----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:48:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] 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 8.751439592373938 0.000000000000000 0.000000000000000 b 0.000000000000000 7.227135800000000 0.000000000000000 c -1.609046851862421 0.000000000000000 7.324411663797471 Atomic positions (fractional): *1 P 0.57560524303361 0.24331603281317 0.39497320284284 30.974 2 P 0.42439475696639 0.74331603281317 0.10502679715716 30.974 3 P 0.42439475696639 0.75668396718683 0.60502679715716 30.974 4 P 0.57560524303361 0.25668396718683 0.89497320284284 30.974 *5 P 0.74264110810171 0.01502786170103 0.42884250021165 30.974 6 P 0.25735889189829 0.51502786170103 0.07115749978835 30.974 7 P 0.25735889189829 0.98497213829897 0.57115749978835 30.974 8 P 0.74264110810171 0.48497213829897 0.92884250021165 30.974 *9 P 0.87623492992224 0.42532755769639 0.71636503886375 30.974 10 P 0.12376507007776 0.92532755769639 0.78363496113625 30.974 11 P 0.12376507007776 0.57467244230361 0.28363496113625 30.974 12 P 0.87623492992224 0.07467244230361 0.21636503886375 30.974 *13 P 0.73501685711009 0.01901436323336 0.93926443681832 30.974 14 P 0.26498314288991 0.51901436323336 0.56073556318168 30.974 15 P 0.26498314288991 0.98098563676664 0.06073556318168 30.974 16 P 0.73501685711009 0.48098563676664 0.43926443681832 30.974 *17 Zn 0.89222202302908 0.40425433525827 0.22436736881410 65.380 18 Zn 0.10777797697092 0.90425433525827 0.27563263118590 65.380 19 Zn 0.10777797697092 0.59574566474173 0.77563263118590 65.380 20 Zn 0.89222202302908 0.09574566474173 0.72436736881410 65.380 *21 Zn 0.58233487331308 0.75278915558058 0.39428362139339 65.380 22 Zn 0.41766512668692 0.25278915558058 0.10571637860661 65.380 23 Zn 0.41766512668692 0.24721084441942 0.60571637860661 65.380 24 Zn 0.58233487331308 0.74721084441942 0.89428362139339 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.751439592373938 0.000000000000000 0.000000000000000 b 0.000000000000000 7.227135800000000 0.000000000000000 c -1.609046851862421 0.000000000000000 7.324411663797471 Atomic positions (fractional): *1 P 0.57560524303361 0.24331603281317 0.39497320284284 30.974 > 1 2 P 0.42439475696639 0.74331603281317 0.10502679715716 30.974 > 2 3 P 0.42439475696639 0.75668396718683 0.60502679715716 30.974 > 3 4 P 0.57560524303361 0.25668396718683 0.89497320284284 30.974 > 4 *5 P 0.74264110810171 0.01502786170103 0.42884250021165 30.974 > 5 6 P 0.25735889189829 0.51502786170103 0.07115749978835 30.974 > 6 7 P 0.25735889189829 0.98497213829897 0.57115749978835 30.974 > 7 8 P 0.74264110810171 0.48497213829897 0.92884250021165 30.974 > 8 *9 P 0.87623492992224 0.42532755769639 0.71636503886375 30.974 > 9 10 P 0.12376507007776 0.92532755769639 0.78363496113625 30.974 > 10 11 P 0.12376507007776 0.57467244230361 0.28363496113625 30.974 > 11 12 P 0.87623492992224 0.07467244230361 0.21636503886375 30.974 > 12 *13 P 0.73501685711009 0.01901436323336 0.93926443681832 30.974 > 13 14 P 0.26498314288991 0.51901436323336 0.56073556318168 30.974 > 14 15 P 0.26498314288991 0.98098563676664 0.06073556318168 30.974 > 15 16 P 0.73501685711009 0.48098563676664 0.43926443681832 30.974 > 16 *17 Zn 0.89222202302908 0.40425433525827 0.22436736881410 65.380 > 17 18 Zn 0.10777797697092 0.90425433525827 0.27563263118590 65.380 > 18 19 Zn 0.10777797697092 0.59574566474173 0.77563263118590 65.380 > 19 20 Zn 0.89222202302908 0.09574566474173 0.72436736881410 65.380 > 20 *21 Zn 0.58233487331308 0.75278915558058 0.39428362139339 65.380 > 21 22 Zn 0.41766512668692 0.25278915558058 0.10571637860661 65.380 > 22 23 Zn 0.41766512668692 0.24721084441942 0.60571637860661 65.380 > 23 24 Zn 0.58233487331308 0.74721084441942 0.89428362139339 65.380 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.751439592373938 0.000000000000000 0.000000000000000 b 0.000000000000000 14.454271600000000 0.000000000000000 c -3.218093703724842 0.000000000000000 14.648823327594942 Atomic positions (fractional): *1 P 0.57560524303361 0.12165801640659 0.19748660142142 30.974 > 1 2 P 0.57560524303361 0.62165801640659 0.19748660142142 30.974 > 1 3 P 0.57560524303361 0.12165801640659 0.69748660142142 30.974 > 1 4 P 0.57560524303361 0.62165801640659 0.69748660142142 30.974 > 1 5 P 0.42439475696639 0.37165801640659 0.05251339857858 30.974 > 2 6 P 0.42439475696639 0.87165801640659 0.05251339857858 30.974 > 2 7 P 0.42439475696639 0.37165801640659 0.55251339857858 30.974 > 2 8 P 0.42439475696639 0.87165801640659 0.55251339857858 30.974 > 2 9 P 0.42439475696639 0.37834198359341 0.30251339857858 30.974 > 3 10 P 0.42439475696639 0.87834198359341 0.30251339857858 30.974 > 3 11 P 0.42439475696639 0.37834198359341 0.80251339857858 30.974 > 3 12 P 0.42439475696639 0.87834198359341 0.80251339857858 30.974 > 3 13 P 0.57560524303361 0.12834198359341 0.44748660142142 30.974 > 4 14 P 0.57560524303361 0.62834198359341 0.44748660142142 30.974 > 4 15 P 0.57560524303361 0.12834198359341 0.94748660142142 30.974 > 4 16 P 0.57560524303361 0.62834198359341 0.94748660142142 30.974 > 4 *17 P 0.74264110810171 0.00751393085051 0.21442125010583 30.974 > 5 18 P 0.74264110810171 0.50751393085051 0.21442125010583 30.974 > 5 19 P 0.74264110810171 0.00751393085051 0.71442125010583 30.974 > 5 20 P 0.74264110810171 0.50751393085051 0.71442125010583 30.974 > 5 21 P 0.25735889189829 0.25751393085051 0.03557874989417 30.974 > 6 22 P 0.25735889189829 0.75751393085051 0.03557874989417 30.974 > 6 23 P 0.25735889189829 0.25751393085051 0.53557874989417 30.974 > 6 24 P 0.25735889189829 0.75751393085051 0.53557874989417 30.974 > 6 25 P 0.25735889189829 0.49248606914949 0.28557874989417 30.974 > 7 26 P 0.25735889189829 0.99248606914949 0.28557874989417 30.974 > 7 27 P 0.25735889189829 0.49248606914949 0.78557874989417 30.974 > 7 28 P 0.25735889189829 0.99248606914949 0.78557874989417 30.974 > 7 29 P 0.74264110810171 0.24248606914949 0.46442125010583 30.974 > 8 30 P 0.74264110810171 0.74248606914949 0.46442125010583 30.974 > 8 31 P 0.74264110810171 0.24248606914949 0.96442125010583 30.974 > 8 32 P 0.74264110810171 0.74248606914949 0.96442125010583 30.974 > 8 *33 P 0.87623492992224 0.21266377884819 0.35818251943187 30.974 > 9 34 P 0.87623492992224 0.71266377884819 0.35818251943187 30.974 > 9 35 P 0.87623492992224 0.21266377884819 0.85818251943187 30.974 > 9 36 P 0.87623492992224 0.71266377884819 0.85818251943187 30.974 > 9 37 P 0.12376507007776 0.46266377884819 0.39181748056813 30.974 > 10 38 P 0.12376507007776 0.96266377884819 0.39181748056813 30.974 > 10 39 P 0.12376507007776 0.46266377884819 0.89181748056813 30.974 > 10 40 P 0.12376507007776 0.96266377884819 0.89181748056813 30.974 > 10 41 P 0.12376507007776 0.28733622115181 0.14181748056813 30.974 > 11 42 P 0.12376507007776 0.78733622115181 0.14181748056813 30.974 > 11 43 P 0.12376507007776 0.28733622115181 0.64181748056813 30.974 > 11 44 P 0.12376507007776 0.78733622115181 0.64181748056813 30.974 > 11 45 P 0.87623492992224 0.03733622115181 0.10818251943187 30.974 > 12 46 P 0.87623492992224 0.53733622115181 0.10818251943187 30.974 > 12 47 P 0.87623492992224 0.03733622115181 0.60818251943187 30.974 > 12 48 P 0.87623492992224 0.53733622115181 0.60818251943187 30.974 > 12 *49 P 0.73501685711009 0.00950718161668 0.46963221840916 30.974 > 13 50 P 0.73501685711009 0.50950718161668 0.46963221840916 30.974 > 13 51 P 0.73501685711009 0.00950718161668 0.96963221840916 30.974 > 13 52 P 0.73501685711009 0.50950718161668 0.96963221840916 30.974 > 13 53 P 0.26498314288991 0.25950718161668 0.28036778159084 30.974 > 14 54 P 0.26498314288991 0.75950718161668 0.28036778159084 30.974 > 14 55 P 0.26498314288991 0.25950718161668 0.78036778159084 30.974 > 14 56 P 0.26498314288991 0.75950718161668 0.78036778159084 30.974 > 14 57 P 0.26498314288991 0.49049281838332 0.03036778159084 30.974 > 15 58 P 0.26498314288991 0.99049281838332 0.03036778159084 30.974 > 15 59 P 0.26498314288991 0.49049281838332 0.53036778159084 30.974 > 15 60 P 0.26498314288991 0.99049281838332 0.53036778159084 30.974 > 15 61 P 0.73501685711009 0.24049281838332 0.21963221840916 30.974 > 16 62 P 0.73501685711009 0.74049281838332 0.21963221840916 30.974 > 16 63 P 0.73501685711009 0.24049281838332 0.71963221840916 30.974 > 16 64 P 0.73501685711009 0.74049281838332 0.71963221840916 30.974 > 16 *65 Zn 0.89222202302908 0.20212716762913 0.11218368440705 65.380 > 17 66 Zn 0.89222202302908 0.70212716762913 0.11218368440705 65.380 > 17 67 Zn 0.89222202302908 0.20212716762913 0.61218368440705 65.380 > 17 68 Zn 0.89222202302908 0.70212716762913 0.61218368440705 65.380 > 17 69 Zn 0.10777797697092 0.45212716762913 0.13781631559295 65.380 > 18 70 Zn 0.10777797697092 0.95212716762913 0.13781631559295 65.380 > 18 71 Zn 0.10777797697092 0.45212716762913 0.63781631559295 65.380 > 18 72 Zn 0.10777797697092 0.95212716762913 0.63781631559295 65.380 > 18 73 Zn 0.10777797697092 0.29787283237087 0.38781631559295 65.380 > 19 74 Zn 0.10777797697092 0.79787283237087 0.38781631559295 65.380 > 19 75 Zn 0.10777797697092 0.29787283237087 0.88781631559295 65.380 > 19 76 Zn 0.10777797697092 0.79787283237087 0.88781631559295 65.380 > 19 77 Zn 0.89222202302908 0.04787283237087 0.36218368440705 65.380 > 20 78 Zn 0.89222202302908 0.54787283237087 0.36218368440705 65.380 > 20 79 Zn 0.89222202302908 0.04787283237087 0.86218368440705 65.380 > 20 80 Zn 0.89222202302908 0.54787283237087 0.86218368440705 65.380 > 20 *81 Zn 0.58233487331308 0.37639457779029 0.19714181069670 65.380 > 21 82 Zn 0.58233487331308 0.87639457779029 0.19714181069670 65.380 > 21 83 Zn 0.58233487331308 0.37639457779029 0.69714181069670 65.380 > 21 84 Zn 0.58233487331308 0.87639457779029 0.69714181069670 65.380 > 21 85 Zn 0.41766512668692 0.12639457779029 0.05285818930330 65.380 > 22 86 Zn 0.41766512668692 0.62639457779029 0.05285818930330 65.380 > 22 87 Zn 0.41766512668692 0.12639457779029 0.55285818930330 65.380 > 22 88 Zn 0.41766512668692 0.62639457779029 0.55285818930330 65.380 > 22 89 Zn 0.41766512668692 0.12360542220971 0.30285818930330 65.380 > 23 90 Zn 0.41766512668692 0.62360542220971 0.30285818930330 65.380 > 23 91 Zn 0.41766512668692 0.12360542220971 0.80285818930330 65.380 > 23 92 Zn 0.41766512668692 0.62360542220971 0.80285818930330 65.380 > 23 93 Zn 0.58233487331308 0.37360542220971 0.44714181069670 65.380 > 24 94 Zn 0.58233487331308 0.87360542220971 0.44714181069670 65.380 > 24 95 Zn 0.58233487331308 0.37360542220971 0.94714181069670 65.380 > 24 96 Zn 0.58233487331308 0.87360542220971 0.94714181069670 65.380 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.4896516 0.0000000 -0.7515308 0.0000000 10.4337296 0.0000000 -0.7515299 0.0000000 14.3147856 -------------------------- Born effective charges -------------------------- 1 P -1.1418719 0.0329676 -0.2210079 -0.0603093 -0.4054037 0.0800295 -0.1335565 -0.4961462 -0.2774001 2 P -1.1418719 -0.0329676 -0.2210079 0.0603093 -0.4054037 -0.0800295 -0.1335565 0.4961462 -0.2774001 3 P -1.1418719 0.0329676 -0.2210079 -0.0603093 -0.4054037 0.0800295 -0.1335565 -0.4961462 -0.2774001 4 P -1.1418719 -0.0329676 -0.2210079 0.0603093 -0.4054037 -0.0800295 -0.1335565 0.4961462 -0.2774001 5 P -0.3838176 0.0951959 -0.2521330 0.1101880 -0.8445246 0.1222735 -0.2129456 0.1584217 -0.9795401 6 P -0.3838176 -0.0951959 -0.2521330 -0.1101880 -0.8445246 -0.1222735 -0.2129456 -0.1584217 -0.9795401 7 P -0.3838176 0.0951959 -0.2521330 0.1101880 -0.8445246 0.1222735 -0.2129456 0.1584217 -0.9795401 8 P -0.3838176 -0.0951959 -0.2521330 -0.1101880 -0.8445246 -0.1222735 -0.2129456 -0.1584217 -0.9795401 9 P -0.6860972 0.2194502 0.0061304 -0.1293084 -0.9352924 -0.0063457 -0.0216728 0.0986112 -0.5857184 10 P -0.6860972 -0.2194502 0.0061304 0.1293084 -0.9352924 0.0063457 -0.0216728 -0.0986112 -0.5857184 11 P -0.6860972 0.2194502 0.0061304 -0.1293084 -0.9352924 -0.0063457 -0.0216728 0.0986112 -0.5857184 12 P -0.6860972 -0.2194502 0.0061304 0.1293084 -0.9352924 0.0063457 -0.0216728 -0.0986112 -0.5857184 13 P -0.7442986 0.0465383 0.4553176 0.1177644 -0.7809846 -0.0409171 0.4581200 -0.0719369 -1.0337879 14 P -0.7442986 -0.0465383 0.4553176 -0.1177644 -0.7809846 0.0409171 0.4581200 0.0719369 -1.0337879 15 P -0.7442986 0.0465383 0.4553176 0.1177644 -0.7809846 -0.0409171 0.4581200 -0.0719369 -1.0337879 16 P -0.7442986 -0.0465383 0.4553176 -0.1177644 -0.7809846 0.0409171 0.4581200 0.0719369 -1.0337879 17 Zn 1.5447802 0.5189730 0.0663445 0.6079583 1.2011219 0.1586703 -0.0434147 0.0833156 1.2896780 18 Zn 1.5447802 -0.5189730 0.0663445 -0.6079583 1.2011219 -0.1586703 -0.0434147 -0.0833156 1.2896780 19 Zn 1.5447802 0.5189730 0.0663445 0.6079583 1.2011219 0.1586703 -0.0434147 0.0833156 1.2896780 20 Zn 1.5447802 -0.5189730 0.0663445 -0.6079583 1.2011219 -0.1586703 -0.0434147 -0.0833156 1.2896780 21 Zn 1.4113051 -0.0220589 -0.0546515 0.0786290 1.7650836 -0.0802345 -0.0465304 -0.0711538 1.5867684 22 Zn 1.4113051 0.0220589 -0.0546515 -0.0786290 1.7650836 0.0802345 -0.0465304 0.0711538 1.5867684 23 Zn 1.4113051 -0.0220589 -0.0546515 0.0786290 1.7650836 -0.0802345 -0.0465304 -0.0711538 1.5867684 24 Zn 1.4113051 0.0220589 -0.0546515 -0.0786290 1.7650836 0.0802345 -0.0465304 0.0711538 1.5867684 ---------------------------------------------------------------------------- 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: 2664 Number of blocks in projector: 2664 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) 68 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 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) 68 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 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: 312 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 312 Use standard eigh solver. Tree of FC basis block matrices: - (2664, 2611), data: False |-- (312, 306), data: True |-- (312, 306), data: True |-- (312, 306), 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, 18), data: (576, 30) @ (30, 18) |-- (76, 68), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 68), data: True |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 720 - Time: 0.862 Solver_block: 200 / 720 - Time: 0.791 Solver_block: 300 / 720 - Time: 0.791 Solver_block: 400 / 720 - Time: 0.795 Solver_block: 500 / 720 - Time: 0.795 Solver_block: 600 / 720 - Time: 0.795 Solver_block: 700 / 720 - Time: 0.792 Solver_block: 720 / 720 - Time: 0.248 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.971 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 2664 Number of blocks in projector: 2664 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) 68 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 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) 68 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 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: 312 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 312 Use standard eigh solver. Tree of FC basis block matrices: - (2664, 2611), data: False |-- (312, 306), data: True |-- (312, 306), data: True |-- (312, 306), 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, 18), data: (576, 30) @ (30, 18) |-- (76, 68), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 68), data: True |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:49:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:49:25]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.751439592373938 0.000000000000000 0.000000000000000 b 0.000000000000000 7.227135800000000 0.000000000000000 c -1.609046851862421 0.000000000000000 7.324411663797471 Atomic positions (fractional): 1 P 0.57560524303361 0.24331603281317 0.39497320284284 30.974 2 P 0.42439475696639 0.74331603281317 0.10502679715716 30.974 3 P 0.42439475696639 0.75668396718683 0.60502679715716 30.974 4 P 0.57560524303361 0.25668396718683 0.89497320284284 30.974 5 P 0.74264110810171 0.01502786170103 0.42884250021165 30.974 6 P 0.25735889189829 0.51502786170103 0.07115749978835 30.974 7 P 0.25735889189829 0.98497213829897 0.57115749978835 30.974 8 P 0.74264110810171 0.48497213829897 0.92884250021165 30.974 9 P 0.87623492992224 0.42532755769639 0.71636503886375 30.974 10 P 0.12376507007776 0.92532755769639 0.78363496113625 30.974 11 P 0.12376507007776 0.57467244230361 0.28363496113625 30.974 12 P 0.87623492992224 0.07467244230361 0.21636503886375 30.974 13 P 0.73501685711009 0.01901436323336 0.93926443681832 30.974 14 P 0.26498314288991 0.51901436323336 0.56073556318168 30.974 15 P 0.26498314288991 0.98098563676664 0.06073556318168 30.974 16 P 0.73501685711009 0.48098563676664 0.43926443681832 30.974 17 Zn 0.89222202302908 0.40425433525827 0.22436736881410 65.380 18 Zn 0.10777797697092 0.90425433525827 0.27563263118590 65.380 19 Zn 0.10777797697092 0.59574566474173 0.77563263118590 65.380 20 Zn 0.89222202302908 0.09574566474173 0.72436736881410 65.380 21 Zn 0.58233487331308 0.75278915558058 0.39428362139339 65.380 22 Zn 0.41766512668692 0.25278915558058 0.10571637860661 65.380 23 Zn 0.41766512668692 0.24721084441942 0.60571637860661 65.380 24 Zn 0.58233487331308 0.74721084441942 0.89428362139339 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.751439592373938 0.000000000000000 0.000000000000000 b 0.000000000000000 14.454271600000000 0.000000000000000 c -3.218093703724842 0.000000000000000 14.648823327594942 Atomic positions (fractional): 1 P 0.57560524303361 0.12165801640659 0.19748660142142 30.974 > 1 2 P 0.57560524303361 0.62165801640659 0.19748660142142 30.974 > 1 3 P 0.57560524303361 0.12165801640659 0.69748660142142 30.974 > 1 4 P 0.57560524303361 0.62165801640659 0.69748660142142 30.974 > 1 5 P 0.42439475696639 0.37165801640659 0.05251339857858 30.974 > 5 6 P 0.42439475696639 0.87165801640659 0.05251339857858 30.974 > 5 7 P 0.42439475696639 0.37165801640659 0.55251339857858 30.974 > 5 8 P 0.42439475696639 0.87165801640659 0.55251339857858 30.974 > 5 9 P 0.42439475696639 0.37834198359341 0.30251339857858 30.974 > 9 10 P 0.42439475696639 0.87834198359341 0.30251339857858 30.974 > 9 11 P 0.42439475696639 0.37834198359341 0.80251339857858 30.974 > 9 12 P 0.42439475696639 0.87834198359341 0.80251339857858 30.974 > 9 13 P 0.57560524303361 0.12834198359341 0.44748660142142 30.974 > 13 14 P 0.57560524303361 0.62834198359341 0.44748660142142 30.974 > 13 15 P 0.57560524303361 0.12834198359341 0.94748660142142 30.974 > 13 16 P 0.57560524303361 0.62834198359341 0.94748660142142 30.974 > 13 17 P 0.74264110810171 0.00751393085051 0.21442125010583 30.974 > 17 18 P 0.74264110810171 0.50751393085051 0.21442125010583 30.974 > 17 19 P 0.74264110810171 0.00751393085051 0.71442125010583 30.974 > 17 20 P 0.74264110810171 0.50751393085051 0.71442125010583 30.974 > 17 21 P 0.25735889189829 0.25751393085051 0.03557874989417 30.974 > 21 22 P 0.25735889189829 0.75751393085051 0.03557874989417 30.974 > 21 23 P 0.25735889189829 0.25751393085051 0.53557874989417 30.974 > 21 24 P 0.25735889189829 0.75751393085051 0.53557874989417 30.974 > 21 25 P 0.25735889189829 0.49248606914949 0.28557874989417 30.974 > 25 26 P 0.25735889189829 0.99248606914949 0.28557874989417 30.974 > 25 27 P 0.25735889189829 0.49248606914949 0.78557874989417 30.974 > 25 28 P 0.25735889189829 0.99248606914949 0.78557874989417 30.974 > 25 29 P 0.74264110810171 0.24248606914949 0.46442125010583 30.974 > 29 30 P 0.74264110810171 0.74248606914949 0.46442125010583 30.974 > 29 31 P 0.74264110810171 0.24248606914949 0.96442125010583 30.974 > 29 32 P 0.74264110810171 0.74248606914949 0.96442125010583 30.974 > 29 33 P 0.87623492992224 0.21266377884819 0.35818251943187 30.974 > 33 34 P 0.87623492992224 0.71266377884819 0.35818251943187 30.974 > 33 35 P 0.87623492992224 0.21266377884819 0.85818251943187 30.974 > 33 36 P 0.87623492992224 0.71266377884819 0.85818251943187 30.974 > 33 37 P 0.12376507007776 0.46266377884819 0.39181748056813 30.974 > 37 38 P 0.12376507007776 0.96266377884819 0.39181748056813 30.974 > 37 39 P 0.12376507007776 0.46266377884819 0.89181748056813 30.974 > 37 40 P 0.12376507007776 0.96266377884819 0.89181748056813 30.974 > 37 41 P 0.12376507007776 0.28733622115181 0.14181748056813 30.974 > 41 42 P 0.12376507007776 0.78733622115181 0.14181748056813 30.974 > 41 43 P 0.12376507007776 0.28733622115181 0.64181748056813 30.974 > 41 44 P 0.12376507007776 0.78733622115181 0.64181748056813 30.974 > 41 45 P 0.87623492992224 0.03733622115181 0.10818251943187 30.974 > 45 46 P 0.87623492992224 0.53733622115181 0.10818251943187 30.974 > 45 47 P 0.87623492992224 0.03733622115181 0.60818251943187 30.974 > 45 48 P 0.87623492992224 0.53733622115181 0.60818251943187 30.974 > 45 49 P 0.73501685711009 0.00950718161668 0.46963221840916 30.974 > 49 50 P 0.73501685711009 0.50950718161668 0.46963221840916 30.974 > 49 51 P 0.73501685711009 0.00950718161668 0.96963221840916 30.974 > 49 52 P 0.73501685711009 0.50950718161668 0.96963221840916 30.974 > 49 53 P 0.26498314288991 0.25950718161668 0.28036778159084 30.974 > 53 54 P 0.26498314288991 0.75950718161668 0.28036778159084 30.974 > 53 55 P 0.26498314288991 0.25950718161668 0.78036778159084 30.974 > 53 56 P 0.26498314288991 0.75950718161668 0.78036778159084 30.974 > 53 57 P 0.26498314288991 0.49049281838332 0.03036778159084 30.974 > 57 58 P 0.26498314288991 0.99049281838332 0.03036778159084 30.974 > 57 59 P 0.26498314288991 0.49049281838332 0.53036778159084 30.974 > 57 60 P 0.26498314288991 0.99049281838332 0.53036778159084 30.974 > 57 61 P 0.73501685711009 0.24049281838332 0.21963221840916 30.974 > 61 62 P 0.73501685711009 0.74049281838332 0.21963221840916 30.974 > 61 63 P 0.73501685711009 0.24049281838332 0.71963221840916 30.974 > 61 64 P 0.73501685711009 0.74049281838332 0.71963221840916 30.974 > 61 65 Zn 0.89222202302908 0.20212716762913 0.11218368440705 65.380 > 65 66 Zn 0.89222202302908 0.70212716762913 0.11218368440705 65.380 > 65 67 Zn 0.89222202302908 0.20212716762913 0.61218368440705 65.380 > 65 68 Zn 0.89222202302908 0.70212716762913 0.61218368440705 65.380 > 65 69 Zn 0.10777797697092 0.45212716762913 0.13781631559295 65.380 > 69 70 Zn 0.10777797697092 0.95212716762913 0.13781631559295 65.380 > 69 71 Zn 0.10777797697092 0.45212716762913 0.63781631559295 65.380 > 69 72 Zn 0.10777797697092 0.95212716762913 0.63781631559295 65.380 > 69 73 Zn 0.10777797697092 0.29787283237087 0.38781631559295 65.380 > 73 74 Zn 0.10777797697092 0.79787283237087 0.38781631559295 65.380 > 73 75 Zn 0.10777797697092 0.29787283237087 0.88781631559295 65.380 > 73 76 Zn 0.10777797697092 0.79787283237087 0.88781631559295 65.380 > 73 77 Zn 0.89222202302908 0.04787283237087 0.36218368440705 65.380 > 77 78 Zn 0.89222202302908 0.54787283237087 0.36218368440705 65.380 > 77 79 Zn 0.89222202302908 0.04787283237087 0.86218368440705 65.380 > 77 80 Zn 0.89222202302908 0.54787283237087 0.86218368440705 65.380 > 77 81 Zn 0.58233487331308 0.37639457779029 0.19714181069670 65.380 > 81 82 Zn 0.58233487331308 0.87639457779029 