: (-0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -7.631 15.148 4.493) 17.546 1.752 ( -2.221 10.058 10.016) 14.367 1.988 ( -6.096 0.824 -6.035) 8.617 2.117 ( -1.087 -0.811 11.021) 11.105 2.391 ( -4.759 -1.587 -0.509) 5.042 2.494 ( -5.670 -1.026 2.949) 6.472 2.700 ( 5.592 -5.387 -0.376) 7.774 3.030 ( 7.078 -8.543 -4.660) 12.033 3.042 ( -8.848 -3.785 7.741) 12.351 3.199 ( 2.114 -7.543 -0.276) 7.839 3.299 ( -6.913 1.764 11.765) 13.759 3.589 ( -2.523 -3.770 6.305) 7.768 3.719 ( -2.258 10.184 13.570) 17.116 3.875 ( -1.781 4.092 -3.790) 5.854 4.025 ( -0.972 5.313 3.477) 6.423 4.150 ( -3.656 10.269 18.474) 21.450 4.192 ( -7.062 -10.356 5.779) 13.802 4.545 ( -4.532 6.384 0.950) 7.887 4.750 ( -2.520 -3.383 2.757) 5.039 5.021 ( -5.998 -2.075 1.608) 6.547 5.284 ( 4.610 6.853 2.219) 8.552 5.469 ( -2.931 2.705 -7.206) 8.236 5.657 ( 3.878 0.448 -3.297) 5.109 5.745 ( 2.751 4.548 -7.828) 9.462 6.104 ( -4.163 -1.929 2.003) 5.007 6.258 ( -3.912 -4.085 1.013) 5.746 6.749 ( -5.820 3.573 7.856) 10.409 6.883 ( 1.092 -2.190 8.732) 9.069 7.602 ( 2.286 2.758 -1.816) 4.017 7.766 ( 7.446 -4.726 -3.372) 9.442 7.967 ( 2.222 4.266 3.830) 6.148 8.084 ( 3.047 3.477 -1.821) 4.970 8.332 ( -0.574 6.535 0.678) 6.596 8.425 ( 2.475 3.374 2.279) 4.765 8.496 ( -8.161 5.973 -5.435) 11.481 8.822 ( -0.473 -0.215 2.586) 2.638 9.030 ( -0.221 -0.578 -1.816) 1.918 9.282 ( 2.517 -5.530 -1.061) 6.167 9.429 ( -2.531 4.327 -0.742) 5.067 9.557 ( -0.880 0.653 5.881) 5.982 9.881 ( -6.345 5.192 6.227) 10.295 10.204 ( -3.818 -0.096 2.313) 4.465 10.547 ( 18.821 9.625 1.626) 21.202 10.794 ( 13.206 -0.556 -1.320) 13.283 11.156 ( 1.090 6.750 0.466) 6.854 11.302 ( -6.222 6.026 1.813) 8.849 11.711 ( 7.049 5.107 5.752) 10.434 11.828 ( -6.489 6.525 3.196) 9.741 12.137 ( -9.628 -1.238 -0.661) 9.730 12.215 ( 7.215 -7.618 -5.216) 11.717 12.604 ( -8.543 -2.933 0.621) 9.054 12.742 ( -8.213 -1.417 1.650) 8.496 13.387 ( 23.223 4.569 4.414) 24.076 14.109 ( 5.059 -10.095 10.688) 15.548 14.430 ( 16.576 4.207 -7.288) 18.589 14.735 ( -4.246 -7.003 0.512) 8.206 15.073 ( -1.349 6.878 0.151) 7.010 15.482 ( -10.224 2.628 -3.171) 11.023 15.715 ( -5.152 -3.535 3.506) 7.165 15.881 ( -7.102 -10.953 -5.159) 14.037 16.782 ( -4.170 -5.433 19.188) 20.374 17.048 ( -8.318 -5.990 17.964) 20.683 17.815 ( 1.817 -2.123 1.454) 3.150 18.153 ( -5.389 -6.281 -8.087) 11.571 18.478 ( 5.681 -1.060 -0.831) 5.838 18.571 ( 12.529 -4.794 9.696) 16.552 18.983 ( 6.060 8.109 -9.527) 13.901 19.755 ( -5.496 -15.799 -18.348) 24.829 23.216 ( 0.265 13.691 16.233) 21.237 24.005 ( -4.409 -11.181 8.696) 14.835 24.517 ( 7.506 6.538 -22.842) 24.917 24.997 ( 2.530 -7.758 -20.572) 22.132 ======================= Grid point 154 (84/125) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -2.120 11.238 2.679) 11.745 1.894 ( 0.319 1.383 8.094) 8.218 1.962 ( -1.933 5.190 -0.987) 5.626 2.140 ( -2.348 -7.604 0.937) 8.013 2.314 ( 1.169 5.947 -0.127) 6.062 2.426 ( 0.593 -1.861 -0.506) 2.018 2.666 ( -0.015 -5.234 4.076) 6.634 2.711 ( -1.027 -7.904 2.753) 8.432 3.028 ( 2.546 1.871 -4.306) 5.340 3.111 ( 2.384 -4.927 -3.357) 6.421 3.357 ( -8.183 9.155 16.465) 20.539 3.497 ( -3.977 -4.053 9.599) 11.153 3.638 ( -5.237 -1.159 10.357) 11.664 3.765 ( -8.023 -12.057 5.125) 15.363 4.043 ( 2.497 3.970 0.955) 4.786 4.102 ( 2.987 -1.739 2.706) 4.389 4.485 ( 2.429 14.298 5.753) 15.602 4.652 ( 0.776 0.260 5.115) 5.180 4.750 ( -1.207 4.324 5.335) 6.973 4.851 ( -3.756 -5.140 1.352) 6.508 5.438 ( -0.728 2.418 1.292) 2.837 5.443 ( -3.951 2.527 0.143) 4.692 5.750 ( 5.000 2.996 -10.953) 12.408 5.810 ( 4.387 -1.512 -10.322) 11.317 6.095 ( 2.001 1.553 8.430) 8.803 6.162 ( 2.183 -4.266 4.979) 6.910 6.757 ( -2.252 3.626 6.336) 7.639 6.844 ( -0.199 -5.001 6.693) 8.358 7.649 ( -2.489 4.093 -3.473) 5.917 7.736 ( 0.486 -5.102 -2.100) 5.538 8.066 ( -0.703 3.628 1.089) 3.853 8.120 ( -2.951 -0.676 1.702) 3.473 8.400 ( -6.385 2.752 -0.444) 6.967 8.419 ( -4.562 0.716 -1.924) 5.003 8.566 ( 1.427 5.959 2.341) 6.560 8.699 ( -1.474 -6.563 -1.885) 6.986 9.116 ( 7.304 1.013 -2.226) 7.702 9.158 ( 2.289 -3.659 -3.272) 5.416 9.466 ( -1.748 2.806 -1.025) 3.461 9.514 ( -1.727 -2.096 -1.454) 3.081 10.020 ( -0.002 8.358 17.854) 19.713 10.149 ( -0.820 -3.680 13.795) 14.301 10.978 ( 9.533 6.354 4.963) 12.485 11.062 ( 11.870 -1.909 3.620) 12.556 11.271 ( -2.032 3.985 0.459) 4.497 11.297 ( -4.006 1.717 0.494) 4.386 11.709 ( -16.116 7.024 -4.813) 18.227 11.818 ( -15.062 -3.349 -6.268) 16.654 12.107 ( 12.833 5.882 0.815) 14.140 12.222 ( 10.203 -5.379 -1.872) 11.685 12.496 ( -4.333 2.991 2.294) 5.743 12.580 ( -4.023 -4.412 1.079) 6.067 13.879 ( 6.457 5.336 7.318) 11.123 13.983 ( -1.952 -4.590 6.016) 7.815 14.633 ( -2.946 0.387 -0.002) 2.971 14.652 ( -0.446 -1.308 -2.325) 2.705 15.206 ( 2.920 8.001 0.780) 8.552 15.377 ( -6.455 -3.083 -3.792) 8.097 15.454 ( -0.377 -1.832 -0.110) 1.874 15.570 ( 4.805 -12.104 -2.817) 13.325 16.775 ( -4.459 3.879 21.008) 21.823 16.879 ( -5.270 -5.643 20.624) 22.022 17.802 ( -2.604 0.357 -1.475) 3.013 17.859 ( -6.028 -4.885 -3.726) 8.607 18.607 ( 0.922 5.876 2.293) 6.374 18.726 ( 5.774 -5.781 4.270) 9.219 19.169 ( 3.029 10.723 -15.035) 18.714 19.421 ( 7.505 -13.949 -16.670) 22.996 23.495 ( -3.032 12.579 11.880) 17.566 23.745 ( -2.555 -12.030 9.981) 15.839 24.682 ( 5.029 6.662 -22.326) 23.835 24.827 ( 4.332 -7.652 -21.624) 23.344 ======================= Grid point 155 (85/125) ======================= q-point: ( 0.14 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -0.104 12.968 1.748) 13.086 1.928 ( 0.938 1.580 7.987) 8.196 1.990 ( 2.606 -0.083 4.396) 5.111 2.100 ( -1.079 -10.357 -1.505) 10.521 2.376 ( 4.970 6.032 0.121) 7.817 2.466 ( 3.686 -1.023 -1.704) 4.188 2.650 ( -1.300 -0.431 4.682) 4.878 2.728 ( 0.440 -5.440 4.452) 7.043 3.040 ( -0.475 3.780 -5.953) 7.068 3.142 ( 1.487 -5.052 -2.734) 5.934 3.296 ( -3.370 6.953 15.884) 17.664 3.451 ( -5.782 -6.786 13.768) 16.402 3.603 ( -2.121 -1.055 9.534) 9.823 3.696 ( 0.013 -9.587 3.040) 10.057 4.155 ( 6.724 3.485 4.127) 8.625 4.219 ( 5.694 -2.476 8.037) 10.156 4.517 ( -0.799 14.467 4.100) 15.058 4.704 ( 2.028 0.689 8.034) 8.314 4.778 ( 3.004 -0.049 1.030) 3.176 4.836 ( 3.759 -2.130 -1.815) 4.686 5.366 ( -5.018 3.760 3.947) 7.409 5.419 ( -1.078 -2.105 -0.829) 2.506 5.776 ( 2.539 4.719 -12.111) 13.243 5.841 ( 3.256 -0.672 -11.987) 12.440 6.211 ( 5.914 1.656 9.924) 11.670 6.280 ( 7.568 -4.425 4.942) 10.064 6.758 ( -0.218 4.557 5.779) 7.362 6.864 ( -0.939 -5.680 7.751) 9.655 7.548 ( -6.118 6.320 -1.658) 8.951 7.689 ( -4.401 -7.643 -0.899) 8.865 8.026 ( -4.322 2.760 2.134) 5.554 8.055 ( -3.147 1.237 -3.692) 5.007 8.280 ( -6.035 1.067 -2.230) 6.522 8.311 ( -5.149 -2.728 3.483) 6.789 8.644 ( 4.848 2.531 2.590) 6.051 8.690 ( 0.923 -2.055 -2.058) 3.051 9.185 ( 2.765 3.818 -5.610) 7.327 9.277 ( 8.948 -4.754 -4.261) 10.992 9.438 ( -0.358 2.457 0.658) 2.569 9.475 ( -1.758 -1.434 1.355) 2.642 10.068 ( -2.808 8.635 14.490) 17.100 10.166 ( -2.949 -0.705 10.800) 11.218 11.100 ( -0.154 8.463 3.624) 9.207 11.168 ( -4.834 7.722 -0.069) 9.111 11.214 ( 0.825 -1.057 3.169) 3.441 11.300 ( -1.701 -4.689 7.921) 9.360 11.401 ( -10.020 6.169 -5.429) 12.959 11.531 ( -10.089 -6.105 -7.029) 13.729 12.315 ( 3.852 3.547 -4.326) 6.792 12.368 ( 2.026 -1.681 -5.409) 6.016 12.490 ( 7.432 2.825 6.752) 10.431 12.566 ( 5.373 -4.343 5.952) 9.120 13.788 ( -13.418 7.209 5.425) 16.169 13.875 ( -10.609 0.713 5.133) 11.807 14.444 ( -17.003 -5.059 0.877) 17.761 14.492 ( -14.139 -10.348 -3.507) 17.869 15.325 ( 4.734 6.053 -0.936) 7.741 15.395 ( 10.182 0.709 1.436) 10.307 15.553 ( 11.934 6.059 -2.454) 13.607 15.788 ( 15.801 -13.863 -3.139) 21.253 16.765 ( -4.571 3.883 20.488) 21.348 16.867 ( -3.843 -5.740 20.684) 21.807 17.725 ( -3.860 1.107 -0.841) 4.102 17.805 ( 0.519 -6.710 -0.898) 6.789 18.538 ( -7.791 7.975 -0.093) 11.149 18.697 ( -8.242 -7.312 -0.337) 11.023 19.234 ( 8.094 13.870 -11.088) 19.515 19.558 ( 11.495 -17.468 -17.342) 27.166 23.468 ( -4.317 13.805 11.937) 18.753 23.740 ( -1.775 -13.041 9.752) 16.381 24.685 ( 4.023 6.793 -22.073) 23.443 24.836 ( 4.895 -7.923 -21.399) 23.338 ======================= Grid point 156 (86/125) ======================= q-point: ( 0.29 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -0.057 9.338 3.598) 10.007 1.959 ( -1.676 -1.409 8.032) 8.325 2.060 ( 2.585 -1.454 6.709) 7.336 2.096 ( 0.155 -7.213 0.468) 7.230 2.474 ( 5.741 3.855 -4.789) 8.411 2.544 ( 5.705 -1.893 -3.512) 6.962 2.678 ( 2.495 3.963 2.057) 5.115 2.784 ( 3.697 -4.080 7.734) 9.494 2.968 ( -5.261 7.130 0.658) 8.885 3.124 ( -2.725 -4.059 5.363) 7.257 3.352 ( 0.573 1.158 12.203) 12.271 3.417 ( -0.679 -4.594 12.248) 13.099 3.632 ( 1.724 2.543 10.066) 10.524 3.773 ( 5.687 -9.910 4.221) 12.180 4.226 ( -2.371 5.731 4.340) 7.570 4.307 ( -0.074 -1.350 7.814) 7.930 4.545 ( 2.107 13.117 7.709) 15.360 4.743 ( -1.122 -4.608 9.970) 11.041 4.905 ( 10.024 1.271 -4.524) 11.071 4.961 ( 8.825 -1.925 -3.632) 9.735 5.287 ( -5.142 5.181 5.904) 9.388 5.402 ( -0.472 -6.014 -0.152) 6.035 5.773 ( 2.307 5.881 -12.581) 14.078 5.847 ( 2.059 -0.599 -12.003) 12.193 6.350 ( 4.398 2.827 7.824) 9.410 6.433 ( 5.736 -4.795 3.891) 8.428 6.778 ( -0.024 3.368 5.420) 6.382 6.852 ( -3.782 -3.828 9.307) 10.751 7.448 ( -3.266 6.267 0.149) 7.068 7.586 ( -5.685 -6.457 -2.370) 8.924 7.948 ( -4.666 -0.295 4.511) 6.496 7.962 ( -5.020 -0.649 -2.686) 5.731 8.186 ( -0.980 5.141 -1.447) 5.430 8.313 ( 3.333 -6.221 3.320) 7.799 8.700 ( 0.794 2.579 -2.324) 3.561 8.739 ( 4.310 -0.753 1.468) 4.615 9.197 ( 0.038 5.905 -3.447) 6.837 9.327 ( -2.706 -6.861 -2.753) 7.872 9.470 ( 4.651 5.528 -1.600) 7.399 9.554 ( 9.432 -1.775 -0.281) 9.602 10.017 ( -5.536 7.964 9.801) 13.788 10.107 ( -6.795 -0.344 7.470) 10.104 10.867 ( -14.734 12.302 -4.241) 19.657 11.053 ( -14.372 -4.141 -6.969) 16.500 11.187 ( -1.135 6.221 1.881) 6.597 11.290 ( -1.993 -3.820 5.811) 7.234 11.397 ( 5.271 2.610 6.705) 8.919 11.471 ( 4.759 -3.457 1.360) 6.038 12.209 ( -9.414 1.908 0.530) 9.620 12.271 ( -8.719 -4.009 -1.805) 9.764 12.739 ( 12.928 5.931 4.516) 14.923 12.853 ( 17.702 -4.810 4.969) 19.005 13.549 ( -10.823 10.976 -4.054) 15.939 13.668 ( -12.167 1.775 5.724) 13.562 14.096 ( -19.887 -6.977 2.727) 21.251 14.177 ( -15.064 -16.030 -2.296) 22.117 15.422 ( 5.769 7.069 1.324) 9.219 15.577 ( 7.581 -7.800 3.454) 11.412 15.833 ( 15.882 10.968 -4.092) 19.731 16.028 ( 9.952 -7.780 -6.134) 14.043 16.759 ( -3.848 5.170 20.589) 21.574 16.891 ( -1.673 -7.591 20.740) 22.149 17.694 ( 0.471 4.201 2.724) 5.029 17.844 ( 3.262 -10.404 2.042) 11.093 18.351 ( -10.563 7.674 -3.538) 13.527 18.494 ( -10.949 -5.755 -4.699) 13.232 19.328 ( 4.997 14.050 -9.234) 17.540 19.678 ( 7.723 -19.466 -18.079) 27.666 23.431 ( -4.053 16.135 12.423) 20.763 23.747 ( -1.358 -14.959 9.728) 17.896 24.674 ( 3.418 8.171 -22.044) 23.756 24.851 ( 4.826 -9.067 -21.248) 23.601 ======================= Grid point 157 (87/125) ======================= q-point: ( 0.43 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -2.275 5.512 6.202) 8.603 1.936 ( -3.575 -3.081 8.525) 9.744 2.083 ( -0.967 -1.932 1.217) 2.479 2.131 ( 2.599 -4.001 2.046) 5.192 2.560 ( 5.103 3.921 -4.028) 7.592 2.654 ( 6.891 -2.683 -4.289) 8.548 2.704 ( -0.513 1.860 -0.473) 1.987 2.800 ( -6.314 -5.438 -2.849) 8.807 2.948 ( 1.345 11.438 16.999) 20.533 3.141 ( 0.850 -5.216 12.881) 13.923 3.376 ( 0.117 4.220 10.783) 11.580 3.481 ( -0.480 -4.524 14.753) 15.439 3.762 ( 7.910 3.707 7.628) 11.597 3.904 ( 6.047 -9.339 4.236) 11.904 4.136 ( -6.720 9.983 2.082) 12.212 4.289 ( -3.292 -3.267 3.552) 5.842 4.587 ( -3.216 10.797 12.988) 17.193 4.737 ( -3.679 -4.450 10.047) 11.588 5.046 ( 5.718 0.224 -4.872) 7.516 5.081 ( 3.603 -3.061 -2.490) 5.344 5.230 ( -2.191 7.871 4.215) 9.194 5.390 ( -1.038 -7.819 -0.116) 7.889 5.777 ( 2.676 5.452 -12.137) 13.571 5.835 ( 1.738 0.260 -12.649) 12.770 6.399 ( -2.741 2.301 7.137) 7.984 6.475 ( -3.801 -4.715 5.692) 8.312 6.804 ( 1.196 1.257 3.816) 4.192 6.823 ( -0.591 -0.811 7.387) 7.455 7.427 ( -0.548 2.335 -1.270) 2.714 7.468 ( -4.633 -1.668 -4.014) 6.353 7.858 ( -2.851 3.549 5.049) 6.798 7.968 ( 3.409 -7.277 4.561) 9.240 8.237 ( 5.563 9.057 0.132) 10.630 8.430 ( 7.043 -8.885 2.529) 11.616 8.704 ( 0.685 6.090 -3.116) 6.875 8.815 ( 3.337 -3.581 0.122) 4.897 9.159 ( -4.026 4.022 2.469) 6.203 9.235 ( -5.416 -2.112 1.295) 5.956 9.590 ( 8.221 8.209 -6.149) 13.145 9.711 ( 7.015 -0.502 -5.075) 8.673 9.985 ( -5.747 3.553 7.883) 10.382 10.030 ( 3.010 -0.810 6.454) 7.168 10.606 ( -10.946 8.846 -6.662) 15.571 10.748 ( -14.545 -4.053 -10.453) 18.365 11.119 ( -5.279 4.089 5.097) 8.400 11.212 ( -5.401 -5.529 5.062) 9.239 11.581 ( 9.680 7.665 6.098) 13.772 11.673 ( 13.542 -0.722 4.355) 14.243 12.026 ( -10.095 0.255 3.280) 10.618 12.099 ( -7.773 -6.055 0.215) 9.856 12.884 ( -1.137 9.963 1.840) 10.195 13.092 ( 1.624 -10.147 0.570) 10.292 13.473 ( 5.610 8.715 -1.984) 10.553 13.532 ( -0.584 6.126 3.950) 7.313 13.766 ( -14.971 -5.089 3.728) 16.246 13.970 ( -4.808 -19.780 -2.717) 20.536 15.539 ( 5.092 7.314 4.669) 10.061 15.706 ( 4.156 -9.131 5.359) 11.374 16.033 ( 6.026 5.682 -6.476) 10.514 16.094 ( 0.531 -0.577 -7.938) 7.976 16.770 ( -3.349 6.701 21.093) 22.384 16.943 ( -1.383 -9.895 20.648) 22.938 17.759 ( 4.253 5.583 6.311) 9.438 17.932 ( 4.667 -11.268 3.387) 12.658 18.155 ( -7.245 7.217 -6.189) 11.953 18.295 ( -7.162 -5.880 -6.892) 11.549 19.345 ( 0.693 14.810 -9.644) 17.687 19.712 ( 3.273 -20.383 -18.705) 27.857 23.415 ( -2.583 17.725 12.976) 22.119 23.759 ( -1.188 -16.297 9.966) 19.140 24.656 ( 3.438 9.660 -22.276) 24.522 24.858 ( 4.258 -10.095 -21.317) 23.967 ======================= Grid point 158 (88/125) ======================= q-point: (-0.43 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -2.286 4.189 7.542) 8.925 1.900 ( -3.110 -5.444 7.764) 9.979 2.080 ( 0.491 3.328 1.013) 3.513 2.185 ( 2.629 -5.699 0.706) 6.316 2.566 ( -6.148 5.705 -3.035) 8.919 2.617 ( -5.975 0.576 -4.119) 7.280 2.699 ( 0.333 -1.149 -1.143) 1.655 2.780 ( 5.296 -6.301 -2.683) 8.657 3.014 ( -1.197 6.783 14.338) 15.906 3.165 ( -4.512 -6.191 13.900) 15.872 3.460 ( 2.819 5.383 11.911) 13.372 3.512 ( -1.418 -0.629 16.047) 16.122 3.872 ( -2.339 1.509 7.435) 7.939 4.003 ( 1.641 -7.840 3.666) 8.809 4.077 ( 2.716 9.939 0.099) 10.304 4.240 ( -1.564 -2.629 -1.182) 3.280 4.518 ( -8.553 10.543 15.053) 20.271 4.672 ( -6.517 -5.708 8.840) 12.378 5.006 ( -7.554 3.719 0.024) 8.420 5.097 ( -2.188 -4.765 0.858) 5.313 5.256 ( 3.353 6.853 1.357) 7.749 5.390 ( 1.726 -6.360 1.806) 6.833 5.762 ( 0.216 5.642 -12.130) 13.379 5.826 ( 2.271 0.199 -14.795) 14.969 6.309 ( -8.313 0.149 6.123) 10.326 6.366 ( -8.287 -4.919 5.499) 11.095 6.842 ( 0.306 2.465 7.926) 8.306 6.880 ( 1.188 -1.183 6.578) 6.788 7.395 ( 1.640 0.528 -3.764) 4.139 7.430 ( 1.613 -3.092 -4.188) 5.450 7.915 ( 5.218 8.415 6.382) 11.780 8.059 ( 4.467 -5.015 -2.474) 7.157 8.366 ( 6.687 8.607 4.315) 11.722 8.556 ( 4.698 -8.073 1.955) 9.543 8.691 ( -1.330 7.979 -2.584) 8.492 8.850 ( -0.445 -5.708 1.206) 5.851 9.090 ( -3.229 3.022 3.999) 5.962 9.143 ( -5.082 -1.519 -0.016) 5.304 9.644 ( -1.718 9.020 -3.307) 9.760 9.773 ( -1.376 -2.109 -0.367) 2.544 10.006 ( 9.197 11.391 4.383) 15.282 10.179 ( 9.374 -5.821 0.730) 11.058 10.391 ( -11.036 2.386 -5.032) 12.362 10.458 ( -10.046 -3.793 -9.282) 14.194 11.104 ( 2.979 4.623 4.604) 7.172 11.216 ( 4.356 -6.836 6.807) 10.585 11.731 ( 1.846 11.142 9.030) 14.460 11.878 ( -6.153 -0.421 3.460) 7.071 11.950 ( 13.036 0.629 1.701) 13.161 12.038 ( 2.999 -6.258 -3.632) 7.833 12.796 ( -5.908 7.778 4.238) 10.647 12.982 ( -8.285 -9.797 -0.289) 12.834 13.389 ( -10.706 8.317 1.420) 13.631 13.601 ( -5.286 -10.876 2.853) 12.425 13.797 ( 19.534 8.476 0.314) 21.296 14.058 ( 14.148 -16.036 -1.943) 21.473 15.622 ( 0.799 6.715 5.860) 8.948 15.752 ( -1.750 -5.910 5.305) 8.132 15.956 ( -8.220 5.992 -8.684) 13.375 16.059 ( -3.547 -3.639 -6.725) 8.429 16.778 ( -4.164 6.388 21.907) 23.197 16.967 ( -4.463 -11.720 21.086) 24.534 17.861 ( 1.921 8.029 9.552) 12.625 18.032 ( 5.326 -7.081 2.855) 9.309 18.094 ( 4.167 1.771 -7.798) 9.017 18.195 ( -0.173 -6.187 -8.914) 10.852 19.296 ( -1.650 15.883 -10.288) 18.995 19.671 ( -0.303 -20.344 -18.376) 27.416 23.429 ( -1.090 17.650 13.162) 22.045 23.772 ( -1.475 -16.292 10.210) 19.284 24.644 ( 4.063 10.281 -22.582) 25.143 24.855 ( 3.711 -10.375 -21.523) 24.179 ======================= Grid point 159 (89/125) ======================= q-point: (-0.29 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -0.148 4.898 8.028) 9.405 1.882 ( -1.664 -3.806 6.036) 7.327 2.102 ( -0.018 4.431 5.371) 6.963 2.207 ( -1.971 -1.824 -0.721) 2.781 2.409 ( -5.313 3.450 -3.722) 7.347 2.512 ( -3.200 -3.998 -5.177) 7.282 2.676 ( -4.222 2.541 0.384) 4.942 2.817 ( -0.100 -8.888 -3.630) 9.601 3.022 ( -1.837 1.133 7.426) 7.733 3.104 ( -5.028 -3.418 10.311) 11.970 3.498 ( -3.507 3.726 13.961) 14.869 3.550 ( -1.430 1.071 12.803) 12.927 3.800 ( -6.735 3.306 11.123) 13.417 3.988 ( -4.337 -9.283 5.955) 11.851 4.130 ( 0.971 6.069 -4.177) 7.431 4.200 ( -3.499 2.011 -4.140) 5.781 4.427 ( -5.722 10.615 13.455) 18.068 4.610 ( -1.762 -7.937 6.673) 10.518 4.851 ( -8.086 8.656 4.126) 12.543 5.020 ( -5.884 -7.212 4.522) 10.348 5.341 ( 4.357 6.887 2.483) 8.519 5.461 ( 3.504 -4.920 5.038) 7.865 5.707 ( -0.626 6.304 -13.182) 14.626 5.799 ( 0.938 -1.375 -15.087) 15.179 6.175 ( -7.254 0.457 4.434) 8.514 6.243 ( -6.368 -5.339 3.909) 9.183 6.847 ( -2.896 1.432 8.974) 9.538 6.870 ( -4.687 -0.887 8.778) 9.991 7.492 ( 8.672 0.006 -3.180) 9.237 7.521 ( 9.035 -3.180 -3.947) 10.360 8.031 ( 4.079 6.793 2.905) 8.439 8.102 ( 2.044 -0.318 -4.670) 5.107 8.483 ( 3.653 7.688 2.734) 8.940 8.568 ( -4.553 5.154 1.484) 7.035 8.675 ( 0.721 -0.797 -2.538) 2.756 8.795 ( -5.602 -6.541 2.924) 9.095 9.039 ( -2.280 2.759 -2.247) 4.226 9.108 ( 1.474 -4.097 0.498) 4.382 9.557 ( -4.763 6.681 -0.798) 8.244 9.672 ( -7.959 -2.491 3.040) 8.877 10.123 ( -9.208 4.932 3.988) 11.181 10.218 ( -5.365 -3.448 1.225) 6.494 10.351 ( 16.789 6.396 -1.142) 18.003 10.481 ( 14.396 -5.619 -1.169) 15.497 11.234 ( 7.015 7.100 2.595) 10.313 11.358 ( 4.899 -4.840 6.151) 9.234 11.748 ( 0.355 7.907 3.287) 8.570 11.860 ( 3.124 -1.828 5.467) 6.556 12.072 ( 1.650 2.291 -5.451) 6.139 12.148 ( 4.315 -3.612 -1.951) 5.956 12.726 ( -5.273 4.220 6.539) 9.401 12.849 ( -8.127 -7.019 4.174) 11.521 13.267 ( 2.807 13.435 0.213) 13.727 13.604 ( 6.320 -18.287 2.882) 19.562 14.174 ( 19.874 7.140 -0.459) 21.123 14.361 ( 16.353 -11.098 -0.800) 19.779 15.545 ( -11.714 11.997 0.883) 16.791 15.686 ( -6.680 -1.798 3.141) 7.597 15.764 ( -7.686 1.230 -3.261) 8.440 15.885 ( -11.898 -9.868 -6.552) 16.788 16.778 ( -4.308 4.972 22.011) 22.973 16.941 ( -6.052 -10.289 21.421) 24.523 17.885 ( -1.637 8.743 5.930) 10.691 18.089 ( -2.979 -10.365 2.535) 11.078 18.235 ( 13.771 0.500 -4.366) 14.455 18.272 ( 11.412 -2.699 -8.544) 14.509 19.226 ( -1.250 15.522 -10.721) 18.906 19.573 ( -3.082 -18.376 -17.012) 25.231 23.463 ( -0.597 15.967 12.849) 20.503 23.775 ( -2.330 -14.905 10.261) 18.245 24.646 ( 5.011 9.575 -22.716) 25.156 24.843 ( 3.531 -9.746 -21.697) 24.046 ======================= Grid point 160 (90/125) ======================= q-point: (-0.14 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -0.001 5.720 7.203) 9.198 1.872 ( -1.309 1.092 4.903) 5.191 2.055 ( -6.567 6.399 1.763) 9.337 2.161 ( -1.004 1.372 2.814) 3.288 2.339 ( -2.013 0.477 -4.973) 5.387 2.459 ( -2.946 -4.529 -1.152) 5.525 2.618 ( 0.819 0.194 1.668) 1.868 2.764 ( -3.893 -12.806 -0.405) 13.390 3.009 ( -0.045 1.723 0.156) 1.730 3.089 ( 0.091 -4.613 2.595) 5.294 3.449 ( -7.113 7.329 15.064) 18.200 3.537 ( -3.814 -1.288 9.709) 10.511 3.715 ( -6.886 1.079 11.891) 13.783 3.900 ( -7.771 -12.429 7.885) 16.644 4.069 ( -3.980 4.878 -2.973) 6.962 4.110 ( -3.416 1.236 -1.961) 4.128 4.420 ( 0.707 13.503 8.277) 15.853 4.627 ( 0.581 -5.147 2.770) 5.874 4.768 ( -3.250 8.513 7.065) 11.530 4.930 ( -5.560 -6.582 5.168) 10.047 5.418 ( 2.336 6.177 2.735) 7.148 5.503 ( -1.859 -1.182 3.099) 3.802 5.688 ( 4.462 3.949 -11.217) 12.702 5.776 ( 2.730 -2.384 -12.574) 13.086 6.088 ( -3.520 1.578 5.012) 6.325 6.163 ( -3.379 -4.934 3.529) 6.944 6.798 ( -4.720 1.664 7.556) 9.064 6.835 ( -1.789 -2.263 7.657) 8.183 7.631 ( 5.752 1.051 -2.879) 6.517 7.674 ( 7.121 -3.577 -3.173) 8.577 8.068 ( 0.035 5.065 0.326) 5.076 8.129 ( 1.269 -0.205 0.481) 1.372 8.479 ( -4.056 6.088 -0.403) 7.326 8.514 ( -1.457 3.364 -0.754) 3.743 8.595 ( -5.909 5.253 -0.087) 7.907 8.742 ( -1.827 -7.242 0.205) 7.471 9.030 ( 2.297 2.311 -2.161) 3.909 9.139 ( 1.619 -7.582 -2.537) 8.158 9.497 ( -1.439 3.666 -1.364) 4.167 9.561 ( -4.106 -1.760 1.567) 4.734 10.002 ( -5.117 6.942 12.355) 15.067 10.140 ( -3.917 -5.875 10.828) 12.927 10.705 ( 17.664 5.800 2.882) 18.814 10.779 ( 16.125 -1.729 0.327) 16.221 11.306 ( -0.147 6.688 -0.494) 6.708 11.376 ( -3.478 0.336 1.487) 3.797 11.846 ( 6.995 7.940 3.139) 11.038 11.964 ( -1.041 4.595 6.376) 7.928 12.033 ( 0.404 -5.638 -6.930) 8.943 12.110 ( -4.072 -4.819 -4.965) 8.029 12.605 ( -8.121 2.989 1.859) 8.851 12.687 ( -8.285 -4.047 1.835) 9.401 13.546 ( 21.110 11.735 5.464) 24.763 13.836 ( 13.010 -15.688 6.760) 21.473 14.505 ( 14.911 3.947 -2.221) 15.584 14.601 ( 7.849 -5.732 -0.126) 9.720 15.288 ( -11.654 13.550 -1.113) 17.907 15.535 ( -8.150 0.533 -0.508) 8.184 15.605 ( -13.998 -11.808 -2.860) 18.535 15.634 ( -6.894 -5.444 -2.039) 9.018 16.778 ( -4.251 4.347 21.595) 22.435 16.907 ( -5.777 -7.470 20.976) 23.004 17.854 ( -2.688 5.225 0.512) 5.898 17.997 ( -6.346 -8.274 -2.450) 10.712 18.481 ( 11.265 0.828 -1.621) 11.411 18.506 ( 14.247 -1.920 1.417) 14.445 19.182 ( 1.246 11.729 -12.784) 17.394 19.449 ( -2.770 -14.512 -15.831) 21.654 23.492 ( -1.367 13.671 12.286) 18.431 23.761 ( -2.961 -12.959 10.165) 16.734 24.663 ( 5.512 7.963 -22.601) 24.588 24.831 ( 3.760 -8.546 -21.739) 23.659 ======================= Grid point 189 (91/125) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 12.746 0.000 15.089) 19.752 1.497 ( -11.559 0.000 -8.457) 14.323 1.813 ( -0.343 0.000 29.012) 29.014 2.285 ( -3.400 0.000 -6.663) 7.481 2.306 ( 2.101 0.000 1.338) 2.491 2.365 ( -0.027 0.000 -17.333) 17.333 2.875 ( 6.033 0.000 2.407) 6.496 2.883 ( -10.728 0.000 2.411) 10.995 3.156 ( 0.266 0.000 9.088) 9.092 3.248 ( 2.231 0.000 -4.990) 5.466 3.487 ( 4.742 0.000 32.224) 32.571 4.023 ( -6.793 0.000 -10.348) 12.379 4.029 ( -1.741 0.000 3.114) 3.568 4.077 ( 0.559 0.000 -11.428) 11.441 4.253 ( -5.111 0.000 17.086) 17.834 4.321 ( -4.901 0.000 17.393) 18.070 4.512 ( 2.836 0.000 10.526) 10.901 4.537 ( 6.530 0.000 -12.504) 14.107 4.655 ( -1.798 0.000 31.059) 31.111 4.687 ( 6.372 0.000 -21.111) 22.051 4.802 ( -9.396 0.000 -21.368) 23.343 5.179 ( 3.230 0.000 -22.239) 22.472 5.521 ( 12.427 0.000 0.488) 12.436 5.522 ( -9.970 0.000 0.522) 9.984 6.175 ( 1.456 0.000 10.203) 10.307 6.310 ( 0.034 0.000 -4.333) 4.334 6.811 ( 0.548 0.000 7.304) 7.324 6.961 ( 3.553 0.000 -8.213) 8.948 7.473 ( -1.956 0.000 7.548) 7.797 7.652 ( 1.878 0.000 -11.208) 11.364 7.813 ( 7.171 0.000 -0.754) 7.210 7.824 ( -8.151 0.000 -2.017) 8.397 8.101 ( -3.807 0.000 0.170) 3.810 8.107 ( 3.010 0.000 -0.628) 3.075 8.634 ( 2.551 0.000 8.353) 8.734 8.781 ( -4.315 0.000 -7.437) 8.598 9.096 ( -7.738 0.000 13.263) 15.355 9.267 ( 8.361 0.000 -6.105) 10.352 9.411 ( 4.105 0.000 7.989) 8.982 9.597 ( 8.555 0.000 3.510) 9.247 9.668 ( -5.981 0.000 -3.678) 7.021 9.672 ( -0.586 0.000 -18.337) 18.346 10.570 ( -0.299 0.000 9.804) 9.809 10.759 ( -6.062 0.000 -10.181) 11.849 11.053 ( -6.548 0.000 6.596) 9.295 11.128 ( 3.733 0.000 -1.984) 4.227 11.534 ( -2.075 0.000 12.474) 12.646 11.759 ( 2.721 0.000 -9.306) 9.696 12.313 ( 2.856 0.000 4.266) 5.134 12.426 ( -1.240 0.000 -6.000) 6.126 12.889 ( -7.644 0.000 2.176) 7.948 12.919 ( -1.984 0.000 0.657) 2.090 13.052 ( -10.920 0.000 5.274) 12.126 13.161 ( 10.916 0.000 -4.446) 11.786 14.756 ( 9.996 0.000 2.967) 10.427 14.788 ( -2.114 0.000 0.200) 2.123 15.343 ( 7.013 0.000 4.092) 8.119 15.445 ( -8.159 0.000 -7.070) 10.796 15.700 ( -3.128 0.000 15.025) 15.347 15.978 ( 2.250 0.000 -14.393) 14.567 17.227 ( -11.046 0.000 17.132) 20.384 17.470 ( 10.330 0.000 -6.720) 12.323 18.110 ( -5.660 0.000 -1.357) 5.821 18.179 ( 5.590 0.000 -7.319) 9.210 18.831 ( -12.081 0.000 6.229) 13.592 18.912 ( 3.955 0.000 -3.099) 5.025 19.373 ( 8.269 0.000 26.237) 27.509 19.923 ( 0.370 0.000 -31.400) 31.402 23.440 ( -8.324 0.000 27.306) 28.547 23.918 ( 8.198 0.000 -23.496) 24.885 24.538 ( -0.603 0.000 14.493) 14.506 24.861 ( 2.037 0.000 -19.419) 19.526 ======================= Grid point 190 (92/125) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 0.551 0.000 -6.844) 6.866 1.645 ( 19.581 0.000 10.410) 22.176 1.934 ( 2.599 0.000 23.466) 23.610 2.203 ( -5.842 0.000 6.767) 8.940 2.304 ( 2.638 0.000 -25.600) 25.736 2.379 ( 4.850 0.000 2.926) 5.665 2.718 ( -6.315 0.000 -2.292) 6.718 2.935 ( -1.653 0.000 8.015) 8.184 3.245 ( 5.497 0.000 4.500) 7.104 3.304 ( 3.173 0.000 -6.367) 7.114 3.709 ( 4.710 0.000 35.989) 36.296 3.835 ( -2.473 0.000 -19.882) 20.035 3.961 ( -5.171 0.000 4.433) 6.811 4.048 ( -3.179 0.000 -3.719) 4.893 4.167 ( -9.981 0.000 12.244) 15.797 4.282 ( -3.452 0.000 18.498) 18.817 4.555 ( -2.244 0.000 -11.447) 11.665 4.567 ( -6.724 0.000 29.764) 30.514 4.683 ( 7.261 0.000 -20.802) 22.033 4.750 ( 8.159 0.000 -19.849) 21.461 4.808 ( 5.619 0.000 19.101) 19.910 5.151 ( 2.988 0.000 -23.773) 23.960 5.363 ( -5.720 0.000 -0.046) 5.720 5.731 ( 8.887 0.000 -2.592) 9.257 6.276 ( 5.427 0.000 8.139) 9.782 6.331 ( 4.678 0.000 -6.774) 8.232 6.870 ( 2.951 0.000 5.100) 5.892 7.002 ( 4.813 0.000 -12.352) 13.257 7.465 ( -1.765 0.000 7.139) 7.354 7.624 ( -12.059 0.000 0.376) 12.065 7.632 ( -0.263 0.000 -8.887) 8.891 7.911 ( 3.197 0.000 -0.701) 3.273 8.010 ( -5.418 0.000 1.412) 5.599 8.157 ( 2.012 0.000 -0.386) 2.048 8.590 ( -9.932 0.000 11.523) 15.212 8.636 ( -6.253 0.000 -8.285) 10.380 9.081 ( 1.799 0.000 8.275) 8.469 9.386 ( -7.196 0.000 -0.956) 7.259 9.386 ( -4.318 0.000 -1.734) 4.653 9.585 ( 2.514 0.000 2.088) 3.268 9.598 ( 2.457 0.000 -24.146) 24.270 9.725 ( 3.283 0.000 0.341) 3.301 10.334 ( -18.570 0.000 21.565) 28.459 10.437 ( -17.169 0.000 -5.783) 18.116 11.164 ( 5.391 0.000 3.360) 6.352 11.301 ( 9.273 0.000 0.703) 9.300 11.579 ( 2.268 0.000 14.607) 14.782 11.794 ( 4.927 0.000 -11.631) 12.632 12.364 ( -3.087 0.000 -5.903) 6.661 12.392 ( 2.376 0.000 3.953) 4.612 12.812 ( -1.173 0.000 4.315) 4.472 12.813 ( -3.457 0.000 10.765) 11.306 13.138 ( 10.830 0.000 -2.664) 11.152 13.357 ( 9.340 0.000 3.815) 10.089 14.820 ( 7.463 0.000 -11.067) 13.349 14.902 ( 4.673 0.000 -1.297) 4.850 15.263 ( -6.860 0.000 -2.435) 7.279 15.439 ( -1.557 0.000 5.104) 5.336 15.760 ( 5.879 0.000 14.079) 15.257 15.969 ( 1.618 0.000 -14.254) 14.345 17.083 ( -9.953 0.000 16.855) 19.575 17.636 ( 9.529 0.000 -7.701) 12.252 17.978 ( -7.214 0.000 0.885) 7.269 18.226 ( 0.526 0.000 -5.858) 5.882 18.586 ( -15.655 0.000 8.958) 18.037 18.844 ( -8.739 0.000 2.396) 9.061 19.624 ( 7.095 0.000 21.737) 22.866 19.912 ( 10.951 0.000 -35.286) 36.946 23.289 ( -16.726 0.000 29.272) 33.713 23.914 ( 0.979 0.000 -25.912) 25.930 24.606 ( 1.612 0.000 12.655) 12.758 24.855 ( 4.849 0.000 -18.835) 19.449 ======================= Grid point 191 (93/125) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 9.474 0.000 0.602) 9.493 2.021 ( 13.163 0.000 8.806) 15.837 2.075 ( 4.696 0.000 15.547) 16.241 2.099 ( -4.984 0.000 4.941) 7.019 2.312 ( 7.688 0.000 -20.620) 22.007 2.504 ( 6.842 0.000 3.713) 7.784 2.636 ( -0.727 0.000 -7.082) 7.119 2.854 ( -10.586 0.000 9.016) 13.905 3.242 ( -6.821 0.000 -6.589) 9.484 3.319 ( -0.438 0.000 -0.815) 0.925 3.835 ( 7.909 0.000 -15.375) 17.290 3.857 ( 1.429 0.000 12.648) 12.728 3.947 ( -4.200 0.000 28.043) 28.356 4.007 ( 2.850 0.000 -4.683) 5.482 4.012 ( -9.662 0.000 16.781) 19.364 4.331 ( 1.081 0.000 18.947) 18.978 4.473 ( 0.561 0.000 -20.778) 20.786 4.519 ( -9.995 0.000 33.709) 35.160 4.781 ( 8.218 0.000 -14.666) 16.812 4.825 ( 6.539 0.000 -17.139) 18.344 4.895 ( -2.697 0.000 13.594) 13.859 5.125 ( 4.013 0.000 -26.014) 26.321 5.338 ( 1.656 0.000 5.047) 5.311 5.800 ( 0.216 0.000 -5.933) 5.937 6.415 ( 5.539 0.000 6.903) 8.851 6.438 ( 8.757 0.000 -7.189) 11.330 6.949 ( 3.431 0.000 4.065) 5.320 7.048 ( 3.928 0.000 -9.809) 10.566 7.400 ( -10.216 0.000 3.590) 10.829 7.473 ( -0.536 0.000 5.257) 5.284 7.559 ( -5.060 0.000 -5.827) 7.718 7.885 ( -3.687 0.000 -2.523) 4.468 7.984 ( 1.371 0.000 1.582) 2.093 8.165 ( -1.108 0.000 -1.869) 2.173 8.440 ( -8.638 0.000 11.610) 14.471 8.525 ( -2.039 0.000 -8.602) 8.840 9.090 ( -11.774 0.000 0.231) 11.777 9.176 ( -0.474 0.000 12.050) 12.059 9.250 ( -10.795 0.000 -13.227) 17.073 9.584 ( -5.190 0.000 -1.187) 5.324 9.585 ( 2.540 0.000 -18.348) 18.523 9.643 ( -7.447 0.000 -10.919) 13.217 10.241 ( -0.098 0.000 28.369) 28.369 10.340 ( 6.615 0.000 7.437) 9.953 11.169 ( -4.770 0.000 1.941) 5.150 11.380 ( -0.101 0.000 -6.905) 6.906 11.703 ( 4.065 0.000 13.041) 13.659 11.850 ( 4.101 0.000 -6.378) 7.582 12.293 ( -2.125 0.000 -1.888) 2.843 12.404 ( -1.746 0.000 2.113) 2.741 12.864 ( 3.312 0.000 6.734) 7.505 12.875 ( 5.666 0.000 3.524) 6.673 13.355 ( 12.817 0.000 -3.230) 13.218 13.512 ( 4.154 0.000 8.802) 9.733 14.856 ( 0.310 0.000 -20.021) 20.024 14.903 ( -5.471 0.000 1.799) 5.759 15.333 ( 15.294 0.000 4.241) 15.871 15.381 ( -3.953 0.000 8.357) 9.245 15.916 ( -2.024 0.000 -14.363) 14.505 15.942 ( 6.294 0.000 6.134) 8.789 17.022 ( -2.687 0.000 21.116) 21.286 17.750 ( 6.443 0.000 -13.052) 14.555 17.885 ( -4.723 0.000 10.442) 11.461 18.131 ( -8.090 0.000 -2.996) 8.627 18.334 ( -12.968 0.000 5.539) 14.102 18.696 ( -6.478 0.000 -1.545) 6.659 19.767 ( -0.016 0.000 19.848) 19.848 20.022 ( 12.742 0.000 -32.465) 34.876 23.090 ( -15.549 0.000 33.057) 36.532 23.794 ( -1.596 0.000 -30.818) 30.860 24.669 ( 0.259 0.000 11.033) 11.036 24.894 ( 5.893 0.000 -17.262) 18.240 ======================= Grid point 192 (94/125) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 7.618 0.000 9.171) 11.922 1.919 ( -11.224 0.000 5.357) 12.437 2.207 ( 4.607 0.000 6.830) 8.238 2.299 ( 10.299 0.000 -6.467) 12.161 2.457 ( 12.588 0.000 -4.693) 13.434 2.559 ( -10.666 0.000 7.428) 12.998 2.636 ( 3.570 0.000 -7.472) 8.281 2.700 ( -1.009 0.000 -0.389) 1.082 3.080 ( -5.676 0.000 -1.113) 5.784 3.214 ( -8.337 0.000 -3.657) 9.104 3.800 ( -14.981 0.000 21.595) 26.282 3.936 ( 7.080 0.000 -9.681) 11.994 3.946 ( 2.612 0.000 12.433) 12.705 4.030 ( -2.933 0.000 22.205) 22.398 4.125 ( 8.435 0.000 -4.152) 9.401 4.415 ( -1.324 0.000 20.508) 20.551 4.440 ( 6.256 0.000 -27.222) 27.931 4.461 ( -9.009 0.000 35.760) 36.877 4.826 ( 3.318 0.000 -20.160) 20.431 4.859 ( -4.465 0.000 9.049) 