0.19714181069670 65.380 > 81 83 Zn 0.58233487331308 0.37639457779029 0.69714181069670 65.380 > 81 84 Zn 0.58233487331308 0.87639457779029 0.69714181069670 65.380 > 81 85 Zn 0.41766512668692 0.12639457779029 0.05285818930330 65.380 > 85 86 Zn 0.41766512668692 0.62639457779029 0.05285818930330 65.380 > 85 87 Zn 0.41766512668692 0.12639457779029 0.55285818930330 65.380 > 85 88 Zn 0.41766512668692 0.62639457779029 0.55285818930330 65.380 > 85 89 Zn 0.41766512668692 0.12360542220971 0.30285818930330 65.380 > 89 90 Zn 0.41766512668692 0.62360542220971 0.30285818930330 65.380 > 89 91 Zn 0.41766512668692 0.12360542220971 0.80285818930330 65.380 > 89 92 Zn 0.41766512668692 0.62360542220971 0.80285818930330 65.380 > 89 93 Zn 0.58233487331308 0.37360542220971 0.44714181069670 65.380 > 93 94 Zn 0.58233487331308 0.87360542220971 0.44714181069670 65.380 > 93 95 Zn 0.58233487331308 0.37360542220971 0.94714181069670 65.380 > 93 96 Zn 0.58233487331308 0.87360542220971 0.94714181069670 65.380 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.4896516 0.0000000 -0.7515308 0.0000000 10.4337296 0.0000000 -0.7515299 0.0000000 14.3147856 -------------------------- Born effective charges -------------------------- 1 P -1.1418719 0.0329676 -0.2210079 -0.0603093 -0.4054037 0.0800295 -0.1335565 -0.4961462 -0.2774001 2 P -1.1418719 -0.0329676 -0.2210079 0.0603093 -0.4054037 -0.0800295 -0.1335565 0.4961462 -0.2774001 3 P -1.1418719 0.0329676 -0.2210079 -0.0603093 -0.4054037 0.0800295 -0.1335565 -0.4961462 -0.2774001 4 P -1.1418719 -0.0329676 -0.2210079 0.0603093 -0.4054037 -0.0800295 -0.1335565 0.4961462 -0.2774001 5 P -0.3838176 0.0951959 -0.2521330 0.1101880 -0.8445246 0.1222735 -0.2129456 0.1584217 -0.9795401 6 P -0.3838176 -0.0951959 -0.2521330 -0.1101880 -0.8445246 -0.1222735 -0.2129456 -0.1584217 -0.9795401 7 P -0.3838176 0.0951959 -0.2521330 0.1101880 -0.8445246 0.1222735 -0.2129456 0.1584217 -0.9795401 8 P -0.3838176 -0.0951959 -0.2521330 -0.1101880 -0.8445246 -0.1222735 -0.2129456 -0.1584217 -0.9795401 9 P -0.6860972 0.2194502 0.0061304 -0.1293084 -0.9352924 -0.0063457 -0.0216728 0.0986112 -0.5857184 10 P -0.6860972 -0.2194502 0.0061304 0.1293084 -0.9352924 0.0063457 -0.0216728 -0.0986112 -0.5857184 11 P -0.6860972 0.2194502 0.0061304 -0.1293084 -0.9352924 -0.0063457 -0.0216728 0.0986112 -0.5857184 12 P -0.6860972 -0.2194502 0.0061304 0.1293084 -0.9352924 0.0063457 -0.0216728 -0.0986112 -0.5857184 13 P -0.7442986 0.0465383 0.4553176 0.1177644 -0.7809846 -0.0409171 0.4581200 -0.0719369 -1.0337879 14 P -0.7442986 -0.0465383 0.4553176 -0.1177644 -0.7809846 0.0409171 0.4581200 0.0719369 -1.0337879 15 P -0.7442986 0.0465383 0.4553176 0.1177644 -0.7809846 -0.0409171 0.4581200 -0.0719369 -1.0337879 16 P -0.7442986 -0.0465383 0.4553176 -0.1177644 -0.7809846 0.0409171 0.4581200 0.0719369 -1.0337879 17 Zn 1.5447802 0.5189730 0.0663445 0.6079583 1.2011219 0.1586703 -0.0434147 0.0833156 1.2896780 18 Zn 1.5447802 -0.5189730 0.0663445 -0.6079583 1.2011219 -0.1586703 -0.0434147 -0.0833156 1.2896780 19 Zn 1.5447802 0.5189730 0.0663445 0.6079583 1.2011219 0.1586703 -0.0434147 0.0833156 1.2896780 20 Zn 1.5447802 -0.5189730 0.0663445 -0.6079583 1.2011219 -0.1586703 -0.0434147 -0.0833156 1.2896780 21 Zn 1.4113051 -0.0220589 -0.0546515 0.0786290 1.7650836 -0.0802345 -0.0465304 -0.0711538 1.5867684 22 Zn 1.4113051 0.0220589 -0.0546515 -0.0786290 1.7650836 0.0802345 -0.0465304 0.0711538 1.5867684 23 Zn 1.4113051 -0.0220589 -0.0546515 0.0786290 1.7650836 -0.0802345 -0.0465304 -0.0711538 1.5867684 24 Zn 1.4113051 0.0220589 -0.0546515 -0.0786290 1.7650836 0.0802345 -0.0465304 0.0711538 1.5867684 ---------------------------------------------------------------------------- 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] [-0.0021 0.0000 0.0098] [ 0.0021 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] [-0.0021 0.0000 0.0098] [ 0.0021 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] [-0.0021 0.0000 0.0098] [ 0.0021 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] [-0.0021 0.0000 0.0098] [ 0.0021 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] [-0.0021 0.0000 0.0098] [ 0.0021 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (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 18:49:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:49:50]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.751439592373938 0.000000000000000 0.000000000000000 b 0.000000000000000 7.227135800000000 0.000000000000000 c -1.609046851862421 0.000000000000000 7.324411663797471 Atomic positions (fractional): 1 P 0.57560524303361 0.24331603281317 0.39497320284284 30.974 2 P 0.42439475696639 0.74331603281317 0.10502679715716 30.974 3 P 0.42439475696639 0.75668396718683 0.60502679715716 30.974 4 P 0.57560524303361 0.25668396718683 0.89497320284284 30.974 5 P 0.74264110810171 0.01502786170103 0.42884250021165 30.974 6 P 0.25735889189829 0.51502786170103 0.07115749978835 30.974 7 P 0.25735889189829 0.98497213829897 0.57115749978835 30.974 8 P 0.74264110810171 0.48497213829897 0.92884250021165 30.974 9 P 0.87623492992224 0.42532755769639 0.71636503886375 30.974 10 P 0.12376507007776 0.92532755769639 0.78363496113625 30.974 11 P 0.12376507007776 0.57467244230361 0.28363496113625 30.974 12 P 0.87623492992224 0.07467244230361 0.21636503886375 30.974 13 P 0.73501685711009 0.01901436323336 0.93926443681832 30.974 14 P 0.26498314288991 0.51901436323336 0.56073556318168 30.974 15 P 0.26498314288991 0.98098563676664 0.06073556318168 30.974 16 P 0.73501685711009 0.48098563676664 0.43926443681832 30.974 17 Zn 0.89222202302908 0.40425433525827 0.22436736881410 65.380 18 Zn 0.10777797697092 0.90425433525827 0.27563263118590 65.380 19 Zn 0.10777797697092 0.59574566474173 0.77563263118590 65.380 20 Zn 0.89222202302908 0.09574566474173 0.72436736881410 65.380 21 Zn 0.58233487331308 0.75278915558058 0.39428362139339 65.380 22 Zn 0.41766512668692 0.25278915558058 0.10571637860661 65.380 23 Zn 0.41766512668692 0.24721084441942 0.60571637860661 65.380 24 Zn 0.58233487331308 0.74721084441942 0.89428362139339 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.751439592373938 0.000000000000000 0.000000000000000 b 0.000000000000000 14.454271600000000 0.000000000000000 c -3.218093703724842 0.000000000000000 14.648823327594942 Atomic positions (fractional): 1 P 0.57560524303361 0.12165801640659 0.19748660142142 30.974 > 1 2 P 0.57560524303361 0.62165801640659 0.19748660142142 30.974 > 1 3 P 0.57560524303361 0.12165801640659 0.69748660142142 30.974 > 1 4 P 0.57560524303361 0.62165801640659 0.69748660142142 30.974 > 1 5 P 0.42439475696639 0.37165801640659 0.05251339857858 30.974 > 5 6 P 0.42439475696639 0.87165801640659 0.05251339857858 30.974 > 5 7 P 0.42439475696639 0.37165801640659 0.55251339857858 30.974 > 5 8 P 0.42439475696639 0.87165801640659 0.55251339857858 30.974 > 5 9 P 0.42439475696639 0.37834198359341 0.30251339857858 30.974 > 9 10 P 0.42439475696639 0.87834198359341 0.30251339857858 30.974 > 9 11 P 0.42439475696639 0.37834198359341 0.80251339857858 30.974 > 9 12 P 0.42439475696639 0.87834198359341 0.80251339857858 30.974 > 9 13 P 0.57560524303361 0.12834198359341 0.44748660142142 30.974 > 13 14 P 0.57560524303361 0.62834198359341 0.44748660142142 30.974 > 13 15 P 0.57560524303361 0.12834198359341 0.94748660142142 30.974 > 13 16 P 0.57560524303361 0.62834198359341 0.94748660142142 30.974 > 13 17 P 0.74264110810171 0.00751393085051 0.21442125010583 30.974 > 17 18 P 0.74264110810171 0.50751393085051 0.21442125010583 30.974 > 17 19 P 0.74264110810171 0.00751393085051 0.71442125010583 30.974 > 17 20 P 0.74264110810171 0.50751393085051 0.71442125010583 30.974 > 17 21 P 0.25735889189829 0.25751393085051 0.03557874989417 30.974 > 21 22 P 0.25735889189829 0.75751393085051 0.03557874989417 30.974 > 21 23 P 0.25735889189829 0.25751393085051 0.53557874989417 30.974 > 21 24 P 0.25735889189829 0.75751393085051 0.53557874989417 30.974 > 21 25 P 0.25735889189829 0.49248606914949 0.28557874989417 30.974 > 25 26 P 0.25735889189829 0.99248606914949 0.28557874989417 30.974 > 25 27 P 0.25735889189829 0.49248606914949 0.78557874989417 30.974 > 25 28 P 0.25735889189829 0.99248606914949 0.78557874989417 30.974 > 25 29 P 0.74264110810171 0.24248606914949 0.46442125010583 30.974 > 29 30 P 0.74264110810171 0.74248606914949 0.46442125010583 30.974 > 29 31 P 0.74264110810171 0.24248606914949 0.96442125010583 30.974 > 29 32 P 0.74264110810171 0.74248606914949 0.96442125010583 30.974 > 29 33 P 0.87623492992224 0.21266377884819 0.35818251943187 30.974 > 33 34 P 0.87623492992224 0.71266377884819 0.35818251943187 30.974 > 33 35 P 0.87623492992224 0.21266377884819 0.85818251943187 30.974 > 33 36 P 0.87623492992224 0.71266377884819 0.85818251943187 30.974 > 33 37 P 0.12376507007776 0.46266377884819 0.39181748056813 30.974 > 37 38 P 0.12376507007776 0.96266377884819 0.39181748056813 30.974 > 37 39 P 0.12376507007776 0.46266377884819 0.89181748056813 30.974 > 37 40 P 0.12376507007776 0.96266377884819 0.89181748056813 30.974 > 37 41 P 0.12376507007776 0.28733622115181 0.14181748056813 30.974 > 41 42 P 0.12376507007776 0.78733622115181 0.14181748056813 30.974 > 41 43 P 0.12376507007776 0.28733622115181 0.64181748056813 30.974 > 41 44 P 0.12376507007776 0.78733622115181 0.64181748056813 30.974 > 41 45 P 0.87623492992224 0.03733622115181 0.10818251943187 30.974 > 45 46 P 0.87623492992224 0.53733622115181 0.10818251943187 30.974 > 45 47 P 0.87623492992224 0.03733622115181 0.60818251943187 30.974 > 45 48 P 0.87623492992224 0.53733622115181 0.60818251943187 30.974 > 45 49 P 0.73501685711009 0.00950718161668 0.46963221840916 30.974 > 49 50 P 0.73501685711009 0.50950718161668 0.46963221840916 30.974 > 49 51 P 0.73501685711009 0.00950718161668 0.96963221840916 30.974 > 49 52 P 0.73501685711009 0.50950718161668 0.96963221840916 30.974 > 49 53 P 0.26498314288991 0.25950718161668 0.28036778159084 30.974 > 53 54 P 0.26498314288991 0.75950718161668 0.28036778159084 30.974 > 53 55 P 0.26498314288991 0.25950718161668 0.78036778159084 30.974 > 53 56 P 0.26498314288991 0.75950718161668 0.78036778159084 30.974 > 53 57 P 0.26498314288991 0.49049281838332 0.03036778159084 30.974 > 57 58 P 0.26498314288991 0.99049281838332 0.03036778159084 30.974 > 57 59 P 0.26498314288991 0.49049281838332 0.53036778159084 30.974 > 57 60 P 0.26498314288991 0.99049281838332 0.53036778159084 30.974 > 57 61 P 0.73501685711009 0.24049281838332 0.21963221840916 30.974 > 61 62 P 0.73501685711009 0.74049281838332 0.21963221840916 30.974 > 61 63 P 0.73501685711009 0.24049281838332 0.71963221840916 30.974 > 61 64 P 0.73501685711009 0.74049281838332 0.71963221840916 30.974 > 61 65 Zn 0.89222202302908 0.20212716762913 0.11218368440705 65.380 > 65 66 Zn 0.89222202302908 0.70212716762913 0.11218368440705 65.380 > 65 67 Zn 0.89222202302908 0.20212716762913 0.61218368440705 65.380 > 65 68 Zn 0.89222202302908 0.70212716762913 0.61218368440705 65.380 > 65 69 Zn 0.10777797697092 0.45212716762913 0.13781631559295 65.380 > 69 70 Zn 0.10777797697092 0.95212716762913 0.13781631559295 65.380 > 69 71 Zn 0.10777797697092 0.45212716762913 0.63781631559295 65.380 > 69 72 Zn 0.10777797697092 0.95212716762913 0.63781631559295 65.380 > 69 73 Zn 0.10777797697092 0.29787283237087 0.38781631559295 65.380 > 73 74 Zn 0.10777797697092 0.79787283237087 0.38781631559295 65.380 > 73 75 Zn 0.10777797697092 0.29787283237087 0.88781631559295 65.380 > 73 76 Zn 0.10777797697092 0.79787283237087 0.88781631559295 65.380 > 73 77 Zn 0.89222202302908 0.04787283237087 0.36218368440705 65.380 > 77 78 Zn 0.89222202302908 0.54787283237087 0.36218368440705 65.380 > 77 79 Zn 0.89222202302908 0.04787283237087 0.86218368440705 65.380 > 77 80 Zn 0.89222202302908 0.54787283237087 0.86218368440705 65.380 > 77 81 Zn 0.58233487331308 0.37639457779029 0.19714181069670 65.380 > 81 82 Zn 0.58233487331308 0.87639457779029 0.19714181069670 65.380 > 81 83 Zn 0.58233487331308 0.37639457779029 0.69714181069670 65.380 > 81 84 Zn 0.58233487331308 0.87639457779029 0.69714181069670 65.380 > 81 85 Zn 0.41766512668692 0.12639457779029 0.05285818930330 65.380 > 85 86 Zn 0.41766512668692 0.62639457779029 0.05285818930330 65.380 > 85 87 Zn 0.41766512668692 0.12639457779029 0.55285818930330 65.380 > 85 88 Zn 0.41766512668692 0.62639457779029 0.55285818930330 65.380 > 85 89 Zn 0.41766512668692 0.12360542220971 0.30285818930330 65.380 > 89 90 Zn 0.41766512668692 0.62360542220971 0.30285818930330 65.380 > 89 91 Zn 0.41766512668692 0.12360542220971 0.80285818930330 65.380 > 89 92 Zn 0.41766512668692 0.62360542220971 0.80285818930330 65.380 > 89 93 Zn 0.58233487331308 0.37360542220971 0.44714181069670 65.380 > 93 94 Zn 0.58233487331308 0.87360542220971 0.44714181069670 65.380 > 93 95 Zn 0.58233487331308 0.37360542220971 0.94714181069670 65.380 > 93 96 Zn 0.58233487331308 0.87360542220971 0.94714181069670 65.380 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.4896516 0.0000000 -0.7515308 0.0000000 10.4337296 0.0000000 -0.7515299 0.0000000 14.3147856 -------------------------- Born effective charges -------------------------- 1 P -1.1418719 0.0329676 -0.2210079 -0.0603093 -0.4054037 0.0800295 -0.1335565 -0.4961462 -0.2774001 2 P -1.1418719 -0.0329676 -0.2210079 0.0603093 -0.4054037 -0.0800295 -0.1335565 0.4961462 -0.2774001 3 P -1.1418719 0.0329676 -0.2210079 -0.0603093 -0.4054037 0.0800295 -0.1335565 -0.4961462 -0.2774001 4 P -1.1418719 -0.0329676 -0.2210079 0.0603093 -0.4054037 -0.0800295 -0.1335565 0.4961462 -0.2774001 5 P -0.3838176 0.0951959 -0.2521330 0.1101880 -0.8445246 0.1222735 -0.2129456 0.1584217 -0.9795401 6 P -0.3838176 -0.0951959 -0.2521330 -0.1101880 -0.8445246 -0.1222735 -0.2129456 -0.1584217 -0.9795401 7 P -0.3838176 0.0951959 -0.2521330 0.1101880 -0.8445246 0.1222735 -0.2129456 0.1584217 -0.9795401 8 P -0.3838176 -0.0951959 -0.2521330 -0.1101880 -0.8445246 -0.1222735 -0.2129456 -0.1584217 -0.9795401 9 P -0.6860972 0.2194502 0.0061304 -0.1293084 -0.9352924 -0.0063457 -0.0216728 0.0986112 -0.5857184 10 P -0.6860972 -0.2194502 0.0061304 0.1293084 -0.9352924 0.0063457 -0.0216728 -0.0986112 -0.5857184 11 P -0.6860972 0.2194502 0.0061304 -0.1293084 -0.9352924 -0.0063457 -0.0216728 0.0986112 -0.5857184 12 P -0.6860972 -0.2194502 0.0061304 0.1293084 -0.9352924 0.0063457 -0.0216728 -0.0986112 -0.5857184 13 P -0.7442986 0.0465383 0.4553176 0.1177644 -0.7809846 -0.0409171 0.4581200 -0.0719369 -1.0337879 14 P -0.7442986 -0.0465383 0.4553176 -0.1177644 -0.7809846 0.0409171 0.4581200 0.0719369 -1.0337879 15 P -0.7442986 0.0465383 0.4553176 0.1177644 -0.7809846 -0.0409171 0.4581200 -0.0719369 -1.0337879 16 P -0.7442986 -0.0465383 0.4553176 -0.1177644 -0.7809846 0.0409171 0.4581200 0.0719369 -1.0337879 17 Zn 1.5447802 0.5189730 0.0663445 0.6079583 1.2011219 0.1586703 -0.0434147 0.0833156 1.2896780 18 Zn 1.5447802 -0.5189730 0.0663445 -0.6079583 1.2011219 -0.1586703 -0.0434147 -0.0833156 1.2896780 19 Zn 1.5447802 0.5189730 0.0663445 0.6079583 1.2011219 0.1586703 -0.0434147 0.0833156 1.2896780 20 Zn 1.5447802 -0.5189730 0.0663445 -0.6079583 1.2011219 -0.1586703 -0.0434147 -0.0833156 1.2896780 21 Zn 1.4113051 -0.0220589 -0.0546515 0.0786290 1.7650836 -0.0802345 -0.0465304 -0.0711538 1.5867684 22 Zn 1.4113051 0.0220589 -0.0546515 -0.0786290 1.7650836 0.0802345 -0.0465304 0.0711538 1.5867684 23 Zn 1.4113051 -0.0220589 -0.0546515 0.0786290 1.7650836 -0.0802345 -0.0465304 -0.0711538 1.5867684 24 Zn 1.4113051 0.0220589 -0.0546515 -0.0786290 1.7650836 0.0802345 -0.0465304 0.0711538 1.5867684 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 7 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: 0.54, Number of G-points: 299, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 88 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 2.007 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.994 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.311 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.853 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 6.211 ( 0.000 0.000 0.000) 0.000 6.434 ( 0.000 0.000 0.000) 0.000 6.441 ( 0.000 0.000 0.000) 0.000 6.811 ( 0.000 0.000 0.000) 0.000 7.011 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 8.043 ( 0.000 0.000 0.000) 0.000 8.123 ( 0.000 0.000 0.000) 0.000 8.460 ( 0.000 0.000 0.000) 0.000 8.564 ( 0.000 0.000 0.000) 0.000 9.787 ( 0.000 0.000 0.000) 0.000 9.799 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 9.907 ( 0.000 0.000 0.000) 0.000 10.216 ( 0.000 0.000 0.000) 0.000 10.259 ( 0.000 0.000 0.000) 0.000 10.543 ( 0.000 0.000 0.000) 0.000 10.543 ( 0.000 0.000 0.000) 0.000 10.560 ( 0.000 0.000 0.000) 0.000 10.813 ( 0.000 0.000 0.000) 0.000 10.947 ( 0.000 0.000 0.000) 0.000 10.999 ( 0.000 0.000 0.000) 0.000 11.030 ( 0.000 0.000 0.000) 0.000 11.395 ( 0.000 0.000 0.000) 0.000 11.780 ( 0.000 0.000 0.000) 0.000 12.006 ( 0.000 0.000 0.000) 0.000 12.803 ( 0.000 0.000 0.000) 0.000 12.862 ( 0.000 0.000 0.000) 0.000 12.904 ( 0.000 0.000 0.000) 0.000 12.949 ( 0.000 0.000 0.000) 0.000 13.006 ( 0.000 0.000 0.000) 0.000 13.040 ( 0.000 0.000 0.000) 0.000 13.267 ( 0.000 0.000 0.000) 0.000 13.290 ( 0.000 0.000 0.000) 0.000 13.405 ( 0.000 0.000 0.000) 0.000 13.557 ( 0.000 0.000 0.000) 0.000 13.581 ( 0.000 0.000 0.000) 0.000 13.629 ( 0.000 0.000 0.000) 0.000 13.728 ( 0.000 0.000 0.000) 0.000 13.868 ( 0.000 0.000 0.000) 0.000 13.881 ( 0.000 0.000 0.000) 0.000 13.901 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 29.278 0.000 3.157) 29.448 0.653 ( 31.343 0.000 9.615) 32.785 1.107 ( 52.121 0.000 20.235) 55.911 2.040 ( 3.460 0.000 -0.153) 3.463 2.340 ( -10.390 0.000 -2.743) 10.746 2.505 ( -14.725 0.000 -1.575) 14.809 2.689 ( 2.101 0.000 1.910) 2.839 2.701 ( 7.845 0.000 9.754) 12.517 2.802 ( 1.094 0.000 -0.352) 1.149 2.967 ( -2.970 0.000 2.975) 4.203 3.000 ( -10.985 0.000 6.427) 12.727 3.047 ( 1.526 0.000 -3.770) 4.067 3.086 ( -7.941 0.000 -3.035) 8.502 3.306 ( -9.384 0.000 -2.912) 9.826 3.417 ( 3.462 0.000 2.576) 4.315 3.422 ( -1.395 0.000 1.324) 1.923 3.563 ( -3.813 0.000 -0.812) 3.899 3.755 ( -0.929 0.000 -1.671) 1.912 3.758 ( 5.245 0.000 -0.551) 5.274 3.869 ( 3.598 0.000 5.073) 6.219 3.930 ( 3.878 0.000 -6.579) 7.637 4.022 ( -0.019 0.000 -1.707) 1.707 4.045 ( -7.822 0.000 -6.310) 10.049 4.289 ( 15.354 0.000 -7.222) 16.968 4.465 ( 0.022 0.000 11.143) 11.143 5.187 ( -31.838 0.000 -8.314) 32.906 5.328 ( 8.700 0.000 0.153) 8.701 5.928 ( 1.936 0.000 -10.110) 10.293 6.225 ( -0.316 0.000 2.714) 2.732 6.387 ( -5.170 0.000 2.661) 5.814 6.690 ( 16.073 0.000 6.541) 17.353 6.831 ( 3.218 0.000 -3.238) 4.565 7.024 ( 1.413 0.000 1.317) 1.932 7.324 ( -0.887 0.000 2.204) 2.376 7.662 ( -1.631 0.000 0.256) 1.651 7.941 ( -2.016 0.000 0.451) 2.066 8.005 ( -1.769 0.000 -2.596) 3.142 8.176 ( 3.520 0.000 1.139) 3.700 8.314 ( -9.360 0.000 -2.300) 9.639 8.679 ( 6.259 0.000 1.671) 6.479 9.661 ( -6.424 0.000 0.686) 6.461 9.851 ( -0.952 0.000 -0.352) 1.015 9.917 ( 5.396 0.000 -0.273) 5.403 9.930 ( 1.733 0.000 -1.869) 2.549 10.245 ( 0.733 0.000 0.133) 0.745 10.254 ( -0.653 0.000 1.221) 1.384 10.512 ( 0.330 0.000 -1.606) 1.639 10.541 ( -1.833 0.000 -0.269) 1.853 10.607 ( 3.121 0.000 0.333) 3.139 10.813 ( 0.068 0.000 -0.299) 0.307 10.913 ( -1.306 0.000 -4.688) 4.867 10.976 ( -2.097 0.000 -0.179) 2.104 11.092 ( 2.645 0.000 4.326) 5.070 11.385 ( -1.176 0.000 0.426) 1.250 11.799 ( 1.554 0.000 1.312) 2.034 11.996 ( -0.892 0.000 -0.513) 1.029 12.802 ( -0.040 0.000 0.157) 0.162 12.869 ( 0.442 0.000 0.871) 0.977 12.903 ( 0.187 0.000 -1.322) 1.335 12.927 ( -1.920 0.000 -0.752) 2.062 12.998 ( -0.948 0.000 1.508) 1.781 13.046 ( 0.734 0.000 -1.331) 1.520 13.265 ( -0.299 0.000 0.917) 0.964 13.288 ( -0.247 0.000 0.026) 0.249 13.420 ( 1.688 0.000 -0.519) 1.766 13.547 ( -0.271 0.000 -1.239) 1.269 13.600 ( 1.351 0.000 0.292) 1.382 13.613 ( -2.080 0.000 0.697) 2.194 13.741 ( 0.892 0.000 0.841) 1.226 13.874 ( -0.389 0.000 -0.582) 0.700 13.877 ( -0.303 0.000 0.095) 0.317 13.910 ( 0.758 0.000 0.194) 0.783 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 26.732 0.000 3.860) 27.010 1.255 ( 27.452 0.000 7.309) 28.408 1.946 ( 10.341 0.000 7.066) 12.525 2.073 ( -13.398 0.000 -1.805) 13.519 2.131 ( -19.406 0.000 -3.777) 19.770 2.293 ( 36.282 0.000 7.664) 37.083 2.721 ( 0.551 0.000 0.784) 0.958 2.740 ( -12.060 0.000 5.915) 13.433 2.826 ( 1.730 0.000 -0.139) 1.735 2.930 ( -1.461 0.000 2.614) 2.994 2.951 ( 0.630 0.000 4.537) 4.580 2.983 ( -16.957 0.000 -4.797) 17.622 3.061 ( 1.173 0.000 -2.070) 2.379 3.070 ( 10.458 0.000 7.902) 13.108 3.423 ( 0.192 0.000 1.050) 1.067 3.466 ( 0.381 0.000 2.648) 2.675 3.600 ( 4.939 0.000 -0.954) 5.030 3.753 ( 1.049 0.000 -1.744) 2.035 3.803 ( -10.019 0.000 -6.047) 11.702 3.820 ( -0.213 0.000 -1.216) 1.235 3.957 ( -5.222 0.000 -3.707) 6.404 4.001 ( 5.989 0.000 5.603) 8.201 4.065 ( 8.253 0.000 -6.227) 10.339 4.424 ( 2.099 0.000 -9.096) 9.335 4.457 ( -13.650 0.000 3.379) 14.062 4.497 ( -24.280 0.000 -3.047) 24.470 5.525 ( 11.583 0.000 -0.941) 11.621 5.981 ( 7.052 0.000 -8.350) 10.929 6.171 ( -6.321 0.000 -0.813) 6.373 6.298 ( -4.933 0.000 5.868) 7.666 6.847 ( 2.291 0.000 0.368) 2.321 6.946 ( 2.719 0.000 3.005) 4.052 7.142 ( 11.812 0.000 -0.192) 11.814 7.313 ( -1.155 0.000 2.515) 2.767 7.610 ( -4.136 0.000 0.409) 4.156 7.905 ( -1.322 0.000 -0.559) 1.436 7.968 ( -1.278 0.000 -1.157) 1.724 8.145 ( -6.757 0.000 -1.628) 6.950 8.238 ( 2.368 0.000 0.518) 2.424 8.778 ( 3.380 0.000 1.018) 3.530 9.566 ( -3.664 0.000 0.590) 3.712 9.837 ( -0.381 0.000 -0.249) 0.455 9.948 ( 0.731 0.000 -1.079) 1.303 9.986 ( 1.961 0.000 -0.014) 1.961 10.253 ( 0.095 0.000 0.756) 0.762 10.264 ( 1.116 0.000 0.089) 1.120 10.499 ( -2.028 0.000 -0.382) 2.064 10.541 ( 2.777 0.000 0.044) 2.778 10.642 ( 0.310 0.000 -1.440) 1.473 10.813 ( 0.089 0.000 -0.384) 0.394 10.878 ( -0.547 0.000 -2.998) 3.048 10.936 ( -1.672 0.000 0.350) 1.708 11.157 ( 2.268 0.000 3.103) 3.843 11.358 ( -1.603 0.000 0.265) 1.625 11.840 ( 1.824 0.000 1.529) 2.380 11.971 ( -1.278 0.000 -0.808) 1.512 12.806 ( 0.455 0.000 0.389) 0.598 12.880 ( -2.360 0.000 -0.946) 2.543 12.883 ( 0.361 0.000 1.732) 1.770 12.900 ( 0.302 0.000 -2.206) 2.226 12.988 ( -0.678 0.000 1.235) 1.409 13.052 ( 0.444 0.000 -1.042) 1.132 13.265 ( -0.142 0.000 1.229) 1.237 13.281 ( -0.401 0.000 -0.351) 0.533 13.461 ( 2.769 0.000 -0.900) 2.912 13.541 ( 0.075 0.000 -0.966) 0.969 13.568 ( -2.847 0.000 0.812) 2.960 13.624 ( 0.968 0.000 0.046) 0.969 13.761 ( 0.759 0.000 0.729) 1.052 13.862 ( -0.571 0.000 -0.255) 0.625 13.873 ( -0.225 0.000 0.129) 0.259 13.926 ( 0.652 0.000 0.161) 0.672 ======================= Grid point 3 (4/88) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 0.000 0.000 -0.000) 0.000 1.695 ( -0.000 0.000 -0.000) 0.000 1.722 ( -0.000 0.000 0.000) 0.000 1.789 ( 0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.773 ( 0.000 0.000 0.000) 0.000 2.778 ( -0.000 0.000 -0.000) 0.000 2.897 ( 0.000 0.000 -0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 3.068 ( -0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.219 ( -0.000 0.000 -0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.466 ( 0.000 0.000 -0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.682 ( -0.000 0.000 -0.000) 0.000 3.766 ( 0.000 0.000 -0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.820 ( -0.000 0.000 -0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.179 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 -0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.088 ( 0.000 0.000 -0.000) 0.000 6.255 ( 0.000 0.000 -0.000) 0.000 6.872 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 -0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 7.891 ( 0.000 0.000 -0.000) 0.000 7.952 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 8.813 ( 0.000 0.000 0.000) 0.000 9.532 ( 0.000 0.000 -0.000) 0.000 9.833 ( 0.000 0.000 -0.000) 0.000 9.952 ( 0.000 0.000 0.000) 0.000 10.002 ( 0.000 0.000 0.000) 0.000 10.257 ( 0.000 0.000 0.000) 0.000 10.277 ( 0.000 0.000 0.000) 0.000 10.476 ( 0.000 0.000 0.000) 0.000 10.594 ( -0.000 0.000 -0.000) 0.000 10.616 ( 0.000 0.000 0.000) 0.000 10.813 ( 0.000 0.000 0.000) 0.000 10.867 ( 0.000 0.000 -0.000) 0.000 10.922 ( 0.000 0.000 0.000) 0.000 11.189 ( 0.000 0.000 0.000) 0.000 11.339 ( 0.000 0.000 -0.000) 0.000 11.865 ( 0.000 0.000 0.000) 0.000 11.953 ( 0.000 0.000 -0.000) 0.000 12.818 ( 0.000 0.000 0.000) 0.000 12.846 ( 0.000 0.000 -0.000) 0.000 12.892 ( 0.000 0.000 0.000) 0.000 12.897 ( 0.000 0.000 -0.000) 0.000 12.984 ( 0.000 0.000 0.000) 0.000 13.054 ( 0.000 0.000 0.000) 0.000 13.269 ( 0.000 0.000 -0.000) 0.000 13.273 ( 0.000 0.000 0.000) 0.000 13.510 ( 0.000 0.000 -0.000) 0.000 13.518 ( -0.000 0.000 0.000) 0.000 13.540 ( 0.000 0.000 0.000) 0.000 13.634 ( 0.000 0.000 -0.000) 0.000 13.771 ( 0.000 0.000 0.000) 0.000 13.855 ( 0.000 0.000 0.000) 0.000 13.871 ( 0.000 0.000 -0.000) 0.000 13.933 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/88) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 0.000 27.697 0.000) 27.697 0.725 ( 0.000 35.982 0.000) 35.982 1.162 ( 0.000 55.164 0.000) 55.164 2.059 ( 0.000 3.531 0.000) 3.531 2.451 ( 0.000 0.068 0.000) 0.068 2.579 ( 0.000 5.688 0.000) 5.688 2.625 ( 0.000 -4.279 0.000) 4.279 2.781 ( 0.000 -0.186 0.000) 0.186 2.823 ( 0.000 4.097 0.000) 4.097 3.052 ( 0.000 -1.141 0.000) 1.141 3.107 ( 0.000 7.843 0.000) 7.843 3.175 ( 0.000 11.437 0.000) 11.437 3.199 ( 0.000 -2.938 0.000) 2.938 3.338 ( 0.000 0.647 0.000) 0.647 3.350 ( 0.000 5.043 0.000) 5.043 3.390 ( 0.000 -4.253 0.000) 4.253 3.672 ( 0.000 -4.426 0.000) 4.426 3.768 ( 0.000 8.220 0.000) 8.220 3.802 ( 0.000 -8.033 0.000) 8.033 3.845 ( 0.000 2.728 0.000) 2.728 3.980 ( 0.000 12.472 0.000) 12.472 4.072 ( 0.000 6.730 0.000) 6.730 4.121 ( 0.000 2.078 0.000) 2.078 4.207 ( 0.000 6.537 0.000) 6.537 4.434 ( 0.000 1.766 0.000) 1.766 5.096 ( 0.000 -12.613 0.000) 12.613 5.616 ( 0.000 2.153 0.000) 2.153 5.960 ( 0.000 1.551 0.000) 1.551 6.251 ( 0.000 1.609 0.000) 1.609 6.427 ( 0.000 -2.819 0.000) 2.819 6.530 ( 0.000 4.233 0.000) 4.233 6.799 ( 0.000 -1.240 0.000) 1.240 6.973 ( 0.000 -3.874 0.000) 3.874 7.345 ( 0.000 -3.269 0.000) 3.269 7.517 ( 0.000 -1.753 0.000) 1.753 7.955 ( 0.000 -1.118 0.000) 1.118 7.998 ( 0.000 -4.028 0.000) 4.028 8.103 ( 0.000 -1.992 0.000) 1.992 8.460 ( 0.000 -0.024 0.000) 0.024 8.549 ( 0.000 -1.417 0.000) 1.417 9.736 ( 0.000 -5.783 0.000) 5.783 9.746 ( 0.000 -5.010 0.000) 5.010 9.868 ( 0.000 -0.796 0.000) 0.796 9.876 ( 0.000 -2.625 0.000) 2.625 10.237 ( 0.000 1.492 0.000) 1.492 10.289 ( 0.000 3.454 0.000) 3.454 10.529 ( 0.000 -1.409 0.000) 1.409 10.575 ( 0.000 2.819 0.000) 2.819 10.579 ( 0.000 1.555 0.000) 1.555 10.816 ( 0.000 0.282 0.000) 0.282 10.937 ( 0.000 -1.019 0.000) 1.019 10.971 ( 0.000 -3.660 0.000) 3.660 11.048 ( 0.000 1.783 0.000) 1.783 11.380 ( 0.000 -1.565 0.000) 1.565 11.789 ( 0.000 0.935 0.000) 0.935 12.002 ( 0.000 -1.331 0.000) 1.331 12.800 ( 0.000 -0.195 0.000) 0.195 12.855 ( 0.000 -0.730 0.000) 0.730 12.906 ( 0.000 0.261 0.000) 0.261 12.957 ( 0.000 -0.264 0.000) 0.264 13.012 ( 0.000 0.563 0.000) 0.563 13.038 ( 0.000 -0.127 0.000) 0.127 13.269 ( 0.000 0.247 0.000) 0.247 13.289 ( 0.000 -0.141 0.000) 0.141 13.414 ( 0.000 0.866 0.000) 0.866 13.535 ( 0.000 -2.002 0.000) 2.002 13.558 ( 0.000 -2.158 0.000) 2.158 13.628 ( 0.000 -0.290 0.000) 0.290 13.726 ( 0.000 -0.407 0.000) 0.407 13.828 ( 0.000 -2.904 0.000) 2.904 13.898 ( 0.000 0.845 0.000) 0.845 13.906 ( 0.000 0.268 0.000) 0.268 ======================= Grid point 8 (6/88) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 17.061 18.620 0.574) 25.261 0.877 ( 19.218 20.323 12.120) 30.483 1.649 ( 34.806 40.330 10.888) 54.374 2.085 ( 3.473 3.270 -0.581) 4.806 2.338 ( -10.380 -0.256 -2.221) 10.618 2.559 ( -10.396 4.296 0.046) 11.249 2.653 ( -0.351 -1.773 -0.902) 2.020 2.712 ( 0.237 -0.961 4.629) 4.734 2.819 ( 4.282 2.323 3.915) 6.249 2.994 ( -7.186 1.576 3.387) 8.099 3.067 ( -2.379 5.395 -1.580) 6.104 3.178 ( -0.543 13.257 1.566) 13.360 3.215 ( -1.902 10.769 -1.009) 10.982 3.303 ( -1.745 -1.249 0.457) 2.194 3.387 ( -0.765 -2.221 0.964) 2.539 3.415 ( 2.016 -0.812 4.283) 4.803 3.533 ( -10.793 -0.826 -4.509) 11.726 3.739 ( 3.716 -6.595 -1.535) 7.725 3.788 ( -0.275 1.462 -0.506) 1.572 3.839 ( 0.114 5.254 -1.826) 5.564 3.946 ( 1.390 2.242 -1.344) 2.960 4.062 ( -5.590 2.615 -6.997) 9.330 4.115 ( 1.232 7.888 -0.652) 8.010 4.353 ( 12.554 5.175 -6.596) 15.096 4.485 ( 0.250 2.081 11.149) 11.344 5.159 ( -8.869 -5.101 -2.577) 10.551 5.316 ( -9.252 1.040 -3.223) 9.852 5.950 ( 1.941 2.313 -9.150) 9.635 6.240 ( -1.992 0.697 1.966) 2.884 6.384 ( -5.897 -1.619 2.132) 6.476 6.705 ( 12.711 1.424 5.980) 14.119 6.821 ( 3.618 -1.026 -3.300) 5.004 6.985 ( 1.642 -3.863 0.883) 4.289 7.398 ( -2.912 4.671 1.569) 5.724 7.491 ( 2.425 -12.247 1.284) 12.551 7.940 ( -1.901 -0.145 0.872) 2.097 7.964 ( -1.458 -3.976 -2.789) 5.071 8.152 ( 3.367 -2.371 0.925) 4.221 8.328 ( -7.966 1.397 -1.876) 8.302 8.659 ( 6.028 -1.984 1.620) 6.550 9.642 ( -5.624 -2.207 0.461) 6.060 9.772 ( 0.611 -6.548 0.833) 6.629 9.872 ( -0.045 -3.532 -2.306) 4.218 9.927 ( 4.389 -1.421 0.044) 4.614 10.248 ( 0.698 0.964 0.642) 1.352 10.295 ( 0.203 3.641 0.596) 3.695 10.520 ( -1.023 -1.500 -0.468) 1.875 10.550 ( -0.037 2.906 -1.381) 3.217 10.627 ( 2.661 1.604 0.196) 3.113 10.813 ( -0.130 0.012 -0.563) 0.578 10.909 ( -1.222 -0.364 -4.066) 4.261 10.947 ( -1.975 -3.087 0.266) 3.674 11.092 ( 2.499 0.548 3.952) 4.708 11.368 ( -1.246 -1.665 0.251) 2.095 11.807 ( 1.417 0.766 1.251) 2.040 11.988 ( -1.063 -1.007 -0.532) 1.558 12.801 ( 0.046 -0.111 0.167) 0.205 12.860 ( 0.302 -0.796 0.823) 1.184 12.905 ( 0.126 0.202 -1.397) 1.418 12.934 ( -1.846 0.300 -0.570) 1.956 13.005 ( -0.866 0.637 1.376) 1.746 13.044 ( 0.615 -0.196 -1.046) 1.229 13.267 ( -0.302 0.148 0.482) 0.588 13.286 ( -0.235 -0.149 -0.186) 0.334 13.429 ( 1.478 0.775 -0.004) 1.669 13.524 ( -0.368 -2.030 -1.152) 2.363 13.567 ( 0.158 -2.397 0.286) 2.419 13.624 ( -0.371 0.225 0.418) 0.602 13.734 ( 0.604 -0.766 0.668) 1.182 13.827 ( -0.117 -3.243 -0.345) 3.264 13.893 ( -0.444 0.775 0.175) 0.910 13.916 ( 0.790 0.464 0.141) 0.927 ======================= Grid point 9 (7/88) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 24.201 5.501 0.192) 24.819 1.374 ( 24.494 9.412 12.448) 29.043 1.990 ( -8.799 0.295 0.940) 8.854 2.115 ( -7.209 4.422 0.446) 8.468 2.252 ( -14.778 10.456 -4.580) 18.674 2.454 ( 25.516 13.738 4.319) 29.299 2.672 ( 0.512 -3.610 0.923) 3.761 2.732 ( 0.656 1.155 5.690) 5.843 2.862 ( -2.620 3.070 0.165) 4.040 2.950 ( 1.499 1.983 5.275) 5.831 3.035 ( -4.378 5.511 -0.098) 7.039 3.103 ( -1.265 6.365 1.033) 6.571 3.153 ( -1.420 16.596 1.127) 16.695 3.229 ( 1.550 11.481 1.071) 11.635 3.375 ( 0.641 -3.384 0.323) 3.460 3.464 ( 0.920 0.425 2.367) 2.575 3.562 ( 6.928 -4.509 1.143) 8.345 3.741 ( -1.577 -5.457 -2.754) 6.313 3.777 ( 0.087 1.914 -2.845) 3.430 3.817 ( -6.506 2.112 -0.086) 6.841 3.932 ( 2.053 0.324 -5.812) 6.172 4.054 ( 3.993 4.563 2.336) 6.498 4.150 ( 3.739 6.800 -3.674) 8.586 4.445 ( -3.813 1.941 -8.435) 9.458 4.491 ( -4.125 1.924 9.579) 10.606 4.571 ( -28.705 8.612 -8.587) 31.175 5.512 ( 14.108 -2.052 1.018) 14.293 5.990 ( 6.081 1.285 -8.888) 10.846 6.150 ( -7.994 -2.399 -0.856) 8.390 6.295 ( -4.391 -0.105 5.315) 6.895 6.825 ( 1.972 -2.243 0.466) 3.022 6.915 ( 1.580 -3.159 2.757) 4.481 7.097 ( 8.401 -4.573 -0.419) 9.574 7.328 ( -1.098 -0.320 1.185) 1.647 7.528 ( -1.521 -5.809 1.121) 6.108 7.906 ( -1.412 0.098 -0.290) 1.445 7.939 ( -0.129 -2.498 -1.114) 2.738 8.180 ( -4.367 2.753 -1.264) 5.315 8.218 ( 1.084 -1.511 0.397) 1.902 8.756 ( 3.380 -2.262 0.972) 4.182 9.556 ( -3.369 -1.053 0.550) 3.572 9.789 ( 0.652 -5.065 1.525) 5.329 9.854 ( -0.676 -5.555 -2.530) 6.141 9.997 ( 2.549 -1.460 0.008) 2.938 10.259 ( 0.078 0.736 0.775) 1.072 10.308 ( 0.997 4.063 -0.022) 4.184 10.485 ( -1.916 -1.310 -0.280) 2.338 10.572 ( 2.337 2.740 -0.298) 3.613 10.659 ( 0.424 1.467 -1.379) 2.058 10.807 ( -0.192 -0.714 -0.544) 0.918 10.876 ( -0.519 -0.247 -2.959) 3.014 10.915 ( -1.450 -2.086 1.019) 2.737 11.152 ( 2.102 -0.263 2.822) 3.528 11.340 ( -1.585 -1.756 0.158) 2.371 11.844 ( 1.645 0.412 1.439) 2.224 11.963 ( -1.231 -0.866 -0.754) 1.684 12.807 ( 0.547 0.064 0.410) 0.686 12.863 ( -0.860 -0.945 0.440) 1.351 12.895 ( -0.456 0.443 -0.903) 1.104 12.904 ( -0.365 0.415 -0.822) 0.991 12.995 ( -0.606 0.733 1.060) 1.424 13.050 ( 0.374 -0.253 -0.754) 0.879 13.265 ( -0.143 -0.039 0.778) 0.792 13.278 ( -0.390 -0.200 -0.495) 0.661 13.466 ( 2.316 0.377 -0.316) 2.367 13.516 ( -0.062 -2.154 -0.815) 2.304 13.553 ( -1.684 -1.497 0.442) 2.296 13.626 ( 0.373 0.099 0.108) 0.401 13.749 ( 0.504 -1.264 0.672) 1.517 13.821 ( -0.349 -3.461 -0.336) 3.495 13.886 ( -0.279 1.118 0.206) 1.171 13.931 ( 0.626 0.402 0.140) 0.757 ======================= Grid point 10 (8/88) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 0.364 -0.000) 0.364 1.717 ( 0.000 0.844 0.000) 0.844 1.790 ( -0.000 7.945 -0.000) 7.945 1.925 ( 0.000 7.920 0.000) 7.920 2.132 ( 0.000 8.137 -0.000) 8.137 2.567 ( 0.000 -8.266 0.000) 8.266 2.675 ( -0.000 4.287 -0.000) 4.287 2.680 ( 0.000 -4.596 0.000) 4.596 2.915 ( 0.000 3.957 0.000) 3.957 2.958 ( 0.000 4.613 0.000) 4.613 3.138 ( 0.000 18.554 -0.000) 18.554 3.159 ( 0.000 6.781 0.000) 6.781 3.232 ( -0.000 -0.549 -0.000) 0.549 3.262 ( 0.000 2.714 -0.000) 2.714 3.419 ( -0.000 20.595 -0.000) 20.595 3.464 ( 0.000 0.310 0.000) 0.310 3.588 ( 0.000 -0.508 0.000) 0.508 3.712 ( 0.000 -1.320 0.000) 1.320 3.713 ( -0.000 0.310 -0.000) 0.310 3.863 ( -0.000 4.365 -0.000) 4.365 3.869 ( 0.000 3.418 0.000) 3.418 4.032 ( 0.000 -1.044 0.000) 1.044 4.127 ( 0.000 3.212 -0.000) 3.212 4.213 ( 0.000 4.582 0.000) 4.582 4.442 ( 0.000 2.327 -0.000) 2.327 4.460 ( 0.000 4.736 0.000) 4.736 5.700 ( 0.000 1.910 0.000) 1.910 6.021 ( 0.000 -4.450 0.000) 4.450 6.049 ( 0.000 -0.630 -0.000) 0.630 6.258 ( 0.000 0.390 -0.000) 0.390 6.846 ( 0.000 -2.606 0.000) 2.606 6.926 ( 0.000 -3.715 -0.000) 3.715 7.159 ( 0.000 -9.190 0.000) 9.190 7.404 ( -0.000 4.923 0.000) 4.923 7.454 ( 0.000 -8.272 0.000) 8.272 7.890 ( 0.000 0.067 -0.000) 0.067 7.942 ( 0.000 -1.182 0.000) 1.182 8.123 ( 0.000 4.951 0.000) 4.951 8.238 ( 0.000 -2.581 -0.000) 2.581 8.791 ( 0.000 -2.274 0.000) 2.274 9.524 ( 0.000 -0.744 -0.000) 0.744 9.803 ( 0.000 -2.622 -0.000) 2.622 9.837 ( 0.000 -8.127 0.000) 8.127 10.021 ( 0.000 -1.085 -0.000) 1.085 10.261 ( 0.000 0.677 0.000) 0.677 10.320 ( 0.000 3.964 0.000) 3.964 10.463 ( 0.000 -1.183 0.000) 1.183 10.612 ( -0.000 1.741 -0.000) 1.741 10.641 ( 0.000 2.113 0.000) 2.113 10.804 ( 0.000 -1.007 0.000) 1.007 10.865 ( 0.000 -0.179 0.000) 0.179 10.904 ( 0.000 -1.747 0.000) 1.747 11.182 ( 0.000 -0.576 0.000) 0.576 11.321 ( 0.000 -1.727 -0.000) 1.727 11.867 ( 0.000 0.195 0.000) 0.195 11.945 ( 0.000 -0.748 0.000) 0.748 12.821 ( 0.000 0.194 0.000) 0.194 12.841 ( 0.000 -0.413 0.000) 0.413 12.896 ( 0.000 -0.057 -0.000) 0.057 12.898 ( 0.000 0.425 0.000) 0.425 12.992 ( 0.000 0.771 0.000) 0.771 13.052 ( 0.000 -0.253 -0.000) 0.253 13.268 ( 0.000 -0.143 0.000) 0.143 13.271 ( 0.000 -0.213 -0.000) 0.213 13.505 ( 0.000 -0.733 -0.000) 0.733 13.510 ( 0.000 -1.284 0.000) 1.284 13.524 ( 0.000 -0.879 -0.000) 0.879 13.631 ( 0.000 -0.225 0.000) 0.225 13.756 ( 0.000 -1.452 0.000) 1.452 13.816 ( 0.000 -3.561 -0.000) 3.561 13.884 ( 0.000 1.283 -0.000) 1.283 13.938 ( 0.000 0.371 0.000) 0.371 ======================= Grid point 14 (9/88) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.000 25.339 0.000) 25.339 1.404 ( 0.000 31.993 0.000) 31.993 2.051 ( 0.000 26.128 0.000) 26.128 2.081 ( 0.000 0.453 0.000) 0.453 2.450 ( 0.000 -0.338 0.000) 0.338 2.507 ( 0.000 -5.946 0.000) 5.946 2.723 ( 0.000 8.414 0.000) 8.414 2.786 ( 0.000 1.250 0.000) 1.250 2.889 ( 0.000 2.594 0.000) 2.594 3.062 ( 0.000 4.056 0.000) 4.056 3.164 ( 0.000 -1.726 0.000) 1.726 3.171 ( 0.000 5.096 0.000) 5.096 3.302 ( 0.000 -3.532 0.000) 3.532 3.335 ( 0.000 -1.804 0.000) 1.804 3.488 ( 0.000 3.476 0.000) 3.476 3.506 ( 0.000 7.238 0.000) 7.238 3.594 ( 0.000 -3.545 0.000) 3.545 3.672 ( 0.000 8.013 0.000) 8.013 3.855 ( 0.000 2.636 0.000) 2.636 4.027 ( 0.000 11.101 0.000) 11.101 4.088 ( 0.000 -2.886 0.000) 2.886 4.263 ( 0.000 13.417 0.000) 13.417 4.275 ( 0.000 12.372 0.000) 12.372 4.374 ( 0.000 8.345 0.000) 8.345 4.494 ( 0.000 4.538 0.000) 4.538 4.767 ( 0.000 -20.296 0.000) 20.296 5.663 ( 0.000 3.394 0.000) 3.394 6.026 ( 0.000 5.565 0.000) 5.565 6.251 ( 0.000 -4.675 0.000) 4.675 6.357 ( 0.000 -1.521 0.000) 1.521 6.669 ( 0.000 9.365 0.000) 9.365 6.761 ( 0.000 -2.541 0.000) 2.541 6.860 ( 0.000 -7.305 0.000) 7.305 7.249 ( 0.000 -6.409 0.000) 6.409 7.485 ( 0.000 -0.789 0.000) 0.789 7.843 ( 0.000 -8.903 0.000) 8.903 7.964 ( 0.000 -0.265 0.000) 0.265 8.051 ( 0.000 -3.038 0.000) 3.038 8.459 ( 0.000 -0.037 0.000) 0.037 8.514 ( 0.000 -1.908 0.000) 1.908 9.613 ( 0.000 -5.919 0.000) 5.919 9.628 ( 0.000 -6.118 0.000) 6.118 9.823 ( 0.000 -2.345 0.000) 2.345 9.836 ( 0.000 -2.065 0.000) 2.065 10.275 ( 0.000 2.595 0.000) 2.595 10.388 ( 0.000 6.091 0.000) 6.091 10.487 ( 0.000 -2.816 0.000) 2.816 10.609 ( 0.000 1.169 0.000) 1.169 10.635 ( 0.000 2.880 0.000) 2.880 10.827 ( 0.000 0.898 0.000) 0.898 10.867 ( 0.000 -6.041 0.000) 6.041 10.916 ( 0.000 -1.542 0.000) 1.542 11.099 ( 0.000 3.278 0.000) 3.278 11.333 ( 0.000 -3.139 0.000) 3.139 11.817 ( 0.000 1.858 0.000) 1.858 11.965 ( 0.000 -2.321 0.000) 2.321 12.797 ( 0.000 -0.125 0.000) 0.125 12.835 ( 0.000 -1.168 0.000) 1.168 12.914 ( 0.000 0.525 0.000) 0.525 12.950 ( 0.000 -0.465 0.000) 0.465 13.025 ( 0.000 0.622 0.000) 0.622 13.036 ( 0.000 -0.068 0.000) 0.068 13.275 ( 0.000 0.275 0.000) 0.275 13.286 ( 0.000 -0.155 0.000) 0.155 13.429 ( 0.000 0.243 0.000) 0.243 13.500 ( 0.000 -0.801 0.000) 0.801 13.504 ( 0.000 -3.117 0.000) 3.117 13.609 ( 0.000 -1.806 0.000) 1.806 13.713 ( 0.000 -0.663 0.000) 0.663 13.769 ( 0.000 -2.706 0.000) 2.706 13.915 ( 0.000 0.834 0.000) 0.834 13.917 ( 0.000 0.775 0.000) 0.775 ======================= Grid point 15 (10/88) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 6.054 21.335 3.352) 22.429 1.366 ( 2.927 27.021 2.080) 27.258 2.058 ( -2.679 -3.302 2.268) 4.819 2.318 ( 4.695 7.295 -3.582) 9.385 2.371 ( 8.242 10.499 6.334) 14.774 2.551 ( 1.434 -5.283 0.411) 5.489 2.682 ( -1.218 6.591 0.081) 6.703 2.757 ( -8.447 4.453 -2.128) 9.783 2.891 ( 5.023 4.622 4.992) 8.457 3.037 ( -3.330 3.010 0.845) 4.568 3.152 ( -0.421 3.328 -1.872) 3.842 3.225 ( 2.592 1.517 -0.005) 3.003 3.310 ( -2.067 -3.469 4.089) 5.747 3.354 ( 2.775 -0.001 2.488) 3.727 3.454 ( -5.252 -4.744 -0.872) 7.131 3.495 ( -0.961 10.374 1.363) 10.508 3.535 ( 0.930 7.211 -5.110) 8.887 3.640 ( -1.578 3.431 0.913) 3.885 3.887 ( -3.987 5.561 1.748) 7.062 3.932 ( 2.327 4.421 -2.688) 5.673 4.040 ( -5.548 5.838 -4.710) 9.330 4.206 ( 0.715 13.601 -2.815) 13.908 4.305 ( -1.491 9.744 -2.838) 10.257 4.442 ( 6.740 2.783 -3.696) 8.175 4.545 ( 0.250 3.480 8.724) 9.395 4.949 ( 14.025 -15.025 3.597) 20.866 5.415 ( -19.717 8.865 -4.211) 22.025 6.029 ( 2.069 5.924 -5.704) 8.480 6.213 ( -4.811 -5.486 -0.596) 7.321 6.342 ( -2.455 -0.782 2.721) 3.747 6.730 ( 2.083 -0.009 3.420) 4.004 6.801 ( 3.751 -0.572 -1.455) 4.063 6.879 ( 3.947 -5.779 -0.424) 7.011 7.254 ( -1.993 -11.295 0.026) 11.469 7.472 ( 0.819 3.186 1.427) 3.586 7.851 ( 0.968 -7.046 -1.293) 7.229 7.942 ( -1.581 0.303 -0.106) 1.613 8.088 ( 2.821 -3.886 0.632) 4.843 8.369 ( -5.000 2.761 -1.349) 5.869 8.603 ( 4.943 -3.662 1.376) 6.304 9.578 ( -3.221 -3.843 0.734) 5.068 9.633 ( 0.466 -6.749 1.255) 6.880 9.808 ( -0.813 -2.390 -1.593) 2.985 9.878 ( 3.283 -3.128 -0.403) 4.553 10.280 ( 0.310 2.367 0.552) 2.450 10.394 ( 0.534 5.921 0.056) 5.946 10.477 ( -0.998 -2.661 -0.116) 2.844 10.613 ( 1.065 2.813 -2.193) 3.722 10.657 ( 1.682 1.191 0.686) 2.172 10.809 ( -1.234 -1.186 -1.947) 2.592 10.868 ( -0.521 -3.774 2.365) 4.484 10.897 ( -0.993 -0.880 -2.633) 2.948 11.119 ( 1.286 2.216 2.381) 3.498 11.320 ( -1.245 -3.062 0.055) 3.306 11.829 ( 0.997 1.516 0.970) 2.058 11.957 ( -0.728 -2.030 -0.317) 2.180 12.799 ( 0.237 -0.008 0.199) 0.310 12.840 ( 0.273 -1.163 0.608) 1.341 12.911 ( -0.064 0.445 -1.078) 1.168 12.936 ( -1.194 -0.097 -0.495) 1.296 13.020 ( -0.635 0.763 1.162) 1.528 13.040 ( 0.350 -0.150 -0.363) 0.526 13.270 ( -0.309 0.179 -0.380) 0.522 13.282 ( -0.225 -0.218 -0.582) 0.661 13.439 ( 0.874 -0.204 0.476) 1.016 13.484 ( -0.619 -1.691 -0.605) 1.900 13.517 ( 0.476 -1.990 0.186) 2.055 13.613 ( 0.273 -1.498 0.567) 1.624 13.714 ( 0.054 -1.035 0.176) 1.051 13.763 ( -0.541 -2.865 -0.321) 2.934 13.913 ( -0.071 1.127 0.260) 1.159 13.927 ( 0.682 0.593 0.075) 0.907 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 12.964 11.359 0.460) 17.242 1.599 ( 16.309 13.274 8.373) 22.633 1.944 ( -10.955 -4.342 2.158) 11.981 2.206 ( -5.515 4.349 -0.731) 7.062 2.458 ( -10.965 7.510 -3.677) 13.790 2.538 ( -1.878 -3.263 -4.085) 5.556 2.589 ( -1.829 -3.272 0.567) 3.791 2.823 ( 1.336 3.069 3.797) 5.062 2.938 ( 2.310 1.583 1.776) 3.316 3.014 ( 1.394 3.857 2.306) 4.705 3.154 ( -1.625 2.186 2.397) 3.629 3.188 ( 0.595 1.912 -1.948) 2.793 3.325 ( 1.103 -2.678 2.593) 3.887 3.444 ( 2.494 -5.762 0.094) 6.279 3.475 ( 0.591 9.190 -1.040) 9.268 3.509 ( 11.915 20.523 3.433) 23.978 3.542 ( 1.084 5.125 -1.416) 5.426 3.680 ( 6.151 4.997 3.810) 8.794 3.822 ( -1.083 1.708 1.657) 2.614 3.902 ( -6.453 7.464 -2.890) 10.281 4.008 ( 3.272 7.147 -4.446) 9.030 4.205 ( 0.677 9.969 -0.041) 9.992 4.316 ( 3.623 9.829 -3.365) 11.003 4.476 ( -2.663 0.149 -6.125) 6.681 4.544 ( -4.637 4.022 7.736) 9.876 4.818 ( -23.189 15.176 -5.005) 28.162 5.411 ( 17.466 -7.943 3.778) 19.556 6.043 ( -4.995 -0.806 -7.647) 9.169 6.071 ( -2.311 -1.041 -1.230) 2.817 6.301 ( -2.994 0.753 3.878) 4.957 6.762 ( 0.973 -3.972 0.443) 4.114 6.822 ( -0.398 -5.964 1.930) 6.281 6.971 ( 1.754 -7.203 -0.866) 7.464 7.212 ( 0.709 -10.042 -0.257) 10.070 7.512 ( 1.033 3.879 0.854) 4.104 7.874 ( 1.818 -4.243 -0.502) 4.644 7.914 ( -1.098 1.006 -0.302) 1.520 8.139 ( 2.037 -4.641 0.447) 5.089 8.287 ( -2.924 6.221 -0.716) 6.911 8.686 ( 3.101 -4.824 0.816) 5.792 9.524 ( -2.357 -2.016 0.663) 3.172 9.654 ( 0.851 -7.339 1.978) 7.649 9.780 ( -1.157 -1.868 -2.273) 3.162 9.934 ( 2.407 -4.301 -0.235) 4.934 10.287 ( 0.122 2.148 0.582) 2.229 10.407 ( 0.868 5.477 -0.354) 5.557 10.452 ( -1.419 -1.769 0.038) 2.268 10.632 ( 1.636 3.016 -1.158) 3.621 10.686 ( 0.944 0.937 -0.960) 1.640 10.775 ( -1.325 -2.926 -0.566) 3.261 10.864 ( -0.010 -1.361 -1.519) 2.040 10.873 ( -1.036 -1.022 1.089) 1.818 11.155 ( 1.291 0.690 1.971) 2.455 11.293 ( -1.448 -2.848 0.017) 3.195 11.856 ( 1.173 0.823 1.125) 1.822 11.939 ( -0.918 -1.486 -0.502) 1.817 12.809 ( 0.679 0.161 0.414) 0.811 12.844 ( -0.305 -0.944 0.496) 1.110 12.903 ( -0.255 0.356 -1.472) 1.536 12.912 ( -0.806 0.282 -0.098) 0.860 13.013 ( -0.433 0.973 0.827) 1.348 13.044 ( 0.202 -0.236 -0.104) 0.328 13.264 ( -0.173 -0.036 -0.097) 0.202 13.273 ( -0.368 -0.305 -0.799) 0.931 13.460 ( 0.911 -1.589 0.349) 1.865 13.475 ( -0.112 -1.582 -0.546) 1.677 13.521 ( -0.139 -0.980 0.296) 1.033 13.621 ( 0.260 -0.981 0.347) 1.072 13.717 ( 0.227 -1.648 0.469) 1.729 13.748 ( -0.734 -3.173 -0.519) 3.298 13.914 ( 0.034 1.453 0.216) 1.469 13.940 ( 0.545 0.445 0.098) 0.710 ======================= Grid point 17 (12/88) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 2.144 -0.000) 2.144 1.731 ( 0.000 -0.167 -0.000) 0.167 1.949 ( 0.000 6.957 0.000) 6.957 2.025 ( -0.000 3.190 0.000) 3.190 2.300 ( 0.000 6.578 -0.000) 6.578 2.491 ( 0.000 1.552 0.000) 1.552 2.578 ( 0.000 -5.393 -0.000) 5.393 2.804 ( -0.000 8.500 0.000) 8.500 2.990 ( 0.000 4.390 -0.000) 4.390 3.033 ( 0.000 3.441 0.000) 3.441 3.107 ( 0.000 -10.012 0.000) 10.012 3.242 ( -0.000 -0.239 -0.000) 0.239 3.313 ( 0.000 1.868 0.000) 1.868 3.463 ( 0.000 4.164 -0.000) 4.164 3.482 ( 0.000 -4.563 0.000) 4.563 3.548 ( 0.000 -1.130 0.000) 1.130 3.715 ( -0.000 15.796 -0.000) 15.796 3.749 ( 0.000 2.922 0.000) 2.922 3.862 ( 0.000 0.735 0.000) 0.735 3.986 ( -0.000 7.534 -0.000) 7.534 4.019 ( 0.000 24.138 0.000) 24.138 4.179 ( 0.000 15.762 0.000) 15.762 4.220 ( 0.000 6.719 -0.000) 6.719 4.380 ( 0.000 12.144 0.000) 12.144 4.463 ( 0.000 0.572 0.000) 0.572 4.618 ( 0.000 10.785 0.000) 10.785 5.713 ( 0.000 -2.164 0.000) 2.164 5.826 ( -0.000 -14.110 -0.000) 14.110 6.091 ( -0.000 4.114 0.000) 4.114 6.275 ( 0.000 1.374 -0.000) 1.374 6.772 ( 0.000 -4.701 0.000) 4.701 6.821 ( 0.000 -6.397 -0.000) 6.397 6.964 ( 0.000 -9.284 0.000) 9.284 7.244 ( 0.000 -12.122 0.000) 12.122 7.515 ( 0.000 6.477 0.000) 6.477 7.896 ( 0.000 -3.649 -0.000) 3.649 7.903 ( -0.000 1.395 0.000) 1.395 8.161 ( 0.000 -5.045 -0.000) 5.045 8.256 ( 0.000 8.117 0.000) 8.117 8.719 ( 0.000 -5.101 0.000) 5.101 9.502 ( 0.000 -1.394 -0.000) 1.394 9.670 ( 0.000 -8.152 -0.000) 8.152 9.759 ( 0.000 -1.020 0.000) 1.020 9.958 ( 0.000 -4.694 0.000) 4.694 10.289 ( 0.000 2.161 -0.000) 2.161 10.419 ( 0.000 5.679 0.000) 5.679 10.434 ( 0.000 -1.737 -0.000) 1.737 10.654 ( 0.000 2.237 -0.000) 2.237 10.683 ( 0.000 1.838 0.000) 1.838 10.763 ( 0.000 -3.513 0.000) 3.513 10.860 ( -0.000 -0.335 0.000) 0.335 10.866 ( 0.000 -1.592 -0.000) 1.592 11.174 ( 0.000 -0.012 0.000) 0.012 11.276 ( 0.000 -2.654 -0.000) 2.654 11.873 ( 0.000 0.406 -0.000) 0.406 11.926 ( 0.000 -1.143 0.000) 1.143 12.824 ( 0.000 0.081 -0.000) 0.081 12.834 ( 0.000 -0.341 0.000) 0.341 12.897 ( 0.000 0.186 -0.000) 0.186 12.905 ( 0.000 0.232 0.000) 0.232 13.011 ( 0.000 1.055 0.000) 1.055 13.046 ( 0.000 -0.256 0.000) 0.256 13.265 ( 0.000 -0.176 0.000) 0.176 13.265 ( -0.000 -0.312 -0.000) 0.312 13.468 ( 0.000 -2.296 0.000) 2.296 13.476 ( 0.000 -2.081 0.000) 2.081 13.519 ( 0.000 0.157 -0.000) 0.157 13.625 ( 0.000 -0.795 0.000) 0.795 13.723 ( 0.000 -1.525 0.000) 1.525 13.736 ( 0.000 -3.695 -0.000) 3.695 13.914 ( 0.000 1.582 -0.000) 1.582 13.945 ( 0.000 0.385 0.000) 0.385 ======================= Grid point 21 (13/88) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 0.000 21.189 0.000) 21.189 1.904 ( 0.000 -14.180 0.000) 14.180 1.953 ( 0.000 22.403 0.000) 22.403 2.243 ( 0.000 -5.833 0.000) 5.833 2.438 ( 0.000 -1.071 0.000) 