10.090 4.898 ( 6.308 0.000 -8.168) 10.320 5.107 ( 4.221 0.000 -27.272) 27.597 5.426 ( 4.626 0.000 8.691) 9.845 5.724 ( -4.637 0.000 -8.630) 9.797 6.491 ( -0.997 0.000 7.002) 7.072 6.562 ( 5.891 0.000 -5.752) 8.233 7.002 ( -1.107 0.000 6.615) 6.707 7.031 ( -5.736 0.000 8.757) 10.468 7.316 ( 2.614 0.000 -5.465) 6.058 7.440 ( -2.798 0.000 -7.644) 8.140 7.526 ( 4.443 0.000 4.891) 6.608 7.791 ( -4.992 0.000 -6.268) 8.013 8.031 ( 2.627 0.000 1.500) 3.025 8.097 ( -5.602 0.000 2.026) 5.957 8.395 ( 0.830 0.000 3.280) 3.383 8.489 ( 1.600 0.000 -9.216) 9.354 8.885 ( -9.641 0.000 4.493) 10.636 9.025 ( -4.396 0.000 -14.092) 14.761 9.222 ( -1.892 0.000 15.569) 15.684 9.439 ( -7.099 0.000 0.261) 7.104 9.508 ( -2.300 0.000 -8.386) 8.696 9.555 ( 1.162 0.000 -16.025) 16.067 10.468 ( 11.711 0.000 22.731) 25.571 10.562 ( 10.508 0.000 8.433) 13.473 11.030 ( -10.256 0.000 2.010) 10.451 11.283 ( -3.676 0.000 -17.416) 17.800 11.800 ( 1.712 0.000 10.012) 10.157 11.879 ( -0.211 0.000 0.154) 0.261 12.290 ( 2.360 0.000 -0.850) 2.508 12.367 ( -1.981 0.000 -1.064) 2.248 12.938 ( 0.949 0.000 7.291) 7.352 13.000 ( 6.221 0.000 -1.324) 6.360 13.562 ( -2.348 0.000 7.492) 7.852 13.570 ( 10.877 0.000 -4.739) 11.865 14.720 ( -14.131 0.000 8.340) 16.409 14.800 ( 2.596 0.000 -13.973) 14.212 15.407 ( 2.559 0.000 10.326) 10.638 15.684 ( 14.818 0.000 -2.829) 15.085 15.803 ( -1.501 0.000 -10.657) 10.763 15.967 ( -5.007 0.000 -1.386) 5.195 17.161 ( 7.261 0.000 26.962) 27.922 17.757 ( -8.602 0.000 -5.020) 9.960 17.842 ( 3.566 0.000 -0.638) 3.623 17.966 ( -6.843 0.000 -1.685) 7.047 18.230 ( 0.702 0.000 8.555) 8.583 18.569 ( -5.726 0.000 -8.275) 10.063 19.775 ( -6.371 0.000 18.913) 19.958 20.128 ( 10.096 0.000 -28.206) 29.959 22.972 ( -10.201 0.000 36.324) 37.729 23.669 ( 1.494 0.000 -33.282) 33.315 24.695 ( -1.622 0.000 10.194) 10.322 24.936 ( 4.925 0.000 -16.533) 17.251 ======================= Grid point 193 (95/125) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -14.798 0.000 2.696) 15.042 1.769 ( -0.685 0.000 18.716) 18.728 2.287 ( 3.260 0.000 -4.899) 5.885 2.338 ( -11.487 0.000 6.491) 13.195 2.392 ( 3.931 0.000 -11.554) 12.204 2.602 ( -8.907 0.000 -2.139) 9.160 2.647 ( 1.097 0.000 3.149) 3.335 2.749 ( 15.728 0.000 -8.385) 17.824 3.062 ( -4.748 0.000 1.409) 4.952 3.128 ( 7.660 0.000 5.183) 9.248 3.580 ( -18.193 0.000 28.887) 34.138 3.978 ( -5.516 0.000 13.435) 14.523 4.001 ( 1.308 0.000 -5.106) 5.270 4.067 ( 2.713 0.000 7.358) 7.842 4.212 ( 5.512 0.000 -11.467) 12.723 4.415 ( -6.986 0.000 27.094) 27.980 4.465 ( -4.354 0.000 32.849) 33.136 4.519 ( 10.390 0.000 -27.339) 29.247 4.788 ( 0.371 0.000 -19.119) 19.123 4.795 ( -5.746 0.000 6.148) 8.416 4.985 ( 6.428 0.000 -8.466) 10.629 5.086 ( 4.042 0.000 -24.640) 24.969 5.561 ( 5.758 0.000 9.079) 10.751 5.589 ( -5.832 0.000 -9.453) 11.108 6.426 ( -8.224 0.000 8.416) 11.767 6.585 ( -2.247 0.000 -3.491) 4.152 6.946 ( -6.493 0.000 9.670) 11.648 6.959 ( -5.563 0.000 14.325) 15.368 7.397 ( 6.103 0.000 -3.450) 7.011 7.435 ( 4.820 0.000 -10.635) 11.676 7.673 ( 8.694 0.000 4.125) 9.623 7.677 ( -2.856 0.000 -9.774) 10.183 8.014 ( -3.041 0.000 3.125) 4.360 8.077 ( 1.458 0.000 3.412) 3.710 8.445 ( 2.604 0.000 -4.240) 4.976 8.533 ( 7.221 0.000 -11.647) 13.704 8.794 ( -0.813 0.000 10.339) 10.370 9.009 ( 5.871 0.000 -8.366) 10.221 9.205 ( -5.136 0.000 19.444) 20.111 9.394 ( 0.930 0.000 3.771) 3.884 9.442 ( -2.876 0.000 -7.081) 7.643 9.569 ( 6.636 0.000 -12.873) 14.483 10.695 ( -2.114 0.000 -2.345) 3.157 10.704 ( 1.949 0.000 -1.418) 2.411 10.900 ( 2.222 0.000 19.489) 19.615 11.202 ( 3.534 0.000 -17.161) 17.521 11.835 ( -1.669 0.000 7.004) 7.200 11.841 ( -4.410 0.000 4.246) 6.121 12.337 ( 0.329 0.000 -5.026) 5.036 12.358 ( 4.555 0.000 -0.795) 4.624 12.942 ( -2.533 0.000 4.487) 5.153 13.066 ( 1.475 0.000 -5.838) 6.021 13.475 ( -9.040 0.000 5.390) 10.525 13.697 ( 4.370 0.000 -6.693) 7.993 14.523 ( -9.599 0.000 15.099) 17.892 14.858 ( 6.211 0.000 -6.596) 9.060 15.515 ( 3.342 0.000 12.545) 12.983 15.618 ( -4.391 0.000 -11.817) 12.606 15.765 ( -14.132 0.000 -4.955) 14.976 15.994 ( 10.631 0.000 -3.668) 11.246 17.384 ( 2.269 0.000 26.564) 26.661 17.508 ( -12.067 0.000 -7.197) 14.050 17.942 ( 7.472 0.000 -3.350) 8.188 17.964 ( 8.639 0.000 -3.643) 9.376 18.366 ( 8.071 0.000 12.219) 14.644 18.425 ( -5.015 0.000 -10.780) 11.889 19.677 ( -11.342 0.000 19.388) 22.462 20.188 ( 6.456 0.000 -24.936) 25.758 22.982 ( -3.288 0.000 39.171) 39.309 23.624 ( 6.660 0.000 -32.434) 33.111 24.682 ( -3.716 0.000 9.852) 10.530 24.954 ( 3.423 0.000 -16.668) 17.015 ======================= Grid point 194 (96/125) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -18.064 0.000 5.659) 18.930 1.759 ( -7.637 0.000 26.270) 27.358 2.131 ( -15.040 0.000 0.975) 15.071 2.288 ( 1.063 0.000 -9.200) 9.262 2.393 ( 2.165 0.000 -16.246) 16.390 2.542 ( 4.260 0.000 3.222) 5.341 2.570 ( -6.481 0.000 -3.120) 7.193 3.027 ( 10.774 0.000 -3.217) 11.244 3.090 ( 5.592 0.000 7.978) 9.743 3.276 ( 4.363 0.000 3.061) 5.330 3.355 ( -16.559 0.000 33.007) 36.928 3.911 ( -3.222 0.000 5.422) 6.307 3.959 ( -1.726 0.000 -3.637) 4.026 4.156 ( 2.791 0.000 11.140) 11.484 4.293 ( 6.948 0.000 -13.024) 14.761 4.364 ( -8.558 0.000 25.660) 27.050 4.523 ( -2.748 0.000 33.395) 33.508 4.542 ( 2.039 0.000 -28.090) 28.164 4.688 ( -7.645 0.000 5.099) 9.190 4.704 ( -0.370 0.000 -20.787) 20.791 5.082 ( 7.812 0.000 -22.886) 24.183 5.102 ( 6.170 0.000 -8.802) 10.749 5.434 ( -7.902 0.000 -6.773) 10.407 5.677 ( 2.411 0.000 7.715) 8.083 6.279 ( -10.034 0.000 9.360) 13.722 6.472 ( -7.306 0.000 -0.738) 7.344 6.866 ( -5.591 0.000 8.283) 9.993 6.928 ( -2.177 0.000 7.851) 8.147 7.474 ( 1.404 0.000 3.565) 3.831 7.516 ( 7.470 0.000 -7.179) 10.360 7.636 ( 2.151 0.000 -11.079) 11.286 7.831 ( 5.928 0.000 2.818) 6.564 8.031 ( 3.997 0.000 -3.141) 5.084 8.120 ( 1.663 0.000 2.860) 3.308 8.441 ( -0.252 0.000 0.419) 0.489 8.655 ( 9.789 0.000 -11.842) 15.364 8.963 ( 10.758 0.000 15.709) 19.040 9.143 ( 10.078 0.000 -4.553) 11.059 9.240 ( 2.147 0.000 18.439) 18.564 9.351 ( -3.481 0.000 -6.791) 7.632 9.455 ( 3.477 0.000 7.919) 8.649 9.671 ( 7.148 0.000 -9.981) 12.276 10.488 ( -10.722 0.000 -6.854) 12.726 10.680 ( 1.731 0.000 -16.172) 16.265 11.134 ( 8.495 0.000 17.326) 19.297 11.245 ( 3.292 0.000 -8.621) 9.229 11.771 ( -7.809 0.000 4.574) 9.049 11.772 ( -3.762 0.000 5.494) 6.659 12.331 ( 0.316 0.000 -6.105) 6.113 12.433 ( 3.369 0.000 -1.182) 3.571 12.911 ( -0.033 0.000 -0.377) 0.379 13.005 ( -4.393 0.000 -8.001) 9.128 13.290 ( -11.731 0.000 3.801) 12.331 13.681 ( -3.684 0.000 -9.300) 10.003 14.479 ( -2.855 0.000 19.709) 19.915 14.914 ( -0.259 0.000 0.265) 0.371 15.422 ( -14.067 0.000 -5.634) 15.153 15.555 ( 1.879 0.000 -9.848) 10.025 15.641 ( 0.986 0.000 14.354) 14.388 16.081 ( 1.155 0.000 -8.312) 8.392 17.324 ( -3.207 0.000 -9.104) 9.652 17.412 ( -6.222 0.000 20.818) 21.728 18.105 ( 6.485 0.000 -1.185) 6.592 18.116 ( 6.001 0.000 -11.110) 12.627 18.414 ( 11.526 0.000 -3.039) 11.920 18.592 ( 11.575 0.000 9.616) 15.048 19.499 ( -15.279 0.000 21.809) 26.629 20.179 ( 1.769 0.000 -23.848) 23.913 23.133 ( 3.675 0.000 39.455) 39.626 23.680 ( 11.098 0.000 -29.454) 31.475 24.628 ( -5.893 0.000 10.427) 11.977 24.942 ( 1.990 0.000 -17.324) 17.438 ======================= Grid point 195 (97/125) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -7.104 0.000 13.125) 14.925 1.730 ( -5.446 0.000 20.003) 20.731 1.819 ( -16.053 0.000 4.823) 16.762 2.284 ( 0.570 0.000 -1.623) 1.720 2.362 ( 0.905 0.000 -18.336) 18.359 2.441 ( -4.651 0.000 -5.520) 7.218 2.705 ( 10.488 0.000 -0.056) 10.488 3.056 ( -6.774 0.000 3.259) 7.518 3.161 ( -3.952 0.000 13.976) 14.524 3.282 ( -2.772 0.000 -1.711) 3.258 3.317 ( 1.977 0.000 22.829) 22.915 3.960 ( 5.405 0.000 6.641) 8.562 3.977 ( 4.336 0.000 -0.944) 4.438 4.248 ( 2.045 0.000 13.799) 13.950 4.277 ( -6.399 0.000 -15.104) 16.404 4.297 ( -7.184 0.000 22.601) 23.715 4.475 ( 5.715 0.000 -24.113) 24.781 4.558 ( -7.536 0.000 4.568) 8.812 4.593 ( -3.100 0.000 33.386) 33.530 4.666 ( 4.208 0.000 -22.041) 22.439 5.053 ( -4.617 0.000 -22.223) 22.698 5.189 ( 4.173 0.000 -19.119) 19.569 5.328 ( 3.887 0.000 3.770) 5.415 5.674 ( -5.587 0.000 4.006) 6.875 6.164 ( -4.921 0.000 10.409) 11.514 6.357 ( -4.012 0.000 -1.492) 4.280 6.808 ( -3.306 0.000 8.266) 8.902 6.932 ( 1.111 0.000 -0.708) 1.317 7.483 ( -1.802 0.000 6.912) 7.143 7.644 ( 4.096 0.000 -9.824) 10.644 7.664 ( 8.191 0.000 -5.201) 9.703 7.905 ( 0.582 0.000 -0.123) 0.595 8.072 ( 1.882 0.000 -5.147) 5.480 8.141 ( -0.635 0.000 1.269) 1.419 8.505 ( 5.749 0.000 6.104) 8.385 8.785 ( 6.886 0.000 -9.193) 11.486 9.145 ( -1.134 0.000 23.812) 23.839 9.222 ( -0.378 0.000 -7.342) 7.352 9.333 ( 2.022 0.000 1.380) 2.448 9.395 ( 10.959 0.000 -0.001) 10.959 9.643 ( 9.346 0.000 9.390) 13.248 9.720 ( 2.093 0.000 -12.284) 12.461 10.380 ( 4.446 0.000 0.550) 4.480 10.714 ( 8.663 0.000 -17.727) 19.730 11.208 ( -4.993 0.000 -2.602) 5.630 11.248 ( -4.350 0.000 7.559) 8.721 11.595 ( -10.498 0.000 8.143) 13.286 11.753 ( 0.339 0.000 -1.596) 1.632 12.296 ( -1.632 0.000 -0.749) 1.796 12.459 ( -0.144 0.000 -2.393) 2.397 12.912 ( -0.964 0.000 -6.343) 6.415 12.969 ( 5.981 0.000 -5.810) 8.338 13.090 ( -9.163 0.000 2.560) 9.514 13.426 ( -20.556 0.000 -4.469) 21.036 14.560 ( 5.398 0.000 15.163) 16.095 14.860 ( -5.091 0.000 3.209) 6.018 15.260 ( -0.693 0.000 -1.013) 1.228 15.558 ( -0.375 0.000 -7.587) 7.596 15.694 ( -1.451 0.000 14.888) 14.959 16.020 ( -1.483 0.000 -13.209) 13.292 17.330 ( 6.424 0.000 -7.772) 10.083 17.347 ( -8.565 0.000 19.157) 20.985 18.123 ( 3.029 0.000 -10.945) 11.356 18.169 ( 0.140 0.000 -0.348) 0.375 18.716 ( 16.963 0.000 -5.077) 17.707 18.845 ( 10.447 0.000 2.745) 10.801 19.299 ( -13.284 0.000 28.597) 31.532 20.073 ( -3.096 0.000 -25.731) 25.917 23.360 ( 4.072 0.000 33.399) 33.646 23.805 ( 12.321 0.000 -25.706) 28.506 24.552 ( -5.892 0.000 12.807) 14.098 24.905 ( 1.110 0.000 -18.392) 18.426 ======================= Grid point 196 (98/125) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 10.941 3.911 14.568) 18.634 1.536 ( -10.406 3.530 -8.660) 13.991 1.869 ( -0.057 4.742 24.220) 24.680 2.263 ( 0.870 0.273 -8.329) 8.379 2.313 ( -2.970 -1.072 1.935) 3.703 2.375 ( 1.210 -0.226 -12.280) 12.342 2.901 ( 1.667 2.011 3.206) 4.135 2.925 ( -6.645 3.660 1.916) 7.824 3.198 ( 0.369 4.318 8.398) 9.450 3.311 ( 2.668 5.364 -5.851) 8.374 3.527 ( 2.439 3.941 29.697) 30.056 3.864 ( -0.407 -13.411 2.731) 13.692 3.883 ( -0.437 -13.087 1.595) 13.191 4.010 ( -6.808 -3.975 -14.351) 16.374 4.251 ( -4.034 -2.611 8.054) 9.379 4.314 ( 0.130 -6.743 3.385) 7.546 4.409 ( 3.511 -0.001 10.755) 11.314 4.470 ( -1.735 -4.077 13.090) 13.819 4.634 ( 4.617 4.026 -6.874) 9.207 4.793 ( 0.067 6.402 -16.895) 18.067 4.966 ( -6.109 7.430 0.990) 9.670 5.245 ( 2.216 3.900 -17.604) 18.167 5.491 ( 4.135 -0.746 2.815) 5.058 5.532 ( -1.483 1.103 -1.847) 2.613 6.194 ( 2.217 1.992 7.552) 8.119 6.293 ( -0.008 -1.309 -3.343) 3.591 6.803 ( -0.665 -0.530 8.331) 8.374 6.966 ( 3.763 0.282 -8.531) 9.328 7.488 ( -2.544 1.734 8.351) 8.901 7.680 ( 1.613 2.995 -11.007) 11.521 7.899 ( -3.687 4.660 -0.706) 5.984 7.917 ( 4.440 7.401 -2.218) 8.911 8.129 ( -3.480 4.268 1.724) 5.770 8.176 ( 2.781 5.870 -2.795) 7.071 8.689 ( -2.194 4.908 8.924) 10.418 8.797 ( 2.111 0.921 -2.622) 3.490 9.044 ( -6.470 -4.553 9.623) 12.457 9.188 ( 4.701 -4.148 -4.946) 7.986 9.402 ( 2.918 -1.265 6.357) 7.109 9.615 ( 1.709 -2.345 -10.014) 10.426 9.709 ( 2.874 7.202 -0.239) 7.758 9.775 ( -4.305 8.554 -5.778) 11.184 10.590 ( 4.932 2.777 8.419) 10.145 10.756 ( -8.325 1.286 -8.777) 12.165 11.104 ( -1.473 3.940 3.902) 5.738 11.140 ( 0.215 1.405 0.058) 1.422 11.519 ( -1.874 -1.743 11.613) 11.891 11.736 ( 0.291 -2.130 -9.352) 9.596 12.256 ( 4.753 -4.632 6.168) 9.061 12.390 ( -2.933 -3.112 -7.072) 8.264 12.640 ( -10.252 -8.194 9.433) 16.163 12.788 ( 5.957 -8.089 -6.254) 11.833 13.383 ( -5.287 18.569 3.230) 19.575 13.452 ( 0.434 19.641 -3.832) 20.016 14.741 ( 10.045 -1.555 2.862) 10.560 14.769 ( -2.289 -1.746 0.343) 2.899 15.310 ( 1.737 -3.166 3.506) 5.034 15.387 ( -1.040 -4.470 -4.311) 6.297 15.742 ( -7.088 2.696 11.508) 13.782 15.974 ( 4.573 -0.823 -12.286) 13.135 17.210 ( -10.463 -1.623 16.088) 19.259 17.422 ( 8.778 -4.454 -4.174) 10.692 18.070 ( -6.823 -3.929 -2.387) 8.227 18.124 ( 6.784 -5.410 -6.406) 10.786 18.752 ( -11.796 -6.602 7.003) 15.224 18.851 ( 4.718 -4.904 -3.997) 7.892 19.338 ( 6.531 -3.696 23.288) 24.467 19.830 ( 1.886 -8.612 -28.094) 29.445 23.438 ( -7.453 0.540 28.073) 29.050 23.936 ( 7.282 1.636 -24.644) 25.749 24.504 ( -0.834 -3.375 14.170) 14.590 24.827 ( 2.438 -3.373 -19.558) 19.996 ======================= Grid point 197 (99/125) ======================= q-point: ( 0.14 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 2.406 6.409 -7.596) 10.225 1.663 ( 19.139 1.242 11.134) 22.177 1.972 ( 2.401 3.371 19.112) 19.555 2.262 ( -2.556 4.486 6.222) 8.085 2.289 ( 3.898 0.064 -16.809) 17.255 2.376 ( 2.724 -1.543 -2.216) 3.836 2.724 ( -9.366 1.498 -0.715) 9.512 2.941 ( -3.594 -0.572 7.079) 7.959 3.257 ( 1.936 0.423 3.294) 3.844 3.368 ( 3.627 5.940 -6.250) 9.354 3.653 ( -0.907 -5.035 25.532) 26.039 3.796 ( -3.185 -2.353 -7.202) 8.219 3.858 ( -1.595 -11.305 3.650) 11.986 3.940 ( 1.020 -4.058 2.118) 4.690 4.213 ( -1.602 -3.684 7.397) 8.418 4.260 ( -6.516 3.449 6.537) 9.853 4.438 ( 0.829 -5.761 -0.250) 5.825 4.552 ( -1.249 -3.014 16.421) 16.742 4.751 ( 7.956 5.962 -9.810) 13.967 4.793 ( 7.399 4.312 -14.958) 17.236 4.925 ( -0.464 7.867 9.182) 12.101 5.214 ( 1.302 1.977 -12.013) 12.244 5.383 ( -4.259 4.537 -5.244) 8.137 5.689 ( 7.073 -3.903 -1.335) 8.188 6.291 ( 5.744 1.620 3.139) 6.743 6.327 ( 5.276 -0.129 -3.937) 6.584 6.836 ( 1.258 -2.617 5.188) 5.945 7.012 ( 4.747 0.697 -10.268) 11.334 7.473 ( -2.486 0.950 8.905) 9.294 7.644 ( -3.464 4.143 -5.547) 7.742 7.745 ( -7.375 5.809 -3.079) 9.880 7.972 ( -1.193 2.928 -3.275) 4.552 8.069 ( -2.100 8.081 3.111) 8.910 8.218 ( 2.058 5.298 -2.835) 6.351 8.565 ( -11.176 -0.907 7.438) 13.456 8.756 ( -4.334 8.931 -4.389) 10.854 9.047 ( 1.949 -1.264 8.852) 9.151 9.289 ( 2.519 -6.639 -5.341) 8.885 9.409 ( -4.570 -1.609 9.095) 10.305 9.574 ( 0.718 -2.291 -18.808) 18.960 9.671 ( -3.814 9.159 -2.225) 10.168 9.772 ( 3.001 4.132 3.388) 6.129 10.354 ( -19.896 4.976 -0.099) 20.509 10.548 ( -12.651 8.444 7.445) 16.935 11.087 ( 4.628 -4.806 1.465) 6.831 11.364 ( 7.007 4.014 0.073) 8.075 11.577 ( 2.310 -0.318 14.509) 14.695 11.752 ( 6.108 -4.992 -7.695) 11.020 12.264 ( -6.822 -4.541 -4.230) 9.222 12.394 ( 5.774 -2.122 3.044) 6.863 12.615 ( 3.073 -5.171 8.326) 10.272 12.944 ( 12.145 -8.771 -2.218) 15.144 13.167 ( -9.991 15.643 2.383) 18.713 13.573 ( 3.581 13.416 5.224) 14.835 14.810 ( 7.326 -1.016 -11.020) 13.272 14.910 ( 7.416 0.888 -1.324) 7.586 15.171 ( -9.106 -8.358 1.695) 12.476 15.407 ( -3.081 -2.667 -0.062) 4.075 15.752 ( 4.843 -0.802 12.247) 13.194 16.025 ( 4.171 3.882 -10.855) 12.259 17.081 ( -8.944 -0.096 16.570) 18.830 17.583 ( 9.541 -5.196 -4.356) 11.705 17.918 ( -7.758 -5.653 0.206) 9.601 18.200 ( 2.152 -2.763 -5.580) 6.588 18.495 ( -16.143 -7.067 7.675) 19.220 18.808 ( -8.247 -3.513 2.080) 9.202 19.538 ( 6.349 -7.779 17.293) 19.996 19.867 ( 11.940 -4.738 -31.026) 33.580 23.318 ( -14.920 2.920 28.763) 32.534 23.922 ( 1.218 0.964 -25.943) 25.990 24.564 ( 1.188 -4.132 12.338) 