1.071 2.439 ( 0.000 -0.631 0.000) 0.631 2.838 ( 0.000 3.126 0.000) 3.126 2.858 ( 0.000 3.028 0.000) 3.028 2.960 ( 0.000 5.576 0.000) 5.576 3.073 ( 0.000 -3.495 0.000) 3.495 3.123 ( 0.000 0.582 0.000) 0.582 3.227 ( 0.000 -8.119 0.000) 8.119 3.264 ( 0.000 -0.430 0.000) 0.430 3.305 ( 0.000 -5.000 0.000) 5.000 3.527 ( 0.000 8.827 0.000) 8.827 3.575 ( 0.000 0.332 0.000) 0.332 3.685 ( 0.000 20.775 0.000) 20.775 3.910 ( 0.000 2.300 0.000) 2.300 3.992 ( 0.000 14.123 0.000) 14.123 4.024 ( 0.000 -2.414 0.000) 2.414 4.140 ( 0.000 -1.013 0.000) 1.013 4.291 ( 0.000 -26.179 0.000) 26.179 4.467 ( 0.000 5.542 0.000) 5.542 4.471 ( 0.000 5.593 0.000) 5.593 4.516 ( 0.000 6.588 0.000) 6.588 4.585 ( 0.000 1.175 0.000) 1.175 5.799 ( 0.000 10.975 0.000) 10.975 6.056 ( 0.000 -13.125 0.000) 13.125 6.184 ( 0.000 9.723 0.000) 9.723 6.337 ( 0.000 -3.726 0.000) 3.726 6.709 ( 0.000 -2.165 0.000) 2.165 6.723 ( 0.000 -4.704 0.000) 4.704 6.880 ( 0.000 11.293 0.000) 11.293 7.091 ( 0.000 -9.569 0.000) 9.569 7.514 ( 0.000 4.320 0.000) 4.320 7.654 ( 0.000 -9.242 0.000) 9.242 7.966 ( 0.000 0.663 0.000) 0.663 7.995 ( 0.000 -2.279 0.000) 2.279 8.462 ( 0.000 0.495 0.000) 0.495 8.481 ( 0.000 -1.381 0.000) 1.381 9.527 ( 0.000 -2.289 0.000) 2.289 9.533 ( 0.000 -2.876 0.000) 2.876 9.793 ( 0.000 -0.614 0.000) 0.614 9.800 ( 0.000 -1.281 0.000) 1.281 10.341 ( 0.000 3.898 0.000) 3.898 10.420 ( 0.000 -3.876 0.000) 3.876 10.515 ( 0.000 6.333 0.000) 6.333 10.607 ( 0.000 -2.100 0.000) 2.100 10.683 ( 0.000 2.179 0.000) 2.179 10.748 ( 0.000 -5.090 0.000) 5.090 10.852 ( 0.000 1.555 0.000) 1.555 10.884 ( 0.000 -1.689 0.000) 1.689 11.174 ( 0.000 4.228 0.000) 4.228 11.259 ( 0.000 -4.201 0.000) 4.201 11.861 ( 0.000 2.557 0.000) 2.557 11.914 ( 0.000 -2.750 0.000) 2.750 12.799 ( 0.000 0.386 0.000) 0.386 12.813 ( 0.000 -1.009 0.000) 1.009 12.926 ( 0.000 0.660 0.000) 0.660 12.939 ( 0.000 -0.623 0.000) 0.623 13.034 ( 0.000 0.272 0.000) 0.272 13.036 ( 0.000 -0.002 0.000) 0.002 13.279 ( 0.000 0.186 0.000) 0.186 13.283 ( 0.000 -0.152 0.000) 0.152 13.426 ( 0.000 0.104 0.000) 0.104 13.448 ( 0.000 -2.160 0.000) 2.160 13.513 ( 0.000 1.789 0.000) 1.789 13.560 ( 0.000 -2.766 0.000) 2.766 13.710 ( 0.000 0.427 0.000) 0.427 13.728 ( 0.000 -1.434 0.000) 1.434 13.929 ( 0.000 0.453 0.000) 0.453 13.930 ( 0.000 0.357 0.000) 0.357 ======================= Grid point 22 (14/88) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 0.462 18.438 2.346) 18.592 1.836 ( -3.916 3.320 -2.947) 5.920 1.942 ( -1.625 8.617 3.798) 9.556 2.308 ( 2.412 -12.763 -2.074) 13.153 2.388 ( -2.098 0.494 3.146) 3.814 2.447 ( -0.997 -4.209 1.659) 4.632 2.795 ( -2.353 5.085 -2.793) 6.261 2.851 ( -2.566 2.687 -1.740) 4.102 2.952 ( -0.104 2.877 -0.752) 2.976 3.073 ( 0.750 -2.195 -0.190) 2.327 3.110 ( -0.240 -1.613 -2.358) 2.867 3.191 ( -2.239 -5.489 0.788) 5.980 3.281 ( 0.047 1.621 5.361) 5.601 3.325 ( 1.452 -3.557 3.918) 5.487 3.545 ( -0.638 1.372 -1.678) 2.259 3.574 ( 0.741 -0.842 -4.370) 4.511 3.793 ( 10.075 27.397 2.161) 29.271 3.803 ( -4.856 6.728 0.299) 8.303 3.897 ( -7.389 0.172 1.345) 7.512 4.094 ( 6.002 8.390 -1.638) 10.445 4.162 ( -1.039 2.800 -2.744) 4.056 4.350 ( 5.178 -17.397 -0.751) 18.167 4.448 ( -1.955 7.960 -1.652) 8.362 4.462 ( -0.815 5.004 -0.349) 5.082 4.586 ( 3.501 1.708 5.076) 6.398 4.680 ( 10.959 -7.811 2.774) 13.741 5.670 ( -11.881 16.328 -1.525) 20.250 5.996 ( -6.270 -14.657 0.444) 15.947 6.193 ( 1.165 8.988 -2.848) 9.500 6.329 ( -1.146 -2.971 1.068) 3.359 6.696 ( -0.750 -1.971 -0.336) 2.135 6.717 ( -0.797 -4.874 0.051) 4.939 6.898 ( 1.393 5.865 -0.754) 6.075 7.051 ( -3.115 -9.185 -0.824) 9.734 7.554 ( 3.652 5.733 0.503) 6.816 7.696 ( 3.794 -8.110 -0.514) 8.968 7.960 ( -0.453 1.646 0.056) 1.708 8.011 ( 1.309 -3.477 0.299) 3.727 8.436 ( -1.074 3.997 -0.375) 4.156 8.521 ( 2.526 -4.396 0.706) 5.119 9.517 ( -1.376 -1.650 1.168) 2.445 9.530 ( -0.263 -3.143 1.376) 3.441 9.788 ( -0.008 0.373 -1.170) 1.228 9.819 ( 1.651 -2.518 -0.789) 3.113 10.341 ( -0.040 3.617 0.198) 3.623 10.414 ( -0.570 -3.550 -0.135) 3.598 10.520 ( 0.648 6.401 -0.521) 6.455 10.622 ( 1.922 -2.782 -2.268) 4.071 10.685 ( -0.001 1.976 0.983) 2.207 10.738 ( -1.018 -3.899 0.257) 4.038 10.852 ( -0.099 0.900 0.457) 1.014 10.875 ( -0.598 -1.256 -1.101) 1.774 11.177 ( 0.036 3.494 0.959) 3.624 11.251 ( -0.850 -3.820 0.215) 3.919 11.866 ( 0.391 2.173 0.525) 2.269 11.912 ( -0.218 -2.404 0.057) 2.414 12.803 ( 0.386 0.460 0.283) 0.664 12.818 ( 0.377 -1.005 0.418) 1.152 12.921 ( -0.320 0.530 -0.762) 0.982 12.931 ( -0.668 -0.400 -0.591) 0.977 13.032 ( -0.306 0.455 0.867) 1.026 13.038 ( 0.042 -0.141 0.352) 0.382 13.274 ( -0.305 0.187 -0.910) 0.978 13.278 ( -0.270 -0.225 -0.908) 0.974 13.428 ( 0.150 -0.191 0.037) 0.246 13.445 ( -0.251 -1.866 -0.099) 1.886 13.519 ( 0.423 1.704 0.631) 1.866 13.567 ( 0.420 -2.809 0.784) 2.946 13.706 ( -0.315 0.297 -0.250) 0.500 13.722 ( -0.555 -1.344 -0.163) 1.463 13.931 ( 0.253 0.641 0.169) 0.709 13.936 ( 0.482 0.191 0.081) 0.524 ======================= Grid point 23 (15/88) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 1.432 11.768 1.708) 11.978 1.774 ( -3.539 -5.487 0.034) 6.529 1.942 ( 1.779 13.622 3.099) 14.083 2.225 ( -6.746 -8.395 -6.416) 12.536 2.381 ( -1.093 -0.996 4.558) 4.792 2.468 ( 0.549 -6.407 4.282) 7.725 2.689 ( -4.879 9.343 -5.044) 11.685 2.851 ( 1.614 -5.718 -1.194) 6.060 2.944 ( 1.844 6.890 -0.721) 7.168 3.099 ( 0.606 4.576 1.253) 4.783 3.132 ( 4.441 -9.193 -3.525) 10.801 3.181 ( -0.753 -2.382 0.507) 2.549 3.248 ( -5.341 3.431 4.521) 7.794 3.356 ( -2.254 -4.717 5.404) 7.519 3.502 ( -1.167 1.181 -1.901) 2.524 3.556 ( -0.270 -2.740 -3.751) 4.653 3.758 ( 1.173 4.335 0.888) 4.578 3.813 ( -0.955 -1.546 1.762) 2.531 4.073 ( 8.286 17.721 1.547) 19.623 4.122 ( 2.696 14.251 -1.677) 14.600 4.138 ( 0.102 3.529 -2.337) 4.234 4.373 ( -0.334 0.037 -5.191) 5.202 4.441 ( 0.290 2.032 3.359) 3.936 4.480 ( 2.938 4.396 0.626) 5.324 4.661 ( 3.383 8.713 3.160) 9.867 4.923 ( 7.959 -11.753 2.160) 14.358 5.430 ( -7.888 16.785 -0.849) 18.565 5.815 ( -12.380 -17.355 -1.561) 21.376 6.203 ( 1.131 7.941 -2.759) 8.483 6.307 ( -1.522 -1.506 1.859) 2.835 6.684 ( -0.323 -2.959 -0.249) 2.987 6.700 ( -0.834 -5.017 0.512) 5.112 6.894 ( -1.352 1.287 -1.048) 2.141 7.011 ( -0.285 -9.195 -1.098) 9.265 7.627 ( 3.041 7.005 0.044) 7.637 7.766 ( 3.136 -6.594 -0.407) 7.313 7.954 ( -0.205 3.129 0.184) 3.141 8.038 ( 1.103 -5.113 0.393) 5.245 8.426 ( -0.028 7.459 -0.049) 7.459 8.570 ( 2.038 -6.816 0.492) 7.131 9.495 ( -1.151 -0.211 1.052) 1.573 9.534 ( -0.080 -4.232 1.534) 4.502 9.782 ( -0.106 1.928 -1.308) 2.333 9.846 ( 1.297 -4.229 -0.680) 4.475 10.341 ( -0.047 3.080 0.198) 3.087 10.400 ( -0.642 -2.792 -0.111) 2.867 10.532 ( 0.748 6.416 -0.606) 6.487 10.651 ( 2.052 -4.340 -3.459) 5.917 10.690 ( -0.151 1.378 1.768) 2.247 10.717 ( -1.169 -1.442 0.503) 1.923 10.851 ( -0.144 0.083 0.169) 0.237 10.859 ( -0.542 -0.619 -0.575) 1.004 11.183 ( 0.116 2.062 0.929) 2.265 11.234 ( -0.910 -2.970 0.209) 3.114 11.877 ( 0.462 1.322 0.589) 1.519 11.907 ( -0.305 -1.625 -0.017) 1.653 12.815 ( 0.617 0.448 0.420) 0.871 12.827 ( 0.257 -0.779 0.461) 0.941 12.910 ( -0.431 0.334 -0.976) 1.118 12.914 ( -0.656 -0.090 -0.482) 0.819 13.030 ( -0.218 0.691 0.701) 1.008 13.040 ( -0.003 -0.298 0.454) 0.543 13.264 ( -0.257 0.082 -0.734) 0.782 13.268 ( -0.318 -0.251 -0.978) 1.059 13.431 ( 0.159 -0.696 0.052) 0.715 13.440 ( -0.192 -1.508 -0.126) 1.525 13.530 ( 0.342 1.664 0.604) 1.803 13.578 ( 0.364 -2.900 0.703) 3.006 13.699 ( -0.188 -0.041 -0.250) 0.316 13.709 ( -0.614 -1.032 -0.135) 1.208 13.937 ( 0.255 0.844 0.137) 0.892 13.945 ( 0.416 0.019 0.085) 0.425 ======================= Grid point 24 (16/88) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.000 3.505 0.000) 3.505 1.698 ( -0.000 -2.992 0.000) 2.992 2.045 ( 0.000 2.915 0.000) 2.915 2.067 ( -0.000 0.724 -0.000) 0.724 2.391 ( 0.000 3.654 -0.000) 3.654 2.474 ( -0.000 -4.900 -0.000) 4.900 2.624 ( 0.000 10.703 0.000) 10.703 2.861 ( 0.000 -11.744 -0.000) 11.744 3.016 ( -0.000 10.159 0.000) 10.159 3.096 ( 0.000 5.539 0.000) 5.539 3.113 ( 0.000 5.388 -0.000) 5.388 3.190 ( -0.000 -4.104 0.000) 4.104 3.240 ( 0.000 -8.731 -0.000) 8.731 3.295 ( 0.000 -10.227 0.000) 10.227 3.495 ( 0.000 3.147 0.000) 3.147 3.550 ( 0.000 -1.445 -0.000) 1.445 3.789 ( 0.000 1.543 0.000) 1.543 3.820 ( 0.000 -1.603 0.000) 1.603 4.065 ( 0.000 11.391 -0.000) 11.391 4.111 ( 0.000 3.902 0.000) 3.902 4.242 ( -0.000 4.578 -0.000) 4.578 4.349 ( 0.000 -2.843 0.000) 2.843 4.479 ( -0.000 9.661 -0.000) 9.661 4.528 ( 0.000 4.383 0.000) 4.383 4.741 ( -0.000 23.017 -0.000) 23.017 4.892 ( 0.000 12.902 0.000) 12.902 5.511 ( 0.000 -13.631 0.000) 13.631 5.563 ( -0.000 -12.304 -0.000) 12.304 6.209 ( -0.000 6.943 0.000) 6.943 6.295 ( 0.000 -0.639 -0.000) 0.639 6.680 ( 0.000 -3.530 0.000) 3.530 6.694 ( 0.000 -5.298 -0.000) 5.298 6.874 ( 0.000 1.732 0.000) 1.732 7.009 ( 0.000 -10.583 -0.000) 10.583 7.657 ( 0.000 7.538 0.000) 7.538 7.797 ( 0.000 -6.293 -0.000) 6.293 7.953 ( 0.000 3.785 0.000) 3.785 8.050 ( 0.000 -5.750 -0.000) 5.750 8.427 ( 0.000 8.810 0.000) 8.810 8.592 ( 0.000 -7.592 0.000) 7.592 9.486 ( 0.000 0.424 -0.000) 0.424 9.537 ( 0.000 -4.853 -0.000) 4.853 9.777 ( 0.000 2.750 0.000) 2.750 9.857 ( 0.000 -4.999 0.000) 4.999 10.341 ( 0.000 2.826 -0.000) 2.826 10.393 ( 0.000 -2.387 0.000) 2.387 10.539 ( 0.000 6.389 -0.000) 6.389 10.664 ( 0.000 -5.980 -0.000) 5.980 10.692 ( -0.000 1.457 0.000) 1.457 10.706 ( 0.000 0.163 0.000) 0.163 10.849 ( 0.000 -0.172 -0.000) 0.172 10.853 ( 0.000 -0.359 -0.000) 0.359 11.186 ( 0.000 1.278 0.000) 1.278 11.224 ( 0.000 -2.433 -0.000) 2.433 11.884 ( 0.000 0.763 -0.000) 0.763 11.903 ( 0.000 -1.097 0.000) 1.097 12.825 ( -0.000 0.083 -0.000) 0.083 12.828 ( 0.000 -0.216 0.000) 0.216 12.902 ( 0.000 0.288 -0.000) 0.288 12.906 ( 0.000 -0.083 0.000) 0.083 13.030 ( 0.000 0.787 0.000) 0.787 13.041 ( 0.000 -0.359 -0.000) 0.359 13.260 ( 0.000 -0.095 0.000) 0.095 13.261 ( -0.000 -0.136 -0.000) 0.136 13.433 ( 0.000 -0.948 0.000) 0.948 13.438 ( 0.000 -1.347 -0.000) 1.347 13.535 ( 0.000 1.652 0.000) 1.652 13.584 ( 0.000 -2.951 0.000) 2.951 13.697 ( 0.000 -0.396 -0.000) 0.396 13.702 ( -0.000 -0.660 0.000) 0.660 13.940 ( 0.000 0.927 0.000) 0.927 13.950 ( 0.000 -0.053 0.000) 0.053 ======================= Grid point 49 (17/88) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 5.773 0.000 28.499) 29.078 0.648 ( 0.908 0.000 34.947) 34.959 1.223 ( 1.311 0.000 60.827) 60.841 2.246 ( -3.070 0.000 20.140) 20.373 2.600 ( 9.439 0.000 8.428) 12.654 2.649 ( -3.007 0.000 -1.149) 3.219 2.755 ( -3.564 0.000 -0.921) 3.682 2.786 ( -3.607 0.000 10.949) 11.528 2.885 ( -4.467 0.000 15.807) 16.426 2.996 ( 2.903 0.000 3.447) 4.507 3.074 ( 7.896 0.000 -1.225) 7.990 3.113 ( -3.700 0.000 7.236) 8.127 3.200 ( -3.415 0.000 -2.769) 4.396 3.340 ( 4.949 0.000 1.666) 5.222 3.488 ( 0.029 0.000 4.539) 4.539 3.495 ( -6.804 0.000 10.345) 12.382 3.709 ( -1.342 0.000 1.694) 2.161 3.749 ( -2.732 0.000 7.935) 8.392 3.802 ( 5.539 0.000 -1.797) 5.823 3.844 ( -2.092 0.000 -0.952) 2.298 3.872 ( -5.429 0.000 -3.558) 6.491 3.945 ( 4.675 0.000 -1.580) 4.934 4.045 ( -3.596 0.000 -8.004) 8.775 4.144 ( -13.041 0.000 6.119) 14.406 4.592 ( 7.172 0.000 10.990) 13.123 5.261 ( -0.863 0.000 2.432) 2.581 5.537 ( -11.084 0.000 -4.410) 11.930 5.775 ( -5.351 0.000 -14.035) 15.021 6.250 ( 0.341 0.000 1.000) 1.057 6.405 ( 3.242 0.000 -2.739) 4.244 6.424 ( 8.876 0.000 -1.875) 9.072 6.872 ( -2.688 0.000 -6.431) 6.970 6.977 ( 2.462 0.000 -4.112) 4.792 7.299 ( 3.043 0.000 -3.164) 4.390 7.435 ( 4.412 0.000 4.042) 5.984 7.924 ( 2.228 0.000 -3.350) 4.023 8.002 ( -3.854 0.000 -3.692) 5.337 8.129 ( 1.984 0.000 0.436) 2.031 8.404 ( -5.448 0.000 -5.671) 7.864 8.520 ( 7.156 0.000 -4.363) 8.381 9.800 ( 5.318 0.000 0.829) 5.382 9.820 ( -5.575 0.000 2.556) 6.133 9.871 ( 0.606 0.000 0.436) 0.746 9.953 ( -3.753 0.000 1.098) 3.910 10.194 ( 1.306 0.000 -2.160) 2.525 10.226 ( 2.190 0.000 -3.018) 3.729 10.514 ( -3.176 0.000 -1.405) 3.473 10.530 ( 0.101 0.000 -2.596) 2.598 10.591 ( 1.436 0.000 2.980) 3.308 10.845 ( -1.056 0.000 -1.248) 1.635 10.896 ( -2.041 0.000 0.527) 2.108 11.002 ( -0.478 0.000 0.275) 0.551 11.150 ( 0.699 0.000 8.692) 8.720 11.414 ( 0.194 0.000 2.201) 2.210 11.768 ( 1.765 0.000 -1.320) 2.204 11.989 ( -0.155 0.000 -1.882) 1.889 12.757 ( 1.082 0.000 -4.287) 4.422 12.777 ( 1.797 0.000 -6.493) 6.737 12.842 ( 0.940 0.000 -5.478) 5.559 12.879 ( 0.730 0.000 -6.459) 6.500 13.056 ( -2.010 0.000 2.269) 3.031 13.093 ( -0.089 0.000 5.687) 5.688 13.270 ( 0.890 0.000 -0.097) 0.896 13.309 ( -0.239 0.000 1.758) 1.775 13.423 ( -0.881 0.000 1.634) 1.857 13.564 ( -1.765 0.000 0.480) 1.829 13.590 ( 0.333 0.000 0.943) 1.000 13.646 ( 0.057 0.000 0.434) 0.437 13.745 ( 0.811 0.000 1.690) 1.874 13.862 ( -0.233 0.000 -0.608) 0.651 13.869 ( 0.333 0.000 -1.208) 1.253 13.897 ( 0.330 0.000 -0.317) 0.457 ======================= Grid point 50 (18/88) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 16.325 0.000 26.376) 31.019 0.967 ( 21.543 0.000 20.314) 29.611 1.827 ( 29.580 0.000 45.695) 54.433 2.288 ( -2.298 0.000 21.231) 21.355 2.460 ( -18.119 0.000 -1.534) 18.184 2.519 ( -13.029 0.000 12.973) 18.386 2.716 ( -1.369 0.000 -3.243) 3.520 2.899 ( -2.864 0.000 11.580) 11.929 2.947 ( 14.218 0.000 12.768) 19.109 3.051 ( 0.413 0.000 5.271) 5.287 3.084 ( -1.968 0.000 11.610) 11.776 3.088 ( -6.791 0.000 1.073) 6.875 3.118 ( -8.365 0.000 4.597) 9.544 3.334 ( -12.869 0.000 8.060) 15.184 3.435 ( 5.206 0.000 -1.870) 5.532 3.482 ( -1.786 0.000 4.581) 4.917 3.659 ( -3.770 0.000 8.021) 8.863 3.724 ( -5.707 0.000 -1.149) 5.821 3.753 ( 1.188 0.000 -2.128) 2.437 3.768 ( 0.637 0.000 -5.771) 5.807 3.937 ( 3.392 0.000 0.048) 3.393 3.962 ( -2.274 0.000 -3.176) 3.906 4.006 ( 0.977 0.000 3.619) 3.749 4.171 ( 10.825 0.000 -4.153) 11.595 4.701 ( -0.558 0.000 12.113) 12.126 5.029 ( -33.494 0.000 -7.063) 34.231 5.302 ( 4.733 0.000 -4.933) 6.836 5.704 ( 4.818 0.000 -9.698) 10.829 6.221 ( -2.989 0.000 -3.108) 4.312 6.416 ( -1.269 0.000 -0.010) 1.269 6.715 ( 14.132 0.000 -4.108) 14.717 6.841 ( 4.549 0.000 1.754) 4.876 6.984 ( 1.271 0.000 -5.767) 5.905 7.333 ( 1.339 0.000 -1.606) 2.091 7.575 ( 5.206 0.000 -2.279) 5.683 7.905 ( -3.576 0.000 -3.706) 5.150 7.953 ( 1.388 0.000 -2.769) 3.097 8.172 ( 2.461 0.000 -1.154) 2.718 8.229 ( -8.277 0.000 -6.283) 10.392 8.653 ( 6.979 0.000 -4.141) 8.115 9.704 ( -6.217 0.000 3.440) 7.105 9.863 ( -1.719 0.000 1.469) 2.261 9.919 ( 5.015 0.000 0.655) 5.057 9.923 ( 0.617 0.000 0.100) 0.625 10.207 ( 1.079 0.000 -3.358) 3.527 10.237 ( 0.012 0.000 -2.700) 2.700 10.487 ( 1.439 0.000 -0.942) 1.720 10.506 ( -1.058 0.000 -2.253) 2.489 10.633 ( 1.307 0.000 2.129) 2.498 10.832 ( 0.442 0.000 -2.304) 2.346 10.874 ( -1.185 0.000 4.155) 4.321 10.978 ( -1.866 0.000 0.312) 1.892 11.192 ( 0.277 0.000 5.622) 5.629 11.415 ( -1.292 0.000 3.097) 3.355 11.807 ( 2.469 0.000 -0.633) 2.549 11.968 ( -0.988 0.000 -2.505) 2.693 12.759 ( 1.111 0.000 -4.128) 4.275 12.790 ( 2.265 0.000 -6.280) 6.676 12.836 ( 0.952 0.000 -5.771) 5.849 12.851 ( -0.692 0.000 -6.429) 6.466 13.022 ( -1.987 0.000 1.575) 2.536 13.119 ( -0.150 0.000 6.248) 6.250 13.283 ( 0.365 0.000 0.527) 0.641 13.307 ( -0.797 0.000 1.756) 1.928 13.429 ( 0.858 0.000 1.223) 1.494 13.541 ( -0.739 0.000 0.608) 0.957 13.603 ( 0.902 0.000 -0.041) 0.903 13.629 ( -1.729 0.000 0.829) 1.917 13.770 ( 0.695 0.000 2.068) 2.181 13.858 ( -0.085 0.000 -0.893) 0.897 13.870 ( 0.205 0.000 -0.947) 0.969 13.906 ( 0.638 0.000 -0.528) 0.828 ======================= Grid point 51 (19/88) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 21.852 0.000 21.711) 30.804 1.453 ( 20.975 0.000 12.709) 24.525 2.098 ( -19.139 0.000 0.308) 19.141 2.144 ( -18.265 0.000 13.535) 22.733 2.306 ( -4.734 0.000 19.976) 20.530 2.634 ( 13.272 0.000 6.311) 14.696 2.749 ( 11.401 0.000 7.710) 13.763 2.849 ( -12.752 0.000 4.903) 13.662 2.892 ( 0.737 0.000 13.764) 13.783 2.896 ( -13.867 0.000 -0.869) 13.894 3.070 ( 0.693 0.000 16.102) 16.117 3.124 ( -6.136 0.000 8.339) 10.354 3.135 ( 1.262 0.000 6.792) 6.909 3.261 ( 3.105 0.000 10.409) 10.863 3.454 ( -4.883 0.000 2.190) 5.352 3.561 ( -5.077 0.000 3.019) 5.907 3.597 ( 7.073 0.000 -1.275) 7.187 3.707 ( 2.349 0.000 -3.284) 4.038 3.726 ( 4.247 0.000 2.638) 5.000 3.817 ( -5.778 0.000 1.541) 5.980 3.879 ( -4.368 0.000 -1.683) 4.681 3.957 ( 5.946 0.000 -3.693) 7.000 4.096 ( 1.212 0.000 1.138) 1.662 4.331 ( 7.982 0.000 2.483) 8.360 4.350 ( -29.696 0.000 -2.895) 29.837 4.676 ( -7.319 0.000 10.433) 12.744 5.426 ( 12.131 0.000 -10.123) 15.800 5.846 ( 10.751 0.000 -4.442) 11.632 6.116 ( -5.724 0.000 -4.427) 7.236 6.364 ( -4.254 0.000 0.977) 4.365 6.800 ( 2.994 0.000 -4.720) 5.590 6.943 ( -0.907 0.000 -4.953) 5.035 7.117 ( 14.226 0.000 -1.693) 14.326 7.326 ( -1.484 0.000 -1.400) 2.040 7.591 ( -2.396 0.000 -0.997) 2.595 7.837 ( -1.161 0.000 -5.118) 5.248 7.970 ( 0.953 0.000 0.315) 1.004 8.073 ( -4.575 0.000 -5.368) 7.053 8.205 ( 1.884 0.000 -3.335) 3.830 8.737 ( 3.726 0.000 -5.063) 6.286 9.617 ( -4.452 0.000 4.378) 6.244 9.844 ( -0.759 0.000 0.928) 1.199 9.944 ( 1.170 0.000 0.450) 1.253 9.988 ( 1.892 0.000 0.284) 1.913 10.213 ( 1.346 0.000 -4.695) 4.884 10.219 ( -0.027 0.000 -3.718) 3.719 10.481 ( -0.806 0.000 -0.840) 1.164 10.548 ( 4.160 0.000 0.353) 4.175 10.647 ( -0.606 0.000 1.859) 1.955 10.843 ( 1.359 0.000 -0.727) 1.541 10.884 ( -0.202 0.000 6.067) 6.070 10.945 ( -1.680 0.000 0.481) 1.748 11.201 ( -1.061 0.000 1.476) 1.818 11.395 ( -2.176 0.000 3.866) 4.437 11.843 ( 1.342 0.000 -1.283) 1.857 11.938 ( -0.556 0.000 -2.635) 2.693 12.767 ( 1.539 0.000 -4.031) 4.315 12.806 ( 1.880 0.000 -6.150) 6.431 12.808 ( -0.731 0.000 -5.793) 5.839 12.831 ( 1.292 0.000 -6.279) 6.411 12.999 ( -1.039 0.000 1.824) 2.100 13.137 ( -0.714 0.000 6.201) 6.242 13.282 ( -0.925 0.000 0.484) 1.044 13.299 ( -0.511 0.000 1.738) 1.812 13.462 ( 2.062 0.000 0.891) 2.246 13.542 ( 0.367 0.000 1.064) 1.126 13.593 ( -2.491 0.000 1.683) 3.006 13.621 ( 0.930 0.000 -0.498) 1.055 13.783 ( -0.154 0.000 1.455) 1.463 13.851 ( -0.137 0.000 -0.775) 0.788 13.868 ( -0.023 0.000 -0.660) 0.661 13.914 ( 0.588 0.000 -1.136) 1.279 ======================= Grid point 52 (20/88) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -22.207 0.000 -0.102) 22.207 1.725 ( -24.515 0.000 12.724) 27.621 1.872 ( 16.191 0.000 7.881) 18.007 1.933 ( 17.163 0.000 18.723) 25.399 2.270 ( -8.005 0.000 18.828) 20.459 2.643 ( -7.442 0.000 0.609) 7.466 2.660 ( -1.565 0.000 -8.215) 8.363 2.816 ( 4.707 0.000 4.688) 6.644 2.830 ( 0.295 0.000 0.265) 0.396 2.990 ( -3.978 0.000 18.291) 18.718 3.013 ( -8.408 0.000 -5.487) 10.040 3.121 ( -30.599 0.000 3.836) 30.838 3.176 ( -1.934 0.000 7.563) 7.807 3.227 ( -6.755 0.000 9.619) 11.754 3.438 ( 9.645 0.000 13.569) 16.648 3.483 ( -1.442 0.000 0.145) 1.450 3.598 ( 4.462 0.000 -0.059) 4.463 3.689 ( 0.763 0.000 3.397) 3.482 3.807 ( -2.579 0.000 1.187) 2.839 3.857 ( 5.123 0.000 5.299) 7.371 3.881 ( 7.157 0.000 3.892) 8.147 4.040 ( -4.813 0.000 -2.959) 5.650 4.104 ( 3.418 0.000 -5.752) 6.691 4.158 ( 15.579 0.000 9.684) 18.344 4.518 ( 7.169 0.000 10.362) 12.600 4.525 ( -11.975 0.000 8.111) 14.463 5.596 ( 5.294 0.000 -8.458) 9.978 5.973 ( 3.940 0.000 -4.479) 5.966 6.066 ( 5.130 0.000 -2.603) 5.752 6.266 ( -6.293 0.000 0.564) 6.318 6.835 ( 2.151 0.000 -3.870) 4.428 6.877 ( -2.313 0.000 -8.525) 8.833 7.275 ( -2.294 0.000 -3.029) 3.800 7.280 ( 0.306 0.000 -2.337) 2.357 7.524 ( -0.829 0.000 -1.350) 1.585 7.822 ( 1.819 0.000 -5.503) 5.796 7.994 ( 0.872 0.000 2.914) 3.041 8.035 ( 2.659 0.000 -3.518) 4.410 8.211 ( 0.396 0.000 -4.873) 4.889 8.751 ( 0.283 0.000 -6.048) 6.055 9.576 ( -1.609 0.000 4.284) 4.576 9.840 ( -0.082 0.000 0.508) 0.514 9.969 ( 0.953 0.000 1.614) 1.875 10.001 ( -0.173 0.000 -0.075) 0.189 10.209 ( 0.484 0.000 -4.180) 4.208 10.218 ( 1.223 0.000 -4.996) 5.144 10.473 ( 0.288 0.000 -0.157) 0.329 10.584 ( -1.319 0.000 -0.383) 1.374 10.670 ( 2.184 0.000 4.194) 4.728 10.866 ( 0.302 0.000 2.213) 2.233 10.919 ( 1.188 0.000 6.498) 6.605 10.920 ( -0.766 0.000 -0.189) 0.789 11.164 ( -2.551 0.000 -1.653) 3.040 11.375 ( -1.371 0.000 3.543) 3.799 11.832 ( -1.272 0.000 -3.286) 3.523 11.941 ( 1.553 0.000 -1.436) 2.115 12.767 ( 0.090 0.000 -4.862) 4.863 12.801 ( 2.451 0.000 -4.416) 5.051 12.803 ( 0.793 0.000 -6.652) 6.699 12.838 ( 1.892 0.000 -6.045) 6.334 12.998 ( -0.125 0.000 2.592) 2.595 13.143 ( -1.324 0.000 5.798) 5.948 13.262 ( -0.970 0.000 -0.125) 0.978 13.300 ( -0.276 0.000 1.779) 1.801 13.511 ( 2.557 0.000 0.451) 2.597 13.549 ( -2.999 0.000 2.549) 3.936 13.558 ( 0.549 0.000 1.622) 1.712 13.631 ( 0.195 0.000 -0.320) 0.375 13.776 ( -0.971 0.000 0.453) 1.071 13.850 ( 0.351 0.000 -0.431) 0.556 13.865 ( 0.006 0.000 -0.595) 0.595 13.916 ( 0.140 0.000 -1.576) 1.582 ======================= Grid point 53 (21/88) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -28.366 0.000 1.071) 28.386 1.229 ( -29.700 0.000 8.527) 30.900 2.037 ( -32.850 0.000 20.797) 38.880 2.235 ( 17.656 0.000 6.376) 18.772 2.300 ( 4.966 0.000 15.846) 16.606 2.431 ( -7.563 0.000 14.980) 16.781 2.613 ( 3.081 0.000 -7.301) 7.925 2.750 ( -6.567 0.000 -10.977) 12.792 2.758 ( -4.429 0.000 1.439) 4.657 2.850 ( 1.926 0.000 -0.441) 1.976 2.979 ( -4.834 0.000 17.251) 17.915 3.045 ( 11.405 0.000 4.355) 12.208 3.186 ( -2.411 0.000 8.294) 8.637 3.249 ( 3.205 0.000 18.404) 18.681 3.424 ( -1.437 0.000 1.571) 2.129 3.452 ( -2.662 0.000 -0.416) 2.695 3.685 ( -3.183 0.000 7.041) 7.727 3.780 ( -0.896 0.000 2.040) 2.228 3.827 ( 0.557 0.000 0.308) 0.636 3.880 ( -5.570 0.000 -5.643) 7.929 3.960 ( 10.964 0.000 9.223) 14.328 4.024 ( 2.331 0.000 2.355) 3.313 4.155 ( 1.219 0.000 -1.133) 1.665 4.301 ( -9.085 0.000 -2.805) 9.508 4.605 ( -3.969 0.000 8.291) 9.192 4.726 ( 30.849 0.000 14.511) 34.091 5.508 ( -8.618 0.000 -1.929) 8.831 6.098 ( 0.524 0.000 -1.426) 1.520 6.133 ( 5.553 0.000 -9.122) 10.679 6.176 ( 1.937 0.000 2.335) 3.034 6.754 ( -5.808 0.000 -9.083) 10.781 6.875 ( 2.583 0.000 -4.713) 5.374 7.124 ( -11.620 0.000 -1.738) 11.750 7.238 ( 0.549 0.000 -4.831) 4.862 7.554 ( 2.003 0.000 -4.132) 4.592 7.850 ( 3.066 0.000 -5.008) 5.871 8.026 ( 0.967 0.000 3.939) 4.056 8.134 ( 8.489 0.000 -2.411) 8.824 8.179 ( -1.434 0.000 -5.323) 5.513 8.699 ( -2.897 0.000 -6.831) 7.420 9.596 ( 2.030 0.000 3.492) 4.039 9.844 ( 0.374 0.000 0.279) 0.466 9.985 ( -1.649 0.000 -0.121) 1.653 9.990 ( 0.109 0.000 2.910) 2.912 10.198 ( 0.352 0.000 -4.140) 4.155 10.215 ( 0.419 0.000 -4.227) 4.248 10.489 ( 1.499 0.000 -0.850) 1.723 10.548 ( -1.571 0.000 0.606) 1.683 10.691 ( -2.507 0.000 3.092) 3.981 10.870 ( -1.005 0.000 3.462) 3.605 10.933 ( 2.372 0.000 0.135) 2.376 10.967 ( 0.603 0.000 4.223) 4.266 11.107 ( -2.349 0.000 0.464) 2.395 11.375 ( 0.158 0.000 2.120) 2.126 11.788 ( -1.402 0.000 -3.712) 3.968 11.969 ( 1.653 0.000 -1.172) 2.027 12.754 ( 0.729 0.000 -4.610) 4.667 12.788 ( 0.745 0.000 -6.880) 6.920 12.839 ( 3.241 0.000 -4.830) 5.816 12.846 ( 1.477 0.000 -5.712) 5.900 13.015 ( 0.555 0.000 3.577) 3.620 13.133 ( -2.076 0.000 4.911) 5.331 13.250 ( -0.092 0.000 -0.485) 0.494 13.302 ( -0.231 0.000 1.636) 1.652 13.495 ( -3.179 0.000 2.218) 3.876 13.568 ( 2.662 0.000 1.023) 2.852 13.573 ( 0.207 0.000 1.861) 1.872 13.623 ( -0.951 0.000 0.161) 0.964 13.755 ( -1.174 0.000 0.091) 1.177 13.859 ( 0.682 0.000 -0.508) 0.850 13.864 ( 0.245 0.000 -0.684) 0.727 13.908 ( -0.251 0.000 -1.550) 1.570 ======================= Grid point 54 (22/88) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -24.671 0.000 12.643) 27.721 0.733 ( -24.424 0.000 19.048) 30.974 1.411 ( -37.544 0.000 42.449) 56.670 2.257 ( -6.053 0.000 16.692) 17.756 2.473 ( 2.877 0.000 -2.288) 3.676 2.627 ( 5.582 0.000 15.287) 16.274 2.643 ( 10.951 0.000 2.012) 11.135 2.728 ( -0.084 0.000 3.384) 3.385 2.862 ( 14.427 0.000 -7.695) 16.351 2.906 ( 2.720 0.000 4.221) 5.022 2.951 ( -4.786 0.000 13.605) 14.422 3.152 ( -3.574 0.000 6.051) 7.028 3.217 ( 5.115 0.000 7.009) 8.677 3.337 ( -6.915 0.000 -1.347) 7.045 3.446 ( 1.673 0.000 4.060) 4.392 3.492 ( 7.934 0.000 12.236) 14.583 3.646 ( -1.354 0.000 6.594) 6.732 3.771 ( -4.317 0.000 0.588) 4.357 3.777 ( -0.664 0.000 -3.639) 3.699 3.795 ( 0.403 0.000 2.448) 2.481 4.012 ( -8.943 0.000 3.463) 9.590 4.027 ( -2.998 0.000 -0.942) 3.142 4.134 ( -1.641 0.000 -5.801) 6.029 4.346 ( 12.688 0.000 5.258) 13.734 4.428 ( -16.240 0.000 6.549) 17.510 5.336 ( 25.452 0.000 6.875) 26.364 5.341 ( -7.942 0.000 2.123) 8.221 5.954 ( -7.195 0.000 -9.521) 11.934 6.214 ( 1.913 0.000 3.701) 4.166 6.310 ( 8.510 0.000 -5.491) 10.128 6.542 ( -12.089 0.000 -8.842) 14.977 6.912 ( 3.346 0.000 -2.241) 4.028 6.942 ( -4.605 0.000 -3.318) 5.676 7.255 ( 2.976 0.000 -4.762) 5.615 7.508 ( -5.244 0.000 -5.332) 7.478 7.889 ( 3.010 0.000 -4.278) 5.230 8.055 ( -0.085 0.000 2.167) 2.169 8.122 ( -1.638 0.000 -3.905) 4.234 8.310 ( 10.260 0.000 -2.417) 10.541 8.589 ( -5.319 0.000 -7.245) 8.988 9.680 ( 5.194 0.000 2.438) 5.737 9.856 ( 0.741 0.000 0.100) 0.748 9.926 ( -4.786 0.000 0.657) 4.831 9.994 ( -1.183 0.000 3.100) 3.318 10.199 ( -0.288 0.000 -3.446) 3.458 10.199 ( 1.739 0.000 -3.899) 4.270 10.517 ( 1.808 0.000 -1.779) 2.537 10.542 ( 0.383 0.000 1.060) 1.127 10.619 ( -5.032 0.000 1.440) 5.234 10.862 ( -0.978 0.000 2.408) 2.599 10.949 ( -2.435 0.000 -2.297) 3.348 10.985 ( 2.060 0.000 0.692) 2.174 11.107 ( -0.043 0.000 8.167) 8.167 11.394 ( 0.882 0.000 1.580) 1.809 11.759 ( -0.021 0.000 -2.767) 2.768 11.988 ( 0.889 0.000 -1.391) 1.651 12.753 ( 1.137 0.000 -4.415) 4.559 12.777 ( 1.154 0.000 -6.739) 6.837 12.846 ( 1.067 0.000 -5.517) 5.619 12.873 ( 2.498 0.000 -5.759) 6.277 13.046 ( 0.750 0.000 4.411) 4.475 13.106 ( -2.545 0.000 3.858) 4.621 13.254 ( 0.720 0.000 -0.472) 0.861 13.305 ( -0.149 0.000 1.588) 1.595 13.448 ( -2.504 0.000 2.075) 3.252 13.581 ( 0.036 0.000 1.468) 1.469 13.598 ( -1.823 0.000 0.654) 1.937 13.619 ( 2.026 0.000 1.125) 2.318 13.738 ( -0.575 0.000 0.541) 0.789 13.867 ( 0.335 0.000 -0.918) 0.978 13.867 ( 0.332 0.000 -0.907) 0.966 13.898 ( -0.120 0.000 -0.929) 0.937 ======================= Grid point 55 (23/88) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -3.830 26.356 21.550) 34.259 1.002 ( 3.132 23.828 24.376) 34.231 1.561 ( 3.030 33.846 41.055) 53.294 2.300 ( -3.913 3.342 20.498) 21.134 2.623 ( 5.829 1.941 5.730) 8.401 2.663 ( -3.677 1.031 7.261) 8.204 2.783 ( -3.076 2.441 3.075) 4.987 2.791 ( -3.503 -0.826 6.885) 7.769 2.869 ( -0.687 -1.487 15.592) 15.678 3.054 ( 5.502 0.482 -0.935) 5.601 3.117 ( 1.071 8.131 2.903) 8.700 3.143 ( 0.540 4.441 -1.152) 4.620 3.234 ( -1.919 2.882 2.761) 4.428 3.380 ( 1.081 2.663 4.802) 5.596 3.455 ( 0.070 0.305 5.782) 5.790 3.515 ( -1.733 2.528 12.277) 12.653 3.678 ( -1.809 -3.718 0.921) 4.236 3.756 ( -7.641 -3.273 -0.514) 8.328 3.801 ( 1.891 1.943 -0.408) 2.742 3.843 ( -2.832 1.185 -0.060) 3.071 3.963 ( -2.484 10.527 -0.475) 10.826 4.006 ( 3.080 4.708 -4.368) 7.123 4.080 ( 0.725 4.812 -5.866) 7.621 4.211 ( -12.204 5.940 4.458) 14.286 4.594 ( 7.227 1.040 11.663) 13.760 5.139 ( 0.226 -11.282 4.163) 12.027 5.567 ( -9.324 2.163 -4.782) 10.700 5.804 ( -4.584 2.992 -13.123) 14.219 6.261 ( 0.521 0.434 -0.773) 1.028 6.377 ( 4.087 -1.967 -2.855) 5.359 6.494 ( 6.434 5.527 -2.879) 8.957 6.820 ( -2.548 -3.753 -2.817) 5.339 6.915 ( 2.847 -4.514 -4.099) 6.729 7.381 ( 3.180 2.720 -8.155) 9.166 7.397 ( 1.962 -2.910 4.024) 5.339 7.914 ( 2.294 -1.906 -3.968) 4.964 7.969 ( -3.749 -2.653 -2.654) 5.305 8.102 ( 1.776 -2.519 -0.029) 3.082 8.402 ( -5.186 -0.231 -5.764) 7.757 8.502 ( 7.127 -1.563 -4.412) 8.527 9.753 ( 2.700 -5.015 1.782) 5.968 9.762 ( -2.067 -4.530 1.532) 5.210 9.871 ( -0.484 -0.769 0.939) 1.307 9.909 ( -2.671 -3.451 1.894) 4.757 10.211 ( 1.103 1.326 -2.416) 2.969 10.257 ( 1.749 3.442 -2.932) 4.848 10.500 ( -0.104 -1.700 -2.223) 2.800 10.546 ( -2.563 1.923 -2.011) 3.783 10.614 ( 1.195 2.043 2.613) 3.526 10.847 ( -0.724 0.155 0.216) 0.771 10.896 ( -2.330 -0.093 -0.734) 2.445 10.976 ( -0.102 -2.543 1.040) 2.749 11.152 ( 0.517 0.347 8.211) 8.235 11.396 ( 0.052 -1.761 2.041) 2.696 11.777 ( 1.691 0.911 -1.338) 2.341 11.980 ( -0.109 -1.069 -2.100) 2.359 12.754 ( 1.080 -0.257 -4.388) 4.527 12.777 ( 1.839 -0.096 -6.240) 6.506 12.839 ( 0.917 -0.184 -5.562) 5.640 12.876 ( 0.782 -0.409 -6.769) 6.827 13.065 ( -1.835 0.855 2.574) 3.275 13.092 ( -0.066 -0.046 5.284) 5.285 13.273 ( 0.470 0.265 0.088) 0.547 13.307 ( -0.499 -0.207 1.624) 1.712 13.436 ( -0.335 1.139 1.886) 2.229 13.538 ( -1.634 -2.285 0.406) 2.839 13.568 ( 0.165 -2.098 0.874) 2.279 13.634 ( 0.280 -0.971 0.273) 1.047 13.744 ( 0.447 -0.327 1.719) 1.806 13.824 ( -0.266 -2.626 -0.318) 2.658 13.885 ( 0.484 0.725 -1.306) 1.570 13.901 ( 0.270 0.352 -0.389) 0.590 ======================= Grid point 56 (24/88) ======================= q-point: ( 0.17 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 7.505 16.318 23.088) 29.252 1.294 ( 15.025 18.379 23.978) 33.741 2.058 ( 23.887 21.705 30.134) 44.156 2.324 ( -3.339 2.102 20.596) 20.970 2.520 ( -13.303 3.235 7.669) 15.692 2.549 ( -14.301 5.352 9.159) 17.806 2.717 ( 0.663 -0.496 -1.417) 1.641 2.879 ( 2.149 -0.364 13.707) 13.879 2.938 ( 2.721 -1.628 12.130) 12.537 3.061 ( -5.453 0.978 3.326) 6.461 3.107 ( -1.137 3.256 2.956) 4.542 3.217 ( 0.395 10.408 2.299) 10.666 3.236 ( -0.529 6.183 3.541) 7.144 3.369 ( -6.198 2.616 7.473) 10.055 3.426 ( -5.547 3.227 1.939) 6.704 3.488 ( -0.031 -0.147 4.475) 4.478 3.626 ( -2.166 -2.620 11.183) 11.688 3.690 ( 0.444 -5.000 -2.141) 5.458 3.750 ( -2.992 3.854 -1.903) 5.237 3.790 ( -2.396 2.863 -4.533) 5.873 3.901 ( -2.129 0.545 -2.526) 3.348 4.015 ( 3.343 3.542 1.872) 5.218 4.090 ( -1.123 6.875 -0.940) 7.029 4.246 ( 9.498 6.460 -3.630) 12.046 4.711 ( -0.153 1.078 11.597) 11.648 5.068 ( -27.122 3.192 -5.476) 27.853 5.284 ( 4.829 -1.770 -2.063) 5.542 5.721 ( 3.111 2.441 -11.664) 12.316 6.220 ( -3.883 -0.597 -3.834) 5.490 6.398 ( -0.966 -1.776 -0.540) 2.092 6.726 ( 10.018 0.700 -5.017) 11.225 6.818 ( 7.242 -1.693 2.585) 7.874 6.936 ( 1.648 -4.628 -5.899) 7.676 7.359 ( -1.611 -0.023 -4.891) 5.150 7.504 ( 4.864 -4.934 1.861) 7.174 7.879 ( -2.884 -3.016 -4.826) 6.380 7.939 ( 1.025 -0.785 -1.519) 1.994 8.140 ( 2.047 -2.684 -1.935) 3.891 8.251 ( -6.249 1.716 -5.615) 8.575 8.631 ( 6.834 -2.214 -4.281) 8.363 9.682 ( -5.365 -2.196 3.361) 6.701 9.803 ( 1.406 -5.841 2.228) 6.408 9.854 ( -2.112 -3.205 0.043) 3.838 9.933 ( 3.765 -1.571 0.657) 4.132 10.226 ( 1.443 1.466 -2.651) 3.355 10.264 ( 0.083 3.051 -3.412) 4.578 10.489 ( -0.265 -1.345 -1.920) 2.359 10.515 ( 0.819 2.064 -1.973) 2.970 10.650 ( 1.130 1.542 2.016) 2.778 10.839 ( 0.093 0.663 -2.084) 2.189 10.864 ( -1.268 -1.070 3.780) 4.129 10.963 ( -1.471 -1.429 1.081) 2.319 11.189 ( 0.056 -0.187 5.571) 5.575 11.395 ( -1.316 -1.968 2.989) 3.813 11.813 ( 2.285 0.600 -0.741) 2.476 11.959 ( -0.949 -0.932 -2.524) 2.853 12.757 ( 1.224 -0.194 -4.258) 4.435 12.791 ( 2.259 0.010 -6.057) 6.465 12.831 ( 0.592 -0.352 -5.608) 5.650 12.850 ( -0.249 -0.127 -6.740) 6.745 13.035 ( -1.920 1.227 1.825) 2.919 13.116 ( -0.205 -0.254 5.869) 5.878 13.280 ( 0.067 -0.351 0.605) 0.703 13.302 ( -0.673 -0.391 1.541) 1.726 13.449 ( 0.779 1.713 1.765) 2.580 13.515 ( -0.718 -2.284 0.324) 2.416 13.575 ( 0.164 -2.424 0.351) 2.455 13.630 ( -0.582 -0.224 0.194) 0.653 13.764 ( 0.520 -0.809 2.137) 2.343 13.817 ( -0.297 -2.970 -0.633) 3.051 13.886 ( 0.120 0.932 -0.926) 1.319 13.909 ( 0.722 0.301 -0.669) 1.029 ======================= Grid point 57 (25/88) ======================= q-point: ( 0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 18.235 4.609 18.786) 26.583 1.697 ( 16.023 13.872 18.704) 28.267 2.161 ( -18.021 1.611 13.560) 22.610 2.204 ( -16.658 9.243 -0.089) 19.051 2.356 ( -5.856 3.423 21.505) 22.550 2.590 ( 1.948 -2.237 2.593) 3.940 2.806 ( 4.187 1.163 9.333) 10.295 2.853 ( -10.846 1.320 3.040) 11.341 2.956 ( -0.991 4.661 14.543) 15.304 3.024 ( -1.011 9.863 2.538) 10.235 3.092 ( 2.744 1.487 8.187) 8.762 3.197 ( -1.041 6.259 6.421) 9.027 3.220 ( 2.760 11.096 6.903) 13.357 3.309 ( -0.610 3.837 7.733) 8.654 3.419 ( -2.389 -0.407 4.139) 4.796 3.556 ( -1.204 -1.152 5.573) 5.817 3.620 ( -0.171 1.870 -0.348) 1.910 3.668 ( 1.345 -1.172 -1.860) 2.577 3.757 ( 4.301 0.827 1.715) 4.704 3.829 ( 2.637 -2.199 -1.890) 3.919 3.839 ( -1.396 5.143 2.435) 5.859 4.052 ( 2.631 6.773 -4.593) 8.596 4.139 ( 2.082 3.414 3.177) 5.107 4.337 ( -8.953 2.786 -0.394) 9.384 4.462 ( -17.479 9.120 -1.642) 19.784 4.686 ( -7.188 1.283 10.112) 12.472 5.460 ( 12.790 2.677 -7.806) 15.221 5.834 ( 10.883 -1.089 -5.555) 12.267 6.092 ( -7.113 -2.352 -4.622) 8.803 6.351 ( -3.770 -1.167 0.444) 3.972 6.776 ( 2.560 -2.370 -4.825) 5.954 6.905 ( -1.015 -3.957 -5.468) 6.825 7.076 ( 10.493 -4.251 -1.006) 11.366 7.316 ( 0.429 -1.647 -2.108) 2.709 7.533 ( -2.723 -4.572 -0.202) 5.325 7.827 ( -0.267 -1.011 -5.483) 5.582 7.957 ( 1.249 -0.884 1.041) 1.850 8.110 ( -2.583 3.184 -5.553) 6.902 8.188 ( 1.029 -1.489 -3.021) 3.522 8.714 ( 3.781 -2.379 -5.109) 6.786 9.605 ( -4.114 -1.218 4.193) 5.999 9.812 ( -1.482 -3.080 0.001) 3.418 9.845 ( 1.326 -6.718 2.279) 7.217 9.995 ( 2.263 -1.551 -0.089) 2.745 10.231 ( -0.119 1.174 -3.284) 3.489 10.254 ( 1.466 3.879 -4.810) 6.350 10.469 ( -0.773 -1.107 -0.732) 1.536 10.562 ( 3.703 1.168 -0.762) 3.957 10.665 ( -0.306 1.615 1.828) 2.458 10.842 ( 1.127 -0.298 -0.668) 1.344 10.870 ( -0.603 -1.062 5.401) 5.537 10.940 ( -1.334 -0.524 1.524) 2.092 11.195 ( -1.069 -0.393 1.715) 2.059 11.375 ( -2.109 -1.960 3.791) 4.761 11.846 ( 1.224 0.242 -1.370) 1.853 11.930 ( -0.511 -0.755 -2.585) 2.741 12.767 ( 1.650 -0.067 -4.185) 4.499 12.804 ( -0.426 -0.446 -5.602) 5.636 12.808 ( 1.746 0.238 -6.094) 6.344 12.831 ( 1.166 -0.014 -6.399) 6.505 13.013 ( -1.080 1.338 1.969) 2.614 13.130 ( -0.832 -0.556 5.765) 5.851 13.278 ( -0.556 -0.326 0.680) 0.937 13.297 ( -0.495 -0.240 1.811) 1.892 13.475 ( 1.260 0.957 0.932) 1.836 13.517 ( 0.522 -2.179 1.066) 2.481 13.568 ( -1.256 -2.108 0.933) 2.625 13.625 ( 0.100 0.058 -0.189) 0.222 13.774 ( -0.433 -0.957 1.701) 1.999 13.811 ( 0.048 -3.396 -0.583) 3.446 13.883 ( -0.138 1.143 -0.643) 1.318 13.918 ( 0.643 0.305 -1.266) 1.452 ======================= Grid point 58 (26/88) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -16.771 4.212 -0.200) 17.293 1.771 ( -13.880 3.261 18.138) 23.072 1.905 ( 1.425 4.941 12.163) 13.205 2.065 ( 11.246 9.218 12.941) 19.466 2.336 ( -5.192 6.212 18.967) 20.623 2.601 ( -1.146 -1.815 -0.510) 2.206 2.692 ( -2.095 3.017 1.070) 3.826 2.863 ( 2.004 1.873 6.259) 6.834 2.913 ( -5.376 -3.586 13.829) 15.265 2.975 ( -2.468 7.600 -2.684) 8.429 3.102 ( -5.144 9.313 -2.654) 10.965 3.224 ( -13.351 4.834 2.217) 14.371 3.277 ( -4.784 5.213 9.921) 12.186 3.290 ( -2.825 10.519 5.795) 12.337 3.482 ( -8.508 4.426 7.016) 11.883 3.509 ( -4.409 5.435 -1.416) 7.140 3.594 ( 12.363 2.548 4.789) 13.501 3.697 ( -0.697 0.112 1.735) 1.873 3.737 ( 1.639 -5.717 1.163) 6.060 3.832 ( -2.349 1.238 1.825) 3.222 3.983 ( 0.876 4.756 4.420) 6.551 4.074 ( 4.248 4.334 1.986) 6.385 4.134 ( 5.908 3.801 -4.650) 8.425 4.199 ( 12.742 4.635 9.282) 16.431 4.520 ( -6.150 2.092 5.964) 8.819 4.565 ( 0.580 2.281 9.889) 10.165 5.618 ( 2.704 1.769 -8.431) 9.029 5.974 ( 1.216 -1.731 -4.247) 4.744 6.023 ( 9.033 -2.691 -2.505) 9.753 6.261 ( -5.701 -0.373 -0.061) 5.713 6.804 ( 1.937 -3.066 -4.194) 5.544 6.841 ( -1.978 -3.669 -8.523) 9.487 7.146 ( -0.057 -8.211 -1.268) 8.308 7.370 ( -1.623 4.630 -3.349) 5.940 7.449 ( 0.112 -7.182 -0.389) 7.193 7.815 ( 1.444 -0.717 -5.788) 6.009 7.988 ( 0.405 -0.664 2.737) 2.846 8.084 ( 2.589 4.747 -3.596) 6.494 8.188 ( 0.325 -2.273 -4.554) 5.100 8.730 ( 0.329 -2.288 -6.041) 6.468 9.567 ( -1.540 -0.937 4.095) 4.475 9.785 ( -0.997 -5.137 -0.661) 5.275 9.885 ( 1.358 -5.236 3.560) 6.476 10.016 ( 0.049 -1.190 -0.470) 1.280 10.214 ( 0.298 1.175 -4.239) 4.409 10.263 ( 1.262 3.854 -4.747) 6.243 10.461 ( 0.190 -1.107 -0.032) 1.124 10.600 ( -0.267 1.360 -0.683) 1.545 10.686 ( 1.780 1.371 3.575) 4.223 10.866 ( 0.597 -0.081 1.451) 1.571 10.876 ( -0.614 -2.737 2.943) 4.065 10.937 ( 0.118 0.237 4.176) 4.185 11.162 ( -2.386 -0.089 -1.099) 2.628 11.356 ( -1.262 -1.830 3.500) 4.146 11.834 ( -1.150 0.260 -3.228) 3.437 11.933 ( 1.461 -0.809 -1.491) 2.239 12.767 ( 0.061 0.049 -4.979) 4.980 12.790 ( 1.541 -0.594 -5.194) 5.450 12.812 ( 1.724 0.469 -5.905) 6.169 12.836 ( 1.863 -0.118 -5.991) 6.275 13.011 ( -0.224 1.248 2.641) 2.930 13.132 ( -1.361 -0.899 5.144) 5.397 13.268 ( -0.616 0.514 0.630) 1.020 13.299 ( -0.208 -0.158 1.883) 1.901 13.506 ( 1.695 -0.787 0.443) 1.921 13.532 ( -1.119 -1.648 1.654) 2.589 13.542 ( -0.619 -1.252 1.750) 2.239 13.627 ( 0.068 -0.310 -0.349) 0.472 13.764 ( -0.940 -1.188 0.732) 1.682 13.814 ( 0.395 -3.181 -0.066) 3.206 13.877 ( -0.074 1.211 -0.671) 1.387 13.920 ( 0.184 0.328 -1.653) 1.695 ======================= Grid point 59 (27/88) ======================= q-point: (-0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -25.373 10.706 2.733) 27.675 1.395 ( -24.799 10.975 16.748) 31.874 2.139 ( -6.022 3.844 14.704) 16.348 2.291 ( 5.358 5.230 14.284) 16.127 2.389 ( 8.763 9.847 10.568) 16.895 2.515 ( -9.780 7.325 7.770) 14.480 2.648 ( -7.449 5.714 0.278) 9.393 2.796 ( -0.755 5.009 -6.528) 8.263 2.826 ( -6.974 4.946 -3.069) 9.084 2.912 ( -4.851 -1.971 17.515) 18.281 3.019 ( 3.076 10.358 -0.668) 10.825 3.127 ( 6.984 7.436 4.366) 11.096 3.289 ( 1.609 4.066 16.081) 16.665 3.294 ( -2.307 9.345 6.200) 11.450 3.387 ( -1.171 -2.148 0.859) 2.593 3.449 ( -4.124 -0.496 0.626) 4.200 3.641 ( -3.156 -3.255 7.300) 8.594 3.729 ( -0.362 -4.652 -2.101) 5.118 3.811 ( -0.443 1.422 2.666) 3.054 3.901 ( 7.171 0.981 4.502) 8.523 4.017 ( -1.155 1.862 2.475) 3.305 4.069 ( 1.452 6.436 4.454) 7.961 4.185 ( 1.667 4.096 -2.569) 5.114 4.329 ( -8.181 3.187 -3.164) 9.333 4.617 ( -1.103 0.877 7.909) 8.033 4.779 ( 28.148 5.255 12.476) 31.234 5.467 ( -11.442 -4.364 -2.787) 12.559 6.084 ( 2.455 -1.710 -3.926) 4.936 6.143 ( 6.183 1.105 -8.316) 10.422 6.172 ( 1.078 -0.253 3.693) 3.856 6.733 ( -4.523 -2.079 -8.698) 10.022 6.840 ( 2.673 -3.389 -5.224) 6.776 7.088 ( -8.003 -3.699 -1.170) 8.894 7.268 ( 0.137 1.530 -4.590) 4.840 7.488 ( 0.246 -4.896 -2.344) 5.434 7.837 ( 3.183 -1.268 -5.388) 6.385 8.001 ( 0.124 -1.868 3.503) 3.972 8.148 ( 0.743 -1.223 -4.658) 4.872 8.180 ( 5.010 2.240 -2.722) 6.126 8.678 ( -2.877 -2.203 -6.798) 7.703 9.585 ( 1.862 -1.177 3.363) 4.020 9.771 ( -0.313 -6.335 -0.278) 6.349 9.922 ( 0.674 -4.340 3.960) 5.913 9.994 ( -2.232 -1.487 -0.272) 2.695 10.206 ( 0.655 1.068 -4.121) 4.307 10.259 ( 0.337 4.063 -4.217) 5.865 10.475 ( 1.333 -1.291 -0.766) 2.008 10.579 ( -1.033 2.660 0.404) 2.882 10.704 ( -2.372 1.061 2.735) 3.773 10.871 ( -0.943 0.115 3.328) 3.461 10.895 ( 2.276 -3.508 0.502) 4.212 10.967 ( 0.300 -0.339 3.808) 3.835 11.111 ( -2.181 0.568 0.946) 2.444 11.359 ( 0.264 -1.639 2.179) 2.739 11.794 ( -1.222 0.622 -3.605) 3.857 11.958 ( 1.615 -1.031 -1.273) 2.300 12.753 ( 0.671 -0.043 -4.689) 4.737 12.785 ( 0.811 -0.346 -6.524) 6.584 12.837 ( 2.579 -0.124 -5.530) 6.103 12.847 ( 1.981 0.045 -5.462) 5.810 13.026 ( 0.388 0.997 3.547) 3.705 13.122 ( -1.733 -0.861 4.377) 4.786 13.263 ( -0.194 1.072 0.389) 1.157 13.303 ( -0.148 0.053 1.722) 1.729 13.490 ( -2.798 -0.498 1.870) 3.402 13.541 ( 1.180 -2.479 1.530) 3.143 13.558 ( 0.732 -1.468 1.050) 1.948 13.621 ( -0.451 -0.279 -0.283) 0.601 13.749 ( -0.864 -0.755 0.615) 1.302 13.822 ( 0.432 -2.983 -0.107) 3.016 13.876 ( 0.276 0.961 -0.822) 1.294 13.913 ( -0.208 0.386 -1.618) 1.676 ======================= Grid point 60 (28/88) ======================= q-point: (-0.17 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -10.530 23.936 16.773) 31.067 1.056 ( -16.923 19.707 20.225) 32.921 1.746 ( -30.026 30.883 24.645) 49.626 2.314 ( -6.024 3.091 18.495) 19.696 2.517 ( 3.235 4.461 1.779) 5.790 2.639 ( 4.458 0.741 16.137) 16.757 2.691 ( 9.201 4.480 1.994) 10.426 2.715 ( 1.960 -0.378 -1.113) 2.285 2.882 ( -5.163 -3.202 15.163) 16.335 2.927 ( 8.309 4.620 -2.365) 9.797 3.059 ( 2.785 12.519 -1.720) 12.940 3.230 ( -2.839 5.183 4.199) 7.249 3.281 ( -3.816 -0.662 -1.034) 4.008 3.290 ( 0.918 2.927 7.412) 8.022 3.426 ( 0.344 0.411 4.720) 4.751 3.491 ( 3.084 -0.697 12.011) 12.421 3.661 ( 5.452 2.186 7.302) 9.371 3.717 ( -0.222 -5.651 -2.522) 6.192 3.814 ( -0.828 2.200 2.244) 3.250 3.881 ( -3.681 7.674 1.777) 8.695 3.971 ( -4.360 0.085 1.689) 4.677 4.092 ( -3.841 4.269 -1.803) 6.019 4.170 ( -3.534 4.656 -4.790) 7.557 4.356 ( 10.781 2.019 5.176) 12.128 4.478 ( -13.576 3.984 5.778) 15.283 5.196 ( -3.503 -10.370 2.811) 11.301 5.404 ( 17.799 2.787 4.809) 18.646 5.961 ( -6.486 0.858 -9.144) 11.243 6.233 ( 2.242 1.465 2.666) 3.779 6.296 ( 8.051 -1.810 -6.264) 10.360 6.570 ( -8.485 2.656 -8.168) 12.073 6.872 ( 2.281 -3.437 -2.296) 4.721 6.911 ( -6.246 -2.606 -3.437) 7.590 7.320 ( 5.566 3.910 -6.641) 9.507 7.432 ( -4.237 -6.240 -1.086) 7.620 7.878 ( 3.175 -1.355 -4.690) 5.824 8.018 ( -0.405 -3.319 2.174) 3.988 8.102 ( -1.534 -1.976 -3.686) 4.455 8.320 ( 8.872 0.976 -2.447) 9.255 8.570 ( -5.140 -1.937 -7.232) 9.081 9.661 ( 4.527 -2.115 2.317) 5.508 9.770 ( 0.124 -6.653 0.553) 6.677 9.930 ( -4.162 -1.186 0.313) 4.339 9.937 ( -1.053 -4.317 3.526) 5.673 10.205 ( 0.874 1.051 -3.351) 3.619 10.248 ( 0.480 4.187 -3.636) 5.566 10.497 ( 1.284 -1.692 -1.869) 2.829 10.575 ( 0.256 2.894 0.793) 3.012 10.636 ( -4.506 1.366 1.123) 4.840 10.861 ( -1.102 -0.142 2.029) 2.314 10.942 ( -0.194 -1.450 0.334) 1.500 10.957 ( 0.203 -1.911 -0.667) 2.035 11.111 ( -0.029 0.615 7.714) 7.739 11.379 ( 0.839 -1.561 1.575) 2.371 11.768 ( 0.049 0.923 -2.700) 2.854 11.978 ( 0.999 -1.114 -1.552) 2.156 12.752 ( 1.084 -0.177 -4.463) 4.596 12.775 ( 1.163 -0.210 -6.517) 6.624 12.843 ( 1.156 -0.218 -5.648) 5.769 12.872 ( 2.410 -0.234 -6.048) 6.514 13.053 ( 0.605 0.647 4.372) 4.461 13.103 ( -2.074 -0.244 3.691) 4.241 13.265 ( 0.302 0.900 -0.021) 0.950 13.307 ( -0.221 0.124 1.667) 1.686 13.450 ( -1.995 0.188 1.868) 2.740 13.557 ( -0.254 -2.639 2.147) 3.412 13.567 ( -0.433 -2.068 0.181) 2.120 13.620 ( 0.695 -0.411 0.052) 0.809 13.739 ( -0.469 -0.177 1.017) 1.133 13.828 ( 0.120 -2.778 -0.258) 2.793 13.880 ( 0.533 0.620 -1.092) 1.365 13.903 ( -0.153 0.436 -1.047) 1.144 ======================= Grid point 61 (29/88) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -0.394 19.358 24.792) 31.457 1.510 ( -3.901 28.466 11.515) 30.954 2.221 ( 2.494 22.325 17.404) 28.417 2.301 ( -3.131 -4.140 19.382) 20.065 2.669 ( -5.115 0.007 16.311) 17.095 2.684 ( -2.283 4.120 -0.091) 4.711 2.724 ( -0.736 -4.041 16.670) 17.168 2.842 ( 6.097 4.392 4.713) 8.870 2.899 ( -3.797 2.736 3.402) 5.786 3.088 ( 1.325 3.948 1.298) 4.362 3.154 ( -2.567 0.608 0.499) 2.684 3.215 ( -0.957 1.686 2.094) 2.854 3.345 ( 3.815 2.119 4.293) 6.122 3.392 ( 0.411 -1.219 5.598) 5.744 3.539 ( 1.201 2.552 7.696) 8.196 3.564 ( -3.183 -3.824 -0.042) 4.975 3.637 ( -4.868 2.344 8.448) 10.028 3.719 ( -0.233 11.874 4.869) 12.836 3.854 ( -4.113 3.108 -0.300) 5.164 3.953 ( 4.283 4.924 -5.696) 8.662 4.079 ( -6.577 4.852 -0.967) 8.230 4.201 ( -5.242 11.043 -4.245) 12.940 4.263 ( 6.233 12.648 -1.537) 14.184 4.366 ( -8.396 9.501 1.276) 12.743 4.634 ( 6.052 2.248 10.338) 12.189 4.842 ( 2.886 -18.311 7.552) 20.016 5.618 ( -5.127 3.802 -4.427) 7.768 5.900 ( -2.256 6.962 -11.259) 13.428 6.223 ( 0.400 -5.515 -3.189) 6.383 6.343 ( 2.395 -0.735 -1.509) 2.924 6.634 ( 5.113 7.550 -4.004) 9.959 6.751 ( -2.350 -2.615 -2.876) 4.542 6.804 ( 1.567 -6.170 -3.533) 7.281 7.281 ( -0.730 -7.336 2.360) 7.741 7.423 ( 3.238 1.270 -5.217) 6.270 7.805 ( -0.319 -8.474 -3.885) 9.328 7.942 ( -0.451 -0.349 -1.901) 1.984 8.040 ( 1.199 -3.377 -0.833) 3.679 8.395 ( -3.809 -0.270 -6.102) 7.198 8.464 ( 6.195 -2.127 -4.776) 8.106 9.639 ( 1.022 -5.560 2.519) 6.189 9.656 ( -0.057 -5.629 2.531) 6.172 9.836 ( -1.141 -2.325 1.230) 2.867 9.849 ( -1.506 -2.400 1.309) 3.122 10.249 ( 1.110 2.672 -2.347) 3.726 10.352 ( 0.945 5.660 -3.290) 6.615 10.457 ( 0.335 -2.616 -2.456) 3.604 10.579 ( -2.189 0.888 -2.770) 3.640 10.661 ( 0.688 2.506 2.250) 3.438 10.834 ( -0.329 -2.340 1.372) 2.732 10.891 ( -2.179 -0.236 -1.865) 2.878 10.925 ( 0.015 -1.651 3.616) 3.975 11.168 ( 0.240 1.437 6.639) 6.797 11.348 ( -0.155 -3.099 1.944) 3.661 11.803 ( 1.384 1.772 -1.442) 2.671 11.946 ( 0.092 -2.206 -1.986) 2.970 12.749 ( 1.122 -0.190 -4.504) 4.646 12.771 ( 1.763 -0.523 -5.634) 5.927 12.838 ( 0.992 0.045 -5.921) 6.004 12.864 ( 0.913 -0.716 -6.802) 6.900 13.084 ( -1.382 0.916 3.312) 3.703 13.093 ( -0.113 0.150 4.623) 4.627 13.279 ( -0.448 0.402 0.417) 0.733 13.303 ( -0.854 -0.196 1.448) 1.692 13.450 ( 0.070 -0.440 1.819) 1.873 13.499 ( -0.940 -0.771 0.138) 1.223 13.513 ( 0.100 -3.064 0.776) 3.163 13.606 ( 0.744 -1.998 -0.295) 2.152 13.730 ( -0.261 -0.869 1.403) 1.671 13.774 ( -0.356 -2.090 0.761) 2.252 13.900 ( 0.586 0.839 -1.420) 1.750 13.911 ( 0.242 0.639 -0.547) 0.876 ======================= Grid point 62 (30/88) ======================= q-point: ( 0.17 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -3.433 23.130 17.701) 29.327 1.606 ( 8.896 14.331 24.072) 29.394 2.310 ( -5.787 -3.973 19.899) 21.101 2.391 ( 0.716 6.465 8.773) 10.921 2.591 ( -5.259 3.713 13.695) 15.133 2.706 ( -10.015 4.049 0.515) 10.814 2.729 ( 2.231 1.918 8.261) 8.770 2.846 ( 2.069 -1.133 20.563) 20.698 2.968 ( 3.123 2.173 3.665) 5.283 3.063 ( -3.580 0.753 1.344) 3.897 3.145 ( 2.559 -3.657 -0.568) 4.499 3.246 ( -2.600 3.610 1.382) 4.659 3.367 ( -0.472 7.760 -0.555) 7.795 3.415 ( -2.803 -1.516 6.970) 7.664 3.488 ( 2.397 1.407 5.029) 5.746 3.585 ( -0.831 3.535 8.969) 9.677 3.623 ( -3.599 4.366 13.709) 14.831 3.689 ( -1.438 7.494 3.586) 8.431 3.827 ( 1.729 3.454 -7.639) 8.560 3.921 ( -7.070 10.892 -2.183) 13.167 3.968 ( -1.437 3.759 0.629) 4.073 4.166 ( 2.953 13.073 -0.925) 13.434 4.246 ( -2.018 8.479 -2.783) 9.150 4.385 ( 4.206 6.791 -1.187) 8.076 4.735 ( -0.201 0.714 9.784) 9.812 5.027 ( 7.035 -10.286 3.869) 13.049 5.330 ( -15.232 9.352 -3.936) 18.302 5.831 ( 1.314 9.034 -12.924) 15.823 6.170 ( -4.899 -5.468 -3.807) 8.270 6.359 ( -0.227 -1.677 -1.234) 2.095 6.704 ( 1.199 -3.170 -5.458) 6.425 6.806 ( 3.240 -7.545 -7.314) 10.996 6.822 ( 7.728 1.863 2.972) 8.486 7.243 ( -3.279 -9.631 -1.394) 10.269 7.476 ( 3.096 1.092 -0.643) 3.345 7.786 ( 0.720 -6.135 -4.813) 