13.065 24.828 ( 5.206 -2.752 -18.999) 19.891 ======================= Grid point 198 (100/125) ======================= q-point: ( 0.29 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 10.425 8.137 -1.512) 13.311 2.051 ( 17.168 -0.131 8.093) 18.981 2.099 ( 5.744 2.917 10.233) 12.092 2.180 ( -8.526 8.104 7.181) 13.781 2.336 ( 7.031 2.374 -14.471) 16.263 2.468 ( 6.383 -3.409 2.109) 7.538 2.604 ( -1.923 -2.274 -4.938) 5.767 2.817 ( -12.531 -3.841 7.917) 15.312 3.244 ( -3.983 -4.884 -1.991) 6.609 3.321 ( -6.398 5.623 -5.795) 10.302 3.680 ( 2.184 -9.240 4.313) 10.428 3.849 ( 3.363 -0.387 15.725) 16.086 3.898 ( 4.861 -4.565 2.161) 7.010 3.943 ( -4.016 -3.015 11.383) 12.442 4.151 ( -5.213 3.772 4.121) 7.641 4.295 ( 5.490 0.757 7.762) 9.538 4.436 ( 0.481 -4.220 -8.020) 9.075 4.544 ( -5.679 1.258 21.265) 22.046 4.847 ( 8.272 6.003 -15.497) 18.564 4.892 ( 5.155 6.338 -6.068) 10.177 4.947 ( -1.543 6.966 6.251) 9.486 5.234 ( 3.598 3.593 -7.710) 9.236 5.322 ( 0.238 2.194 -5.804) 6.209 5.735 ( -0.732 -5.859 -4.929) 7.691 6.426 ( 6.739 0.765 2.371) 7.184 6.447 ( 8.459 0.878 -4.268) 9.515 6.881 ( 1.809 -4.652 3.865) 6.313 7.063 ( 3.554 0.760 -6.758) 7.673 7.457 ( -3.507 0.888 7.852) 8.645 7.491 ( -8.052 6.456 0.979) 10.367 7.653 ( -3.070 5.308 -5.034) 7.934 7.884 ( -4.898 0.768 -1.091) 5.077 8.067 ( 0.359 7.577 -0.979) 7.648 8.213 ( -1.656 4.377 -4.146) 6.252 8.412 ( -6.123 -1.732 6.208) 8.890 8.665 ( -3.266 12.266 -4.952) 13.626 9.065 ( -5.560 -0.080 1.164) 5.681 9.182 ( -4.660 2.023 6.562) 8.298 9.383 ( -3.492 3.384 0.643) 4.905 9.529 ( -8.693 2.118 -3.595) 9.643 9.548 ( 0.158 -2.034 -12.970) 13.129 9.792 ( -3.820 10.521 -11.912) 16.346 10.118 ( 0.100 -4.266 12.223) 12.947 10.513 ( 3.078 10.119 16.213) 19.358 11.115 ( -2.809 -4.233 1.110) 5.200 11.373 ( -2.040 -0.552 -7.964) 8.240 11.690 ( 4.062 -1.086 11.478) 12.224 11.875 ( 6.317 -0.817 -0.974) 6.444 12.133 ( -5.586 -7.627 0.066) 9.454 12.446 ( -1.062 -0.226 -1.662) 1.985 12.753 ( 7.137 -3.749 7.451) 10.978 13.040 ( -1.652 7.927 0.048) 8.098 13.230 ( 15.378 -8.295 0.276) 17.474 13.611 ( -1.329 6.137 7.234) 9.579 14.813 ( -2.247 -4.301 -16.616) 17.310 14.880 ( -10.833 -3.685 3.058) 11.844 15.244 ( 11.853 -5.749 1.018) 13.213 15.394 ( 6.987 1.154 6.065) 9.324 15.880 ( 2.550 -1.068 -1.449) 3.122 16.036 ( 0.792 5.138 -4.980) 7.199 17.032 ( -2.500 1.037 21.080) 21.253 17.722 ( 7.343 -2.711 -10.713) 13.268 17.829 ( -3.333 -5.487 12.132) 13.726 18.135 ( -6.387 0.044 -4.165) 7.625 18.230 ( -13.904 -8.087 4.326) 16.656 18.649 ( -7.338 -4.714 -2.276) 9.014 19.680 ( 1.409 -7.964 17.217) 19.022 19.984 ( 11.747 -4.141 -30.315) 32.774 23.145 ( -14.197 5.184 31.403) 34.850 23.814 ( -0.906 2.116 -29.914) 30.002 24.621 ( 0.125 -4.611 11.260) 12.168 24.870 ( 5.948 -2.556 -17.756) 18.899 ======================= Grid point 199 (101/125) ======================= q-point: ( 0.43 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 7.057 7.891 7.201) 12.803 2.009 ( -10.520 8.369 2.086) 13.604 2.235 ( 5.754 2.142 6.759) 9.132 2.353 ( 10.800 3.704 -0.659) 11.437 2.439 ( 7.029 -2.278 -3.603) 8.221 2.559 ( -11.854 -1.976 6.775) 13.795 2.599 ( 5.780 -5.721 -0.594) 8.155 2.622 ( 2.307 -2.379 -7.233) 7.956 3.112 ( -6.972 0.420 -2.429) 7.395 3.152 ( -8.318 -0.513 -2.857) 8.810 3.792 ( 3.329 -7.011 12.340) 14.578 3.843 ( -7.569 4.498 13.183) 15.853 3.949 ( -0.655 -5.465 17.369) 18.221 4.022 ( 4.966 -1.071 -0.457) 5.101 4.119 ( 0.067 -1.351 3.238) 3.509 4.369 ( 0.917 -3.894 -11.813) 12.472 4.440 ( -0.540 -0.140 13.352) 13.364 4.543 ( 0.965 7.308 11.688) 13.818 4.877 ( -3.003 6.962 -2.382) 7.947 4.939 ( 4.168 7.376 -8.589) 12.064 4.973 ( 3.761 6.391 -2.090) 7.704 5.227 ( 1.355 8.944 -19.388) 21.394 5.376 ( 4.658 -4.636 6.565) 9.289 5.651 ( -4.820 -6.520 -8.471) 11.726 6.509 ( -0.423 1.240 6.391) 6.524 6.580 ( 6.441 1.529 -5.810) 8.808 6.926 ( 0.130 -4.388 7.993) 9.119 7.058 ( -4.262 0.050 3.520) 5.527 7.374 ( -0.910 4.483 -1.663) 4.867 7.458 ( 0.087 1.534 -1.672) 2.271 7.597 ( 0.048 5.263 1.228) 5.405 7.800 ( -3.294 1.379 -4.480) 5.729 8.067 ( -1.323 5.125 1.243) 5.437 8.146 ( -1.742 3.573 -4.131) 5.733 8.410 ( 3.469 2.181 1.580) 4.392 8.572 ( -4.103 7.692 -6.778) 11.043 8.981 ( -0.247 8.756 0.925) 8.809 9.135 ( -5.879 6.832 0.514) 9.028 9.270 ( -6.425 6.965 5.164) 10.792 9.391 ( -3.218 -1.952 6.687) 7.674 9.514 ( -0.894 -2.305 -10.611) 10.896 9.655 ( -2.094 11.120 -15.109) 18.877 10.334 ( 13.005 -7.280 14.076) 20.500 10.656 ( 2.874 2.549 8.134) 8.996 11.018 ( -5.703 0.798 4.266) 7.166 11.297 ( -1.420 0.857 -11.810) 11.926 11.793 ( 2.187 -0.737 8.664) 8.966 11.911 ( -2.168 2.932 -1.038) 3.791 12.111 ( 3.132 -13.623 4.762) 14.768 12.366 ( -4.390 -2.940 -6.343) 8.255 12.895 ( 3.705 -2.278 9.036) 10.028 13.053 ( 2.838 3.048 -3.720) 5.584 13.490 ( 9.039 -4.419 2.369) 10.337 13.593 ( -1.076 0.038 1.323) 1.706 14.630 ( -14.521 -8.828 8.879) 19.174 14.738 ( 0.837 -6.133 -12.628) 14.064 15.405 ( 6.454 0.149 7.154) 9.636 15.680 ( 10.872 0.026 -2.610) 11.181 15.821 ( 0.310 1.924 -8.037) 8.270 15.995 ( -5.792 2.089 -2.189) 6.535 17.164 ( 6.308 0.203 27.157) 27.881 17.750 ( -5.673 -0.727 -5.461) 7.908 17.830 ( 1.881 -0.862 2.773) 3.460 17.967 ( -7.246 -0.213 -1.173) 7.344 18.127 ( 2.673 -8.851 6.159) 11.109 18.506 ( -6.279 -6.169 -9.465) 12.926 19.704 ( -5.828 -6.748 19.097) 21.076 20.077 ( 9.419 -5.227 -28.366) 30.343 23.041 ( -9.261 6.482 34.019) 35.848 23.703 ( 1.791 3.385 -32.129) 32.356 24.648 ( -1.644 -4.586 10.956) 11.990 24.909 ( 4.832 -2.810 -17.311) 18.191 ======================= Grid point 200 (102/125) ======================= q-point: (-0.43 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -12.995 5.870 7.473) 16.099 1.879 ( -3.615 7.807 10.931) 13.911 2.337 ( -5.615 0.469 6.809) 8.838 2.353 ( 2.897 4.416 -5.156) 7.381 2.441 ( 1.873 3.898 -7.782) 8.903 2.543 ( -4.711 -8.843 1.088) 10.078 2.593 ( -2.836 -1.761 -1.079) 3.509 2.744 ( 12.535 -0.753 -9.648) 15.837 3.056 ( 0.244 0.405 3.014) 3.051 3.086 ( 4.272 -0.937 4.405) 6.207 3.645 ( -16.021 5.962 24.499) 29.873 3.959 ( -0.944 -1.765 13.906) 14.050 3.968 ( 2.306 -3.320 0.381) 4.060 4.034 ( -2.103 -5.612 2.934) 6.673 4.125 ( -0.781 -5.763 3.519) 6.798 4.336 ( 0.492 -3.465 -7.150) 7.961 4.454 ( -2.789 -0.406 13.324) 13.619 4.644 ( 4.829 8.987 0.373) 10.209 4.780 ( -6.149 2.706 -1.883) 6.977 4.957 ( 0.401 10.730 -2.008) 10.923 5.053 ( 5.862 6.121 -5.432) 10.067 5.176 ( 1.557 7.280 -19.896) 21.243 5.475 ( -1.530 -7.169 1.334) 7.451 5.551 ( 2.124 -3.863 -3.602) 5.692 6.452 ( -7.839 2.035 7.429) 10.990 6.604 ( -2.851 1.234 -3.850) 4.947 6.922 ( -4.410 -1.427 10.526) 11.502 6.971 ( -4.999 0.111 7.950) 9.391 7.402 ( 2.893 2.058 -0.455) 3.579 7.495 ( 6.362 2.373 -7.348) 10.005 7.691 ( 7.543 1.651 5.106) 9.258 7.735 ( -0.727 5.814 -10.260) 11.815 8.029 ( -1.590 2.574 3.675) 4.760 8.137 ( 0.525 5.369 -1.805) 5.688 8.451 ( 1.206 -0.477 -3.259) 3.507 8.572 ( 5.767 7.208 -5.881) 10.945 8.970 ( -2.261 12.367 1.237) 12.633 9.105 ( 5.826 8.010 -0.508) 9.917 9.229 ( -2.726 2.904 16.791) 17.257 9.413 ( 1.843 3.066 4.409) 5.677 9.451 ( -1.557 1.386 -5.034) 5.449 9.627 ( 4.144 5.973 -14.119) 15.881 10.550 ( -7.206 -9.203 -4.821) 12.644 10.639 ( 9.197 -5.849 4.588) 11.826 11.021 ( 0.491 7.348 12.852) 14.813 11.255 ( 2.389 4.275 -14.476) 15.282 11.764 ( -7.094 -3.927 8.155) 11.500 11.900 ( 0.267 3.226 2.638) 4.176 12.233 ( 5.566 -9.622 2.190) 11.330 12.287 ( 1.027 -6.457 -7.180) 9.711 12.928 ( -2.802 -1.176 6.279) 6.976 13.081 ( 1.140 1.175 -7.274) 7.456 13.441 ( -10.510 -3.120 4.900) 12.008 13.683 ( 6.433 -1.349 -5.280) 8.431 14.466 ( -6.324 -5.664 14.905) 17.153 14.794 ( 8.184 -6.890 -7.657) 13.156 15.471 ( -7.390 -2.237 4.828) 9.106 15.645 ( 3.505 1.656 -4.444) 5.898 15.789 ( -13.653 2.250 -4.321) 14.496 16.005 ( 9.681 0.994 -2.850) 10.141 17.349 ( -1.197 -3.091 23.442) 23.675 17.546 ( -9.155 3.338 -3.554) 10.372 17.899 ( 7.834 -2.644 -1.316) 8.372 17.996 ( 8.939 1.771 -4.928) 10.360 18.261 ( 3.336 -9.263 8.123) 12.764 18.366 ( -0.624 -6.057 -8.792) 10.695 19.612 ( -11.358 -6.157 20.396) 24.144 20.122 ( 5.476 -6.540 -25.025) 26.439 23.054 ( -2.989 6.721 36.182) 36.922 23.663 ( 6.600 3.902 -31.577) 32.495 24.638 ( -3.737 -4.334 10.889) 12.302 24.922 ( 3.283 -3.257 -17.450) 18.053 ======================= Grid point 201 (103/125) ======================= q-point: (-0.29 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -17.495 6.740 6.345) 19.793 1.831 ( -7.374 5.182 22.861) 24.574 2.154 ( -14.721 1.643 -1.679) 14.907 2.369 ( -1.859 5.967 -7.177) 9.517 2.422 ( 0.933 1.957 -13.471) 13.644 2.482 ( -4.299 -6.141 -0.164) 7.498 2.546 ( 6.092 0.628 1.155) 6.232 2.977 ( 12.489 -3.637 -5.832) 14.256 3.144 ( 4.453 5.068 9.450) 11.611 3.218 ( 5.876 -4.512 3.055) 8.013 3.440 ( -14.818 7.602 27.325) 32.000 3.844 ( -5.602 -3.645 0.006) 6.683 3.978 ( -4.429 -3.685 3.251) 6.616 4.078 ( 2.006 -8.526 6.895) 11.147 4.159 ( 1.708 -6.331 10.741) 12.584 4.325 ( 1.147 -2.782 -11.119) 11.519 4.433 ( -4.212 -1.824 11.257) 12.157 4.630 ( -7.694 3.597 5.956) 10.374 4.684 ( -0.906 4.641 -10.025) 11.085 4.932 ( -2.204 12.365 -3.038) 12.922 5.156 ( 5.398 3.542 -0.819) 6.508 5.172 ( 6.987 8.182 -20.697) 23.326 5.355 ( -7.063 -6.203 -6.356) 11.348 5.646 ( 3.200 -2.884 4.795) 6.446 6.300 ( -10.190 1.694 7.463) 12.743 6.473 ( -8.215 -0.262 -0.678) 8.247 6.863 ( -4.723 0.172 7.013) 8.457 6.938 ( -1.931 0.770 5.795) 6.157 7.468 ( 3.029 2.571 4.025) 5.655 7.607 ( 7.071 2.840 -6.495) 10.012 7.696 ( 1.055 6.627 -8.995) 11.223 7.852 ( 6.607 1.401 2.240) 7.115 8.070 ( 4.836 3.916 -1.313) 6.360 8.150 ( 1.025 3.787 1.789) 4.312 8.521 ( 8.046 -6.403 -5.989) 11.900 8.606 ( -0.437 12.255 2.140) 12.448 9.049 ( 8.133 5.276 3.655) 10.360 9.164 ( -0.631 -0.970 9.232) 9.304 9.343 ( 0.555 2.190 -3.107) 3.841 9.397 ( 7.667 14.148 3.366) 16.440 9.530 ( 5.899 7.073 11.663) 14.861 9.676 ( 5.468 0.641 -12.354) 13.525 10.350 ( -6.964 -8.327 -10.567) 15.149 10.760 ( 2.410 2.294 -6.059) 6.913 11.125 ( 6.089 1.246 10.109) 11.866 11.232 ( -1.969 -1.556 -7.610) 8.013 11.703 ( -1.404 -3.897 8.699) 9.634 11.855 ( -7.158 4.866 2.805) 9.098 12.233 ( 0.706 -6.603 -8.687) 10.934 12.402 ( 4.998 -4.410 2.121) 6.995 12.865 ( -4.426 -2.747 -2.856) 5.941 13.055 ( 0.199 2.471 -2.152) 3.282 13.210 ( -14.017 -6.311 1.445) 15.440 13.763 ( 4.275 6.336 -8.191) 11.203 14.475 ( -0.914 -0.868 18.221) 18.265 14.915 ( 3.516 -0.659 -0.881) 3.684 15.291 ( -8.457 -11.485 -2.359) 14.457 15.500 ( -10.271 1.226 -5.593) 11.759 15.763 ( 3.991 5.142 6.373) 9.109 16.077 ( -0.193 -0.316 -6.009) 6.020 17.298 ( -3.005 -2.272 -1.558) 4.076 17.430 ( -7.551 1.443 14.469) 16.385 18.066 ( 4.601 -3.070 -7.454) 9.282 18.116 ( 2.908 -2.399 -5.400) 6.585 18.315 ( 14.921 -6.372 -4.060) 16.725 18.543 ( 12.559 -5.410 8.372) 16.034 19.439 ( -15.142 -5.711 22.775) 27.939 20.090 ( 0.183 -8.395 -22.596) 24.106 23.186 ( 2.463 5.074 36.265) 36.701 23.719 ( 10.963 3.788 -29.185) 31.406 24.588 ( -5.829 -3.959 11.419) 13.418 24.905 ( 1.913 -3.659 -17.893) 18.363 ======================= Grid point 202 (104/125) ======================= q-point: (-0.14 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -7.733 6.948 12.344) 16.138 1.810 ( -4.017 6.013 21.676) 22.851 1.831 ( -16.444 1.206 -2.325) 16.651 2.303 ( -2.156 2.349 -5.468) 6.329 2.384 ( -4.776 -4.020 -0.279) 6.249 2.397 ( 1.647 0.422 -13.778) 13.882 2.735 ( 11.168 3.375 -0.987) 11.709 3.061 ( -3.013 -0.265 -1.804) 3.522 3.197 ( -3.686 5.010 12.319) 13.800 3.300 ( 2.510 -0.137 -2.458) 3.516 3.385 ( -0.045 7.256 26.613) 27.584 3.830 ( 2.625 -8.814 2.131) 9.440 3.895 ( -3.811 -10.525 2.664) 11.507 4.149 ( -0.911 -5.776 7.359) 9.399 4.203 ( 2.997 -12.095 -2.691) 12.748 4.290 ( -1.195 1.389 -1.129) 2.152 4.389 ( -4.131 -0.189 9.529) 10.388 4.519 ( -6.449 -3.336 10.184) 12.507 4.629 ( -0.047 6.984 -10.460) 12.578 4.865 ( -2.549 9.513 -7.071) 12.124 5.130 ( -7.215 4.061 -11.296) 14.006 5.246 ( 2.983 2.120 -14.364) 14.823 5.306 ( 8.932 1.989 1.216) 9.231 5.653 ( -4.587 -1.344 2.783) 5.531 6.179 ( -4.524 1.378 8.276) 9.532 6.344 ( -4.725 -1.010 -0.701) 4.883 6.810 ( -3.518 0.577 8.644) 9.351 6.938 ( 1.200 0.318 -2.091) 2.431 7.503 ( -1.567 2.662 7.123) 7.764 7.673 ( 3.498 2.507 -10.892) 11.712 7.769 ( 8.446 7.622 -3.566) 11.922 7.939 ( 2.107 2.165 0.178) 3.027 8.139 ( 2.695 5.957 -4.168) 7.753 8.167 ( -0.495 3.105 1.811) 3.629 8.626 ( 2.874 11.193 5.045) 12.609 8.691 ( 8.950 -7.994 -1.153) 12.055 9.139 ( -5.273 -2.104 16.738) 17.675 9.192 ( -0.059 0.838 -5.889) 5.948 9.306 ( 3.649 -0.597 0.095) 3.698 9.550 ( 5.973 9.864 -1.942) 11.694 9.687 ( 2.004 -0.537 -1.768) 2.725 9.780 ( 7.979 9.816 -1.602) 12.751 10.320 ( 9.818 -2.526 -0.272) 10.141 10.790 ( 6.159 5.581 -12.839) 15.294 11.103 ( -6.911 -7.018 -1.746) 10.003 11.268 ( 0.653 1.016 10.090) 10.162 11.650 ( -13.876 3.221 3.009) 14.560 11.743 ( 1.822 -0.752 -0.924) 2.177 12.211 ( -0.606 -5.491 -0.823) 5.585 12.437 ( -0.630 -2.715 -1.336) 3.091 12.771 ( -1.728 -5.586 -7.248) 9.313 12.887 ( -16.328 -9.651 3.355) 19.261 13.205 ( 11.020 10.475 -1.693) 15.298 13.697 ( -9.650 18.549 -8.670) 22.636 14.555 ( 4.438 -0.556 14.991) 15.644 14.864 ( -7.062 0.546 3.443) 7.876 15.217 ( 2.415 -5.669 -2.567) 6.675 15.423 ( 0.264 -6.276 -0.650) 6.315 15.812 ( -2.105 5.549 7.596) 9.639 15.997 ( -2.847 -1.852 -10.531) 11.065 17.304 ( 4.123 -2.527 -3.118) 5.754 17.336 ( -8.319 -0.950 15.255) 17.402 18.052 ( 2.855 -6.970 -9.657) 12.247 18.153 ( -0.664 -1.838 -1.467) 2.443 18.623 ( 16.444 -6.771 -5.847) 18.720 18.812 ( 10.350 -3.752 1.649) 11.132 19.253 ( -11.470 -4.502 27.908) 30.507 19.966 ( -4.102 -9.856 -22.532) 24.933 23.370 ( 2.180 1.615 32.177) 32.291 23.841 ( 11.948 3.138 -26.395) 29.142 24.517 ( -5.680 -3.432 13.284) 14.850 24.867 ( 1.238 -3.761 -18.702) 19.117 ======================= Grid point 203 (105/125) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 5.329 7.584 11.687) 14.916 1.628 ( -5.897 5.491 -8.755) 11.899 1.972 ( 0.735 5.121 18.379) 19.093 2.282 ( -0.368 -0.972 4.549) 4.667 2.311 ( 1.480 3.065 -14.114) 14.518 2.334 ( -1.491 -2.625 -3.557) 4.666 2.906 ( 1.267 -2.589 5.554) 6.257 2.982 ( -6.923 0.409 -1.333) 7.062 3.290 ( -1.233 2.831 8.419) 8.968 3.441 ( 3.800 5.435 -6.358) 9.187 3.472 ( -1.665 -13.226 8.219) 15.660 3.547 ( -1.051 -15.681 -0.856) 15.739 3.750 ( 3.706 6.257 12.845) 14.761 3.947 ( -5.084 -1.246 -4.817) 7.113 4.161 ( 5.692 -6.599 5.996) 10.578 4.234 ( -3.709 -2.596 -1.518) 4.774 4.394 ( -5.928 2.668 13.281) 14.786 4.498 ( 3.373 3.969 5.682) 7.708 4.738 ( 2.708 6.576 2.227) 7.453 4.917 ( -2.231 3.951 -6.596) 8.007 5.036 ( -4.223 2.443 -2.207) 5.355 5.274 ( 2.936 -0.637 -15.591) 15.878 5.503 ( 4.489 1.767 4.148) 6.362 5.604 ( -3.232 4.919 -5.381) 7.975 6.238 ( 3.531 1.424 4.675) 6.029 6.285 ( -0.032 1.077 -0.488) 1.182 6.798 ( -3.013 0.062 8.682) 9.190 6.963 ( 4.096 -0.655 -8.056) 9.061 7.537 ( -3.846 2.842 9.043) 10.229 7.743 ( 1.817 2.599 -10.993) 11.442 7.977 ( -2.970 3.456 1.767) 4.888 8.035 ( 3.548 3.813 -4.412) 6.826 8.238 ( -2.039 5.560 3.146) 6.706 8.298 ( 3.364 4.847 -2.304) 6.334 8.714 ( 2.093 -3.704 11.345) 12.116 8.807 ( -5.541 -1.555 -0.440) 5.771 9.005 ( 1.987 3.058 6.546) 7.493 9.169 ( -1.847 0.919 -8.122) 8.380 9.378 ( 0.580 -0.113 4.682) 4.719 9.542 ( 0.538 -4.157 -11.038) 11.807 9.879 ( 0.440 