7.830 7.932 ( 0.110 0.069 -1.069) 1.077 8.074 ( 2.483 -3.855 -1.794) 4.924 8.296 ( -3.304 3.041 -5.753) 7.298 8.567 ( 5.945 -4.173 -4.726) 8.665 9.623 ( -3.437 -3.419 3.538) 6.002 9.677 ( 1.008 -6.163 2.959) 6.911 9.797 ( -2.393 -2.108 0.438) 3.219 9.879 ( 2.817 -3.388 0.650) 4.454 10.262 ( 1.101 2.412 -2.019) 3.332 10.352 ( 0.569 5.275 -4.045) 6.672 10.450 ( -0.074 -2.419 -1.906) 3.080 10.552 ( 0.938 1.129 -3.690) 3.971 10.686 ( 0.760 1.942 2.158) 3.001 10.826 ( -1.622 -2.675 1.852) 3.636 10.858 ( -0.156 1.046 0.050) 1.059 10.931 ( -0.801 -1.581 2.668) 3.203 11.193 ( -0.381 0.734 4.988) 5.056 11.343 ( -1.357 -3.154 2.828) 4.449 11.830 ( 1.746 1.138 -1.018) 2.319 11.932 ( -0.585 -1.715 -2.328) 2.950 12.754 ( 1.413 -0.063 -4.428) 4.649 12.785 ( 2.036 -0.636 -5.399) 5.805 12.828 ( 0.573 0.086 -5.903) 5.932 12.845 ( 0.364 -0.302 -6.857) 6.874 13.064 ( -1.682 1.601 2.584) 3.474 13.111 ( -0.392 -0.206 5.144) 5.163 13.273 ( -0.392 -0.245 0.651) 0.798 13.294 ( -0.693 -0.482 1.430) 1.661 13.459 ( 0.172 -1.986 1.043) 2.250 13.484 ( -0.657 -0.106 0.810) 1.048 13.523 ( 0.522 -1.928 0.328) 2.024 13.616 ( 0.336 -1.326 -0.191) 1.381 13.733 ( 0.017 -2.007 1.156) 2.316 13.766 ( -0.921 -1.767 1.067) 2.260 13.906 ( 0.489 0.972 -1.135) 1.572 13.917 ( 0.627 0.551 -0.744) 1.118 ======================= Grid point 63 (31/88) ======================= q-point: ( 0.33 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 7.015 11.806 17.840) 22.514 1.907 ( 10.059 7.283 21.834) 25.119 2.195 ( -12.891 1.170 17.409) 21.694 2.363 ( -13.553 -3.226 14.613) 20.190 2.392 ( -10.343 8.655 -0.417) 13.493 2.590 ( -2.480 2.497 7.211) 8.024 2.764 ( -2.268 -3.724 14.440) 15.084 2.888 ( -7.301 1.216 1.521) 7.556 3.010 ( 2.133 -1.970 7.256) 7.815 3.092 ( -0.939 1.845 1.709) 2.685 3.124 ( -2.640 0.715 -0.188) 2.741 3.241 ( 4.278 -5.166 6.006) 9.004 3.373 ( -3.832 1.135 3.683) 5.435 3.452 ( 2.869 8.071 3.217) 9.150 3.539 ( -0.015 -0.002 5.226) 5.226 3.612 ( 2.845 10.830 6.724) 13.062 3.634 ( 0.546 4.429 7.133) 8.414 3.788 ( -3.898 8.646 -2.844) 9.901 3.812 ( 1.383 1.872 -5.240) 5.734 3.830 ( 11.481 13.672 11.039) 20.990 3.991 ( 2.179 7.941 1.609) 8.390 4.223 ( 0.130 6.200 -2.077) 6.540 4.238 ( 3.983 11.420 -0.108) 12.095 4.422 ( -3.216 5.289 1.420) 6.351 4.672 ( -13.257 7.336 3.191) 15.484 4.767 ( -14.241 11.121 2.668) 18.265 5.459 ( 16.294 -4.865 0.288) 17.007 5.840 ( 3.084 2.615 -11.351) 12.050 6.029 ( -6.209 -3.507 -3.484) 7.937 6.327 ( -2.503 -1.132 -1.199) 2.997 6.707 ( 1.553 -4.462 -5.190) 7.019 6.785 ( -0.495 -7.933 -6.979) 10.578 6.964 ( 2.600 -5.917 0.718) 6.503 7.216 ( 2.250 -8.693 0.679) 9.005 7.497 ( -0.338 2.062 -2.414) 3.193 7.792 ( 1.752 -2.738 -5.837) 6.681 7.943 ( 1.039 -0.323 1.468) 1.827 8.109 ( 2.197 -3.789 -3.097) 5.364 8.229 ( -1.349 6.120 -4.902) 7.957 8.640 ( 3.696 -5.067 -5.283) 8.201 9.571 ( -3.269 -2.031 3.888) 5.470 9.692 ( -1.002 -7.053 1.482) 7.276 9.772 ( -0.001 -1.381 1.794) 2.264 9.932 ( 2.204 -4.330 0.017) 4.858 10.266 ( 0.184 2.462 -2.329) 3.394 10.349 ( 1.368 5.365 -5.058) 7.500 10.439 ( -0.451 -1.901 -0.707) 2.077 10.579 ( 3.057 0.170 -3.274) 4.482 10.701 ( -0.046 1.832 1.818) 2.581 10.811 ( -0.594 -2.602 2.190) 3.453 10.866 ( -0.036 0.553 2.549) 2.608 10.925 ( -0.799 -0.947 2.869) 3.125 11.193 ( -1.180 0.361 2.215) 2.536 11.323 ( -1.937 -3.060 3.569) 5.085 11.853 ( 0.930 0.483 -1.571) 1.888 11.911 ( -0.317 -1.187 -2.420) 2.714 12.766 ( 1.705 -0.017 -4.489) 4.802 12.792 ( 0.455 -0.712 -5.263) 5.330 12.815 ( 1.296 0.445 -6.085) 6.238 12.830 ( 1.086 -0.060 -6.503) 6.594 13.047 ( -1.170 1.898 2.500) 3.349 13.118 ( -1.059 -0.601 4.979) 5.126 13.272 ( -0.039 -0.229 1.006) 1.033 13.289 ( -0.500 -0.562 1.892) 2.036 13.465 ( 0.215 -2.220 0.103) 2.233 13.483 ( 0.062 -1.400 1.247) 1.876 13.530 ( -0.092 -0.929 0.563) 1.091 13.618 ( 0.093 -0.865 -0.391) 0.954 13.738 ( 0.074 -3.117 0.434) 3.148 13.752 ( -1.034 -1.227 1.838) 2.440 13.908 ( 0.173 1.268 -0.836) 1.529 13.926 ( 0.630 0.440 -1.343) 1.548 ======================= Grid point 64 (32/88) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 1.424 2.390 13.657) 13.938 1.889 ( -16.473 7.877 12.956) 22.389 1.988 ( -14.129 1.939 12.736) 19.120 2.228 ( 5.353 8.241 13.345) 16.572 2.445 ( 4.822 0.835 15.081) 15.855 2.595 ( -0.508 2.467 7.749) 8.148 2.771 ( -2.758 -2.460 11.749) 12.316 2.812 ( -2.408 4.308 6.276) 7.984 2.944 ( -3.536 4.472 -1.344) 5.857 3.075 ( -1.882 3.686 2.658) 4.918 3.123 ( -1.488 -7.933 -0.606) 8.094 3.297 ( -4.125 2.948 3.728) 6.293 3.342 ( 2.453 -2.215 5.399) 6.330 3.489 ( -0.151 6.021 6.476) 8.843 3.520 ( -3.534 -6.521 1.677) 7.604 3.596 ( -2.174 5.213 1.959) 5.978 3.693 ( -4.264 5.250 -1.630) 6.957 3.775 ( 2.356 4.759 -1.008) 5.405 3.804 ( 5.053 7.477 2.664) 9.409 3.963 ( -16.458 20.399 1.255) 26.240 4.086 ( -4.165 6.780 3.274) 8.604 4.205 ( 3.597 8.147 0.818) 8.943 4.311 ( 3.786 12.677 -2.745) 13.512 4.343 ( 17.648 11.429 11.630) 24.028 4.590 ( -8.475 2.334 8.258) 12.061 4.640 ( 3.155 8.734 3.233) 9.833 5.626 ( -8.305 -2.786 -7.875) 11.779 5.817 ( 9.519 -11.684 -1.919) 15.192 6.048 ( 7.576 3.485 -3.891) 9.203 6.257 ( -3.998 0.054 -2.000) 4.471 6.719 ( 1.689 -5.295 -4.855) 7.379 6.736 ( -0.786 -6.707 -8.696) 11.010 6.977 ( 0.397 -7.528 1.327) 7.654 7.262 ( -0.736 -10.813 1.569) 10.951 7.478 ( 0.715 6.331 -3.654) 7.345 7.794 ( 1.351 -1.537 -6.480) 6.795 7.967 ( 0.047 -1.164 2.732) 2.970 8.121 ( 0.094 -4.448 -3.679) 5.773 8.211 ( 1.824 7.676 -4.367) 9.018 8.657 ( 0.481 -5.112 -6.049) 7.934 9.540 ( -1.510 -1.709 3.649) 4.303 9.661 ( -1.872 -6.661 -0.173) 6.921 9.804 ( 1.449 -2.373 3.605) 4.552 9.956 ( 0.242 -4.355 -0.277) 4.370 10.255 ( 0.040 2.893 -2.996) 4.165 10.357 ( 1.521 5.305 -5.163) 7.558 10.433 ( 0.060 -1.658 -0.011) 1.659 10.621 ( 1.917 0.221 -2.227) 2.946 10.714 ( 0.840 1.246 2.441) 2.867 10.806 ( -1.163 -3.635 1.752) 4.200 10.874 ( -0.310 0.583 3.009) 3.081 10.932 ( -0.081 -0.658 4.610) 4.657 11.167 ( -1.909 0.779 0.264) 2.078 11.307 ( -1.057 -2.926 3.305) 4.539 11.843 ( -0.768 0.599 -2.997) 3.152 11.911 ( 1.134 -1.320 -1.700) 2.433 12.768 ( 0.164 0.015 -5.151) 5.153 12.779 ( 1.233 -0.480 -5.199) 5.365 12.821 ( 1.873 0.403 -6.027) 6.324 12.834 ( 1.825 -0.135 -5.948) 6.223 13.042 ( -0.541 1.766 2.918) 3.454 13.114 ( -1.366 -0.844 4.378) 4.663 13.277 ( -0.016 0.345 1.590) 1.628 13.294 ( 0.082 -0.339 2.058) 2.088 13.470 ( 0.258 -2.365 0.484) 2.428 13.489 ( -0.159 -2.483 1.002) 2.682 13.525 ( -0.509 -0.399 0.646) 0.914 13.615 ( -0.224 -1.209 -0.779) 1.455 13.735 ( -0.560 -1.703 0.952) 2.030 13.750 ( 0.101 -2.415 1.381) 2.783 13.906 ( -0.029 1.439 -0.874) 1.683 13.928 ( 0.240 0.437 -1.678) 1.751 ======================= Grid point 65 (33/88) ======================= q-point: (-0.33 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -15.653 14.701 9.161) 23.347 1.632 ( -16.372 15.174 19.053) 29.348 2.119 ( 5.268 -4.322 16.281) 17.649 2.374 ( 5.422 3.646 12.399) 14.015 2.579 ( -1.306 5.416 10.214) 11.635 2.627 ( 3.774 1.912 6.507) 7.762 2.750 ( -6.338 2.340 1.967) 7.037 2.831 ( 2.711 -0.928 6.362) 6.977 2.928 ( -4.600 2.299 9.737) 11.011 2.975 ( -5.382 6.059 -2.592) 8.508 3.139 ( 4.995 1.036 0.936) 5.187 3.249 ( -1.285 1.925 4.877) 5.398 3.345 ( -4.127 -1.808 5.346) 6.992 3.456 ( -8.332 12.821 -0.931) 15.319 3.487 ( -1.172 0.922 4.380) 4.627 3.529 ( -3.952 16.172 4.653) 17.286 3.609 ( -1.294 -4.166 1.321) 4.558 3.702 ( -3.146 10.877 6.462) 13.037 3.793 ( 0.965 -3.602 2.070) 4.265 3.983 ( 6.642 7.131 4.298) 10.651 4.085 ( -1.765 5.327 2.493) 6.141 4.236 ( 1.899 9.771 3.633) 10.596 4.341 ( 0.872 11.366 -3.073) 11.807 4.424 ( -6.832 5.643 -0.904) 8.907 4.618 ( 0.148 -1.371 7.257) 7.387 4.925 ( 19.957 8.263 5.962) 22.408 5.337 ( -13.025 -7.069 -3.049) 15.130 6.011 ( 7.900 -6.365 -5.677) 11.625 6.174 ( -1.515 1.431 -4.425) 4.891 6.181 ( 6.115 1.900 0.076) 6.404 6.677 ( -1.046 -3.434 -7.925) 8.700 6.746 ( 2.872 -5.799 -5.651) 8.592 6.987 ( -2.036 -5.413 0.877) 5.849 7.215 ( -1.375 -6.955 -0.176) 7.091 7.470 ( -1.344 3.760 -3.189) 5.110 7.800 ( 2.055 -2.657 -6.000) 6.876 7.966 ( -1.155 -1.517 3.014) 3.566 8.090 ( -1.212 -4.025 -4.326) 6.032 8.257 ( 4.491 5.058 -3.445) 7.591 8.610 ( -2.481 -4.646 -6.705) 8.526 9.549 ( 0.988 -2.392 3.043) 3.995 9.634 ( -0.815 -6.733 0.151) 6.784 9.842 ( 0.712 -2.941 3.669) 4.756 9.938 ( -1.949 -3.727 0.088) 4.207 10.246 ( 0.347 2.947 -3.200) 4.364 10.359 ( 0.753 5.672 -4.582) 7.330 10.441 ( 0.892 -2.004 -0.585) 2.270 10.631 ( 0.261 1.999 -0.769) 2.157 10.722 ( -2.505 0.562 2.081) 3.305 10.805 ( 1.670 -5.106 0.133) 5.374 10.878 ( -0.748 0.659 4.088) 4.208 10.952 ( -0.187 -1.112 3.940) 4.098 11.135 ( -1.474 1.863 1.617) 2.874 11.313 ( 0.362 -2.900 2.250) 3.688 11.813 ( -0.720 1.300 -3.236) 3.561 11.929 ( 1.318 -1.887 -1.575) 2.789 12.753 ( 0.558 0.029 -4.870) 4.902 12.775 ( 0.851 -0.584 -5.901) 5.990 12.836 ( 1.977 0.028 -6.129) 6.440 12.846 ( 2.169 -0.100 -5.667) 6.068 13.050 ( -0.077 1.335 3.549) 3.793 13.106 ( -1.243 -0.704 3.971) 4.220 13.284 ( -0.089 0.950 1.643) 1.900 13.304 ( 0.070 0.087 1.947) 1.950 13.468 ( -1.251 -2.032 1.194) 2.668 13.490 ( 0.344 -2.150 0.834) 2.331 13.523 ( -0.082 -1.552 0.637) 1.679 13.604 ( -0.416 -1.698 -1.172) 2.105 13.731 ( -0.424 -0.808 1.588) 1.832 13.761 ( 0.486 -2.680 0.801) 2.839 13.901 ( -0.018 1.361 -1.051) 1.720 13.922 ( -0.111 0.514 -1.620) 1.704 ======================= Grid point 66 (34/88) ======================= q-point: (-0.17 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -7.679 19.087 19.371) 28.258 1.486 ( -4.257 27.106 15.354) 31.443 2.217 ( -1.696 2.297 15.540) 15.800 2.375 ( -13.431 7.096 9.997) 18.184 2.597 ( 1.590 1.098 19.375) 19.471 2.689 ( 1.613 5.555 4.990) 7.639 2.728 ( 2.031 0.645 2.171) 3.042 2.777 ( -6.323 4.826 3.311) 8.616 2.876 ( 0.730 3.335 9.611) 10.199 3.037 ( 4.263 6.535 0.903) 7.854 3.207 ( 0.558 0.441 -0.610) 0.937 3.260 ( -3.691 5.644 0.680) 6.778 3.288 ( -3.862 -1.996 7.342) 8.532 3.364 ( 1.933 0.968 4.662) 5.139 3.494 ( 0.334 -3.255 3.771) 4.993 3.534 ( 1.334 8.995 4.506) 10.148 3.652 ( 4.105 2.924 3.003) 5.866 3.692 ( -3.110 4.503 9.578) 11.031 3.854 ( 4.715 1.649 -2.224) 5.467 3.992 ( -7.792 5.403 4.280) 10.403 4.090 ( 4.287 6.841 0.323) 8.080 4.241 ( -2.933 13.033 -0.110) 13.360 4.315 ( -4.050 8.150 -6.154) 10.986 4.442 ( 8.800 6.235 6.405) 12.543 4.552 ( -8.890 2.773 4.456) 10.324 4.920 ( -11.781 -17.308 1.805) 21.015 5.479 ( 17.169 5.771 2.190) 18.245 5.992 ( -3.060 2.027 -8.786) 9.522 6.210 ( 3.162 -4.719 -2.837) 6.349 6.281 ( 4.782 1.150 -1.785) 5.232 6.630 ( -0.544 2.548 -6.901) 7.377 6.778 ( 2.653 -6.064 -5.370) 8.523 6.867 ( -8.233 -0.766 -0.041) 8.269 7.259 ( 3.244 -8.385 0.526) 9.006 7.412 ( -1.248 3.375 -4.334) 5.633 7.814 ( 1.399 -5.762 -4.716) 7.576 7.957 ( -0.771 -1.923 1.206) 2.397 8.048 ( -1.128 -3.227 -3.000) 4.548 8.346 ( 6.145 1.626 -3.440) 7.227 8.516 ( -4.040 -3.337 -7.096) 8.821 9.596 ( 2.350 -4.065 2.392) 5.270 9.634 ( 0.547 -6.448 1.369) 6.614 9.853 ( -1.063 -3.125 2.659) 4.238 9.891 ( -2.868 -2.695 0.919) 4.041 10.243 ( 0.685 2.826 -2.901) 4.107 10.352 ( 0.522 5.992 -3.696) 7.059 10.455 ( 0.879 -2.489 -1.814) 3.203 10.631 ( -0.443 1.787 -1.258) 2.230 10.661 ( -3.167 1.315 1.784) 3.865 10.833 ( 0.571 -3.902 -0.504) 3.976 10.893 ( 0.491 -0.801 5.078) 5.164 10.941 ( -1.744 -0.681 -0.016) 1.873 11.137 ( 0.003 2.087 5.666) 6.038 11.334 ( 0.724 -2.982 1.675) 3.496 11.795 ( 0.252 1.846 -2.489) 3.109 11.944 ( 0.907 -2.265 -1.696) 2.971 12.748 ( 0.964 -0.142 -4.598) 4.700 12.768 ( 1.119 -0.520 -5.936) 6.063 12.840 ( 1.325 -0.017 -6.001) 6.145 12.864 ( 2.001 -0.563 -6.322) 6.655 13.068 ( 0.219 0.810 4.173) 4.256 13.099 ( -1.272 -0.136 3.734) 3.947 13.285 ( -0.364 1.054 0.834) 1.392 13.310 ( -0.440 0.144 1.845) 1.903 13.449 ( -0.873 -0.584 1.337) 1.700 13.502 ( 0.244 -2.478 1.085) 2.716 13.520 ( -0.642 -2.268 0.588) 2.429 13.597 ( 0.300 -1.991 -0.963) 2.232 13.730 ( -0.382 -0.510 1.595) 1.717 13.772 ( 0.259 -2.412 0.686) 2.520 13.898 ( 0.247 1.061 -1.275) 1.676 13.913 ( -0.077 0.601 -1.118) 1.272 ======================= Grid point 67 (35/88) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -1.612 17.338 18.726) 25.571 1.979 ( -4.299 10.972 6.746) 13.579 2.165 ( -0.851 -2.291 20.103) 20.251 2.343 ( -0.313 -5.762 10.674) 12.134 2.652 ( -4.776 -0.601 17.891) 18.527 2.665 ( -1.794 -1.934 18.583) 18.769 2.790 ( -2.091 5.567 -2.300) 6.376 2.894 ( -0.956 -3.022 2.126) 3.816 2.967 ( -0.671 5.539 0.885) 5.649 3.076 ( -2.104 -3.618 -1.534) 4.457 3.116 ( -1.879 1.281 1.645) 2.807 3.241 ( 1.174 -8.168 2.270) 8.558 3.355 ( 1.710 -0.655 6.628) 6.877 3.375 ( 0.139 -1.443 7.459) 7.599 3.564 ( 0.317 8.002 5.177) 9.536 3.622 ( -3.332 0.506 3.290) 4.710 3.804 ( -1.657 18.881 12.584) 22.751 3.901 ( 0.535 3.600 -1.833) 4.075 3.967 ( -1.380 3.733 -2.884) 4.916 4.028 ( 0.951 7.145 2.359) 7.584 4.140 ( -4.448 0.314 0.305) 4.469 4.355 ( -3.899 -17.953 4.455) 18.904 4.425 ( -0.057 8.656 -2.569) 9.029 4.484 ( 4.437 -2.011 3.468) 5.980 4.551 ( -1.082 7.648 2.269) 8.051 4.658 ( 3.364 -2.526 6.913) 8.092 5.760 ( -0.738 10.952 -3.962) 11.671 5.991 ( 2.624 -7.712 -7.040) 10.767 6.135 ( -2.151 6.548 -4.020) 7.979 6.302 ( 1.348 -5.465 -3.696) 6.734 6.653 ( 0.658 -2.202 -5.802) 6.240 6.669 ( 0.948 -3.944 -5.329) 6.697 6.887 ( -0.512 11.149 0.882) 11.195 7.106 ( -1.483 -10.259 1.402) 10.460 7.476 ( 1.916 4.830 -3.821) 6.450 7.620 ( 0.183 -9.220 -3.506) 9.866 7.946 ( 0.292 0.852 -1.747) 1.965 7.980 ( 0.650 -2.516 -1.347) 2.927 8.398 ( -0.505 0.701 -6.104) 6.165 8.424 ( 3.392 -1.813 -5.471) 6.687 9.559 ( 0.881 -2.051 3.070) 3.796 9.567 ( 0.471 -2.784 3.170) 4.245 9.804 ( -1.369 -0.681 1.124) 1.898 9.811 ( -1.214 -1.303 1.092) 2.089 10.315 ( 0.796 3.828 -2.244) 4.508 10.390 ( 0.612 -3.496 -2.429) 4.301 10.473 ( 0.076 5.643 -3.778) 6.791 10.563 ( -1.071 -2.828 -3.940) 4.967 10.708 ( 0.272 2.352 2.266) 3.278 10.764 ( 0.163 -3.570 1.978) 4.085 10.896 ( -1.316 0.600 1.622) 2.173 10.908 ( -0.989 -0.593 2.484) 2.739 11.212 ( -0.044 2.939 4.348) 5.249 11.279 ( -0.204 -3.642 2.606) 4.483 11.846 ( 0.931 2.453 -1.634) 3.090 11.897 ( 0.463 -2.661 -1.824) 3.259 12.749 ( 1.263 0.242 -4.658) 4.832 12.758 ( 1.501 -0.660 -5.014) 5.275 12.842 ( 1.106 0.356 -6.386) 6.491 12.851 ( 1.071 -0.576 -6.692) 6.802 13.097 ( -0.403 0.252 4.211) 4.238 13.097 ( -0.755 0.232 3.978) 4.056 13.289 ( -1.152 0.530 0.869) 1.537 13.298 ( -1.189 -0.348 1.280) 1.781 13.433 ( -0.261 -0.232 0.708) 0.789 13.455 ( -0.327 -2.302 0.650) 2.414 13.515 ( 0.681 1.601 0.091) 1.742 13.558 ( 0.934 -2.602 -0.288) 2.779 13.724 ( -0.593 0.474 1.364) 1.561 13.743 ( -0.413 -1.248 1.542) 2.026 13.916 ( 0.458 0.594 -1.268) 1.474 13.920 ( 0.334 0.143 -0.924) 0.993 ======================= Grid point 68 (36/88) ======================= q-point: ( 0.17 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -1.909 13.158 22.494) 26.130 1.904 ( -3.646 13.984 8.231) 16.631 2.202 ( -4.328 -3.293 21.091) 21.781 2.362 ( -4.179 -9.911 8.633) 13.792 2.631 ( -4.984 1.657 18.183) 18.926 2.693 ( -3.425 -3.848 15.771) 16.591 2.749 ( -4.184 3.208 -0.890) 5.346 2.829 ( -1.867 -1.785 1.651) 3.066 2.952 ( -2.049 0.281 2.568) 3.297 3.037 ( 0.019 -5.312 -1.850) 5.625 3.119 ( 1.229 4.202 1.616) 4.667 3.218 ( -2.011 -4.920 0.738) 5.366 3.428 ( -0.096 2.012 8.950) 9.174 3.452 ( 3.873 -0.499 8.065) 8.960 3.577 ( -3.457 1.869 4.351) 5.863 3.596 ( -1.520 -0.546 8.798) 8.945 3.800 ( -5.812 3.379 -1.421) 6.871 3.843 ( -2.409 0.561 -2.008) 3.186 3.952 ( 6.052 23.997 8.210) 26.074 4.074 ( 0.839 6.712 0.970) 6.834 4.097 ( 0.053 3.445 -3.067) 4.613 4.330 ( -0.397 -5.495 -1.259) 5.651 4.432 ( 2.091 11.345 -0.531) 11.548 4.518 ( -0.728 6.397 6.263) 8.982 4.693 ( 5.730 -6.029 5.262) 9.843 4.761 ( 8.397 -11.208 6.126) 15.286 5.613 ( -11.450 17.674 -4.023) 21.440 5.942 ( -5.318 -11.966 -6.517) 14.626 6.095 ( 0.582 10.924 -5.949) 12.453 6.304 ( 0.536 -6.199 -3.812) 7.297 6.632 ( 0.197 -2.873 -6.004) 6.659 6.655 ( 0.178 -5.237 -6.263) 8.166 6.903 ( 0.917 5.836 1.290) 6.047 7.052 ( -3.423 -8.987 0.782) 9.648 7.528 ( 4.187 4.511 -3.147) 6.912 7.650 ( 4.102 -7.160 -4.113) 9.220 7.947 ( 0.536 1.605 -1.167) 2.055 7.998 ( 1.683 -3.463 -1.401) 4.097 8.373 ( 0.588 4.680 -5.746) 7.434 8.473 ( 3.864 -5.145 -5.325) 8.352 9.569 ( -1.646 -1.407 3.813) 4.385 9.583 ( -0.168 -2.902 3.638) 4.657 9.781 ( -0.953 0.549 0.515) 1.214 9.815 ( 1.026 -2.733 0.559) 2.973 10.322 ( 0.714 3.457 -1.727) 3.930 10.390 ( 0.282 -3.233 -1.682) 3.655 10.461 ( 0.684 5.111 -4.832) 7.067 10.541 ( 0.843 -2.460 -5.126) 5.748 10.724 ( 0.181 1.934 2.549) 3.205 10.768 ( -0.755 -2.712 2.584) 3.821 10.880 ( -0.635 1.183 1.287) 1.860 10.904 ( -0.715 -1.215 2.568) 2.930 11.222 ( -0.834 2.218 3.978) 4.631 11.277 ( -1.214 -3.263 3.102) 4.663 11.858 ( 0.949 1.686 -1.460) 2.423 11.895 ( 0.104 -1.958 -1.939) 2.757 12.757 ( 1.584 0.399 -4.583) 4.865 12.770 ( 1.741 -0.822 -4.853) 5.220 12.833 ( 0.811 0.317 -6.360) 6.420 12.839 ( 0.748 -0.314 -6.692) 6.741 13.092 ( -1.238 1.083 3.610) 3.967 13.106 ( -0.737 -0.384 4.452) 4.529 13.273 ( -0.723 0.294 0.819) 1.131 13.283 ( -0.860 -0.605 1.198) 1.594 13.431 ( -0.108 -0.394 0.262) 0.485 13.449 ( -0.445 -2.045 0.404) 2.132 13.530 ( 0.632 1.614 0.336) 1.766 13.574 ( 0.687 -2.610 -0.070) 2.700 13.717 ( -0.686 0.500 1.280) 1.536 13.737 ( -0.822 -1.281 1.770) 2.334 13.922 ( 0.656 0.559 -1.188) 1.468 13.926 ( 0.591 0.164 -0.935) 1.118 ======================= Grid point 69 (37/88) ======================= q-point: ( 0.33 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -4.048 12.521 16.851) 21.381 1.983 ( -1.032 -0.991 18.984) 19.038 2.195 ( -3.815 -0.233 21.612) 21.947 2.251 ( -9.753 -6.037 8.300) 14.158 2.544 ( -8.602 6.752 5.490) 12.236 2.669 ( -5.717 -5.793 13.305) 15.597 2.692 ( -0.701 7.528 8.119) 11.094 2.859 ( 1.507 -8.321 2.069) 8.706 2.956 ( 2.131 4.455 3.853) 6.264 3.089 ( 4.586 -7.246 0.873) 8.620 3.146 ( 0.097 2.517 1.747) 3.065 3.184 ( -1.997 0.777 0.115) 2.146 3.370 ( -8.367 2.052 8.368) 12.010 3.468 ( -6.625 -5.824 6.156) 10.757 3.557 ( -0.584 4.113 7.931) 8.953 3.619 ( -0.139 -1.839 9.114) 9.299 3.746 ( 1.309 2.492 -2.778) 3.955 3.789 ( -0.473 -1.873 -4.915) 5.280 4.060 ( -0.870 9.223 -0.966) 9.314 4.107 ( 1.010 3.167 -0.034) 3.324 4.178 ( 10.756 13.110 5.841) 17.935 4.297 ( -1.651 0.042 -1.589) 2.292 4.515 ( 4.913 13.851 3.355) 15.075 4.556 ( 1.834 8.371 7.391) 11.317 4.728 ( -1.058 2.677 3.742) 4.721 4.948 ( 1.992 -6.303 0.627) 6.640 5.413 ( -2.566 10.618 -0.638) 10.942 5.741 ( -12.333 -14.904 -5.898) 20.224 6.105 ( 3.038 10.994 -6.835) 13.297 6.287 ( -0.663 -4.775 -4.017) 6.275 6.616 ( 0.856 -3.783 -6.051) 7.187 6.629 ( 0.256 -5.609 -7.481) 9.354 6.910 ( -0.801 1.708 2.307) 2.980 7.026 ( 0.165 -9.002 2.372) 9.311 7.588 ( 3.373 6.194 -3.987) 8.102 7.710 ( 3.641 -5.544 -5.009) 8.311 7.957 ( 0.626 1.983 0.102) 2.082 8.022 ( 1.284 -4.341 -1.643) 4.816 8.370 ( 1.360 7.647 -5.367) 9.440 8.518 ( 2.992 -7.061 -5.456) 9.412 9.543 ( -2.436 -0.219 3.560) 4.319 9.579 ( -1.668 -3.968 2.845) 5.160 9.779 ( 0.406 1.999 1.015) 2.279 9.843 ( 1.403 -4.221 0.422) 4.469 10.325 ( 0.261 3.268 -1.492) 3.602 10.387 ( -0.061 -2.747 -0.996) 2.922 10.463 ( 1.705 5.274 -5.319) 7.682 10.552 ( 2.451 -3.174 -5.370) 6.702 10.732 ( -0.378 1.375 2.233) 2.650 10.762 ( -0.965 -1.929 3.037) 3.725 10.883 ( -0.164 1.019 2.593) 2.791 10.904 ( -0.431 -1.106 3.074) 3.295 11.214 ( -1.393 1.784 2.782) 3.586 11.262 ( -1.676 -2.940 3.240) 4.686 11.866 ( 0.507 0.860 -1.848) 2.101 11.886 ( 0.049 -1.182 -2.155) 2.458 12.768 ( 1.528 0.315 -4.746) 4.995 12.778 ( 1.107 -0.644 -4.981) 5.143 12.824 ( 1.166 0.346 -6.240) 6.358 12.828 ( 1.118 -0.158 -6.430) 6.529 13.082 ( -1.245 1.535 3.384) 3.919 13.105 ( -1.216 -0.821 4.250) 4.496 13.271 ( 0.020 0.116 1.330) 1.335 13.277 ( -0.308 -0.512 1.673) 1.777 13.432 ( 0.160 -0.699 0.152) 0.733 13.444 ( -0.215 -1.729 0.391) 1.786 13.537 ( -0.013 1.368 0.071) 1.370 13.580 ( 0.026 -2.665 -0.426) 2.699 13.712 ( -0.391 0.323 1.433) 1.521 13.729 ( -0.848 -1.091 1.998) 2.429 13.928 ( 0.436 0.647 -1.113) 1.360 13.933 ( 0.552 0.127 -1.267) 1.388 ======================= Grid point 70 (38/88) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -2.491 3.810 17.624) 18.203 1.934 ( -7.997 -3.039 19.843) 21.609 2.110 ( -8.506 10.577 9.604) 16.627 2.309 ( 4.774 -7.266 19.010) 20.903 2.439 ( -4.179 7.494 6.024) 10.484 2.601 ( -5.552 -6.373 10.879) 13.777 2.749 ( 1.811 5.540 9.745) 11.355 2.892 ( 0.827 -6.093 2.959) 6.824 3.018 ( -1.510 6.894 0.922) 7.117 3.086 ( -0.015 7.872 1.076) 7.945 3.140 ( -0.627 0.946 0.651) 1.308 3.240 ( 4.417 -5.667 5.463) 9.027 3.267 ( -4.681 -3.981 4.565) 7.655 3.342 ( -7.381 -9.404 4.352) 12.723 3.565 ( -1.524 4.474 6.513) 8.048 3.646 ( -0.562 -2.222 7.579) 7.918 3.762 ( 0.391 1.520 -4.267) 4.546 3.772 ( 0.019 0.631 -0.851) 1.060 4.063 ( 1.848 9.562 0.908) 9.781 4.139 ( 1.817 1.226 0.764) 2.321 4.265 ( -2.025 7.443 3.390) 8.426 4.361 ( 5.778 0.264 1.485) 5.972 4.515 ( -5.789 9.940 4.327) 12.290 4.607 ( -4.694 0.630 6.748) 8.244 4.720 ( -3.814 20.755 -1.669) 21.168 4.898 ( 3.923 10.700 0.607) 11.412 5.460 ( -10.428 -8.751 -3.878) 14.155 5.573 ( 11.867 -13.282 -0.148) 17.812 6.150 ( 4.337 6.512 -5.633) 9.641 6.249 ( -1.177 -2.076 -4.806) 5.366 6.608 ( 1.189 -4.351 -7.934) 9.127 6.616 ( 1.806 -4.209 -5.772) 7.368 6.916 ( 0.314 2.306 3.586) 4.275 7.049 ( 0.281 -9.892 3.306) 10.434 7.615 ( 1.079 7.116 -4.224) 8.345 7.737 ( 1.478 -4.642 -5.686) 7.487 7.964 ( -0.261 1.391 0.874) 1.664 8.026 ( -0.098 -4.547 -2.042) 4.986 8.373 ( 1.145 8.389 -5.313) 9.996 8.531 ( 0.742 -7.415 -5.912) 9.512 9.515 ( -1.690 -0.167 2.901) 3.362 9.551 ( -1.920 -3.914 1.575) 4.635 9.800 ( 0.903 1.844 2.012) 2.875 9.865 ( 0.503 -4.348 0.619) 4.421 10.321 ( 0.085 3.441 -1.778) 3.874 10.382 ( 0.143 -2.631 -1.068) 2.843 10.478 ( 1.888 5.871 -4.693) 7.750 10.584 ( 2.908 -4.164 -4.602) 6.854 10.732 ( -0.428 0.777 2.099) 2.279 10.752 ( -1.589 -1.571 2.708) 3.511 10.891 ( -0.373 1.093 3.608) 3.788 10.913 ( -0.257 -1.113 4.269) 4.420 11.196 ( -1.355 2.085 1.753) 3.042 11.247 ( -1.035 -2.979 2.790) 4.210 11.859 ( -0.148 1.058 -2.577) 2.789 11.884 ( 0.556 -1.383 -2.091) 2.568 12.769 ( 0.488 0.079 -5.226) 5.249 12.772 ( 0.851 -0.268 -5.231) 5.307 12.827 ( 1.852 0.268 -6.091) 6.372 12.831 ( 1.820 -0.143 -6.016) 6.287 13.075 ( -0.975 1.458 3.450) 3.871 13.098 ( -1.266 -0.886 3.949) 4.241 13.282 ( 0.338 0.189 2.031) 2.068 13.287 ( 0.458 -0.298 2.117) 2.187 13.435 ( -0.062 -0.835 0.284) 0.884 13.444 ( 0.046 -1.692 0.595) 1.794 13.531 ( -0.518 1.196 -0.319) 1.342 13.572 ( -0.487 -2.687 -0.940) 2.888 13.715 ( 0.004 -0.025 1.640) 1.640 13.724 ( -0.522 -0.776 1.950) 2.163 13.928 ( 0.115 0.754 -1.184) 1.408 13.934 ( 0.223 0.091 -1.492) 1.511 ======================= Grid point 71 (39/88) ======================= q-point: (-0.33 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -7.535 11.085 18.034) 22.470 1.990 ( 0.783 -6.952 16.103) 17.557 2.014 ( -5.599 19.585 12.763) 24.038 2.390 ( -1.317 -11.498 3.915) 12.217 2.500 ( 2.635 -1.513 18.523) 18.771 2.576 ( -1.536 -4.699 14.536) 15.354 2.826 ( 1.705 