9.699 6.867) 11.893 9.987 ( -1.868 11.707 -4.470) 12.670 10.712 ( 7.979 9.374 6.850) 14.088 10.849 ( -7.754 7.672 -7.174) 13.055 11.148 ( 18.562 1.872 5.057) 19.329 11.232 ( -17.436 6.541 -1.480) 18.681 11.469 ( 0.099 -2.745 9.944) 10.316 11.690 ( -4.917 -1.965 -10.650) 11.894 12.174 ( 4.424 -3.103 8.341) 9.939 12.324 ( -1.589 -3.374 -7.395) 8.282 12.560 ( -5.964 -1.275 7.361) 9.560 12.678 ( 3.111 -3.263 -4.662) 6.486 13.700 ( 9.732 13.008 5.770) 17.239 13.813 ( -15.058 14.724 -6.010) 21.902 14.696 ( 10.041 -2.845 2.589) 10.752 14.724 ( -2.158 -2.640 0.284) 3.422 15.236 ( -3.637 -3.587 2.824) 5.837 15.301 ( 4.539 -3.449 -3.975) 6.950 15.755 ( -10.572 -2.298 8.620) 13.833 15.920 ( 7.923 -5.203 -8.624) 12.814 17.164 ( -7.856 -2.773 15.143) 17.284 17.319 ( 4.051 -4.826 1.489) 6.474 17.960 ( -8.418 -6.468 -4.652) 11.591 17.977 ( 8.243 -8.399 -4.549) 12.616 18.631 ( -8.733 -4.062 7.994) 12.517 18.771 ( 3.321 -2.142 -7.286) 8.288 19.221 ( 4.660 -7.833 18.267) 20.414 19.611 ( 4.244 -12.381 -22.628) 26.140 23.486 ( -6.285 4.407 26.635) 27.720 23.982 ( 5.863 3.091 -24.969) 25.834 24.401 ( -1.254 -6.761 13.472) 15.125 24.728 ( 3.260 -6.400 -20.123) 21.366 ======================= Grid point 204 (106/125) ======================= q-point: ( 0.14 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 5.502 7.974 -4.165) 10.545 1.684 ( 14.175 1.852 7.257) 16.031 2.057 ( 2.448 4.701 12.472) 13.552 2.296 ( 2.898 -2.665 -12.028) 12.656 2.328 ( 2.821 1.675 4.904) 5.900 2.345 ( 3.365 2.400 -2.263) 4.712 2.790 ( -11.732 3.572 1.829) 12.399 2.880 ( -7.158 -5.012 8.258) 12.023 3.238 ( -5.697 -2.298 1.992) 6.458 3.423 ( -0.577 -10.469 0.835) 10.519 3.537 ( 2.118 -0.919 2.089) 3.113 3.602 ( 4.708 -7.640 3.501) 9.633 3.831 ( -1.232 4.625 4.648) 6.672 3.903 ( 3.496 0.192 0.225) 3.508 4.175 ( 1.086 -2.095 1.223) 2.658 4.288 ( 2.448 -3.948 3.938) 6.090 4.341 ( -4.068 2.677 11.339) 12.340 4.573 ( 2.445 5.009 4.774) 7.339 4.866 ( 6.784 3.864 3.978) 8.762 4.907 ( 4.826 5.518 -7.143) 10.235 5.002 ( 2.059 2.086 0.781) 3.033 5.261 ( 0.609 3.845 -9.676) 10.429 5.512 ( -1.915 6.091 -7.907) 10.163 5.599 ( 2.096 -4.041 1.619) 4.832 6.331 ( 6.321 1.225 -3.767) 7.459 6.339 ( 5.093 2.074 0.800) 5.557 6.788 ( -0.948 -1.921 6.343) 6.695 7.020 ( 4.617 -0.102 -7.139) 8.503 7.499 ( -4.171 1.477 11.552) 12.371 7.715 ( -1.348 2.112 -7.772) 8.166 7.847 ( -9.083 4.814 0.835) 10.313 8.037 ( -1.849 3.213 -5.292) 6.461 8.204 ( -1.835 2.852 2.709) 4.341 8.369 ( 3.411 9.182 -4.485) 10.773 8.557 ( -11.596 0.455 1.416) 11.691 8.839 ( 0.261 -2.873 8.082) 8.581 9.079 ( 3.222 -1.274 4.584) 5.746 9.204 ( 5.494 4.862 -3.148) 7.983 9.371 ( -2.293 -1.790 4.917) 5.713 9.516 ( -0.593 -2.421 -10.197) 10.497 9.878 ( -1.707 7.099 7.257) 10.294 9.912 ( -4.400 13.325 -3.412) 14.441 10.544 ( -17.960 12.550 -9.558) 23.905 10.755 ( -7.546 12.150 8.517) 16.647 11.026 ( 0.651 -0.880 -3.110) 3.297 11.437 ( 3.911 3.083 0.386) 4.995 11.562 ( 2.260 -1.538 12.635) 12.927 11.618 ( 4.493 -6.010 -0.628) 7.530 12.240 ( -4.136 0.906 -6.538) 7.789 12.322 ( 6.908 -4.359 3.158) 8.757 12.561 ( 3.869 -0.907 6.054) 7.241 12.800 ( 11.117 -5.110 -0.600) 12.250 13.441 ( -18.114 10.636 -3.455) 21.288 13.811 ( -3.646 9.985 10.653) 15.049 14.768 ( 4.178 -3.852 -10.732) 12.144 14.889 ( 7.711 -7.944 1.265) 11.143 15.031 ( -8.958 0.467 -0.491) 8.983 15.353 ( -1.789 -2.086 -0.307) 2.765 15.718 ( 4.987 -2.913 8.783) 10.512 16.057 ( 7.112 -1.828 -6.960) 10.118 17.085 ( -6.497 0.638 16.869) 18.088 17.437 ( 7.386 -8.566 3.011) 11.704 17.787 ( -7.125 -6.046 -1.951) 9.546 18.105 ( 5.592 -6.724 -4.423) 9.800 18.386 ( -15.885 -2.620 5.336) 16.961 18.729 ( -8.701 -3.326 -0.178) 9.317 19.348 ( 5.331 -10.336 10.889) 15.932 19.718 ( 13.046 -9.975 -25.504) 30.335 23.409 ( -11.508 6.147 26.574) 29.604 23.960 ( 1.734 2.964 -24.718) 24.956 24.445 ( 0.423 -7.513 11.691) 13.904 24.741 ( 5.752 -5.958 -19.726) 21.394 ======================= Grid point 205 (107/125) ======================= q-point: ( 0.29 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 10.326 8.938 -1.602) 13.751 1.975 ( 12.536 -5.412 6.321) 15.047 2.156 ( 5.358 0.958 -0.757) 5.496 2.359 ( 6.401 -0.800 -2.816) 7.039 2.380 ( -0.604 6.434 2.526) 6.938 2.428 ( 4.986 3.082 4.204) 7.214 2.592 ( -8.190 2.574 -0.067) 8.585 2.732 ( -10.335 -3.050 7.971) 13.403 3.133 ( -5.158 -4.329 -1.139) 6.830 3.427 ( -3.438 -11.511 5.521) 13.221 3.512 ( 0.214 7.325 -4.128) 8.411 3.721 ( 5.208 -10.082 5.832) 12.758 3.857 ( 0.612 -0.336 10.282) 10.305 3.981 ( 4.679 4.584 0.639) 6.582 4.192 ( -4.347 2.346 9.064) 10.323 4.303 ( 0.420 -6.654 -6.023) 8.985 4.372 ( 3.515 5.138 13.984) 15.307 4.630 ( 2.213 6.806 2.569) 7.604 4.991 ( 7.578 5.356 -4.957) 10.521 5.015 ( 7.590 5.727 -3.073) 9.992 5.076 ( 0.993 3.357 7.203) 8.009 5.239 ( 0.011 3.557 -3.248) 4.817 5.457 ( -0.078 7.029 -13.006) 14.784 5.594 ( -2.389 -7.363 -2.919) 8.273 6.434 ( 5.161 -0.103 0.094) 5.163 6.472 ( 9.374 1.551 -4.865) 10.675 6.809 ( 0.630 -2.322 6.286) 6.731 7.069 ( 1.981 -0.319 -3.395) 3.944 7.461 ( -4.046 -0.653 9.349) 10.208 7.601 ( -8.746 2.203 -1.266) 9.107 7.728 ( -2.942 4.177 -0.683) 5.154 7.953 ( -4.240 4.739 -4.244) 7.645 8.189 ( -0.237 2.750 -0.104) 2.762 8.342 ( -5.125 5.991 -2.081) 8.154 8.432 ( 0.627 7.465 -4.651) 8.818 8.860 ( -1.072 1.601 3.259) 3.786 9.108 ( -2.750 1.960 2.132) 3.994 9.262 ( 1.479 8.350 0.099) 8.480 9.351 ( -2.818 0.110 13.180) 13.478 9.450 ( -0.460 -4.778 -9.528) 10.669 9.780 ( -8.928 15.287 -3.773) 18.101 9.955 ( 7.273 3.581 3.575) 8.860 10.190 ( -12.331 12.076 -9.425) 19.665 10.702 ( -2.467 8.293 8.240) 11.948 11.052 ( 0.862 -0.818 2.228) 2.525 11.371 ( -3.419 0.706 -8.646) 9.324 11.659 ( 2.183 -2.637 6.442) 7.295 11.733 ( 3.750 -8.640 12.803) 15.894 12.132 ( -5.629 4.080 -2.736) 7.471 12.379 ( -1.612 -5.708 -4.625) 7.521 12.713 ( 8.035 -0.444 7.059) 10.704 13.087 ( 17.491 -5.331 1.624) 18.357 13.158 ( -8.074 3.852 -5.266) 10.381 13.718 ( -8.898 4.457 9.774) 13.949 14.675 ( -11.993 -9.912 -2.565) 15.769 14.697 ( -12.333 -13.769 -5.336) 19.239 15.211 ( 13.782 2.674 -2.830) 14.322 15.448 ( 12.857 4.706 5.029) 14.586 15.859 ( 5.009 -1.482 0.120) 5.225 16.092 ( -0.940 -0.299 -4.916) 5.014 17.063 ( -2.521 2.012 21.442) 21.683 17.607 ( 8.864 -10.089 5.210) 14.405 17.715 ( -0.781 -3.330 3.008) 4.555 18.082 ( -8.934 -3.046 -6.057) 11.216 18.152 ( -7.626 -0.971 2.350) 8.039 18.521 ( -10.328 -7.084 -4.670) 13.366 19.482 ( 2.929 -10.925 13.166) 17.357 19.843 ( 10.387 -9.888 -27.376) 30.905 23.287 ( -11.185 8.758 27.798) 31.218 23.882 ( 0.572 4.644 -27.389) 27.786 24.490 ( -0.328 -8.218 11.820) 14.400 24.784 ( 6.047 -6.043 -19.101) 20.926 ======================= Grid point 206 (108/125) ======================= q-point: ( 0.43 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 5.939 7.260 5.119) 10.686 2.133 ( -0.605 -4.455 -3.922) 5.967 2.227 ( 0.729 -1.766 6.539) 6.813 2.331 ( -1.741 -1.200 4.386) 4.869 2.463 ( 5.858 1.131 -3.553) 6.944 2.489 ( 0.152 5.604 3.571) 6.646 2.551 ( 1.544 -1.224 -0.022) 1.970 2.627 ( -0.971 1.904 -1.477) 2.598 3.085 ( 2.229 1.322 -0.357) 2.616 3.270 ( -11.387 5.645 0.617) 12.725 3.614 ( 6.698 -8.094 6.422) 12.313 3.776 ( -2.003 -10.638 6.851) 12.811 3.938 ( 2.340 0.170 10.080) 10.349 4.049 ( 0.873 6.561 2.958) 7.250 4.108 ( -6.434 1.209 11.109) 12.895 4.295 ( 1.675 -3.945 -10.263) 11.122 4.480 ( -0.117 4.975 17.354) 18.054 4.690 ( 5.035 7.144 -4.471) 9.818 5.048 ( -4.597 6.908 6.545) 10.568 5.101 ( 1.092 7.135 4.099) 8.301 5.132 ( 7.047 9.652 -9.899) 15.518 5.262 ( 3.615 -5.580 3.095) 7.334 5.399 ( -0.685 7.529 -14.432) 16.292 5.504 ( -3.918 -6.886 -9.781) 12.587 6.520 ( 1.441 -0.290 5.437) 5.632 6.609 ( 6.375 1.151 -5.984) 8.820 6.851 ( 1.131 -3.028 8.115) 8.735 7.034 ( -5.237 -2.325 1.096) 5.834 7.434 ( -1.587 0.832 -0.287) 1.815 7.461 ( -2.817 -1.390 0.988) 3.293 7.702 ( -0.593 5.829 4.394) 7.323 7.881 ( -0.991 5.464 -4.994) 7.468 8.195 ( 0.267 5.286 -0.935) 5.374 8.246 ( -3.202 7.493 -3.755) 8.972 8.509 ( 9.209 7.827 -3.695) 12.638 8.734 ( -11.174 5.681 -3.256) 12.951 9.113 ( 2.375 3.033 6.299) 7.383 9.275 ( 0.694 8.593 -2.669) 9.025 9.368 ( -4.124 1.509 15.592) 16.199 9.419 ( 0.860 -0.622 -8.576) 8.641 9.601 ( -5.977 16.033 3.265) 17.420 9.945 ( -3.526 16.565 -17.345) 24.242 10.222 ( 11.284 -3.842 8.933) 14.896 10.624 ( -7.974 -4.241 -3.996) 9.876 11.093 ( 0.648 5.353 12.224) 13.360 11.320 ( 1.496 2.002 -7.551) 7.953 11.730 ( 5.898 -9.164 1.567) 11.010 11.851 ( 2.182 -6.004 18.127) 19.220 11.990 ( -8.224 3.524 -4.316) 9.934 12.255 ( -6.115 -7.091 -10.668) 14.194 12.864 ( 3.609 -0.856 10.929) 11.541 13.096 ( 2.466 1.342 -7.547) 8.052 13.411 ( 14.062 -3.283 0.847) 14.465 13.575 ( -8.745 -1.279 4.720) 10.019 14.389 ( -14.265 -14.301 9.743) 22.427 14.547 ( -1.692 -12.920 -12.408) 17.993 15.431 ( 9.698 2.655 4.943) 11.204 15.705 ( 4.959 2.817 -2.858) 6.379 15.873 ( 3.806 2.866 -5.652) 7.393 16.020 ( -5.702 -0.235 -1.196) 5.831 17.165 ( 2.970 -0.101 27.791) 27.949 17.731 ( -0.314 -0.937 -2.340) 2.540 17.799 ( 9.388 -7.908 5.345) 13.388 17.872 ( -10.879 -2.943 7.822) 13.718 18.047 ( -0.785 1.990 -7.463) 7.763 18.336 ( -6.762 -10.202 -11.962) 17.114 19.524 ( -4.643 -10.484 17.996) 21.338 19.913 ( 7.846 -11.052 -27.637) 30.782 23.215 ( -7.275 10.509 29.281) 31.949 23.803 ( 2.545 6.484 -29.400) 30.213 24.515 ( -1.834 -8.472 12.514) 15.223 24.817 ( 4.710 -6.410 -19.009) 20.607 ======================= Grid point 207 (109/125) ======================= q-point: (-0.43 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -10.858 9.637 6.311) 15.831 1.977 ( -8.355 0.466 7.246) 11.069 2.281 ( 1.741 -7.239 8.357) 11.193 2.335 ( -4.865 -6.550 -2.800) 8.627 2.448 ( 2.416 2.456 1.040) 3.598 2.505 ( -2.004 1.677 -3.487) 4.358 2.637 ( 5.468 6.883 -7.170) 11.344 2.705 ( 10.605 -2.176 -7.253) 13.030 3.073 ( -7.168 3.365 1.611) 8.081 3.202 ( 6.879 9.486 6.545) 13.422 3.664 ( -8.729 -8.334 7.132) 14.019 3.775 ( 3.577 -12.299 4.559) 13.595 3.954 ( -5.088 4.147 11.129) 12.921 3.997 ( -5.109 3.708 4.323) 7.651 4.093 ( -1.877 0.146 10.113) 10.287 4.298 ( 3.253 -1.328 -10.428) 11.004 4.490 ( -4.455 4.494 14.839) 16.132 4.751 ( 1.817 3.325 -9.075) 9.834 4.933 ( -8.480 9.234 6.953) 14.336 5.111 ( -1.080 2.108 11.763) 12.000 5.208 ( 1.712 8.017 -7.267) 10.955 5.309 ( 1.158 2.965 -7.947) 8.561 5.361 ( 0.135 1.452 -9.537) 9.648 5.460 ( 5.852 -4.384 -6.685) 9.908 6.480 ( -7.747 0.282 6.324) 10.004 6.608 ( -5.523 -1.080 -2.495) 6.156 6.899 ( -0.109 -0.696 7.227) 7.261 6.964 ( -1.500 -0.924 2.575) 3.120 7.428 ( 3.250 -0.803 2.266) 4.042 7.500 ( 4.930 -1.238 -4.362) 6.698 7.753 ( 4.014 4.996 6.944) 9.449 7.871 ( 1.504 6.130 -9.639) 11.522 8.139 ( -2.605 8.315 1.939) 8.926 8.261 ( 3.527 6.367 -3.449) 8.055 8.503 ( -8.803 6.050 -3.266) 11.170 8.738 ( 12.975 7.069 -3.164) 15.111 9.134 ( -3.603 1.945 3.364) 5.299 9.182 ( -7.615 2.997 7.083) 10.823 9.391 ( 5.046 6.856 -4.233) 9.508 9.493 ( 8.208 6.163 -1.466) 10.369 9.611 ( 1.346 15.311 15.987) 22.177 9.827 ( -2.417 13.777 -16.090) 21.319 10.388 ( -6.724 -6.535 -4.314) 10.321 10.515 ( 9.893 -5.863 1.693) 11.624 11.128 ( -1.225 2.978 11.293) 11.743 11.347 ( 3.003 4.656 -10.690) 12.040 11.703 ( -12.240 -1.533 4.736) 13.213 11.962 ( 7.527 0.359 -1.982) 7.792 11.997 ( 8.192 -10.265 15.025) 19.956 12.143 ( -0.745 -6.569 -11.895) 13.608 12.905 ( -3.158 -0.872 9.413) 9.967 13.092 ( -0.776 -0.706 -9.703) 9.759 13.369 ( -13.541 -3.226 4.095) 14.510 13.655 ( 11.675 -0.882 -2.086) 11.893 14.292 ( -0.432 -11.796 13.288) 17.773 14.578 ( 9.419 -13.855 -9.550) 19.284 15.474 ( -12.650 2.797 1.995) 13.108 15.680 ( 6.051 1.977 -1.916) 6.648 15.842 ( -11.786 2.566 -2.268) 12.274 16.026 ( 6.855 0.770 -1.937) 7.165 17.275 ( -3.987 -3.894 24.418) 25.046 17.618 ( -8.044 2.709 -4.685) 9.695 17.853 ( 8.088 -1.761 1.689) 8.448 17.983 ( 5.263 -6.861 7.431) 11.401 18.096 ( 5.157 -1.291 -5.984) 8.004 18.204 ( 1.993 -9.167 -11.501) 14.842 19.447 ( -10.696 -9.719 20.534) 25.110 19.930 ( 3.731 -12.291 -24.218) 27.413 23.232 ( -2.587 10.641 30.226) 32.149 23.776 ( 6.303 7.199 -29.563) 31.073 24.510 ( -3.741 -8.267 12.991) 15.846 24.821 ( 3.122 -6.820 -19.137) 20.554 ======================= Grid point 208 (110/125) ======================= q-point: (-0.29 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -15.887 11.398 5.068) 20.199 1.902 ( -5.628 2.111 17.342) 18.354 2.122 ( -11.871 -6.059 -6.315) 14.749 2.332 ( -1.444 -2.483 6.588) 7.187 2.445 ( -2.178 -0.280 -6.019) 6.407 2.513 ( -4.440 3.061 -3.593) 6.481 2.644 ( 6.670 7.914 -4.849) 11.429 2.892 ( 11.551 -4.848 -8.101) 14.918 3.109 ( 7.950 -2.376 1.282) 8.396 3.331 ( 1.727 11.386 13.165) 17.491 3.496 ( -7.794 -8.461 2.183) 11.709 3.761 ( -7.208 -6.808 0.003) 9.915 3.878 ( -7.136 2.439 14.188) 16.068 3.953 ( 0.032 -1.222 3.148) 3.377 4.085 ( -2.795 -2.085 10.396) 10.965 4.325 ( 1.918 0.635 -5.970) 6.303 4.445 ( -4.071 2.988 8.685) 10.046 4.643 ( -9.320 0.919 1.289) 9.454 4.846 ( -3.467 7.810 -1.582) 8.690 5.113 ( -4.759 -3.304 -0.992) 5.878 5.164 ( -0.832 6.942 6.498) 9.545 5.310 ( -1.464 2.391 -7.452) 7.962 5.345 ( 5.721 6.710 -14.744) 17.180 5.585 ( 6.486 -2.181 -0.426) 6.856 6.320 ( -10.039 -0.187 5.731) 11.561 6.460 ( -8.254 -0.861 1.044) 8.364 6.885 ( -2.781 1.817 2.097) 3.928 6.951 ( -2.099 0.295 5.136) 5.556 7.530 ( 4.350 1.649 4.641) 6.571 7.616 ( 8.310 -1.610 -5.306) 9.990 7.828 ( 1.810 5.493 -8.716) 10.461 7.897 ( 5.412 3.727 3.270) 7.340 8.170 ( 3.926 5.870 0.879) 7.116 8.297 ( 0.260 9.851 0.786) 9.886 8.413 ( 1.951 -1.566 -2.428) 3.486 8.876 ( -0.013 9.138 1.449) 9.253 9.112 ( 0.770 -1.176 -0.466) 1.481 9.152 ( 2.343 2.005 11.107) 11.527 9.387 ( -2.441 3.681 -7.651) 8.834 9.637 ( 2.364 2.122 1.151) 3.379 9.744 ( 1.867 15.373 -3.334) 15.841 9.806 ( 12.574 15.190 5.519) 20.477 10.245 ( -1.743 -1.253 -8.800) 9.059 10.721 ( 8.007 -4.577 3.840) 9.991 11.163 ( 0.247 -1.506 7.913) 8.059 11.251 ( -6.106 7.362 -12.129) 15.447 11.633 ( 2.566 -2.513 7.958) 8.731 11.925 ( -7.475 1.183 -2.692) 8.033 12.150 ( 3.491 -1.005 -6.073) 7.076 12.258 ( 8.763 -8.976 6.666) 14.205 12.819 ( -7.260 -1.877 -2.091) 7.785 13.063 ( -10.838 -2.271 3.120) 11.505 13.106 ( -0.130 -2.243 -0.476) 2.297 13.884 ( 13.763 5.448 -6.774) 16.278 14.403 ( 4.385 -7.701 15.160) 17.560 14.792 ( 14.877 -12.461 -5.534) 20.180 15.174 ( -17.752 2.306 1.407) 17.956 15.555 ( -12.532 3.691 -6.379) 14.538 15.815 ( 2.939 0.416 4.222) 5.161 16.062 ( -1.952 -1.680 -1.600) 3.032 17.242 ( -3.781 -3.238 9.693) 10.896 17.452 ( -9.817 -0.022 6.831) 11.960 17.923 ( -4.544 -9.109 -7.381) 12.574 18.057 ( 9.031 -1.886 -4.613) 10.315 18.260 ( 13.336 -1.199 -8.231) 15.718 18.398 ( 16.318 -7.048 6.289) 18.855 19.289 ( -14.051 -8.612 22.255) 27.693 19.867 ( -1.979 -13.194 -19.745) 23.830 23.327 ( 0.527 8.765 29.903) 31.166 23.824 ( 9.884 6.511 -28.331) 30.704 24.470 ( -5.556 -7.673 13.437) 16.441 24.797 ( 1.929 -7.062 -19.284) 20.626 ======================= Grid point 209 (111/125) ======================= q-point: (-0.14 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -8.821 12.236 9.192) 17.664 1.845 ( -11.891 0.311 -3.759) 12.475 1.912 ( -2.770 3.523 15.044) 15.698 2.300 ( -2.916 -2.362 4.001) 5.485 2.378 ( -2.740 2.578 -12.460) 13.015 2.387 ( -3.337 0.277 -2.003) 3.902 2.800 ( 7.848 0.645 0.661) 7.902 3.030 ( 4.224 -3.388 -6.729) 8.638 3.256 ( 4.216 -2.916 3.032) 5.955 3.337 ( 0.493 5.361 7.379) 9.134 3.487 ( 1.956 -3.806 6.544) 7.819 3.619 ( -7.006 -9.114 -0.080) 11.496 3.754 ( -8.425 3.256 11.067) 14.285 4.003 ( 2.935 -5.240 -1.800) 6.270 4.070 ( -2.173 -3.318 10.388) 11.119 4.308 ( -2.159 0.084 -2.510) 3.312 4.426 ( -1.291 2.364 9.087) 9.478 4.494 ( -7.262 2.176 7.681) 10.792 4.761 ( -3.725 6.308 -3.085) 7.949 5.007 ( -4.653 2.561 -4.019) 6.660 5.132 ( -3.762 2.017 -4.495) 6.199 5.276 ( 1.054 0.004 -7.768) 7.840 5.409 ( 5.178 5.218 -4.903) 8.836 5.654 ( 0.637 1.621 -2.025) 2.671 6.207 ( -3.420 1.034 6.669) 7.566 6.334 ( -5.298 0.132 1.884) 5.625 6.835 ( -3.875 1.701 6.922) 8.113 6.936 ( 0.732 -0.554 -2.880) 3.022 7.570 ( -2.037 3.203 6.059) 7.150 7.719 ( 5.056 1.277 -9.245) 10.614 7.897 ( 7.816 4.705 -3.931) 9.934 7.991 ( 3.298 3.404 0.425) 4.759 8.223 ( 1.675 3.177 -0.512) 3.628 8.302 ( -0.867 8.090 2.086) 8.399 8.539 ( 9.460 -4.676 3.789) 11.212 8.860 ( -1.164 8.239 4.962) 9.688 9.053 ( -6.316 -4.629 3.847) 8.725 9.275 ( -3.901 -0.187 -6.045) 7.197 9.302 ( 4.699 4.752 2.967) 7.311 9.598 ( -2.191 -2.869 -8.881) 9.586 9.812 ( 3.517 12.039 6.563) 14.156 9.998 ( 3.761 10.274 -5.506) 12.248 10.392 ( 18.180 10.142 4.887) 21.384 10.868 ( 9.044 0.453 0.625) 9.077 11.027 ( -8.133 1.673 -6.541) 10.570 11.290 ( 3.182 1.492 10.574) 11.142 11.685 ( -13.577 1.292 -4.409) 14.333 11.739 ( 1.845 0.439 -1.950) 2.720 12.150 ( -2.440 -0.841 1.114) 2.811 12.346 ( 0.916 -6.153 0.282) 6.227 12.670 ( -5.923 -4.678 -4.312) 8.692 12.772 ( -12.971 -1.988 1.556) 13.214 13.375 ( 18.991 6.464 3.418) 20.350 14.027 ( 1.027 12.951 -12.464) 18.004 14.522 ( 3.814 -3.505 14.740) 15.623 14.872 ( -13.478 -1.878 2.997) 13.934 15.050 ( 13.241 -6.452 -2.291) 14.907 15.376 ( -4.575 0.387 -2.283) 5.128 15.832 ( -0.688 -3.474 -0.438) 3.568 15.966 ( -7.312 -2.073 -0.318) 7.607 17.229 ( -2.234 -4.795 9.323) 10.719 17.314 ( -6.441 -1.214 6.057) 8.925 17.877 ( 3.258 -8.431 -7.449) 11.712 18.093 ( -2.771 -4.140 -4.099) 6.452 18.503 ( 14.306 -4.909 -5.787) 16.194 18.733 ( 13.088 -2.773 -1.242) 13.436 19.124 ( -9.356 -7.907 24.471) 27.366 19.723 ( -5.424 -13.385 -16.946) 22.265 23.443 ( -0.354 5.745 28.183) 28.765 23.921 ( 10.324 4.769 -26.842) 29.152 24.413 ( -5.266 -6.902 14.264) 16.698 24.758 ( 1.668 -6.938 -19.663) 20.917 ======================= Grid point 210 (112/125) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -1.049 11.024 7.002) 13.102 1.757 ( -0.384 7.344 -7.301) 10.363 2.052 ( 2.204 1.753 12.555) 12.867 2.244 ( -2.279 -4.894 -6.637) 8.555 2.293 ( 0.925 2.447 5.604) 6.184 2.397 ( -0.088 2.611 -5.979) 6.525 2.829 ( 1.059 -3.226 5.926) 6.830 2.927 ( -5.379 -4.719 -3.102) 7.799 3.083 ( 0.537 -15.944 2.536) 16.153 3.166 ( 1.976 -14.120 -4.932) 15.087 3.491 ( -8.327 7.654 11.931) 16.440 3.603 ( 3.496 4.803 0.032) 5.941 3.873 ( -0.015 -0.608 3.513) 3.566 3.933 ( -0.221 2.731 2.675) 3.829 4.067 ( 8.472 -0.680 -1.539) 8.637 4.091 ( -7.613 -9.526 -0.701) 12.214 4.537 ( -1.256 6.859 14.533) 16.120 4.610 ( 0.714 7.425 4.538) 8.732 4.868 ( 1.062 3.666 10.394) 11.073 4.905 ( -6.811 -2.130 1.862) 7.375 5.157 ( -0.214 6.796 -10.918) 12.862 5.295 ( 5.224 6.409 -15.366) 17.450 5.539 ( 1.083 0.895 3.399) 3.678 5.677 ( -1.190 1.731 -7.865) 8.141 6.253 ( 2.791 0.459 6.423) 7.018 6.304 ( 0.830 -0.090 2.060) 2.223 6.809 ( -4.295 1.087 6.484) 7.853 6.936 ( 3.813 -2.028 -5.766) 7.204 7.599 ( -3.954 3.224 7.713) 9.248 7.772 ( 2.134 -0.173 -7.861) 8.147 8.013 ( 0.503 0.121 1.677) 1.755 8.075 ( -1.402 0.788 -3.876) 4.197 8.345 ( -6.160 5.151 3.221) 8.651 8.382 ( 6.309 4.027 0.322) 7.492 8.639 ( 2.754 -2.851 7.974) 8.905 8.736 ( -6.852 -3.976 -3.469) 8.648 9.060 ( 1.621 0.740 1.273) 2.189 9.152 ( 2.422 -3.153 -6.918) 7.979 9.413 ( -0.979 2.885 2.687) 4.063 9.488 ( -0.595 -0.673 -4.960) 5.040 10.100 ( -1.000 11.349 10.010) 15.166 10.208 ( -0.539 9.380 -1.363) 9.494 10.921 ( 5.105 9.898 6.211) 12.751 11.022 ( -1.094 8.195 -3.784) 9.092 11.222 ( 15.963 5.487 6.664) 18.147 11.366 ( -9.822 5.328 1.598) 11.288 11.433 ( -5.117 0.646 1.188) 5.292 11.660 ( -8.374 -1.327 -12.792) 15.347 12.133 ( 3.088 -0.951 6.902) 7.621 12.252 ( 2.449 -3.625 -5.591) 7.099 12.551 ( -2.102 -0.049 5.634) 6.014 12.634 ( -0.663 -1.767 -2.704) 3.298 13.904 ( 13.289 7.483 7.549) 17.018 14.021 ( -17.262 5.919 -3.970) 18.676 14.637 ( 8.803 -2.544 1.189) 9.240 14.667 ( -2.847 -2.915 -0.843) 4.161 15.189 ( 1.627 -0.364 3.447) 3.829 15.269 ( -1.392 0.370 -4.924) 5.130 15.641 ( -10.737 -8.395 5.438) 14.675 15.749 ( 9.281 -11.487 -6.018) 15.947 17.124 ( -4.430 -0.300 17.183) 17.747 17.253 ( -0.928 -2.023 6.074) 6.469 17.826 ( 2.775 -5.764 -2.694) 6.942 17.841 ( -4.529 -4.960 -6.166) 9.118 18.608 ( -4.129 1.617 7.309) 8.549 18.776 ( 1.151 2.603 -10.816) 11.184 19.041 ( 4.695 -9.484 13.811) 17.399 19.353 ( 4.759 -12.998 -19.079) 23.572 23.612 ( -5.397 7.858 23.069) 24.961 24.057 ( 3.375 3.633 -18.854) 19.495 24.246 ( -0.345 -7.644 8.743) 11.619 24.577 ( 4.025 -8.418 -21.225) 23.186 ======================= Grid point 211 (113/125) ======================= q-point: ( 0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 4.843 5.070 7.491) 10.261 1.815 ( 8.271 9.301 -4.927) 13.387 2.121 ( 0.664 0.560 4.540) 4.622 2.226 ( 3.447 -3.813 -1.058) 5.248 2.336 ( 2.024 -0.155 0.069) 2.031 2.427 ( 4.361 3.445 -0.952) 5.639 2.769 ( -8.186 -3.742 2.016) 9.223 2.840 ( -3.307 1.373 4.692) 5.902 3.053 ( -0.883 -14.938 -0.099) 14.965 3.232 ( 0.214 -9.225 -2.062) 9.455 3.433 ( 0.559 4.145 10.433) 11.240 3.686 ( 1.740 3.801 6.774) 7.960 3.867 ( 1.708 -4.510 2.031) 5.232 3.911 ( -3.685 -1.692 0.205) 4.060 4.117 ( 9.571 0.390 -4.131) 10.432 4.201 ( 3.641 -0.531 3.448) 5.043 4.515 ( -3.854 10.143 9.925) 14.705 4.697 ( 4.841 5.597 5.419) 9.172 4.827 ( -0.774 -5.372 2.708) 6.066 4.972 ( 5.229 1.079 10.979) 12.209 5.167 ( 4.701 10.962 -9.755) 15.409 5.334 ( 4.373 4.619 -14.586) 15.913 5.537 ( -3.494 -1.253 6.520) 7.503 5.617 ( -0.893 3.051 -10.171) 10.657 6.348 ( 5.456 0.392 2.620) 6.066 6.367 ( 5.217 -0.008 -3.679) 6.384 6.774 ( -1.512 1.009 6.135) 6.399 6.999 ( 4.206 -2.222 -3.924) 6.167 7.533 ( -6.386 2.105 10.006) 12.055 7.733 ( -3.471 -0.656 -6.611) 7.496 7.927 ( -6.981 3.215 -0.101) 7.687 8.067 ( -0.358 -0.574 -1.351) 1.511 8.234 ( -5.087 2.169 3.486) 6.537 8.497 ( 1.030 1.730 0.615) 2.105 8.606 ( -0.348 4.034 -1.623) 4.363 8.724 ( 0.363 -5.524 9.127) 10.674 9.038 ( 0.517 -0.767 -3.292) 3.420 9.270 ( 7.816 -3.769 -6.947) 11.115 9.377 ( -1.119 4.162 1.249) 4.488 9.505 ( 1.169 0.875 1.349) 1.988 10.068 ( -5.783 11.069 8.444) 15.076 10.166 ( -3.301 10.809 -0.789) 11.330 10.813 ( -17.128 13.526 -8.368) 23.374 11.007 ( -4.335 11.733 3.228) 12.918 11.046 ( -2.905 2.436 -7.505) 8.408 11.474 ( -2.492 -0.422 -3.293) 4.151 11.503 ( 4.047 -1.733 8.326) 9.418 11.570 ( 3.429 -1.042 12.399) 12.906 12.241 ( 5.744 -2.567 -2.046) 6.616 12.258 ( -0.031 0.121 -5.966) 5.968 12.564 ( 3.941 1.009 4.642) 6.172 12.723 ( 9.834 -3.096 2.237) 10.550 13.611 ( -22.282 7.511 -5.600) 24.172 13.971 ( -8.034 5.733 12.336) 15.798 14.609 ( -5.873 -12.238 -9.444) 16.537 14.681 ( -7.490 -9.359 2.618) 12.270 15.142 ( 5.002 7.664 -3.046) 9.645 15.355 ( 6.057 3.108 2.495) 7.251 15.624 ( 6.987 -6.414 5.092) 10.765 15.939 ( 10.124 -9.348 -5.375) 14.791 17.107 ( -4.363 1.551 18.647) 19.213 17.292 ( 2.469 -5.131 7.356) 9.303 17.706 ( -3.931 -1.841 -1.251) 4.517 17.947 ( 6.596 -8.325 -1.527) 10.731 18.399 ( -14.591 3.721 1.044) 15.094 18.693 ( -10.843 -0.604 -3.012) 11.270 19.153 ( 6.423 -8.183 4.594) 11.372 19.482 ( 12.474 -12.959 -20.861) 27.545 23.563 ( -8.335 9.132 23.240) 26.324 24.036 ( 1.647 3.768 -17.444) 17.922 24.277 ( 0.247 -8.212 6.855) 10.700 24.594 ( 5.834 -8.467 -20.994) 23.377 ======================= Grid point 212 (114/125) ======================= q-point: ( 0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 5.639 0.310 7.162) 9.121 1.967 ( 7.329 5.326 -1.575) 9.196 2.138 ( 2.300 -2.011 -5.190) 6.023 2.319 ( 1.324 -4.282 4.207) 6.147 2.367 ( 3.629 -1.492 -1.246) 4.116 2.515 ( 2.881 0.689 -0.109) 2.964 2.669 ( -1.195 0.900 2.921) 3.282 2.788 ( -3.185 9.151 3.057) 10.161 3.081 ( 1.704 -7.309 7.843) 10.855 3.158 ( -3.128 -4.340 -1.630) 5.593 3.560 ( 5.803 -2.972 7.659) 10.058 3.690 ( -2.799 5.644 7.391) 9.712 3.869 ( -0.504 -0.245 2.844) 2.899 3.973 ( 5.942 -5.496 2.764) 8.553 4.172 ( -1.395 -2.919 -1.824) 3.714 4.285 ( 1.427 5.515 3.304) 6.585 4.527 ( 2.880 8.915 9.861) 13.602 4.778 ( 3.400 6.422 -2.245) 7.605 4.935 ( 8.599 -5.664 5.500) 11.674 5.090 ( 2.051 -1.504 9.282) 9.624 5.230 ( 5.415 11.328 -9.328) 15.641 5.350 ( 1.304 5.297 -8.429) 10.040 5.466 ( -5.082 -3.552 3.360) 7.052 5.579 ( 0.807 4.021 -12.618) 13.268 6.427 ( 3.624 -0.375 -0.149) 3.646 6.491 ( 8.762 -0.327 -5.514) 10.358 6.794 ( 0.183 1.225 7.462) 7.564 7.039 ( -0.223 -2.937 -0.571) 3.000 7.442 ( -5.414 -0.537 5.655) 7.847 7.590 ( -8.802 -2.387 -3.658) 9.826 7.837 ( -2.506 6.032 1.756) 6.763 8.021 ( -3.201 1.422 -2.619) 4.374 8.209 ( 0.529 1.175 6.742) 6.864 8.449 ( -2.018 5.521 -1.798) 6.147 8.653 ( 2.646 10.434 -5.476) 12.077 8.753 ( -0.461 -8.727 9.578) 12.966 9.090 ( 5.218 -1.944 -0.277) 5.576 9.315 ( 2.442 -4.606 -9.855) 11.149 9.412 ( 0.487 3.856 4.805) 6.180 9.508 ( -2.081 8.123 4.935) 9.730 10.026 ( 1.212 5.344 7.288) 9.118 10.072 ( -6.904 12.147 -0.035) 13.972 10.464 ( -13.428 13.410 -10.698) 21.785 10.810 ( -10.689 2.117 -10.762) 15.315 11.115 ( 3.733 6.210 5.881) 9.331 11.412 ( -0.503 3.837 -3.839) 5.451 11.547 ( -5.995 -6.223 6.889) 11.051 11.660 ( 4.960 -1.254 14.999) 15.848 12.199 ( -4.939 1.516 -1.549) 5.394 12.258 ( -2.710 -4.938 -6.768) 8.806 12.731 ( 9.092 2.287 4.919) 10.587 13.009 ( 18.295 -3.381 2.215) 18.736 13.234 ( -12.543 5.454 -7.822) 15.756 13.795 ( -13.741 3.076 11.238) 18.016 14.348 ( -15.960 -18.482 -5.873) 25.116 14.460 ( -13.458 -11.918 -0.210) 17.978 15.309 ( 10.714 6.460 0.121) 12.511 15.584 ( 15.249 8.394 1.275) 17.453 15.799 ( 8.058 -5.074 2.018) 9.734 16.028 ( 1.117 -5.230 -5.155) 7.428 17.108 ( -2.890 2.429 21.976) 22.298 17.397 ( 5.417 -9.140 9.188) 14.047 17.692 ( 1.422 0.719 2.952) 3.354 18.033 ( 2.550 -5.672 -4.947) 7.946 18.141 ( -11.283 2.913 -0.213) 11.655 18.418 ( -14.629 -2.518 -7.061) 16.438 19.278 ( 3.596 -8.265 7.019) 11.424 19.601 ( 8.660 -13.614 -23.161) 28.227 23.491 ( -7.963 11.477 23.949) 27.725 23.996 ( 1.843 6.174 -21.353) 22.304 24.302 ( -0.871 -9.847 9.844) 13.951 24.630 ( 5.840 -9.153 -20.768) 23.435 ======================= Grid point 213 (115/125) ======================= q-point: ( 0.43 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 4.096 -4.592 7.457) 9.668 2.024 ( -1.208 1.504 3.143) 3.688 2.175 ( 3.873 -4.023 -5.389) 7.760 2.257 ( -6.811 -6.335 0.308) 9.307 2.473 ( 5.934 0.278 0.424) 5.956 2.558 ( 3.118 2.070 -2.599) 4.556 2.672 ( 1.190 1.677 -2.446) 3.195 2.731 ( -6.592 11.166 4.119) 13.604 3.160 ( 7.827 3.611 4.721) 9.828 3.206 ( 2.144 -5.595 7.327) 9.465 3.595 ( -4.639 -2.913 7.948) 9.652 3.659 ( -1.387 8.029 -2.192) 8.438 3.945 ( 5.300 -0.044 9.241) 10.653 4.044 ( -1.166 -3.190 10.737) 11.262 4.174 ( 2.679 -7.690 -3.318) 8.793 4.236 ( -5.002 5.958 -0.914) 7.832 4.634 ( 1.226 9.163 12.479) 15.530 4.828 ( 3.146 5.824 -5.542) 8.633 5.063 ( -1.792 -3.946 10.551) 11.407 5.149 ( 5.988 -3.216 1.031) 6.875 5.260 ( -7.662 5.146 9.239) 13.060 5.330 ( 7.140 9.285 -14.470) 18.616 5.414 ( -0.176 -0.933 -6.768) 6.835 5.532 ( -0.887 4.839 -13.538) 14.404 6.509 ( 2.481 -0.462 5.029) 5.627 6.612 ( 4.553 -1.323 -4.395) 6.466 6.809 ( -0.320 -0.808 6.352) 6.411 6.964 ( -5.652 -4.371 -0.011) 7.145 7.415 ( 1.461 -1.546 -1.687) 2.715 7.434 ( -6.058 -1.477 -0.355) 6.245 7.832 ( 0.182 6.544 5.359) 8.460 7.962 ( -1.321 2.125 -3.069) 3.960 8.281 ( 3.384 4.250 7.137) 8.969 8.425 ( -0.456 9.448 -3.556) 10.105 8.677 ( 3.272 5.044 -4.051) 7.250 8.747 ( -2.261 -1.188 -0.481) 2.599 9.189 ( 2.511 3.000 1.816) 4.313 9.292 ( -3.037 -3.615 -0.958) 4.817 9.419 ( 0.701 4.224 8.909) 9.884 9.526 ( 3.669 8.280 -3.510) 9.713 9.933 ( -6.276 14.169 6.072) 16.644 10.170 ( 9.043 -1.310 6.284) 11.089 10.253 ( -5.481 12.299 -13.304) 18.929 10.542 ( -12.485 -3.106 -10.930) 16.881 11.182 ( -0.297 2.843 8.957) 9.402 11.358 ( -2.652 -1.527 -5.175) 6.012 11.567 ( 7.470 0.081 9.210) 11.859 11.818 ( 5.270 -0.274 12.500) 13.568 12.035 ( -10.692 0.232 -6.324) 12.424 12.137 ( -5.401 -3.422 -7.002) 9.482 12.859 ( 2.025 0.559 8.702) 8.952 13.113 ( 0.488 -0.337 -9.882) 9.900 13.361 ( 16.928 -0.627 0.774) 16.958 13.575 ( -12.962 1.876 7.322) 15.005 14.084 ( -10.144 -15.527 5.543) 19.358 14.241 ( -5.979 -16.356 -8.048) 19.184 15.511 ( 9.041 5.339 5.655) 11.926 15.789 ( 1.623 4.977 -5.630) 7.688 15.916 ( 7.141 0.267 -2.470) 7.561 15.980 ( -3.530 -2.810 0.069) 4.512 17.167 ( -1.098 0.635 27.115) 27.144 17.545 ( 5.099 -12.742 11.819) 18.112 17.731 ( 2.109 1.047 -4.359) 4.955 17.940 ( -5.944 5.793 2.908) 8.795 18.077 ( 0.435 -4.362 -5.813) 7.280 18.157 ( -7.112 -2.153 -12.964) 14.942 19.318 ( -3.229 -8.861 12.330) 15.523 19.648 ( 5.908 -14.642 -24.218) 28.911 23.453 ( -5.361 13.068 24.666) 28.424 23.958 ( 3.313 8.541 -24.870) 26.504 24.315 ( -2.169 -10.986 12.761) 16.977 24.653 ( 4.605 -9.789 -20.842) 23.482 ======================= Grid point 214 (116/125) ======================= q-point: (-0.43 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -5.352 -2.058 8.237) 10.036 2.049 ( -0.555 3.264 3.330) 4.696 2.114 ( -6.273 -7.180 -1.824) 9.707 2.242 ( 3.312 -4.146 0.119) 5.308 2.497 ( -4.019 2.260 2.913) 5.453 2.525 ( -3.807 0.673 -3.309) 5.088 2.683 ( 4.300 0.538 -3.171) 5.370 2.783 ( 7.716 3.383 -2.513) 8.792 3.145 ( -7.897 3.028 4.987) 9.819 3.339 ( 4.102 -1.677 -2.406) 5.043 3.527 ( -3.514 4.436 10.382) 11.824 3.662 ( 2.422 2.996 0.443) 3.878 4.016 ( -6.264 -1.842 12.453) 14.061 4.031 ( -1.926 -0.379 7.844) 8.086 4.119 ( -3.451 2.153 -5.509) 6.848 4.255 ( 5.413 -3.723 -1.641) 6.771 4.628 ( -6.596 8.421 14.317) 17.872 4.815 ( -3.225 2.317 -4.611) 6.086 5.015 ( -6.386 -1.568 9.617) 11.650 5.142 ( -5.125 5.706 5.895) 9.673 5.259 ( 2.921 -2.368 2.768) 4.669 5.399 ( 2.716 2.808 -11.199) 11.861 5.430 ( 3.620 4.995 -4.295) 7.517 5.472 ( 2.824 5.103 -13.700) 14.889 6.464 ( -9.205 -1.363 7.345) 11.855 6.564 ( -7.649 -3.223 2.057) 8.552 6.892 ( 5.400 -0.162 3.013) 6.186 6.935 ( 2.044 -1.716 -1.959) 3.311 7.386 ( 1.884 -2.368 0.639) 3.093 7.453 ( 3.325 -3.223 -2.135) 5.099 7.877 ( 2.534 6.357 5.606) 8.847 7.951 ( 1.193 2.236 -5.447) 6.007 8.330 ( -1.020 9.419 3.231) 10.010 8.414 ( 1.642 9.499 -2.603) 9.985 8.630 ( -5.542 4.477 -2.502) 7.551 8.815 ( 8.997 1.039 -6.047) 10.890 9.141 ( -5.937 0.308 6.469) 8.786 9.221 ( -6.658 0.017 3.352) 7.454 9.481 ( 2.429 3.924 0.469) 4.639 9.630 ( 9.288 6.336 -7.656) 13.603 9.946 ( 1.678 14.863 15.949) 21.865 10.099 ( -5.373 10.852 -10.836) 16.250 10.287 ( -2.991 -3.559 -2.399) 5.231 10.422 ( 8.742 -3.299 -1.170) 9.417 11.155 ( -3.449 0.667 8.137) 8.863 11.409 ( 8.900 -0.959 -5.704) 10.614 11.696 ( -13.465 0.747 -2.549) 13.725 11.829 ( 12.172 0.673 12.830) 17.698 11.993 ( -0.664 -1.266 -2.007) 2.464 12.065 ( 4.820 -1.119 -3.699) 6.178 12.897 ( -2.542 -0.107 10.686) 10.984 13.042 ( -3.322 -3.892 -7.928) 9.437 13.340 ( -14.957 0.761 2.606) 15.201 13.671 ( 17.112 2.905 -1.646) 17.435 13.999 ( -1.366 -16.584 