4.946 7.108) 8.826 2.904 ( -1.818 -2.463 3.726) 4.822 2.945 ( -1.362 10.791 -0.777) 10.904 3.112 ( -2.136 3.705 1.282) 4.465 3.153 ( 2.649 1.220 0.874) 3.045 3.214 ( -4.226 -4.746 3.257) 7.140 3.238 ( -1.163 -4.224 4.850) 6.535 3.341 ( 1.010 -8.241 5.032) 9.708 3.579 ( 0.957 3.662 5.074) 6.330 3.680 ( 1.109 -5.188 5.865) 7.908 3.740 ( -0.538 6.340 -0.630) 6.394 3.784 ( 1.772 2.496 0.874) 3.184 4.093 ( -11.701 22.435 4.734) 25.742 4.136 ( -0.016 8.121 1.409) 8.242 4.177 ( 0.410 3.418 -0.208) 3.449 4.426 ( 3.389 5.658 3.312) 7.380 4.467 ( -5.627 -2.566 3.452) 7.082 4.526 ( -0.857 0.388 4.026) 4.134 4.616 ( -5.928 8.276 -0.153) 10.181 4.870 ( -10.740 -14.137 -2.773) 17.970 5.438 ( 10.467 17.630 -0.056) 20.503 5.799 ( 10.546 -15.572 -3.190) 19.076 6.207 ( 0.295 1.861 -2.481) 3.116 6.221 ( 3.752 1.093 -6.433) 7.527 6.612 ( 2.536 -2.132 -7.169) 7.897 6.637 ( 2.669 -4.344 -5.399) 7.425 6.943 ( 0.290 2.165 3.388) 4.031 7.056 ( -0.490 -8.014 2.963) 8.558 7.586 ( -2.380 7.042 -4.159) 8.518 7.719 ( -0.984 -5.731 -5.190) 7.794 7.956 ( -0.687 0.981 0.567) 1.325 8.007 ( -0.711 -3.842 -2.441) 4.607 8.373 ( 1.359 6.373 -5.199) 8.336 8.500 ( -1.125 -6.242 -6.321) 8.954 9.509 ( -0.081 -0.983 2.422) 2.615 9.530 ( -0.725 -3.314 1.296) 3.632 9.821 ( 0.128 0.773 2.347) 2.475 9.864 ( -0.938 -3.323 1.022) 3.601 10.315 ( 0.226 3.743 -2.182) 4.339 10.384 ( 0.589 -3.015 -1.779) 3.550 10.489 ( 1.067 6.600 -3.678) 7.631 10.613 ( 1.685 -4.822 -3.820) 6.378 10.723 ( -2.289 0.170 2.173) 3.161 10.737 ( 0.042 -1.151 1.891) 2.214 10.898 ( -0.618 1.298 4.207) 4.446 10.926 ( -0.470 -1.438 4.128) 4.396 11.184 ( -0.584 3.006 2.036) 3.677 11.249 ( 0.099 -3.429 2.223) 4.088 11.845 ( -0.003 1.949 -2.672) 3.307 11.887 ( 0.736 -2.215 -2.071) 3.120 12.755 ( 0.541 0.270 -5.114) 5.150 12.764 ( 0.696 -0.536 -5.438) 5.509 12.838 ( 1.851 0.210 -6.243) 6.515 12.843 ( 1.987 -0.224 -6.043) 6.365 13.075 ( -0.590 1.122 3.675) 3.888 13.093 ( -0.920 -0.722 3.869) 4.042 13.298 ( 0.222 0.530 2.392) 2.460 13.305 ( 0.258 -0.104 2.384) 2.400 13.434 ( -0.178 -0.704 0.470) 0.865 13.448 ( 0.068 -1.877 0.617) 1.977 13.518 ( -0.550 1.032 -0.512) 1.276 13.557 ( -0.512 -2.617 -1.258) 2.949 13.722 ( -0.138 -0.073 1.943) 1.949 13.728 ( 0.221 -0.777 1.555) 1.752 13.923 ( -0.088 0.764 -1.290) 1.502 13.929 ( -0.074 0.110 -1.481) 1.487 ======================= Grid point 72 (40/88) ======================= q-point: (-0.17 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -4.275 16.990 17.705) 24.908 1.989 ( -1.084 17.178 7.674) 18.846 2.080 ( 0.173 -6.549 20.026) 21.071 2.354 ( -4.014 -9.806 6.538) 12.451 2.597 ( 0.468 0.185 18.395) 18.401 2.642 ( -0.952 -4.690 16.164) 16.857 2.845 ( -1.716 5.093 1.186) 5.504 2.877 ( -0.924 3.962 2.223) 4.636 2.961 ( 1.434 6.266 0.361) 6.438 3.100 ( -0.298 -1.183 1.599) 2.012 3.158 ( -2.984 -4.301 2.172) 5.667 3.184 ( 1.649 -5.334 1.700) 5.837 3.287 ( 2.505 0.086 6.920) 7.360 3.359 ( -0.669 -5.616 6.686) 8.757 3.591 ( -3.175 7.437 2.814) 8.562 3.676 ( -3.047 -1.687 3.995) 5.300 3.804 ( 6.420 7.273 0.542) 9.716 3.845 ( -4.086 20.671 5.257) 21.717 3.889 ( 1.189 4.152 4.031) 5.908 4.124 ( -6.778 5.722 2.415) 9.193 4.191 ( 1.063 2.535 0.330) 2.769 4.375 ( -2.655 -12.227 1.854) 12.649 4.490 ( -4.327 2.514 3.961) 6.382 4.506 ( -2.885 2.866 -1.485) 4.329 4.548 ( 1.732 2.265 6.185) 6.810 4.639 ( -8.084 -4.672 -1.427) 9.446 5.667 ( 10.713 13.255 -1.782) 17.136 5.933 ( 5.941 -10.729 -5.963) 13.637 6.184 ( -0.884 4.473 -3.648) 5.839 6.277 ( 3.138 -2.622 -3.942) 5.680 6.639 ( 2.927 -0.851 -6.050) 6.775 6.663 ( 2.116 -4.138 -5.149) 6.936 6.924 ( -3.057 6.454 1.686) 7.337 7.084 ( 1.996 -8.922 2.457) 9.467 7.508 ( -2.976 6.544 -4.293) 8.373 7.664 ( -2.382 -8.572 -3.983) 9.748 7.948 ( -0.028 0.847 -0.817) 1.177 7.986 ( -0.414 -2.775 -2.004) 3.448 8.387 ( 2.457 2.544 -5.135) 6.235 8.447 ( -1.364 -3.426 -6.501) 7.474 9.530 ( 0.951 -1.910 2.320) 3.152 9.538 ( 0.831 -2.848 2.176) 3.679 9.821 ( -1.045 -0.214 1.942) 2.216 9.840 ( -1.923 -2.030 1.317) 3.091 10.312 ( 0.519 3.948 -2.419) 4.659 10.388 ( 0.725 -3.418 -2.469) 4.279 10.486 ( 0.181 6.550 -3.199) 7.292 10.604 ( -1.059 -4.399 -3.392) 5.655 10.701 ( -0.684 2.195 2.042) 3.075 10.750 ( 0.482 -3.274 1.549) 3.654 10.902 ( -0.775 1.008 4.007) 4.204 10.924 ( -1.201 -1.073 2.325) 2.829 11.192 ( 0.175 3.414 3.473) 4.873 11.265 ( 0.481 -3.763 2.191) 4.381 11.839 ( 0.498 2.568 -2.211) 3.426 11.893 ( 0.722 -2.765 -1.926) 3.446 12.748 ( 0.900 0.210 -4.851) 4.938 12.756 ( 0.980 -0.575 -5.296) 5.417 12.844 ( 1.486 0.324 -6.340) 6.520 12.852 ( 1.674 -0.533 -6.448) 6.683 13.083 ( -0.235 0.722 3.970) 4.042 13.095 ( -0.687 -0.382 3.936) 4.014 13.303 ( -0.728 0.710 1.738) 2.014 13.311 ( -0.703 -0.097 2.041) 2.161 13.433 ( -0.119 -0.291 0.711) 0.778 13.453 ( 0.124 -2.170 0.746) 2.298 13.509 ( -0.081 1.064 -0.349) 1.123 13.548 ( 0.228 -2.565 -1.006) 2.765 13.726 ( -0.268 0.237 1.684) 1.722 13.739 ( 0.136 -1.051 1.510) 1.844 13.916 ( 0.042 0.686 -1.330) 1.497 13.922 ( -0.019 0.134 -1.220) 1.228 ======================= Grid point 91 (41/88) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 4.507 0.000 27.429) 27.797 1.340 ( -4.927 0.000 35.051) 35.396 2.278 ( 2.987 0.000 29.521) 29.672 2.482 ( -1.789 0.000 8.338) 8.528 2.640 ( 3.589 0.000 12.960) 13.448 2.702 ( -5.650 0.000 -2.067) 6.016 2.808 ( 16.261 0.000 4.776) 16.948 3.020 ( 13.379 0.000 -0.527) 13.389 3.039 ( -3.473 0.000 9.937) 10.527 3.080 ( -3.487 0.000 6.123) 7.046 3.138 ( 1.642 0.000 -2.538) 3.023 3.254 ( -7.849 0.000 20.260) 21.728 3.357 ( -3.384 0.000 -0.536) 3.426 3.396 ( -1.755 0.000 15.669) 15.767 3.597 ( -1.175 0.000 6.417) 6.523 3.679 ( -7.742 0.000 6.114) 9.865 3.719 ( -2.604 0.000 -3.819) 4.622 3.741 ( 3.338 0.000 -1.383) 3.613 3.817 ( -4.527 0.000 4.788) 6.589 3.827 ( -2.570 0.000 0.555) 2.629 3.895 ( 4.212 0.000 -0.922) 4.312 3.944 ( -3.067 0.000 -2.569) 4.001 4.024 ( 1.807 0.000 10.583) 10.736 4.253 ( -15.082 0.000 4.336) 15.693 4.808 ( 7.193 0.000 9.996) 12.315 5.215 ( -7.468 0.000 -12.132) 14.246 5.459 ( -16.770 0.000 -1.617) 16.848 5.587 ( -1.331 0.000 1.122) 1.741 6.203 ( -0.931 0.000 -5.703) 5.778 6.345 ( 4.187 0.000 -2.798) 5.036 6.353 ( 12.180 0.000 -5.857) 13.515 6.723 ( 2.636 0.000 -9.228) 9.597 6.878 ( -0.068 0.000 -4.067) 4.067 7.194 ( 4.791 0.000 -7.621) 9.002 7.528 ( 2.039 0.000 5.182) 5.568 7.853 ( 2.409 0.000 -3.975) 4.648 7.926 ( -2.890 0.000 -2.715) 3.965 8.143 ( 0.064 0.000 1.310) 1.311 8.257 ( -6.813 0.000 -8.835) 11.156 8.408 ( 9.224 0.000 -6.619) 11.353 9.824 ( 1.472 0.000 1.637) 2.202 9.884 ( 1.333 0.000 0.805) 1.557 9.889 ( -1.669 0.000 4.118) 4.443 9.975 ( -4.327 0.000 1.021) 4.446 10.144 ( 0.553 0.000 -2.821) 2.875 10.158 ( 2.873 0.000 -3.682) 4.671 10.480 ( 0.148 0.000 -2.138) 2.143 10.487 ( -2.990 0.000 -1.334) 3.274 10.648 ( 0.855 0.000 2.676) 2.809 10.783 ( -0.411 0.000 -3.265) 3.291 10.953 ( -0.731 0.000 2.988) 3.076 11.008 ( -0.695 0.000 0.212) 0.726 11.330 ( -2.255 0.000 9.296) 9.566 11.495 ( 0.540 0.000 6.287) 6.310 11.723 ( 3.147 0.000 -3.362) 4.605 11.927 ( -0.248 0.000 -4.517) 4.524 12.651 ( 1.873 0.000 -5.810) 6.105 12.660 ( 1.343 0.000 -4.895) 5.076 12.719 ( 0.936 0.000 -6.483) 6.550 12.731 ( 0.910 0.000 -7.867) 7.919 13.104 ( -2.819 0.000 2.689) 3.896 13.214 ( 0.381 0.000 6.210) 6.221 13.253 ( 1.659 0.000 -1.582) 2.292 13.346 ( -0.065 0.000 1.653) 1.655 13.459 ( -1.230 0.000 1.930) 2.288 13.565 ( -0.598 0.000 -0.568) 0.824 13.617 ( -1.544 0.000 1.619) 2.237 13.652 ( 0.045 0.000 0.146) 0.153 13.787 ( 1.162 0.000 2.134) 2.430 13.839 ( 0.423 0.000 -1.623) 1.677 13.850 ( -0.283 0.000 -0.387) 0.479 13.890 ( 0.489 0.000 -0.381) 0.619 ======================= Grid point 92 (42/88) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 12.907 0.000 22.298) 25.764 1.473 ( 7.200 0.000 26.828) 27.778 2.343 ( 1.603 0.000 -15.115) 15.199 2.464 ( -16.300 0.000 1.586) 16.377 2.646 ( -1.509 0.000 28.171) 28.212 2.760 ( 1.767 0.000 19.409) 19.489 2.938 ( -9.698 0.000 4.599) 10.733 2.996 ( 1.132 0.000 -7.078) 7.168 3.071 ( 4.471 0.000 21.645) 22.102 3.116 ( -5.077 0.000 -2.739) 5.769 3.236 ( 0.352 0.000 6.965) 6.974 3.256 ( -1.388 0.000 14.974) 15.039 3.377 ( 9.590 0.000 0.262) 9.594 3.392 ( -3.136 0.000 11.646) 12.060 3.539 ( -6.614 0.000 6.490) 9.266 3.582 ( -3.161 0.000 2.415) 3.978 3.665 ( -0.710 0.000 4.251) 4.310 3.724 ( -7.322 0.000 4.850) 8.783 3.757 ( -0.480 0.000 1.948) 2.007 3.834 ( 2.510 0.000 7.942) 8.330 3.919 ( 0.140 0.000 0.472) 0.492 3.973 ( -2.672 0.000 0.291) 2.688 4.063 ( -0.430 0.000 1.726) 1.778 4.191 ( 11.183 0.000 5.242) 12.351 4.892 ( -6.797 0.000 3.562) 7.674 4.995 ( -24.416 0.000 8.811) 25.958 5.079 ( 0.996 0.000 -15.250) 15.282 5.648 ( 6.031 0.000 3.014) 6.742 6.128 ( -3.926 0.000 -5.697) 6.919 6.381 ( 0.681 0.000 -3.109) 3.183 6.580 ( 10.534 0.000 -9.099) 13.920 6.773 ( 5.599 0.000 -11.787) 13.049 6.887 ( 4.691 0.000 0.001) 4.691 7.245 ( 3.549 0.000 -7.491) 8.289 7.595 ( 1.924 0.000 3.149) 3.690 7.807 ( -3.487 0.000 -6.022) 6.959 7.928 ( 2.149 0.000 1.104) 2.416 8.084 ( -6.991 0.000 -7.923) 10.567 8.148 ( 0.256 0.000 -0.940) 0.974 8.533 ( 6.767 0.000 -7.685) 10.240 9.780 ( -4.410 0.000 3.955) 5.923 9.902 ( -2.894 0.000 1.998) 3.517 9.921 ( 1.497 0.000 -0.026) 1.497 9.948 ( 3.442 0.000 2.341) 4.163 10.129 ( -0.221 0.000 -4.293) 4.299 10.168 ( -0.372 0.000 -3.838) 3.855 10.474 ( 2.523 0.000 -0.424) 2.558 10.478 ( 0.197 0.000 -0.406) 0.451 10.677 ( 0.760 0.000 2.160) 2.289 10.784 ( 1.731 0.000 -2.368) 2.933 10.962 ( 0.253 0.000 3.642) 3.651 10.986 ( -1.569 0.000 0.384) 1.615 11.308 ( -3.542 0.000 6.467) 7.374 11.518 ( -1.256 0.000 7.273) 7.381 11.770 ( 2.896 0.000 -3.218) 4.330 11.893 ( -1.033 0.000 -5.307) 5.407 12.665 ( 1.322 0.000 -4.886) 5.062 12.666 ( 2.200 0.000 -5.802) 6.205 12.707 ( 0.793 0.000 -6.659) 6.706 12.708 ( 0.166 0.000 -7.399) 7.401 13.066 ( -2.112 0.000 2.794) 3.502 13.240 ( -0.307 0.000 5.791) 5.799 13.278 ( 1.299 0.000 -1.037) 1.662 13.342 ( -1.018 0.000 1.436) 1.760 13.461 ( 0.503 0.000 1.969) 2.032 13.561 ( 0.302 0.000 0.868) 0.919 13.599 ( -0.515 0.000 -0.097) 0.524 13.646 ( -0.798 0.000 0.924) 1.221 13.814 ( 0.520 0.000 2.034) 2.099 13.840 ( -0.473 0.000 -0.774) 0.907 13.842 ( 0.583 0.000 -1.651) 1.751 13.895 ( 0.121 0.000 -0.609) 0.621 ======================= Grid point 93 (43/88) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 14.431 0.000 16.094) 21.616 1.836 ( 19.483 0.000 18.970) 27.193 2.127 ( -20.057 0.000 2.240) 20.181 2.299 ( -2.612 0.000 -10.899) 11.208 2.413 ( -19.446 0.000 3.481) 19.755 2.813 ( -4.359 0.000 7.983) 9.096 2.882 ( -1.116 0.000 12.418) 12.468 2.887 ( -8.826 0.000 -4.156) 9.756 2.953 ( -8.744 0.000 1.415) 8.858 3.050 ( -14.341 0.000 -5.264) 15.277 3.271 ( 0.452 0.000 8.887) 8.898 3.341 ( 0.760 0.000 16.585) 16.602 3.470 ( 7.718 0.000 19.054) 20.557 3.476 ( 0.974 0.000 0.354) 1.037 3.516 ( -3.322 0.000 3.616) 4.910 3.597 ( -6.167 0.000 13.792) 15.108 3.635 ( 6.393 0.000 0.857) 6.451 3.695 ( -0.267 0.000 4.541) 4.549 3.786 ( 1.874 0.000 0.273) 1.894 3.931 ( -1.231 0.000 3.100) 3.335 3.933 ( -1.413 0.000 11.260) 11.349 3.998 ( 11.098 0.000 11.313) 15.848 4.086 ( 0.355 0.000 2.774) 2.797 4.411 ( -26.774 0.000 10.318) 28.694 4.470 ( 13.392 0.000 7.170) 15.191 4.880 ( -8.058 0.000 10.635) 13.343 5.148 ( 12.393 0.000 -16.876) 20.937 5.801 ( 8.391 0.000 -1.388) 8.505 6.024 ( -4.104 0.000 -4.007) 5.736 6.347 ( -2.856 0.000 -1.789) 3.370 6.667 ( 4.125 0.000 -9.176) 10.061 6.754 ( -0.422 0.000 -12.860) 12.867 7.085 ( 12.082 0.000 -1.723) 12.204 7.255 ( 0.109 0.000 -5.728) 5.729 7.589 ( -3.787 0.000 0.583) 3.832 7.724 ( -1.908 0.000 -6.224) 6.510 7.958 ( -2.357 0.000 -5.634) 6.107 7.980 ( 2.743 0.000 0.707) 2.833 8.144 ( -0.093 0.000 -1.772) 1.775 8.597 ( 3.532 0.000 -8.745) 9.431 9.718 ( -4.003 0.000 5.436) 6.751 9.863 ( -1.492 0.000 0.571) 1.598 9.960 ( 1.922 0.000 1.215) 2.274 10.001 ( 1.007 0.000 1.082) 1.478 10.114 ( 0.885 0.000 -4.792) 4.872 10.136 ( -0.414 0.000 -4.120) 4.141 10.479 ( -0.202 0.000 0.766) 0.792 10.549 ( 3.912 0.000 -0.305) 3.924 10.697 ( 0.921 0.000 2.939) 3.080 10.829 ( 3.551 0.000 -0.752) 3.630 10.954 ( -2.021 0.000 0.417) 2.064 10.988 ( 0.666 0.000 2.880) 2.956 11.254 ( -4.316 0.000 5.366) 6.886 11.508 ( -2.907 0.000 7.388) 7.940 11.787 ( -0.104 0.000 -4.466) 4.467 11.864 ( 1.171 0.000 -5.088) 5.221 12.668 ( 0.998 0.000 -5.761) 5.847 12.677 ( 1.189 0.000 -6.515) 6.623 12.685 ( 0.878 0.000 -5.848) 5.914 12.701 ( 1.764 0.000 -6.227) 6.472 13.050 ( -0.802 0.000 3.206) 3.304 13.252 ( -0.899 0.000 5.230) 5.307 13.281 ( -0.851 0.000 -0.825) 1.185 13.331 ( -0.388 0.000 1.286) 1.344 13.488 ( 1.415 0.000 1.656) 2.178 13.575 ( 0.172 0.000 1.933) 1.941 13.604 ( 1.410 0.000 -1.034) 1.749 13.630 ( -1.476 0.000 2.042) 2.520 13.811 ( -1.327 0.000 1.078) 1.710 13.837 ( 0.366 0.000 -0.448) 0.578 13.846 ( 0.496 0.000 -1.449) 1.532 13.890 ( -0.174 0.000 -1.274) 1.286 ======================= Grid point 94 (44/88) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -23.243 0.000 3.949) 23.576 1.896 ( -26.974 0.000 5.412) 27.512 2.068 ( 13.918 0.000 11.343) 17.955 2.316 ( 17.263 0.000 14.289) 22.409 2.337 ( 7.854 0.000 -8.661) 11.692 2.623 ( -11.481 0.000 -6.870) 13.379 2.722 ( -6.438 0.000 0.618) 6.467 2.737 ( -11.315 0.000 -10.584) 15.494 2.900 ( -4.948 0.000 18.634) 19.280 2.977 ( 4.461 0.000 9.752) 10.724 3.301 ( -14.575 0.000 12.188) 18.999 3.317 ( 0.434 0.000 8.589) 8.600 3.410 ( -4.915 0.000 16.110) 16.843 3.469 ( -0.910 0.000 -0.569) 1.073 3.560 ( -3.749 0.000 13.630) 14.136 3.565 ( -8.190 0.000 2.646) 8.607 3.734 ( 3.042 0.000 0.162) 3.047 3.781 ( 7.426 0.000 10.776) 13.087 3.827 ( 2.759 0.000 0.580) 2.819 3.890 ( -3.947 0.000 -1.009) 4.073 3.977 ( 1.350 0.000 12.305) 12.379 4.036 ( -5.115 0.000 2.839) 5.850 4.108 ( -1.283 0.000 8.962) 9.054 4.426 ( 13.210 0.000 14.186) 19.384 4.696 ( 5.869 0.000 6.102) 8.466 4.754 ( -6.587 0.000 16.863) 18.104 5.341 ( 13.370 0.000 -17.585) 22.090 5.902 ( 3.234 0.000 -4.005) 5.148 5.974 ( 0.595 0.000 -5.197) 5.231 6.281 ( -2.972 0.000 1.873) 3.513 6.641 ( -1.938 0.000 -14.936) 15.061 6.723 ( 2.497 0.000 -7.732) 8.125 7.203 ( -2.927 0.000 -3.759) 4.764 7.219 ( 0.492 0.000 -3.514) 3.549 7.501 ( -2.603 0.000 -0.778) 2.717 7.698 ( 2.158 0.000 -6.850) 7.182 7.957 ( 4.091 0.000 -3.735) 5.539 8.031 ( 2.596 0.000 -1.790) 3.153 8.130 ( -0.924 0.000 0.251) 0.957 8.594 ( 0.252 0.000 -9.534) 9.537 9.680 ( -2.273 0.000 5.816) 6.245 9.848 ( -0.334 0.000 0.170) 0.375 10.000 ( -0.761 0.000 -0.011) 0.761 10.003 ( 1.952 0.000 1.545) 2.489 10.121 ( 1.571 0.000 -4.380) 4.654 10.125 ( 0.556 0.000 -3.857) 3.897 10.480 ( -0.106 0.000 1.009) 1.015 10.575 ( -0.566 0.000 -0.690) 0.893 10.757 ( 2.423 0.000 4.509) 5.118 10.894 ( 2.505 0.000 0.912) 2.666 10.915 ( -1.370 0.000 -0.277) 1.398 10.993 ( -0.984 0.000 -1.491) 1.786 11.216 ( -1.850 0.000 8.566) 8.763 11.476 ( -3.308 0.000 6.741) 7.509 11.741 ( -1.573 0.000 -5.935) 6.139 11.888 ( 2.717 0.000 -4.108) 4.925 12.655 ( 0.676 0.000 -5.862) 5.901 12.664 ( 0.664 0.000 -6.789) 6.821 12.696 ( 2.340 0.000 -5.540) 6.014 12.715 ( 2.074 0.000 -6.069) 6.414 13.062 ( 0.398 0.000 3.811) 3.832 13.248 ( -1.723 0.000 4.796) 5.096 13.253 ( -1.223 0.000 -1.135) 1.669 13.333 ( -0.192 0.000 1.418) 1.431 13.523 ( 1.517 0.000 0.767) 1.699 13.584 ( 0.304 0.000 0.197) 0.362 13.607 ( -1.937 0.000 3.121) 3.673 13.632 ( 1.130 0.000 1.060) 1.549 13.787 ( -1.451 0.000 0.651) 1.590 13.842 ( 0.336 0.000 -0.389) 0.514 13.849 ( 0.262 0.000 -1.021) 1.054 13.879 ( -0.107 0.000 -1.952) 1.954 ======================= Grid point 95 (45/88) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -21.652 0.000 11.358) 24.451 1.461 ( -21.157 0.000 17.207) 27.270 2.335 ( 8.652 0.000 1.337) 8.755 2.389 ( 5.164 0.000 -4.534) 6.872 2.500 ( 3.391 0.000 -1.079) 3.559 2.554 ( -13.940 0.000 8.814) 16.493 2.596 ( 1.613 0.000 -5.204) 5.448 2.691 ( -1.644 0.000 20.218) 20.285 2.855 ( 2.763 0.000 13.869) 14.141 3.067 ( -10.112 0.000 19.395) 21.873 3.155 ( 8.935 0.000 6.298) 10.932 3.332 ( -3.485 0.000 9.784) 10.386 3.393 ( -6.050 0.000 15.402) 16.548 3.420 ( -4.523 0.000 -2.591) 5.212 3.504 ( 0.879 0.000 7.653) 7.703 3.571 ( 1.021 0.000 7.806) 7.873 3.770 ( 0.522 0.000 -1.122) 1.238 3.795 ( -4.302 0.000 1.859) 4.687 3.847 ( -2.471 0.000 2.604) 3.590 3.894 ( 1.720 0.000 7.532) 7.726 3.962 ( 0.528 0.000 -10.336) 10.349 4.087 ( -4.320 0.000 5.478) 6.976 4.190 ( 7.777 0.000 11.594) 13.961 4.407 ( -9.222 0.000 9.150) 12.991 4.711 ( -5.842 0.000 1.893) 6.141 5.047 ( 20.378 0.000 18.279) 27.374 5.447 ( 2.372 0.000 -6.040) 6.489 5.873 ( -4.337 0.000 -15.817) 16.400 6.015 ( 8.224 0.000 -3.421) 8.907 6.273 ( -0.220 0.000 5.025) 5.030 6.516 ( -4.581 0.000 -14.572) 15.275 6.740 ( 2.586 0.000 -9.017) 9.381 7.081 ( -10.195 0.000 -2.338) 10.459 7.142 ( -0.902 0.000 -4.531) 4.620 7.502 ( 0.846 0.000 -0.732) 1.119 7.738 ( 4.374 0.000 -5.842) 7.298 8.046 ( 0.430 0.000 -6.806) 6.820 8.069 ( 8.773 0.000 -3.721) 9.529 8.122 ( -0.781 0.000 5.183) 5.241 8.530 ( -2.637 0.000 -9.946) 10.290 9.687 ( 0.621 0.000 5.339) 5.375 9.849 ( 0.329 0.000 0.215) 0.393 9.983 ( -1.116 0.000 0.020) 1.116 10.042 ( 1.057 0.000 2.069) 2.323 10.115 ( 0.270 0.000 -4.004) 4.013 10.129 ( 1.066 0.000 -4.026) 4.165 10.483 ( 0.115 0.000 0.405) 0.421 10.556 ( -0.726 0.000 -0.023) 0.726 10.747 ( -4.747 0.000 2.423) 5.329 10.896 ( -2.657 0.000 -1.993) 3.322 10.944 ( 3.437 0.000 0.940) 3.563 10.963 ( -0.211 0.000 -0.800) 0.828 11.258 ( 0.950 0.000 11.719) 11.757 11.449 ( -1.959 0.000 5.489) 5.828 11.696 ( -0.308 0.000 -5.694) 5.703 11.921 ( 2.256 0.000 -3.849) 4.462 12.650 ( 1.222 0.000 -5.353) 5.491 12.650 ( 0.906 0.000 -6.499) 6.562 12.719 ( 2.607 0.000 -6.512) 7.014 12.725 ( 1.624 0.000 -6.208) 6.417 13.095 ( 1.131 0.000 4.419) 4.561 13.225 ( -2.717 0.000 4.388) 5.160 13.233 ( -0.170 0.000 -1.531) 1.540 13.334 ( -0.246 0.000 1.424) 1.445 13.529 ( -1.747 0.000 1.178) 2.107 13.587 ( 0.054 0.000 -0.508) 0.511 13.605 ( 0.934 0.000 2.241) 2.428 13.648 ( -0.311 0.000 2.130) 2.153 13.766 ( -1.003 0.000 1.033) 1.440 13.846 ( -0.020 0.000 -1.188) 1.188 13.848 ( 0.474 0.000 -0.522) 0.705 13.874 ( 0.430 0.000 -1.564) 1.622 ======================= Grid point 96 (46/88) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -11.135 0.000 23.021) 25.573 1.300 ( -7.805 0.000 34.679) 35.547 2.281 ( -18.639 0.000 34.955) 39.614 2.486 ( 3.356 0.000 3.998) 5.219 2.498 ( 11.779 0.000 3.819) 12.382 2.588 ( -4.532 0.000 1.476) 4.766 2.639 ( 9.839 0.000 -6.313) 11.690 2.767 ( 12.949 0.000 2.160) 13.128 3.039 ( -2.577 0.000 16.080) 16.285 3.058 ( 2.934 0.000 11.022) 11.406 3.230 ( -6.113 0.000 -4.369) 7.514 3.312 ( -1.869 0.000 11.348) 11.501 3.350 ( -5.602 0.000 19.641) 20.424 3.360 ( 2.413 0.000 2.861) 3.742 3.570 ( 1.098 0.000 8.337) 8.409 3.662 ( 5.582 0.000 0.401) 5.596 3.738 ( 0.731 0.000 0.261) 0.776 3.770 ( -2.843 0.000 4.286) 5.143 3.781 ( -4.062 0.000 0.879) 4.156 3.911 ( -1.429 0.000 -11.921) 12.007 3.957 ( 0.078 0.000 13.905) 13.905 3.994 ( -5.963 0.000 -1.324) 6.109 4.091 ( -12.292 0.000 4.536) 13.103 4.524 ( -13.665 0.000 2.525) 13.896 4.567 ( 12.049 0.000 13.115) 17.810 5.389 ( -6.458 0.000 -1.283) 6.584 5.462 ( 14.316 0.000 6.426) 15.692 5.694 ( -6.551 0.000 -11.886) 13.572 6.168 ( 8.276 0.000 -7.833) 11.395 6.289 ( 0.508 0.000 2.854) 2.899 6.345 ( -6.312 0.000 -10.906) 12.601 6.736 ( 1.257 0.000 -10.861) 10.934 6.920 ( -4.374 0.000 -1.703) 4.694 7.143 ( 3.213 0.000 -6.524) 7.273 7.501 ( -0.688 0.000 2.646) 2.734 7.801 ( 4.187 0.000 -4.048) 5.824 7.999 ( -2.175 0.000 -5.865) 6.256 8.134 ( -0.242 0.000 3.933) 3.940 8.238 ( 10.163 0.000 -4.594) 11.153 8.415 ( -4.886 0.000 -10.022) 11.150 9.746 ( 3.316 0.000 4.062) 5.243 9.861 ( 0.827 0.000 0.435) 0.934 9.945 ( -3.350 0.000 1.375) 3.621 10.041 ( -2.436 0.000 1.588) 2.908 10.119 ( 2.252 0.000 -4.069) 4.651 10.134 ( 1.252 0.000 -2.844) 3.107 10.485 ( 0.227 0.000 -1.367) 1.385 10.545 ( -1.189 0.000 -0.708) 1.384 10.658 ( -4.006 0.000 2.316) 4.627 10.826 ( -2.397 0.000 -4.103) 4.752 10.959 ( -0.803 0.000 2.014) 2.168 11.000 ( 1.558 0.000 0.719) 1.717 11.315 ( -0.699 0.000 11.887) 11.908 11.456 ( 0.526 0.000 4.920) 4.948 11.689 ( 1.832 0.000 -4.423) 4.788 11.937 ( 1.097 0.000 -3.975) 4.124 12.645 ( 1.351 0.000 -6.093) 6.241 12.654 ( 1.450 0.000 -5.057) 5.261 12.725 ( 1.208 0.000 -6.329) 6.444 12.735 ( 2.007 0.000 -7.492) 7.756 13.128 ( -0.255 0.000 3.840) 3.849 13.194 ( -1.758 0.000 5.096) 5.391 13.234 ( 0.981 0.000 -1.755) 2.011 13.338 ( 0.025 0.000 1.500) 1.500 13.489 ( -2.596 0.000 1.925) 3.232 13.580 ( -0.516 0.000 -0.763) 0.921 13.638 ( 1.333 0.000 0.485) 1.418 13.639 ( -1.456 0.000 2.300) 2.722 13.763 ( 0.190 0.000 1.874) 1.884 13.841 ( 0.117 0.000 -1.545) 1.550 13.853 ( 0.214 0.000 -0.491) 0.535 13.881 ( 0.665 0.000 -0.694) 0.961 ======================= Grid point 97 (47/88) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 3.207 23.242 21.803) 32.029 1.492 ( -3.465 14.468 29.282) 32.844 2.382 ( 1.341 8.768 17.072) 19.239 2.600 ( -2.043 10.231 15.178) 18.418 2.643 ( 0.890 1.601 11.196) 11.344 2.760 ( 2.554 1.784 -1.737) 3.567 2.874 ( 4.769 7.527 10.405) 13.700 2.990 ( 1.668 -1.403 1.695) 2.761 3.057 ( 5.067 -1.944 5.821) 7.958 3.108 ( 1.150 1.414 2.627) 3.198 3.170 ( -1.696 4.635 6.845) 8.439 3.303 ( -2.739 6.783 14.992) 16.682 3.395 ( -0.846 2.083 11.283) 11.505 3.454 ( -5.203 3.476 4.432) 7.668 3.580 ( 0.042 1.531 5.934) 6.129 3.675 ( -3.997 -1.600 1.992) 4.744 3.701 ( 0.927 -1.142 -0.544) 1.568 3.755 ( -0.136 -0.389 -1.050) 1.128 3.794 ( -6.527 3.549 4.625) 8.751 3.879 ( -5.518 3.478 4.692) 8.035 3.928 ( -4.793 0.720 -1.632) 5.115 4.004 ( 6.839 8.592 -1.663) 11.106 4.067 ( 1.740 4.714 8.719) 10.063 4.294 ( -13.943 3.665 3.212) 14.770 4.817 ( 6.679 0.916 10.042) 12.095 5.193 ( -4.589 -3.327 -4.064) 6.974 5.446 ( -12.394 -0.357 -4.426) 13.165 5.602 ( -4.070 1.669 -2.540) 5.080 6.194 ( 0.351 -1.096 -5.616) 5.732 6.323 ( 3.027 -1.553 -2.766) 4.384 6.403 ( 10.298 4.450 -6.809) 13.123 6.690 ( 2.366 -3.237 -9.647) 10.447 6.842 ( -0.213 -3.058 -2.200) 3.773 7.219 ( 3.879 1.862 -9.004) 9.979 7.488 ( 2.066 -4.015 4.966) 6.711 7.821 ( 1.424 -3.605 -5.296) 6.562 7.917 ( -1.895 -0.633 -1.618) 2.571 8.107 ( -0.321 -3.338 0.532) 3.396 8.257 ( -5.624 -0.187 -8.226) 9.966 8.390 ( 8.640 -1.729 -6.669) 11.050 9.790 ( 1.313 -3.265 2.102) 4.099 9.808 ( -0.017 -4.993 2.725) 5.688 9.904 ( -0.357 -0.732 2.291) 2.432 9.944 ( -3.681 -2.900 1.620) 4.958 10.156 ( 1.464 1.257 -2.910) 3.492 10.188 ( 1.507 3.197 -3.850) 5.226 10.459 ( 0.269 -1.786 -1.707) 2.485 10.503 ( -2.855 1.104 -2.244) 3.796 10.667 ( 0.741 1.742 2.552) 3.178 10.799 ( -0.473 1.471 -3.085) 3.450 10.933 ( -0.516 -2.031 2.389) 3.178 10.999 ( -0.654 -0.896 0.756) 1.342 11.329 ( -2.251 -0.102 9.287) 9.557 11.477 ( 0.365 -1.757 6.399) 6.646 11.732 ( 2.954 0.847 -3.379) 4.568 11.916 ( -0.128 -1.117 -4.548) 4.685 12.649 ( 1.639 -0.179 -5.603) 5.840 12.659 ( 1.614 -0.081 -5.116) 5.365 12.716 ( 0.973 -0.253 -6.501) 6.578 12.727 ( 0.918 -0.326 -7.739) 7.800 13.116 ( -2.626 1.131 2.684) 3.922 13.196 ( 0.800 -1.160 