9.166) 18.997 14.280 ( 12.265 -14.888 -7.674) 20.759 15.575 ( -10.231 6.856 1.669) 12.428 15.730 ( 3.127 3.039 -2.347) 4.952 15.874 ( -8.406 0.288 1.233) 8.501 16.021 ( 2.508 -1.784 -3.227) 4.459 17.210 ( -5.392 -1.978 25.810) 26.441 17.557 ( -7.345 -9.641 1.964) 12.278 17.824 ( 10.251 -0.038 -1.952) 10.435 17.920 ( -0.747 3.425 9.370) 10.004 18.027 ( 3.987 -7.538 -15.254) 17.476 18.144 ( 6.367 2.871 -7.540) 10.278 19.256 ( -8.366 -8.041 15.261) 19.172 19.647 ( 2.545 -15.245 -20.996) 26.071 23.471 ( -2.538 12.980 24.793) 28.100 23.947 ( 5.673 9.506 -26.506) 28.724 24.311 ( -3.623 -11.215 14.410) 18.616 24.650 ( 3.287 -10.024 -20.954) 23.460 ======================= Grid point 215 (117/125) ======================= q-point: (-0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -8.172 6.622 4.935) 11.619 1.968 ( -4.896 4.484 8.887) 11.093 2.008 ( -6.338 -1.631 -5.753) 8.713 2.276 ( -0.467 -4.019 6.304) 7.491 2.429 ( -4.526 -1.326 -3.397) 5.812 2.518 ( 3.648 -2.588 -1.201) 4.631 2.719 ( -4.248 -2.102 -1.419) 4.947 2.828 ( 4.227 0.025 -3.144) 5.268 3.130 ( 5.086 -0.178 1.136) 5.214 3.241 ( -8.005 -9.361 -5.625) 13.541 3.585 ( 0.960 12.719 13.419) 18.514 3.674 ( -2.492 1.659 -2.233) 3.735 3.901 ( -6.702 -2.934 4.142) 8.407 3.997 ( -3.387 1.455 6.501) 7.474 4.057 ( -3.094 0.094 -0.018) 3.096 4.322 ( 0.290 -2.328 1.117) 2.599 4.533 ( -6.914 4.977 10.645) 13.634 4.705 ( -6.778 4.389 3.227) 8.696 4.912 ( -6.979 -0.119 9.767) 12.005 5.104 ( -1.463 5.358 -2.743) 6.195 5.273 ( -1.584 -0.737 2.596) 3.129 5.366 ( -2.856 5.637 -8.858) 10.881 5.439 ( 3.804 3.148 -8.852) 10.137 5.583 ( 7.942 1.095 -5.010) 9.454 6.303 ( -8.907 -0.859 7.513) 11.684 6.428 ( -7.346 -2.661 4.157) 8.850 6.921 ( -1.483 1.410 -3.452) 4.013 6.953 ( -2.085 0.249 6.303) 6.643 7.505 ( 8.275 -3.218 0.312) 8.884 7.553 ( 8.301 -4.220 -1.714) 9.469 7.932 ( 1.728 4.526 -6.791) 8.342 7.980 ( 4.007 4.235 3.611) 6.858 8.318 ( -0.505 8.907 -3.099) 9.444 8.427 ( 0.996 4.914 -0.789) 5.076 8.546 ( -2.939 11.026 2.610) 11.705 8.910 ( 1.769 -3.843 -4.419) 6.118 9.060 ( -4.604 -4.288 3.560) 7.229 9.159 ( 0.229 -1.036 2.606) 2.814 9.467 ( -3.208 3.138 -1.628) 4.774 9.684 ( -2.277 1.571 -7.069) 7.591 10.027 ( -0.680 12.114 2.928) 12.482 10.087 ( 8.267 10.528 1.921) 13.523 10.311 ( 9.442 7.192 2.165) 12.065 10.632 ( 10.449 -3.826 6.640) 12.958 11.155 ( 0.138 2.173 2.756) 3.513 11.437 ( -8.302 9.084 -5.826) 13.616 11.597 ( 8.847 -1.412 1.730) 9.125 11.913 ( -3.198 -2.097 -11.323) 11.951 12.083 ( 6.990 -4.693 11.879) 14.560 12.176 ( 3.984 0.487 -0.281) 4.024 12.790 ( -9.687 -0.619 0.187) 9.709 13.005 ( -13.142 -3.486 1.959) 13.737 13.121 ( 7.500 4.405 3.335) 9.315 13.985 ( 17.292 3.714 -8.247) 19.515 14.132 ( 10.213 -17.407 13.109) 24.065 14.534 ( 15.236 -11.660 -4.926) 19.808 15.307 ( -15.648 9.373 0.259) 18.242 15.636 ( -11.966 4.064 -3.949) 13.240 15.798 ( -2.008 -1.812 2.150) 3.455 15.986 ( -4.625 -6.381 -0.932) 7.936 17.180 ( -5.565 -2.181 18.650) 19.584 17.399 ( -8.596 -5.027 2.778) 10.338 17.835 ( -4.426 0.785 -4.121) 6.098 18.020 ( 6.356 -2.282 -5.935) 8.991 18.181 ( 12.235 -4.403 -4.958) 13.916 18.338 ( 17.261 -0.976 0.178) 17.289 19.131 ( -10.681 -5.673 15.559) 19.707 19.582 ( -2.340 -14.635 -15.918) 21.750 23.530 ( -1.051 11.259 24.216) 26.726 23.978 ( 7.836 8.643 -26.472) 28.929 24.284 ( -4.917 -10.559 15.017) 19.005 24.626 ( 2.461 -9.764 -20.977) 23.269 ======================= Grid point 216 (118/125) ======================= q-point: (-0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -8.565 13.424 4.807) 16.633 1.859 ( -6.288 2.307 -7.404) 9.984 1.976 ( 0.481 2.685 12.558) 12.851 2.276 ( -1.411 -0.645 5.661) 5.870 2.330 ( -4.131 -3.156 -5.292) 7.418 2.467 ( -4.997 2.002 -4.213) 6.836 2.743 ( 5.243 -4.451 3.716) 7.818 2.931 ( 6.428 -5.431 -5.359) 9.977 3.089 ( -5.083 -13.944 -1.878) 14.960 3.204 ( -0.273 -8.230 0.912) 8.285 3.582 ( -5.188 6.201 7.692) 11.160 3.605 ( -2.818 8.090 1.387) 8.678 3.844 ( -0.566 1.375 2.834) 3.201 3.962 ( -1.046 -1.019 4.135) 4.385 4.000 ( -3.027 -0.956 0.346) 3.193 4.252 ( -7.486 -5.460 0.616) 9.286 4.492 ( -1.196 3.044 10.470) 10.969 4.625 ( -3.824 8.902 7.978) 12.551 4.852 ( -2.965 2.286 9.073) 9.815 5.030 ( -5.672 2.473 -1.663) 6.407 5.237 ( -2.114 -1.016 -9.526) 9.810 5.278 ( -0.261 9.345 -9.412) 13.265 5.489 ( 3.441 2.479 -1.959) 4.671 5.682 ( 3.931 0.188 -5.917) 7.106 6.220 ( -2.937 0.488 8.840) 9.328 6.330 ( -4.569 -1.128 4.743) 6.682 6.871 ( -3.556 1.615 2.572) 4.676 6.918 ( -1.026 -1.017 -0.812) 1.657 7.611 ( 1.374 0.641 3.385) 3.709 7.704 ( 7.478 -2.730 -4.701) 9.245 7.960 ( 3.644 2.548 -2.774) 5.241 8.070 ( 3.900 3.475 -1.502) 5.436 8.293 ( 1.015 4.723 -3.157) 5.771 8.450 ( -2.954 5.815 3.514) 7.408 8.542 ( 2.951 4.474 4.971) 7.310 8.872 ( -4.799 -5.678 -1.553) 7.595 9.006 ( -0.145 -0.733 0.181) 0.768 9.185 ( 0.300 -6.219 -2.769) 6.814 9.409 ( -1.057 3.976 -1.379) 4.339 9.573 ( -5.492 -0.284 -3.917) 6.752 10.058 ( 0.738 11.323 9.785) 14.983 10.188 ( 3.662 8.281 -3.849) 9.839 10.648 ( 20.022 12.884 8.203) 25.183 10.854 ( 11.005 -0.119 7.641) 13.398 11.127 ( -2.259 6.398 -4.551) 8.170 11.344 ( -1.375 3.758 4.811) 6.258 11.732 ( -3.787 2.786 -7.392) 8.760 11.758 ( -2.675 1.584 -7.905) 8.494 12.144 ( -5.143 -0.314 3.089) 6.007 12.208 ( 2.830 -6.718 2.862) 7.832 12.610 ( -7.156 -1.039 -0.403) 7.242 12.749 ( -10.173 -1.287 -0.662) 10.276 13.493 ( 23.873 6.378 6.519) 25.555 14.182 ( 4.070 -0.030 -8.162) 9.120 14.405 ( 12.764 -5.262 9.643) 16.840 14.729 ( 2.809 -8.645 -1.595) 9.229 15.090 ( -3.044 7.313 1.949) 8.158 15.416 ( -8.675 3.537 -3.645) 10.053 15.717 ( -3.921 -7.520 -3.993) 9.373 15.853 ( -10.279 -9.238 3.009) 14.144 17.148 ( -4.786 -1.934 17.032) 17.797 17.285 ( -4.688 -1.812 4.270) 6.595 17.776 ( 0.856 -1.358 -5.784) 6.003 17.991 ( -4.932 -5.619 -6.952) 10.209 18.439 ( 14.860 -1.023 -2.584) 15.117 18.696 ( 17.781 -2.672 -1.502) 18.043 18.981 ( -10.052 -4.249 14.507) 18.153 19.451 ( -5.428 -13.343 -12.771) 19.251 23.593 ( -1.943 8.942 23.439) 25.162 24.034 ( 7.534 6.335 -24.865) 26.742 24.247 ( -4.276 -9.220 14.316) 17.556 24.595 ( 2.540 -9.091 -21.089) 23.105 ======================= Grid point 217 (119/125) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -2.630 12.195 2.679) 12.759 1.917 ( 0.718 8.372 -3.145) 8.972 2.025 ( 2.365 -4.268 5.656) 7.470 2.109 ( -3.775 -9.136 -3.438) 10.466 2.353 ( 1.067 2.573 2.900) 4.021 2.399 ( 0.700 -1.744 -2.030) 2.767 2.771 ( 2.352 -3.175 5.350) 6.651 2.789 ( -2.356 -6.484 4.902) 8.462 2.937 ( 1.066 1.609 -3.784) 4.248 2.994 ( 0.199 -3.616 -7.434) 8.269 3.597 ( -3.345 0.495 4.616) 5.722 3.613 ( -0.255 -1.793 3.068) 3.563 3.824 ( -7.455 1.978 12.242) 14.469 3.922 ( -9.875 -6.456 7.733) 14.107 4.041 ( 5.956 4.449 -1.797) 7.648 4.086 ( 7.664 0.208 -4.963) 9.133 4.647 ( 3.720 6.200 10.766) 12.968 4.737 ( 0.766 2.596 2.931) 3.990 4.838 ( -1.672 -4.130 1.253) 4.628 4.850 ( -7.788 -2.988 -1.406) 8.459 5.336 ( 0.794 10.445 -1.723) 10.616 5.483 ( 4.006 3.074 -13.176) 14.110 5.519 ( -1.048 2.424 4.323) 5.066 5.656 ( 0.951 -4.278 -8.296) 9.383 6.263 ( 2.039 0.744 6.964) 7.295 6.285 ( 0.835 -1.329 5.012) 5.252 6.839 ( -2.546 1.915 2.925) 4.325 6.887 ( 1.394 -2.691 -1.493) 3.378 7.664 ( -1.718 3.244 4.684) 5.951 7.731 ( 1.316 -3.291 -0.331) 3.560 8.031 ( -0.157 1.984 -2.276) 3.024 8.070 ( -1.908 -1.329 -5.058) 5.566 8.429 ( -6.751 2.721 2.665) 7.751 8.443 ( 1.312 1.416 1.768) 2.618 8.615 ( 0.451 0.794 2.567) 2.724 8.662 ( -1.737 -3.353 -2.417) 4.483 9.057 ( 1.630 -0.171 -1.854) 2.475 9.080 ( 4.509 -2.805 -3.879) 6.576 9.466 ( -0.842 2.054 0.871) 2.385 9.489 ( -0.957 -0.163 -1.368) 1.678 10.288 ( -0.048 6.408 9.033) 11.075 10.332 ( -0.188 2.282 4.315) 4.885 11.078 ( 5.035 5.474 4.834) 8.871 11.126 ( 4.211 1.262 0.612) 4.438 11.333 ( 8.843 4.378 7.572) 12.438 11.382 ( 3.585 -0.999 9.993) 10.664 11.537 ( -16.387 5.883 -12.126) 21.217 11.623 ( -11.850 -2.761 -13.466) 18.148 12.140 ( 3.968 1.564 2.457) 4.922 12.186 ( 5.277 -2.882 -2.254) 6.421 12.557 ( -1.198 0.950 3.307) 3.643 12.592 ( -1.962 -2.261 -0.288) 3.007 14.014 ( 7.985 3.808 6.069) 10.728 14.064 ( -6.042 -0.891 1.340) 6.253 14.607 ( 2.090 -0.425 -1.084) 2.392 14.618 ( -3.847 -1.598 -1.661) 4.485 15.238 ( 5.255 5.033 2.674) 7.752 15.302 ( -6.048 1.579 -3.962) 7.400 15.469 ( -3.030 -6.603 1.714) 7.464 15.514 ( 4.675 -9.680 -2.927) 11.141 17.157 ( -3.516 2.920 16.262) 16.892 17.214 ( -2.688 -2.310 11.337) 11.879 17.756 ( -0.495 -1.253 -2.988) 3.278 17.768 ( -3.189 -2.268 -4.952) 6.311 18.685 ( 0.232 5.758 6.543) 8.719 18.817 ( 0.506 -4.879 1.072) 5.021 18.919 ( 4.595 4.057 -5.239) 8.064 19.102 ( 3.647 -11.564 -15.945) 20.032 23.793 ( -4.591 9.895 19.668) 22.490 23.994 ( -3.816 -9.383 15.377) 18.413 24.239 ( 5.396 6.530 -22.443) 23.989 24.400 ( 4.715 -8.822 -22.652) 24.762 ======================= Grid point 218 (120/125) ======================= q-point: ( 0.14 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.590 10.488 3.329) 11.020 1.986 ( 5.046 6.406 0.626) 8.179 2.062 ( 0.444 -6.344 -2.281) 6.757 2.123 ( 4.968 -6.025 6.801) 10.356 2.349 ( -0.314 2.606 -2.220) 3.438 2.430 ( 2.268 -3.538 -2.022) 4.664 2.722 ( -3.984 0.360 1.451) 4.256 2.806 ( -0.044 -7.921 1.429) 8.049 2.938 ( 2.667 6.978 -2.259) 7.804 3.072 ( 6.662 -6.168 -2.108) 9.320 3.579 ( -0.825 6.356 9.745) 11.664 3.675 ( 4.008 -4.547 6.270) 8.721 3.760 ( -3.594 -1.836 8.208) 9.147 3.811 ( -5.076 -4.553 11.930) 13.742 4.206 ( 11.400 3.891 -3.734) 12.611 4.231 ( 7.369 1.627 -4.560) 8.817 4.673 ( -2.901 4.944 1.195) 5.855 4.725 ( -1.848 -1.840 0.642) 2.686 4.800 ( 4.604 3.422 4.279) 7.157 4.906 ( 3.989 -6.360 9.571) 12.164 5.357 ( 2.000 8.182 -1.188) 8.507 5.487 ( -0.889 -3.104 -3.152) 4.512 5.503 ( -0.129 8.277 -4.888) 9.613 5.629 ( 0.362 -2.554 -10.138) 10.461 6.345 ( 4.278 -0.426 2.490) 4.969 6.349 ( 4.798 -1.001 -0.426) 4.919 6.832 ( 0.484 4.427 3.643) 5.753 6.929 ( 2.810 -4.573 0.083) 5.369 7.591 ( -7.265 3.717 4.105) 9.135 7.677 ( -6.179 -4.363 -2.243) 7.890 7.991 ( -2.728 3.126 -0.714) 4.210 8.041 ( -0.789 -1.740 0.655) 2.020 8.310 ( -5.975 5.228 5.200) 9.490 8.434 ( -2.597 -6.358 7.625) 10.262 8.659 ( 1.620 1.974 -0.557) 2.614 8.689 ( 4.141 -0.338 1.837) 4.542 9.061 ( 1.644 3.223 -6.564) 7.495 9.158 ( 4.764 -5.914 -7.308) 10.540 9.460 ( 0.768 3.523 1.585) 3.939 9.508 ( 1.996 -1.082 1.965) 3.003 10.263 ( -5.558 6.852 5.691) 10.499 10.308 ( -3.703 2.647 2.938) 5.418 11.041 ( -13.136 7.343 -9.322) 17.702 11.090 ( -8.048 1.173 -11.583) 14.153 11.217 ( -3.412 10.028 2.154) 10.809 11.404 ( -3.823 -6.796 -1.644) 7.969 11.500 ( 2.600 0.712 12.976) 13.253 11.533 ( 2.103 -2.225 13.154) 13.505 12.226 ( 3.412 1.084 -5.288) 6.386 12.253 ( 2.628 -0.934 -6.632) 7.195 12.599 ( 6.236 2.505 4.010) 7.826 12.660 ( 8.857 -3.283 3.755) 10.165 13.788 ( -19.286 10.590 -4.192) 22.398 13.989 ( -10.933 -6.068 4.167) 13.180 14.420 ( -15.154 -2.588 -2.121) 15.519 14.501 ( -12.869 -8.019 3.945) 15.668 15.299 ( 6.622 7.807 -1.493) 10.345 15.444 ( 11.709 -3.040 3.374) 12.559 15.516 ( 10.024 4.436 -1.087) 11.015 15.720 ( 13.585 -11.583 -3.830) 18.259 17.152 ( -3.374 2.929 17.268) 17.836 17.216 ( -1.581 -3.195 12.268) 12.776 17.712 ( -0.369 2.315 0.615) 2.424 17.797 ( 3.562 -6.113 0.588) 7.100 18.519 ( -13.172 7.511 -2.413) 15.354 18.655 ( -13.205 -4.610 -3.377) 14.389 19.077 ( 9.690 2.173 -4.803) 11.031 19.228 ( 10.867 -11.342 -14.556) 21.415 23.768 ( -5.519 11.013 19.959) 23.454 23.985 ( -2.986 -9.499 14.871) 17.897 24.248 ( 4.205 6.145 -21.817) 23.052 24.413 ( 5.313 -9.147 -22.534) 24.893 ======================= Grid point 219 (121/125) ======================= q-point: ( 0.29 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 1.622 7.080 4.036) 8.310 2.042 ( 1.250 -4.236 1.296) 4.603 2.095 ( 1.072 2.591 -0.570) 2.861 2.197 ( -1.493 -6.287 5.380) 8.409 2.376 ( 5.576 2.940 -3.484) 7.202 2.470 ( 4.188 -4.827 -4.058) 7.570 2.692 ( 0.241 2.634 -0.571) 2.706 2.796 ( -0.339 -7.481 -2.842) 8.010 3.056 ( 8.694 8.386 5.444) 13.249 3.173 ( 3.952 -1.344 2.316) 4.774 3.630 ( 0.528 7.267 13.381) 15.236 3.716 ( -2.661 -1.545 16.070) 16.362 3.796 ( 2.957 -4.210 4.417) 6.780 3.839 ( 5.130 -6.102 5.775) 9.844 4.243 ( -3.604 6.811 -5.505) 9.471 4.339 ( 1.111 -1.203 -3.422) 3.793 4.686 ( 5.586 6.328 0.748) 8.474 4.787 ( 8.175 -4.272 -5.620) 10.801 4.914 ( 4.480 3.367 9.084) 10.674 5.001 ( 1.274 -5.508 11.289) 12.625 5.392 ( 1.157 3.454 0.940) 3.762 5.433 ( -4.809 -1.085 5.554) 7.426 5.488 ( 2.493 8.825 -14.367) 17.044 5.606 ( 1.372 -2.077 -12.464) 12.710 6.427 ( 4.770 0.608 -0.829) 4.879 6.458 ( 6.995 -2.239 -2.974) 7.924 6.857 ( -0.833 4.563 5.142) 6.925 6.957 ( -1.671 -4.884 2.324) 5.661 7.458 ( -6.078 2.199 -0.471) 6.480 7.523 ( -7.552 -3.845 -3.983) 9.364 7.948 ( -2.043 4.468 1.879) 5.260 8.012 ( -2.758 -1.961 1.681) 3.779 8.288 ( 0.835 6.968 11.044) 13.086 8.457 ( 1.626 -7.510 9.957) 12.577 8.672 ( -0.165 3.753 0.843) 3.850 8.756 ( 2.237 -1.286 -0.053) 2.580 9.095 ( 5.064 3.776 -6.780) 9.267 9.206 ( 3.691 -5.938 -7.806) 10.480 9.503 ( 2.246 4.469 3.151) 5.911 9.568 ( 3.259 -1.259 2.328) 4.198 10.161 ( -5.748 6.526 5.521) 10.301 10.220 ( -6.584 1.900 3.356) 7.630 10.698 ( -14.804 9.034 -12.464) 21.357 10.808 ( -13.752 -2.272 -15.760) 21.039 11.243 ( -0.070 6.857 2.340) 7.246 11.403 ( -4.039 -8.162 4.697) 10.247 11.527 ( 2.040 6.212 7.881) 10.240 11.624 ( 4.675 -3.002 12.585) 13.757 12.187 ( -4.976 0.190 -3.508) 6.091 12.216 ( -4.405 -1.572 -3.484) 5.832 12.808 ( 11.339 5.225 2.469) 12.726 12.921 ( 14.954 -5.418 1.752) 16.002 13.429 ( -12.916 14.095 -7.252) 20.447 13.741 ( -13.264 -12.708 0.329) 18.372 14.100 ( -17.261 -0.566 0.337) 17.273 14.230 ( -16.682 -10.215 5.409) 20.295 15.464 ( 9.483 8.802 3.013) 13.284 15.650 ( 9.223 -9.147 4.307) 13.686 15.759 ( 13.190 8.411 -3.465) 16.023 15.909 ( 7.516 -6.519 -6.196) 11.721 17.165 ( -2.240 3.386 19.280) 19.703 17.252 ( 0.653 -5.533 13.298) 14.418 17.744 ( 2.136 4.522 3.541) 6.128 17.874 ( 3.477 -8.151 0.976) 8.915 18.261 ( -11.549 7.167 -5.720) 14.747 18.375 ( -13.293 -3.441 -6.926) 15.379 19.198 ( 4.585 1.349 -3.629) 6.001 19.336 ( 6.450 -11.407 -15.512) 20.306 23.741 ( -5.082 13.013 20.393) 24.719 23.989 ( -2.241 -10.143 13.969) 17.408 24.239 ( 3.223 6.919 -20.978) 22.323 24.429 ( 5.060 -10.405 -22.497) 25.298 ======================= Grid point 220 (122/125) ======================= q-point: ( 0.43 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.283 3.609 5.801) 6.838 2.054 ( -1.264 -7.668 0.129) 7.773 2.075 ( -1.402 3.154 1.319) 3.695 2.148 ( -2.019 -4.071 -0.671) 4.593 2.499 ( 6.845 2.990 -0.987) 7.534 2.573 ( 6.366 -2.085 -3.652) 7.630 2.673 ( -1.285 0.507 -1.827) 2.291 2.750 ( -4.787 -5.885 -1.931) 7.828 3.226 ( 2.982 7.451 10.711) 13.384 3.278 ( 6.970 3.375 2.606) 8.171 3.649 ( -2.101 6.307 13.754) 15.276 3.753 ( -0.456 -1.828 10.659) 10.824 3.908 ( 6.105 -1.463 7.779) 9.996 3.960 ( 5.434 -5.899 2.442) 8.384 4.123 ( -5.912 5.669 -3.571) 8.936 4.257 ( -5.544 -4.283 -6.749) 9.727 4.803 ( 2.021 6.871 6.015) 9.352 4.884 ( 1.299 -0.732 -0.996) 1.792 5.009 ( 0.781 0.066 8.469) 8.505 5.063 ( 5.306 -4.378 1.590) 7.061 5.350 ( -5.641 3.873 7.739) 10.330 5.404 ( -0.901 -1.164 2.114) 2.576 5.501 ( 4.612 6.765 -15.162) 17.231 5.579 ( 0.767 -0.636 -13.459) 13.496 6.515 ( 2.211 1.329 3.757) 4.557 6.562 ( 2.550 -2.991 0.477) 3.959 6.821 ( -2.127 1.775 1.619) 3.209 6.878 ( -4.285 -3.806 -0.327) 5.740 7.396 ( -0.657 -0.235 -2.379) 2.479 7.405 ( -3.829 -1.075 -1.860) 4.391 7.937 ( 0.317 3.442 1.966) 3.977 7.974 ( -0.868 -0.589 -0.222) 1.072 8.393 ( 4.380 7.098 12.323) 14.880 8.535 ( 2.794 -4.182 4.836) 6.978 8.669 ( -0.154 5.355 1.591) 5.589 8.781 ( 1.674 -1.931 -4.050) 4.789 9.191 ( 4.877 0.216 -0.189) 4.885 9.234 ( -0.024 -2.761 -1.428) 3.108 9.549 ( 1.312 6.873 3.503) 7.825 9.625 ( 3.335 0.485 -3.647) 4.966 10.120 ( -3.756 4.503 6.171) 8.513 10.154 ( 2.778 -0.357 6.541) 7.116 10.429 ( -9.336 5.497 -11.591) 15.866 10.498 ( -12.945 -2.027 -13.989) 19.167 11.217 ( -2.317 1.595 3.059) 4.156 11.274 ( -6.606 -4.159 2.151) 8.098 11.698 ( 10.720 7.992 6.206) 14.741 11.802 ( 9.185 -2.208 8.289) 12.568 12.035 ( -9.071 1.377 -2.993) 9.651 12.089 ( -7.671 -2.811 -1.312) 8.274 12.910 ( -0.983 4.977 1.408) 5.265 13.039 ( -2.289 -6.519 -5.819) 9.033 13.446 ( 14.697 8.814 -0.929) 17.163 13.618 ( -2.292 -2.093 4.332) 5.329 13.821 ( -9.279 -5.559 0.256) 10.820 13.942 ( -13.947 -12.337 1.160) 18.656 15.644 ( 7.187 7.738 6.468) 12.384 15.803 ( 4.542 -6.969 4.354) 9.389 15.906 ( 1.983 3.517 -6.225) 7.420 15.959 ( 2.163 -1.126 -6.245) 6.705 17.206 ( -2.089 3.652 22.499) 22.889 17.327 ( 0.793 -8.568 15.721) 17.921 17.781 ( 2.033 4.088 -4.618) 6.494 17.898 ( 0.291 -7.455 -8.153) 11.052 18.093 ( -5.081 6.330 1.783) 8.310 18.173 ( -4.275 -0.817 -4.779) 6.464 19.225 ( -0.448 0.972 -1.119) 1.549 19.366 ( 3.307 -12.002 -16.034) 20.299 23.732 ( -3.818 14.309 20.655) 25.416 24.002 ( -1.648 -10.581 12.896) 16.763 24.219 ( 2.781 7.925 -20.109) 21.793 24.435 ( 4.329 -11.486 -22.615) 25.732 ======================= Grid point 221 (123/125) ======================= q-point: (-0.43 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -1.586 1.641 7.546) 7.884 1.998 ( -3.530 -4.387 1.345) 5.789 2.095 ( 2.930 2.571 1.168) 4.069 2.165 ( 3.298 -3.806 -2.656) 5.694 2.524 ( -5.805 1.078 -1.970) 6.224 2.540 ( -7.102 0.278 -1.623) 7.291 2.667 ( 0.952 -0.536 -1.254) 1.663 2.739 ( 4.915 -5.903 -1.018) 7.748 3.234 ( -5.862 6.653 7.292) 11.480 3.322 ( -3.935 -0.179 1.432) 4.191 3.708 ( 2.134 7.670 11.555) 14.032 3.759 ( -1.302 1.940 6.214) 6.638 3.984 ( -0.713 1.270 0.892) 1.708 4.029 ( -2.934 3.377 1.942) 4.877 4.082 ( 4.027 -6.131 0.593) 7.359 4.154 ( -0.324 -5.783 -4.574) 7.381 4.764 ( -8.336 4.066 8.592) 12.643 4.814 ( -7.437 -1.715 5.315) 9.300 5.046 ( -0.643 4.715 4.267) 6.392 5.151 ( 1.781 -4.804 1.673) 5.390 5.301 ( -1.013 6.440 3.862) 7.577 5.399 ( 0.504 -2.526 0.720) 2.675 5.532 ( 2.150 3.242 -10.058) 10.784 5.546 ( 2.239 1.747 -13.093) 13.397 6.450 ( -9.855 0.503 8.406) 12.963 6.491 ( -8.973 -3.352 6.529) 11.592 6.891 ( 7.275 0.202 -1.528) 7.436 6.905 ( 5.699 -1.171 -3.818) 6.958 7.360 ( 0.091 0.045 0.539) 0.548 7.389 ( 0.832 -2.683 -0.140) 2.813 7.971 ( 2.693 2.527 -0.331) 3.708 7.983 ( 2.181 0.960 -2.845) 3.711 8.492 ( 2.054 6.567 6.437) 9.422 8.569 ( 0.063 1.232 -3.776) 3.972 8.691 ( 1.381 5.387 3.402) 6.519 8.800 ( 2.506 -3.049 -7.339) 8.332 9.148 ( -8.949 0.660 2.447) 9.301 9.186 ( -5.916 -2.836 4.274) 7.829 9.588 ( 0.814 6.642 -1.067) 6.776 9.690 ( 4.304 -1.623 -7.874) 9.119 10.160 ( 1.384 6.540 9.180) 11.356 10.226 ( 4.290 0.421 4.625) 6.323 10.260 ( -5.571 3.066 -7.205) 9.610 10.354 ( 5.219 -4.327 -0.787) 6.824 11.192 ( 0.633 3.474 4.118) 5.425 11.298 ( 7.059 -6.882 1.225) 9.934 11.804 ( -7.818 8.016 -3.966) 11.879 11.933 ( -3.201 1.250 3.215) 4.706 11.941 ( 6.575 1.036 -2.216) 7.016 12.037 ( 8.150 -2.803 3.926) 9.470 12.901 ( -1.619 1.056 6.162) 6.458 12.957 ( -1.709 -4.143 -1.505) 4.728 13.422 ( -14.380 7.924 1.762) 16.513 13.655 ( -6.448 -14.001 1.330) 15.471 13.797 ( 16.744 7.131 0.587) 18.208 14.003 ( 16.851 -12.368 -3.757) 21.238 15.731 ( -3.921 7.720 3.700) 9.416 15.800 ( -3.174 3.411 -4.461) 6.451 15.852 ( -3.814 -1.708 4.083) 5.842 15.938 ( -3.465 -6.277 -5.817) 9.233 17.219 ( -5.376 3.332 21.958) 22.851 17.348 ( -4.937 -9.215 14.052) 17.514 17.848 ( 9.093 2.035 -10.830) 14.287 17.909 ( 6.829 -4.255 -14.341) 16.444 18.043 ( -2.578 7.228 7.642) 10.830 18.155 ( 1.689 -2.718 0.082) 3.202 19.187 ( -3.250 2.491 1.008) 4.217 19.353 ( 1.052 -12.805 -13.463) 18.610 23.746 ( -2.728 14.181 20.473) 25.053 24.019 ( -1.706 -10.997 12.706) 16.890 24.201 ( 3.194 8.885 -20.146) 22.249 24.428 ( 3.769 -11.774 -22.707) 25.854 ======================= Grid point 222 (124/125) ======================= q-point: (-0.29 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -1.638 2.653 1.928) 3.666 1.963 ( -1.139 -0.601 6.228) 6.360 2.140 ( -1.685 6.594 -4.109) 7.950 2.205 ( 1.797 -2.009 3.679) 4.561 2.384 ( -7.230 -2.312 -1.348) 7.710 2.424 ( -1.363 -5.692 -1.432) 6.025 2.679 ( -1.247 0.997 0.347) 1.634 2.771 ( -0.435 -6.661 -0.733) 6.716 3.101 ( -8.125 4.621 0.766) 9.379 3.205 ( -7.132 -2.461 0.521) 7.562 3.715 ( -3.865 1.283 5.688) 6.995 3.756 ( -3.876 0.548 6.964) 7.989 3.941 ( 0.477 7.989 -8.491) 11.668 4.021 ( -1.307 4.926 4.946) 7.102 4.058 ( -2.275 -1.240 -3.441) 4.307 4.202 ( -1.436 -8.925 9.793) 13.327 4.614 ( -8.278 3.639 5.839) 10.764 4.701 ( -5.319 -4.313 3.988) 7.925 5.007 ( -5.126 7.696 8.161) 12.333 5.132 ( -4.653 -4.240 3.583) 7.243 5.319 ( 1.977 6.878 -3.898) 8.149 5.426 ( 2.687 -2.118 -6.723) 7.544 5.510 ( 0.047 4.744 -4.104) 6.273 5.582 ( 4.324 -1.825 -7.173) 8.572 6.305 ( -7.814 1.336 8.910) 11.926 6.359 ( -7.134 -3.662 7.309) 10.850 6.941 ( -1.367 0.935 -1.168) 2.027 6.957 ( -1.254 -0.301 2.267) 2.608 7.451 ( 8.991 -1.191 -0.676) 9.094 7.472 ( 8.125 -3.085 0.075) 8.691 8.008 ( 2.321 3.172 -4.174) 5.734 8.039 ( 3.933 0.744 -1.415) 4.245 8.500 ( -3.435 7.552 -7.932) 11.478 8.532 ( 0.231 4.233 0.074) 4.240 8.710 ( -1.923 3.765 3.194) 5.299 8.802 ( -0.438 -5.932 -5.971) 8.429 8.996 ( -5.189 1.188 1.555) 5.546 9.096 ( -3.736 -5.447 2.210) 6.965 9.543 ( -3.734 4.849 -1.113) 6.221 9.647 ( -4.766 -4.607 -4.829) 8.202 10.205 ( -0.551 5.426 3.477) 6.468 10.231 ( 3.961 3.335 -0.430) 5.196 10.456 ( 15.437 6.056 11.335) 20.087 10.556 ( 13.517 -4.150 9.287) 16.917 11.262 ( 3.598 7.933 0.318) 8.716 11.434 ( 2.437 -7.770 1.312) 8.249 11.692 ( 1.837 8.876 -7.652) 11.862 11.838 ( -0.945 -5.312 -8.911) 10.417 12.085 ( 2.639 3.477 6.315) 7.677 12.157 ( 2.193 -2.664 2.416) 4.212 12.815 ( -9.381 3.351 2.182) 10.198 12.911 ( -9.695 -5.443 2.387) 11.372 13.312 ( 8.428 14.589 4.614) 17.469 13.684 ( 10.342 -21.293 4.971) 24.188 14.139 ( 18.433 7.762 -2.830) 20.200 14.319 ( 16.974 -9.923 -3.655) 19.999 15.525 ( -13.488 11.795 -2.920) 18.154 15.705 ( -9.228 1.023 0.356) 9.291 15.743 ( -9.145 -3.292 -2.903) 10.144 15.817 ( -7.295 -8.334 2.357) 11.324 17.186 ( -5.192 3.014 17.728) 18.717 17.283 ( -5.478 -5.892 10.149) 12.951 17.896 ( -2.943 3.697 -8.265) 9.521 17.962 ( 1.889 -3.123 -10.033) 10.676 18.169 ( 13.742 3.298 1.501) 14.212 18.274 ( 12.269 -5.487 4.373) 14.133 19.117 ( -4.709 4.870 1.263) 6.891 19.302 ( -2.117 -12.474 -9.896) 16.063 23.773 ( -2.477 12.727 19.988) 23.825 24.025 ( -2.924 -11.283 14.187) 18.361 24.197 ( 4.637 9.345 -21.682) 24.061 24.414 ( 3.659 -11.114 -22.693) 25.532 ======================= Grid point 223 (125/125) ======================= q-point: (-0.14 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -1.888 6.325 -0.247) 6.605 1.979 ( -0.563 0.595 5.978) 6.034 2.014 ( -6.607 8.853 -2.845) 11.407 2.215 ( -5.034 -7.774 -1.491) 9.380 2.304 ( 1.339 3.111 2.056) 3.963 2.417 ( -0.914 -6.302 -1.491) 6.540 2.685 ( 2.980 0.036 4.234) 5.178 2.773 ( 0.956 -8.589 1.993) 8.869 2.976 ( -4.203 3.426 -3.300) 6.348 3.083 ( -5.737 -5.320 -1.973) 8.069 3.645 ( -4.359 0.076 2.272) 4.916 3.675 ( -5.505 -0.624 4.192) 6.947 3.936 ( -4.899 7.392 6.004) 10.710 3.975 ( -0.432 3.031 -2.817) 4.161 4.018 ( 0.721 0.794 -3.745) 3.896 4.114 ( -10.899 -7.817 10.770) 17.201 4.563 ( 0.579 5.123 6.839) 8.565 4.681 ( 1.571 -4.150 3.401) 5.591 4.924 ( -6.087 4.930 4.028) 8.808 5.012 ( -8.479 -3.750 0.944) 9.319 5.333 ( 1.093 8.783 -4.478) 9.919 5.450 ( 3.810 1.896 -11.058) 11.849 5.512 ( 0.317 3.912 1.636) 4.252 5.639 ( 3.723 -4.771 -6.448) 8.843 6.238 ( -2.846 1.640 9.402) 9.959 6.286 ( -3.442 -2.799 7.536) 8.745 6.892 ( -2.711 0.601 -0.224) 2.786 6.903 ( -3.668 -0.548 2.133) 4.278 7.611 ( 6.158 0.132 1.401) 6.317 7.639 ( 8.031 -2.794 -0.321) 8.509 8.030 ( 1.362 4.105 -3.468) 5.543 8.093 ( 1.986 -1.380 -3.783) 4.490 8.420 ( -0.585 7.186 -5.464) 9.046 8.516 ( -2.465 -0.313 -0.492) 2.533 8.645 ( -4.287 4.327 2.611) 6.627 8.741 ( -4.072 -5.864 -2.564) 7.586 8.991 ( 3.009 0.841 -0.176) 3.129 9.065 ( -0.361 -5.489 0.033) 5.501 9.484 ( -1.807 3.674 -0.748) 4.162 9.547 ( -3.959 -2.349 -2.076) 5.050 10.235 ( 1.058 6.129 9.347) 11.227 10.292 ( 2.196 1.120 4.080) 4.767 10.836 ( 18.339 4.908 10.523) 21.706 10.867 ( 14.867 0.631 9.441) 17.623 11.274 ( -0.860 7.995 -2.803) 8.516 11.386 ( -4.038 -1.461 0.141) 4.296 11.769 ( 3.417 1.306 -10.608) 11.221 11.788 ( -2.928 0.099 -14.967) 15.251 12.115 ( -0.024 -0.971 6.731) 6.801 12.133 ( -4.418 -1.553 5.534) 7.250 12.630 ( -8.091 2.812 0.386) 8.574 12.701 ( -9.282 -3.496 -0.560) 9.935 13.672 ( 21.847 12.064 7.303) 26.004 13.967 ( 13.127 -15.953 5.819) 21.463 14.441 ( 14.358 5.660 -3.701) 15.870 14.573 ( 10.006 -7.156 -3.013) 12.666 15.279 ( -10.102 11.189 0.357) 15.079 15.513 ( -11.491 5.090 -2.269) 12.771 15.522 ( -8.766 -11.069 -3.215) 14.481 15.657 ( -10.837 -8.598 2.668) 14.089 17.165 ( -3.739 2.942 16.093) 16.781 17.234 ( -3.692 -3.304 9.983) 11.145 17.801 ( -3.097 3.155 -6.457) 7.825 17.884 ( -4.880 -4.862 -8.067) 10.608 18.468 ( 15.955 3.847 1.407) 16.472 18.584 ( 16.474 -7.099 5.061) 18.639 19.012 ( -6.401 6.546 -2.301) 9.440 19.199 ( -5.017 -11.371 -9.045) 15.372 23.793 ( -3.194 10.782 19.645) 22.636 24.013 ( -4.021 -10.377 15.337) 18.949 24.215 ( 5.735 8.155 -22.652) 24.749 24.402 ( 3.991 -9.813 -22.676) 25.029 =================== 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 3/31752 10.0 332.571 360.586 515.891 0.000 87.545 0.000 3/31752 20.0 50.725 64.691 85.479 0.000 1.925 0.000 3/31752 30.0 21.312 26.326 39.010 0.000 -0.591 0.000 3/31752 40.0 12.714 15.518 24.241 0.000 -0.777 0.000 3/31752 50.0 8.949 10.910 17.545 0.000 -0.744 0.000 3/31752 60.0 6.891 8.406 13.786 0.000 -0.680 0.000 3/31752 70.0 5.608 6.837 11.371 0.000 -0.614 0.000 3/31752 80.0 4.738 5.763 9.683 0.000 -0.554 0.000 3/31752 90.0 4.112 4.984 8.435 0.000 -0.502 0.000 3/31752 100.0 3.642 4.395 7.475 0.000 -0.456 0.000 3/31752 110.0 3.278 3.935 6.714 0.000 -0.417 0.000 3/31752 120.0 2.987 3.567 6.097 0.000 -0.384 0.000 3/31752 130.0 2.749 3.264 5.587 0.000 -0.355 0.000 3/31752 140.0 2.552 3.013 5.159 0.000 -0.330 0.000 3/31752 150.0 2.384 2.799 4.795 0.000 -0.308 0.000 3/31752 160.0 2.240 2.616 4.482 0.000 -0.289 0.000 3/31752 170.0 2.114 2.458 4.209 0.000 -0.273 0.000 3/31752 180.0 2.004 2.319 3.970 0.000 -0.258 0.000 3/31752 190.0 1.905 2.196 3.759 0.000 -0.245 0.000 3/31752 200.0 1.817 2.086 3.570 0.000 -0.234 0.000 3/31752 210.0 1.737 1.987 3.401 0.000 -0.223 0.000 3/31752 220.0 1.664 1.899 3.248 0.000 -0.214 0.000 3/31752 230.0 1.598 1.818 3.110 0.000 -0.206 0.000 3/31752 240.0 1.537 1.744 2.983 0.000 -0.198 0.000 3/31752 250.0 1.480 1.676 2.868 0.000 -0.191 0.000 3/31752 260.0 1.428 1.614 2.761 0.000 -0.184 0.000 3/31752 270.0 1.379 1.557 2.663 0.000 -0.179 0.000 3/31752 280.0 1.334 1.503 2.571 0.000 -0.173 0.000 3/31752 290.0 1.292 1.453 2.487 0.000 -0.168 0.000 3/31752 300.0 1.252 1.407 2.408 0.000 -0.163 0.000 3/31752 310.0 1.214 1.364 2.334 0.000 -0.159 0.000 3/31752 320.0 1.179 1.323 2.264 0.000 -0.154 0.000 3/31752 330.0 1.146 1.285 2.199 0.000 -0.150 0.000 3/31752 340.0 1.115 1.249 2.138 0.000 -0.147 0.000 3/31752 350.0 1.085 1.214 2.080 0.000 -0.143 0.000 3/31752 360.0 1.057 1.182 2.025 0.000 -0.140 0.000 3/31752 370.0 1.030 1.152 1.973 0.000 -0.136 0.000 3/31752 380.0 1.005 1.123 1.924 0.000 -0.133 0.000 3/31752 390.0 0.980 1.095 1.877 0.000 -0.131 0.000 3/31752 400.0 0.957 1.069 1.832 0.000 -0.128 0.000 3/31752 410.0 0.935 1.044 1.790 0.000 -0.125 0.000 3/31752 420.0 0.914 1.020 1.749 0.000 -0.123 0.000 3/31752 430.0 0.894 0.998 1.711 0.000 -0.120 0.000 3/31752 440.0 0.875 0.976 1.674 0.000 -0.118 0.000 3/31752 450.0 0.856 0.955 1.638 0.000 -0.115 0.000 3/31752 460.0 0.839 0.935 1.604 0.000 -0.113 0.000 3/31752 470.0 0.822 0.916 1.572 0.000 -0.111 0.000 3/31752 480.0 0.805 0.898 1.541 0.000 -0.109 0.000 3/31752 490.0 0.790 0.880 1.511 0.000 -0.107 0.000 3/31752 500.0 0.774 0.863 1.482 0.000 -0.105 0.000 3/31752 510.0 0.760 0.847 1.454 0.000 -0.103 0.000 3/31752 520.0 0.746 0.831 1.427 0.000 -0.102 0.000 3/31752 530.0 0.732 0.816 1.401 0.000 -0.100 0.000 3/31752 540.0 0.719 0.801 1.376 0.000 -0.098 0.000 3/31752 550.0 0.707 0.787 1.352 0.000 -0.097 0.000 3/31752 560.0 0.695 0.773 1.329 0.000 -0.095 0.000 3/31752 570.0 0.683 0.760 1.307 0.000 -0.094 0.000 3/31752 580.0 0.671 0.748 1.285 0.000 -0.092 0.000 3/31752 590.0 0.660 0.735 1.264 0.000 -0.091 0.000 3/31752 600.0 0.650 0.723 1.244 0.000 -0.090 0.000 3/31752 610.0 0.639 0.712 1.224 0.000 -0.088 0.000 3/31752 620.0 0.629 0.701 1.205 0.000 -0.087 0.000 3/31752 630.0 0.620 0.690 1.187 0.000 -0.086 0.000 3/31752 640.0 0.610 0.679 1.169 0.000 -0.084 0.000 3/31752 650.0 0.601 0.669 1.151 0.000 -0.083 0.000 3/31752 660.0 0.592 0.659 1.134 0.000 -0.082 0.000 3/31752 670.0 0.584 0.650 1.118 0.000 -0.081 0.000 3/31752 680.0 0.575 0.640 1.102 0.000 -0.080 0.000 3/31752 690.0 0.567 0.631 1.087 0.000 -0.079 0.000 3/31752 700.0 0.559 0.623 1.071 0.000 -0.078 0.000 3/31752 710.0 0.552 0.614 1.057 0.000 -0.077 0.000 3/31752 720.0 0.544 0.606 1.043 0.000 -0.076 0.000 3/31752 730.0 0.537 0.598 1.029 0.000 -0.075 0.000 3/31752 740.0 0.530 0.590 1.015 0.000 -0.074 0.000 3/31752 750.0 0.523 0.582 1.002 0.000 -0.073 0.000 3/31752 760.0 0.516 0.574 0.989 0.000 -0.072 0.000 3/31752 770.0 0.510 0.567 0.977 0.000 -0.071 0.000 3/31752 780.0 0.503 0.560 0.964 0.000 -0.070 0.000 3/31752 790.0 0.497 0.553 0.953 0.000 -0.070 0.000 3/31752 800.0 0.491 0.546 0.941 0.000 -0.069 0.000 3/31752 810.0 0.485 0.540 0.930 0.000 -0.068 0.000 3/31752 820.0 0.479 0.533 0.918 0.000 -0.067 0.000 3/31752 830.0 0.473 0.527 0.908 0.000 -0.066 0.000 3/31752 840.0 0.468 0.521 0.897 0.000 -0.066 0.000 3/31752 850.0 0.462 0.515 0.887 0.000 -0.065 0.000 3/31752 860.0 0.457 0.509 0.877 0.000 -0.064 0.000 3/31752 870.0 0.452 0.503 0.867 0.000 -0.064 0.000 3/31752 880.0 0.447 0.497 0.857 0.000 -0.063 0.000 3/31752 890.0 0.442 0.492 0.848 0.000 -0.062 0.000 3/31752 900.0 0.437 0.487 0.838 0.000 -0.062 0.000 3/31752 910.0 0.432 0.481 0.829 0.000 -0.061 0.000 3/31752 920.0 0.428 0.476 0.821 0.000 -0.060 0.000 3/31752 930.0 0.423 0.471 0.812 0.000 -0.060 0.000 3/31752 940.0 0.419 0.466 0.803 0.000 -0.059 0.000 3/31752 950.0 0.415 0.461 0.795 0.000 -0.058 0.000 3/31752 960.0 0.410 0.457 0.787 0.000 -0.058 0.000 3/31752 970.0 0.406 0.452 0.779 0.000 -0.057 0.000 3/31752 980.0 0.402 0.447 0.771 0.000 -0.057 0.000 3/31752 990.0 0.398 0.443 0.764 0.000 -0.056 0.000 3/31752 1000.0 0.394 0.439 0.756 0.000 -0.056 0.000 3/31752 Thermal conductivity related properties were written into "kappa-m797.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:17:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|