4.472) 4.689 13.269 ( 0.894 1.087 -0.010) 1.407 13.340 ( -0.604 -0.503 1.439) 1.640 13.474 ( -0.173 1.268 1.882) 2.276 13.545 ( -1.247 -2.013 0.046) 2.368 13.591 ( -1.147 -2.310 1.422) 2.945 13.636 ( 0.378 -1.475 -0.090) 1.526 13.780 ( 0.575 -1.024 1.352) 1.791 13.824 ( -0.252 -1.058 0.590) 1.238 13.852 ( 0.540 0.211 -1.776) 1.869 13.893 ( 0.461 0.255 -0.415) 0.671 ======================= Grid point 98 (48/88) ======================= q-point: ( 0.17 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 2.617 12.252 25.941) 28.808 1.699 ( 12.422 19.480 18.347) 29.502 2.427 ( 1.732 5.688 -11.061) 12.557 2.511 ( -12.784 4.302 1.177) 13.540 2.671 ( -8.343 2.278 19.727) 21.539 2.814 ( -0.782 4.465 18.453) 19.001 2.967 ( -0.974 1.237 2.347) 2.826 3.025 ( 2.400 2.272 -1.495) 3.627 3.081 ( -0.004 0.363 13.911) 13.915 3.153 ( -2.178 0.806 4.295) 4.882 3.224 ( 2.563 2.127 13.368) 13.777 3.286 ( -6.245 2.500 6.858) 9.606 3.412 ( 2.174 5.680 5.057) 7.910 3.473 ( 3.153 4.028 10.863) 12.007 3.578 ( -6.672 5.274 7.676) 11.457 3.591 ( -1.720 1.308 5.469) 5.880 3.670 ( -3.107 0.864 -1.998) 3.794 3.706 ( -1.762 -1.584 1.164) 2.640 3.762 ( -2.327 2.617 6.368) 7.267 3.849 ( -0.120 1.846 7.533) 7.757 3.887 ( 0.642 0.816 2.807) 2.993 4.045 ( -5.420 5.765 1.057) 7.983 4.124 ( 2.764 3.874 2.542) 5.395 4.248 ( 9.997 5.963 4.293) 12.407 4.894 ( -5.124 0.272 4.429) 6.778 5.043 ( -23.394 4.457 6.921) 24.800 5.125 ( 2.288 4.388 -13.920) 14.774 5.621 ( 5.717 -2.462 2.054) 6.555 6.121 ( -4.561 -0.702 -5.448) 7.140 6.355 ( 0.870 -2.469 -3.537) 4.400 6.583 ( 8.137 -0.007 -9.199) 12.281 6.728 ( 4.719 -4.560 -12.486) 14.105 6.876 ( 6.318 -0.737 1.428) 6.519 7.240 ( 1.997 -0.971 -7.769) 8.080 7.552 ( 1.613 -4.105 2.881) 5.268 7.770 ( -2.755 -3.537 -6.174) 7.630 7.926 ( 1.973 -0.215 1.047) 2.244 8.068 ( -3.327 -1.453 -5.828) 6.866 8.152 ( -1.665 0.384 -2.995) 3.448 8.509 ( 6.708 -2.430 -7.719) 10.512 9.757 ( -3.835 -2.280 3.821) 5.874 9.845 ( 0.974 -5.359 1.409) 5.626 9.875 ( -2.493 -2.507 2.466) 4.311 9.953 ( 2.568 -1.359 1.338) 3.199 10.157 ( 0.532 2.719 -4.253) 5.076 10.186 ( -0.353 1.956 -3.784) 4.274 10.465 ( 0.490 -1.305 -0.241) 1.415 10.481 ( 2.002 0.495 -1.438) 2.514 10.692 ( 0.608 1.431 2.031) 2.557 10.796 ( 1.433 1.160 -2.047) 2.755 10.941 ( -0.027 -1.895 3.058) 3.598 10.982 ( -1.013 -0.548 0.667) 1.331 11.307 ( -3.480 0.021 6.792) 7.632 11.498 ( -1.308 -1.931 7.377) 7.737 11.774 ( 2.668 0.397 -3.329) 4.285 11.884 ( -0.897 -0.830 -5.236) 5.376 12.658 ( 1.589 -0.368 -5.203) 5.452 12.672 ( 2.018 0.194 -5.511) 5.872 12.703 ( 0.427 -0.303 -6.993) 7.012 12.708 ( 0.607 -0.085 -6.987) 7.014 13.080 ( -2.053 1.370 2.716) 3.670 13.224 ( 0.006 -1.200 4.535) 4.691 13.286 ( 0.646 0.493 0.343) 0.882 13.332 ( -0.672 -0.711 1.191) 1.541 13.485 ( 0.131 1.730 1.681) 2.416 13.535 ( 0.151 -2.359 1.346) 2.720 13.578 ( -0.425 -2.074 0.090) 2.119 13.635 ( -0.393 -0.940 0.391) 1.091 13.796 ( 0.618 -2.415 0.079) 2.494 13.818 ( -0.803 -0.567 1.678) 1.945 13.856 ( 0.622 0.568 -1.967) 2.139 13.896 ( 0.117 0.231 -0.641) 0.692 ======================= Grid point 99 (49/88) ======================= q-point: ( 0.33 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 11.570 5.126 19.025) 22.849 2.030 ( 14.075 14.696 14.857) 25.195 2.209 ( -18.105 7.107 1.298) 19.493 2.407 ( -5.638 8.944 -5.851) 12.084 2.449 ( -11.040 3.372 3.455) 12.049 2.811 ( -6.469 1.574 15.004) 16.415 2.888 ( -10.489 -0.133 1.684) 10.624 2.940 ( -3.435 2.686 -9.026) 10.024 3.042 ( -6.127 5.385 9.804) 12.754 3.147 ( -5.756 8.659 0.080) 10.397 3.260 ( 1.731 -2.718 10.819) 11.289 3.348 ( -2.453 2.167 11.035) 11.511 3.464 ( 3.179 -1.095 10.141) 10.684 3.485 ( -2.931 5.323 0.095) 6.077 3.549 ( -0.641 3.678 9.798) 10.485 3.605 ( -2.968 1.942 6.882) 7.742 3.664 ( 4.479 0.958 5.947) 7.506 3.734 ( 2.909 -0.896 6.035) 6.759 3.761 ( -0.205 3.018 4.247) 5.214 3.879 ( -0.432 -1.014 4.694) 4.822 3.994 ( -0.201 5.770 4.116) 7.090 4.033 ( 10.232 3.859 11.327) 15.744 4.174 ( 1.147 5.812 3.575) 6.920 4.441 ( -13.804 2.886 9.899) 17.230 4.529 ( -1.367 6.114 6.963) 9.367 4.887 ( -8.312 0.900 10.742) 13.612 5.206 ( 11.944 5.666 -16.639) 21.252 5.781 ( 9.572 -2.649 -1.433) 10.035 6.000 ( -5.567 -2.011 -3.740) 7.002 6.324 ( -2.516 -2.234 -2.302) 4.077 6.641 ( 3.118 -2.718 -9.659) 10.508 6.711 ( 0.263 -4.402 -12.543) 13.296 7.061 ( 8.581 -2.602 -0.673) 8.992 7.246 ( 2.670 -0.481 -5.123) 5.797 7.531 ( -4.486 -5.363 0.136) 6.994 7.708 ( -0.830 -1.552 -6.447) 6.683 7.970 ( 1.634 -0.282 -2.181) 2.740 7.996 ( 0.100 3.022 -2.831) 4.142 8.131 ( -0.347 -1.293 -1.738) 2.194 8.574 ( 3.643 -2.385 -8.664) 9.696 9.702 ( -3.696 -1.611 5.144) 6.536 9.814 ( -2.189 -4.290 0.345) 4.828 9.905 ( 1.943 -4.192 3.205) 5.624 9.994 ( 1.323 -1.881 0.015) 2.300 10.143 ( -0.401 3.240 -5.145) 6.093 10.165 ( 0.826 2.459 -3.630) 4.461 10.470 ( -0.122 -0.963 0.938) 1.350 10.545 ( 3.931 -0.535 -1.012) 4.094 10.710 ( 0.793 1.169 2.472) 2.847 10.836 ( 3.004 0.588 -0.295) 3.075 10.934 ( -1.740 -1.745 1.010) 2.664 10.985 ( 0.546 -0.410 1.865) 1.987 11.259 ( -4.080 0.481 5.904) 7.193 11.488 ( -2.882 -1.937 7.485) 8.251 11.788 ( -0.079 0.114 -4.522) 4.524 11.857 ( 1.111 -0.658 -5.046) 5.209 12.664 ( 1.263 -0.284 -5.725) 5.869 12.678 ( 0.424 -0.072 -6.557) 6.571 12.684 ( 1.470 0.092 -5.844) 6.027 12.700 ( 1.745 -0.058 -6.259) 6.498 13.064 ( -0.832 1.362 3.090) 3.478 13.230 ( -1.259 -1.512 3.709) 4.198 13.292 ( -0.293 0.577 0.855) 1.072 13.329 ( -0.119 -0.114 1.269) 1.280 13.496 ( 0.618 0.233 1.259) 1.422 13.551 ( 0.364 -2.049 1.952) 2.853 13.579 ( 0.479 -2.139 0.055) 2.193 13.628 ( -0.520 -0.387 0.791) 1.023 13.796 ( -0.658 -2.093 -0.057) 2.195 13.814 ( -0.253 -1.154 1.416) 1.844 13.859 ( 0.485 0.857 -1.741) 2.000 13.892 ( -0.170 0.207 -1.333) 1.360 ======================= Grid point 100 (50/88) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -20.139 5.990 5.789) 21.794 2.047 ( -23.171 12.498 7.976) 27.509 2.138 ( 12.023 5.877 11.807) 17.847 2.366 ( 13.168 4.458 14.100) 19.801 2.460 ( 6.218 10.100 -7.529) 14.049 2.665 ( -8.707 3.173 -5.390) 10.720 2.743 ( -9.984 0.794 2.539) 10.333 2.785 ( -4.305 7.365 -1.077) 8.599 3.009 ( -4.640 8.446 8.781) 13.037 3.095 ( 1.536 8.731 8.891) 12.555 3.275 ( -5.996 -3.702 10.728) 12.835 3.359 ( -0.598 1.334 8.802) 8.922 3.424 ( -3.805 5.010 9.736) 11.591 3.465 ( -6.343 3.412 0.207) 7.205 3.566 ( -0.897 -1.046 11.398) 11.481 3.623 ( -2.375 5.230 5.763) 8.137 3.723 ( -6.053 -1.282 6.136) 8.714 3.753 ( 0.652 -1.483 2.928) 3.346 3.836 ( 7.125 0.256 7.302) 10.205 3.884 ( 0.072 1.883 3.306) 3.805 4.015 ( 0.187 4.761 2.186) 5.242 4.090 ( -5.267 4.216 4.699) 8.222 4.169 ( -2.003 5.845 9.110) 11.008 4.463 ( 12.636 4.088 12.925) 18.532 4.675 ( 0.982 -0.995 7.845) 7.969 4.785 ( -2.227 2.209 14.757) 15.087 5.371 ( 10.366 2.657 -16.791) 19.911 5.915 ( -0.585 -1.744 -0.160) 1.846 5.919 ( 5.227 -2.638 -9.338) 11.022 6.264 ( -2.494 -1.761 1.239) 3.295 6.605 ( -1.205 -3.706 -14.906) 15.407 6.690 ( 2.164 -3.270 -7.650) 8.596 7.118 ( -0.387 -5.493 -1.143) 5.624 7.284 ( -1.582 3.729 -5.123) 6.531 7.445 ( -1.192 -5.336 0.234) 5.473 7.685 ( 1.719 -1.283 -7.183) 7.497 7.985 ( 3.014 2.042 -3.893) 5.330 8.029 ( 2.153 0.380 -3.005) 3.716 8.121 ( -0.317 -1.002 1.108) 1.527 8.574 ( 0.305 -2.190 -9.404) 9.661 9.666 ( -2.136 -1.350 5.541) 6.090 9.784 ( -1.077 -5.217 0.421) 5.343 9.955 ( 1.816 -4.007 3.205) 5.443 10.005 ( -0.062 -1.512 -0.415) 1.569 10.119 ( 0.449 2.250 -4.899) 5.409 10.172 ( 1.188 3.191 -4.206) 5.412 10.470 ( -0.231 -0.935 1.171) 1.516 10.583 ( 0.551 0.496 -1.156) 1.374 10.760 ( 2.276 0.210 3.802) 4.436 10.878 ( -0.397 -1.803 0.484) 1.908 10.911 ( 0.755 -0.068 0.687) 1.023 10.989 ( -0.783 -0.360 -1.377) 1.624 11.225 ( -1.906 0.884 8.625) 8.877 11.458 ( -3.178 -1.756 6.871) 7.772 11.745 ( -1.360 0.425 -5.841) 6.013 11.879 ( 2.551 -0.962 -4.200) 5.008 12.654 ( 0.667 -0.088 -5.921) 5.959 12.663 ( 0.706 -0.091 -6.574) 6.613 12.695 ( 2.236 -0.054 -5.719) 6.141 12.714 ( 2.054 -0.127 -6.112) 6.449 13.074 ( 0.288 1.180 3.666) 3.862 13.212 ( -1.693 -1.722 2.323) 3.351 13.287 ( -0.766 1.566 1.433) 2.257 13.333 ( -0.162 -0.016 1.452) 1.461 13.518 ( 1.091 -0.744 0.746) 1.516 13.558 ( -0.195 -2.204 0.635) 2.302 13.587 ( -0.392 -2.057 2.568) 3.313 13.626 ( -0.045 -0.592 0.492) 0.771 13.781 ( -0.941 -0.720 0.961) 1.526 13.816 ( 0.092 -2.121 0.220) 2.134 13.859 ( 0.184 1.025 -1.126) 1.534 13.881 ( -0.049 0.130 -2.155) 2.159 ======================= Grid point 101 (51/88) ======================= q-point: (-0.33 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -15.475 13.629 16.698) 26.534 1.658 ( -20.057 17.268 12.058) 29.084 2.385 ( 7.896 3.916 5.104) 10.184 2.503 ( 3.126 6.520 -0.252) 7.235 2.542 ( -2.679 2.945 -3.320) 5.184 2.611 ( 0.635 8.837 3.202) 9.420 2.716 ( 6.445 1.767 15.478) 16.859 2.727 ( 0.392 10.932 -0.716) 10.962 2.923 ( -8.188 7.407 12.540) 16.709 3.093 ( -9.600 1.143 15.845) 18.562 3.244 ( 3.905 7.755 7.671) 11.586 3.336 ( -2.288 0.794 8.671) 9.003 3.399 ( -2.519 -0.686 7.321) 7.772 3.441 ( -4.294 6.970 6.836) 10.666 3.516 ( -2.992 -0.251 8.141) 8.677 3.628 ( 0.975 4.731 10.788) 11.820 3.687 ( -1.107 -6.200 2.516) 6.782 3.771 ( -0.586 -1.422 4.069) 4.350 3.881 ( -0.270 2.942 2.211) 3.690 3.950 ( 0.760 2.668 0.428) 2.807 3.999 ( -0.300 4.389 -7.107) 8.359 4.087 ( -2.830 2.335 4.694) 5.958 4.236 ( 4.430 4.262 10.361) 12.047 4.423 ( -8.629 2.316 9.378) 12.952 4.719 ( -4.377 0.508 1.777) 4.751 5.058 ( 18.626 0.962 16.143) 24.667 5.410 ( -0.718 -3.868 -4.415) 5.913 5.874 ( -3.692 -0.275 -15.798) 16.226 5.996 ( 9.005 -1.389 -4.231) 10.046 6.264 ( 0.491 -0.981 3.955) 4.105 6.505 ( -2.746 -1.220 -13.955) 14.275 6.704 ( 2.617 -3.484 -8.714) 9.742 7.057 ( -7.564 -2.278 -1.556) 8.052 7.171 ( -2.003 2.343 -4.807) 5.710 7.461 ( 0.432 -3.510 -0.110) 3.538 7.718 ( 4.348 -1.977 -6.277) 7.888 8.028 ( -0.072 -1.571 -6.745) 6.926 8.051 ( 3.963 -1.279 0.006) 4.165 8.144 ( 2.746 1.516 1.154) 3.342 8.510 ( -2.619 -2.046 -9.779) 10.328 9.673 ( 0.537 -1.463 5.151) 5.381 9.777 ( 0.049 -5.769 0.847) 5.831 9.987 ( -1.599 -1.802 -0.385) 2.440 9.995 ( 0.550 -3.575 3.243) 4.858 10.118 ( 1.334 1.582 -4.582) 5.028 10.173 ( 0.885 3.670 -4.105) 5.577 10.471 ( -0.173 -1.240 0.441) 1.328 10.578 ( -0.220 1.755 -0.710) 1.906 10.751 ( -4.410 0.348 1.933) 4.827 10.881 ( -0.220 -2.100 -0.234) 2.124 10.931 ( 0.641 -0.382 -0.901) 1.170 10.964 ( 0.196 -0.045 0.167) 0.262 11.261 ( 0.592 0.307 11.506) 11.525 11.434 ( -1.842 -1.432 5.667) 6.128 11.705 ( -0.140 0.857 -5.572) 5.640 11.908 ( 2.207 -1.241 -3.966) 4.705 12.647 ( 1.167 -0.151 -5.594) 5.717 12.651 ( 0.906 -0.017 -6.208) 6.274 12.715 ( 2.257 -0.357 -6.365) 6.763 12.724 ( 1.864 -0.111 -6.419) 6.686 13.103 ( 0.950 0.799 4.221) 4.400 13.191 ( -1.446 -1.482 2.074) 2.930 13.273 ( -1.136 2.134 0.876) 2.572 13.336 ( -0.143 0.135 1.439) 1.452 13.519 ( -1.674 -0.993 0.902) 2.145 13.567 ( 0.932 -2.185 0.579) 2.445 13.591 ( -0.009 -1.581 2.116) 2.641 13.624 ( -0.522 -1.758 0.747) 1.981 13.770 ( -0.667 0.146 1.522) 1.668 13.820 ( 0.276 -2.099 -0.058) 2.118 13.855 ( -0.035 0.619 -1.417) 1.546 13.877 ( 0.520 0.270 -1.648) 1.749 ======================= Grid point 102 (52/88) ======================= q-point: (-0.17 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -6.576 22.466 19.787) 30.651 1.465 ( -7.784 15.766 27.730) 32.835 2.395 ( -11.777 9.315 21.756) 26.435 2.517 ( 6.564 4.082 3.256) 8.387 2.609 ( 2.209 4.754 4.822) 7.123 2.674 ( -4.178 10.157 8.891) 14.130 2.740 ( 8.203 9.367 4.085) 13.104 2.834 ( 10.305 6.754 -1.303) 12.390 3.024 ( 4.401 -2.906 10.118) 11.410 3.043 ( -2.720 -1.113 8.640) 9.126 3.219 ( -4.697 2.493 3.166) 6.189 3.350 ( -6.538 2.130 14.367) 15.928 3.370 ( -3.552 3.566 10.452) 11.601 3.452 ( 4.488 5.731 8.445) 11.149 3.541 ( 0.052 0.100 6.972) 6.973 3.671 ( 0.361 -3.303 -1.930) 3.842 3.705 ( 0.575 -0.849 4.252) 4.374 3.772 ( -0.023 0.875 2.366) 2.523 3.864 ( -1.990 5.339 0.392) 5.712 3.935 ( -1.479 3.576 0.496) 3.901 3.980 ( -0.882 1.854 -0.956) 2.265 4.009 ( -4.767 4.686 3.157) 7.392 4.121 ( -11.264 3.487 4.064) 12.472 4.542 ( -8.773 1.694 3.957) 9.772 4.594 ( 7.495 2.643 10.928) 13.512 5.288 ( -3.985 -8.880 4.677) 10.798 5.483 ( 10.723 0.782 2.565) 11.054 5.704 ( -5.779 1.246 -13.233) 14.493 6.150 ( 7.714 -1.767 -7.598) 10.971 6.281 ( 0.630 -0.685 0.681) 1.154 6.388 ( -3.303 3.712 -9.566) 10.779 6.705 ( 1.513 -3.027 -10.721) 11.243 6.895 ( -5.826 -1.965 -0.761) 6.196 7.177 ( 3.667 2.830 -7.551) 8.859 7.458 ( -0.599 -4.143 2.916) 5.102 7.780 ( 4.217 -2.369 -4.814) 6.824 7.980 ( -2.179 -1.770 -5.157) 5.872 8.099 ( 0.410 -3.075 3.213) 4.467 8.247 ( 8.189 0.500 -4.571) 9.391 8.398 ( -4.710 -1.689 -9.700) 10.915 9.726 ( 2.746 -2.146 4.006) 5.310 9.791 ( 0.818 -5.563 1.486) 5.815 9.940 ( -3.073 -1.456 0.737) 3.480 9.995 ( -1.986 -3.809 2.315) 4.880 10.132 ( 2.069 1.404 -3.874) 4.611 10.176 ( 1.150 3.956 -3.276) 5.263 10.465 ( -0.155 -1.763 -1.260) 2.172 10.565 ( -1.459 1.560 -1.628) 2.686 10.672 ( -3.270 1.271 2.191) 4.137 10.836 ( -2.016 0.925 -3.322) 3.994 10.937 ( -0.330 -2.195 0.628) 2.307 10.991 ( 0.962 -0.731 1.926) 2.273 11.314 ( -0.700 -0.119 11.702) 11.723 11.442 ( 0.310 -1.417 5.064) 5.268 11.700 ( 1.824 1.055 -4.339) 4.824 11.925 ( 1.164 -1.280 -4.077) 4.429 12.645 ( 1.312 -0.021 -6.047) 6.188 12.652 ( 1.451 -0.231 -5.087) 5.295 12.721 ( 1.319 -0.347 -6.373) 6.517 12.733 ( 1.857 -0.277 -7.405) 7.639 13.136 ( 0.009 0.663 3.879) 3.935 13.175 ( -1.061 -1.112 3.208) 3.557 13.260 ( -0.094 1.824 -0.098) 1.829 13.340 ( -0.115 0.170 1.490) 1.504 13.486 ( -1.818 -0.289 1.566) 2.417 13.568 ( -0.847 -1.485 -0.092) 1.712 13.604 ( -0.670 -2.817 2.344) 3.725 13.621 ( 0.809 -1.630 -0.099) 1.822 13.769 ( -0.178 0.118 1.770) 1.783 13.824 ( 0.100 -1.526 0.042) 1.530 13.851 ( 0.347 0.120 -1.726) 1.765 13.884 ( 0.641 0.313 -0.728) 1.019 ======================= Grid point 103 (53/88) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -0.669 17.621 18.750) 25.739 1.851 ( -0.314 19.326 19.738) 27.626 2.501 ( -0.010 3.219 -0.136) 3.222 2.649 ( -1.956 -3.845 10.210) 11.084 2.787 ( -3.277 4.399 17.796) 18.622 2.814 ( 6.181 5.194 -1.786) 8.269 2.946 ( -2.761 -1.912 7.769) 8.464 3.035 ( -3.209 3.200 11.810) 12.650 3.038 ( 3.369 -0.164 -0.408) 3.398 3.095 ( 0.198 -1.858 4.744) 5.099 3.290 ( -2.039 9.896 14.645) 17.792 3.360 ( -2.130 -2.493 14.059) 14.437 3.445 ( 2.177 -0.990 3.404) 4.160 3.504 ( -4.396 7.355 6.935) 11.023 3.574 ( 0.333 -4.453 2.222) 4.988 3.692 ( -1.062 1.630 -0.788) 2.099 3.743 ( 1.427 6.845 8.685) 11.150 3.841 ( 4.058 8.746 -2.039) 9.855 3.905 ( -5.683 6.845 12.575) 15.403 3.954 ( -8.303 5.542 7.344) 12.393 4.055 ( -2.718 9.461 -1.796) 10.006 4.161 ( 0.256 9.255 0.593) 9.278 4.247 ( 1.286 11.007 2.073) 11.274 4.397 ( -8.430 7.691 1.065) 11.461 4.837 ( 4.850 0.288 9.448) 10.625 5.039 ( 0.592 -12.213 11.039) 16.474 5.488 ( -7.026 4.852 -9.408) 12.705 5.669 ( -2.842 5.571 -9.122) 11.060 6.143 ( 1.233 -4.289 -4.363) 6.241 6.288 ( 1.506 -2.169 -3.769) 4.601 6.501 ( 6.408 3.627 -9.344) 11.897 6.600 ( 1.570 -5.541 -11.086) 12.492 6.798 ( -0.483 0.578 2.141) 2.270 7.246 ( -1.064 0.094 -7.709) 7.782 7.382 ( 4.444 -5.664 2.758) 7.709 7.704 ( 0.265 -8.108 -6.058) 10.125 7.908 ( -0.433 -0.170 -0.962) 1.069 8.029 ( -0.072 -4.108 -0.210) 4.114 8.249 ( -3.160 -0.417 -7.981) 8.594 8.344 ( 6.703 -2.764 -7.057) 10.119 9.701 ( 1.399 -4.801 3.476) 6.090 9.713 ( -0.010 -4.500 3.097) 5.462 9.869 ( -1.464 -2.327 2.007) 3.404 9.883 ( -2.016 -2.793 1.937) 3.952 10.198 ( 1.699 3.041 -2.471) 4.271 10.275 ( 0.449 5.265 -4.266) 6.791 10.414 ( 0.582 -2.702 -1.566) 3.177 10.514 ( -2.525 -0.431 -3.653) 4.461 10.709 ( 0.570 2.373 2.420) 3.437 10.837 ( -0.553 2.331 -2.548) 3.498 10.878 ( -0.057 -3.313 2.129) 3.939 10.974 ( -0.710 -1.610 0.752) 1.913 11.330 ( -2.069 0.333 9.165) 9.401 11.432 ( -0.139 -2.564 6.894) 7.357 11.756 ( 2.425 1.556 -3.552) 4.574 11.884 ( 0.266 -2.054 -4.475) 4.931 12.645 ( 1.424 -0.180 -5.341) 5.530 12.656 ( 1.844 -0.279 -5.359) 5.674 12.711 ( 1.066 -0.211 -6.587) 6.676 12.719 ( 0.990 -0.442 -7.389) 7.469 13.143 ( -1.992 1.427 2.765) 3.694 13.179 ( 0.738 -0.567 3.627) 3.744 13.289 ( -0.056 0.883 0.600) 1.069 13.330 ( -1.087 -0.432 1.071) 1.586 13.484 ( 0.072 -1.586 1.419) 2.129 13.505 ( -0.502 -0.478 0.354) 0.779 13.535 ( -1.096 -3.227 1.408) 3.687 13.598 ( 1.115 -2.294 -0.505) 2.600 13.753 ( -0.613 -0.918 0.997) 1.487 13.806 ( -0.276 -0.879 2.290) 2.468 13.863 ( 0.758 0.877 -2.257) 2.537 13.899 ( 0.492 0.218 -0.730) 0.907 ======================= Grid point 104 (54/88) ======================= q-point: ( 0.17 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -2.617 16.247 20.677) 26.427 2.048 ( 9.400 14.005 17.603) 24.380 2.501 ( 0.184 2.688 -1.609) 3.138 2.568 ( -8.845 -0.641 0.367) 8.876 2.733 ( -9.126 4.138 10.594) 14.582 2.895 ( -1.519 2.516 12.820) 13.153 2.939 ( 0.728 -4.971 0.734) 5.077 3.035 ( -3.913 0.298 -0.024) 3.924 3.052 ( -1.905 -3.309 8.245) 9.086 3.101 ( 1.572 -5.067 5.934) 7.959 3.322 ( -6.562 2.498 8.928) 11.359 3.387 ( -1.553 -3.280 13.620) 14.095 3.450 ( 3.457 11.400 16.792) 20.588 3.541 ( 3.389 4.157 4.591) 7.060 3.629 ( 1.358 0.738 6.141) 6.332 3.673 ( 0.588 3.294 -4.103) 5.295 3.714 ( -8.444 2.093 -1.142) 8.774 3.823 ( -1.729 4.601 12.086) 13.047 3.866 ( -2.424 13.194 2.642) 13.673 3.965 ( -0.029 11.050 14.837) 18.500 3.995 ( -1.122 7.511 1.255) 7.697 4.177 ( -2.102 8.496 1.729) 8.922 4.220 ( 2.279 7.111 0.868) 7.518 4.415 ( 5.447 10.589 4.410) 12.698 4.898 ( -2.414 -0.580 5.894) 6.395 5.105 ( -5.305 -2.104 5.477) 7.910 5.251 ( -5.440 9.605 -6.758) 12.943 5.606 ( 1.848 3.536 -6.567) 7.684 6.089 ( -4.943 -3.235 -3.629) 6.933 6.293 ( 0.776 -3.599 -5.102) 6.292 6.562 ( 3.215 -2.576 -8.898) 9.805 6.599 ( 2.682 -7.953 -13.297) 15.724 6.879 ( 6.933 1.599 3.166) 7.787 7.192 ( -0.883 -4.015 -4.310) 5.956 7.457 ( 1.672 -4.303 -0.718) 4.672 7.675 ( 0.211 -5.983 -6.368) 8.740 7.921 ( 1.641 -0.089 0.564) 1.738 8.028 ( 0.792 -2.684 -2.751) 3.924 8.172 ( -1.806 2.004 -5.923) 6.508 8.438 ( 6.107 -4.615 -7.893) 10.995 9.699 ( -2.627 -3.205 3.782) 5.611 9.736 ( 0.389 -5.225 2.733) 5.909 9.824 ( -2.405 -2.091 2.229) 3.889 9.902 ( 1.596 -3.320 1.476) 3.969 10.217 ( 1.199 3.292 -2.322) 4.203 10.256 ( -0.258 4.827 -5.070) 7.005 10.428 ( 0.907 -2.457 -0.126) 2.622 10.481 ( 1.118 -0.798 -3.375) 3.644 10.729 ( 0.252 2.094 1.898) 2.838 10.824 ( 0.503 1.457 -1.002) 1.839 10.896 ( 0.401 -2.344 2.378) 3.363 10.962 ( -0.445 -1.500 0.262) 1.586 11.314 ( -3.189 0.742 7.430) 8.120 11.447 ( -1.562 -2.970 7.646) 8.350 11.785 ( 2.071 0.770 -3.635) 4.254 11.862 ( -0.435 -1.399 -4.984) 5.195 12.652 ( 1.581 -0.181 -5.216) 5.453 12.671 ( 1.997 -0.357 -5.565) 5.923 12.699 ( 0.595 -0.051 -6.896) 6.922 12.705 ( 0.845 -0.154 -6.882) 6.935 13.116 ( -1.820 2.066 2.624) 3.803 13.202 ( -0.078 -1.004 3.718) 3.852 13.292 ( -0.094 0.157 1.266) 1.280 13.322 ( -0.198 -0.380 1.096) 1.177 13.474 ( -0.720 -2.542 0.666) 2.725 13.511 ( -0.565 -1.157 1.543) 2.009 13.529 ( 0.622 -1.621 0.277) 1.758 13.611 ( 0.404 -1.637 -0.238) 1.703 13.748 ( -0.299 -1.497 0.818) 1.732 13.805 ( -0.817 -0.892 2.380) 2.670 13.870 ( 0.900 0.904 -2.269) 2.603 13.902 ( 0.224 0.263 -0.886) 0.951 ======================= Grid point 105 (55/88) ======================= q-point: ( 0.33 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 3.491 9.057 17.334) 19.867 2.278 ( 2.550 10.107 11.285) 15.362 2.337 ( -9.492 3.590 4.627) 11.153 2.520 ( -0.763 2.958 4.213) 5.204 2.585 ( -8.037 8.726 3.526) 12.376 2.831 ( -9.487 -2.636 20.383) 22.636 2.886 ( -6.387 0.720 -1.602) 6.624 2.974 ( -0.555 0.835 -7.336) 7.405 3.082 ( 0.809 -0.936 6.797) 6.908 3.157 ( 0.349 -5.663 9.998) 11.496 3.239 ( -5.687 2.200 11.150) 12.708 3.425 ( 1.025 -2.812 9.544) 10.002 3.479 ( -8.372 5.603 4.661) 11.100 3.582 ( 0.723 2.274 -1.826) 3.005 3.624 ( -5.052 2.678 2.540) 6.257 3.676 ( 3.125 1.028 2.540) 4.156 3.680 ( 2.542 1.129 10.168) 10.542 3.820 ( -2.371 14.077 6.219) 15.571 3.842 ( -2.026 2.612 7.675) 8.357 3.978 ( 2.215 9.497 -0.104) 9.753 4.165 ( 3.340 9.764 6.531) 12.213 4.187 ( 9.164 14.194 11.074) 20.201 4.284 ( 2.148 6.180 3.315) 7.335 4.523 ( -1.985 5.829 7.753) 9.901 4.719 ( -12.428 12.569 5.236) 18.435 4.912 ( -9.348 1.428 9.824) 13.636 5.348 ( 10.742 7.123 -13.134) 18.402 5.675 ( 6.021 -7.289 -4.382) 10.420 5.967 ( -4.888 -1.196 -1.785) 5.339 6.263 ( -1.705 -3.844 -4.412) 6.095 6.554 ( 0.556 -6.343 -12.893) 14.379 6.590 ( 2.250 -6.905 -9.463) 11.928 6.990 ( 2.061 -3.556 1.891) 4.524 7.226 ( 5.769 -3.360 -0.168) 6.679 7.429 ( -2.888 -2.387 -3.775) 5.319 7.662 ( 1.008 -3.115 -7.245) 7.950 7.958 ( 1.878 -0.627 -0.773) 2.126 8.052 ( 2.787 -0.576 -1.192) 3.085 8.122 ( -1.341 3.234 -5.171) 6.245 8.499 ( 3.721 -5.144 -8.528) 10.631 9.660 ( -3.069 -2.394 4.698) 6.101 9.718 ( -2.621 -4.889 1.466) 5.738 9.829 ( 1.264 -2.773 3.180) 4.405 9.932 ( 1.166 -3.940 -0.080) 4.110 10.215 ( -0.629 3.775 -2.513) 4.579 10.241 ( 1.535 5.124 -5.293) 7.525 10.440 ( 0.134 -2.121 0.974) 2.337 10.520 ( 3.660 -2.097 -2.664) 4.989 10.738 ( 0.311 1.566 1.732) 2.356 10.845 ( 0.873 -0.234 1.382) 1.652 10.900 ( -0.303 -1.015 0.430) 1.144 10.969 ( 0.748 -1.163 0.939) 1.672 11.277 ( -3.579 1.403 6.915) 7.911 11.436 ( -2.851 -3.103 7.694) 8.773 11.792 ( 0.053 0.322 -4.628) 4.639 11.840 ( 0.926 -1.030 -4.951) 5.141 12.659 ( 1.381 -0.196 -5.655) 5.824 12.672 ( 0.559 -0.421 -6.177) 6.216 12.689 ( 1.482 0.291 -6.276) 6.456 12.699 ( 1.669 -0.079 -6.357) 6.573 13.101 ( -0.903 2.171 2.880) 3.718 13.203 ( -1.345 -1.234 3.214) 3.696 13.299 ( 0.257 0.241 1.540) 1.580 13.326 ( -0.080 -0.330 1.552) 1.589 13.473 ( 0.269 -2.185 0.744) 2.324 13.506 ( -0.247 -2.775 0.911) 2.931 13.542 ( 0.262 -1.164 0.694) 1.380 13.612 ( -0.207 -1.447 -0.203) 1.476 13.749 ( 0.044 -1.541 1.017) 1.847 13.796 ( -1.156 -0.926 2.209) 2.660 13.877 ( 0.804 0.953 -2.217) 2.543 13.899 ( -0.116 0.434 -1.358) 1.430 ======================= Grid point 106 (56/88) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -11.169 9.132 8.154) 16.572 2.222 ( 1.940 5.339 14.566) 15.635 2.304 ( -15.593 8.196 13.194) 22.009 2.453 ( 4.805 4.282 10.069) 11.950 2.643 ( 6.609 7.111 -1.404) 9.809 2.748 ( -5.437 6.112 -4.959) 9.566 2.780 ( -3.914 1.869 7.745) 8.876 2.936 ( -1.965 3.996 4.278) 6.175 3.091 ( -1.674 -1.317 2.402) 3.210 3.131 ( -6.897 -3.280 6.195) 9.834 3.245 ( 1.960 0.710 17.628) 17.750 3.401 ( -3.151 2.876 8.428) 9.446 3.491 ( 1.398 1.813 7.387) 7.733 3.528 ( -4.068 -1.220 -0.302) 4.258 3.601 ( 0.498 -0.757 2.527) 2.684 3.682 ( -2.459 1.621 1.148) 3.161 3.719 ( -3.938 3.369 11.718) 12.812 3.814 ( -3.190 3.425 3.992) 6.152 3.901 ( 6.027 9.776 5.904) 12.913 4.001 ( -0.446 9.844 -0.615) 9.874 4.197 ( -4.779 13.368 7.310) 15.968 4.228 ( -6.108 10.913 5.344) 13.600 4.315 ( -0.157 9.182 4.699) 10.316 4.593 ( 12.356 6.980 10.943) 17.921 4.687 ( -6.294 4.274 4.337) 8.758 4.829 ( 1.474 2.558 14.652) 14.947 5.418 ( -0.073 0.858 -13.774) 13.801 5.749 ( 5.775 -10.624 -4.612) 12.942 5.955 ( 3.776 2.429 -5.305) 6.950 6.212 ( -1.375 -3.518 -1.341) 4.008 6.502 ( 0.518 -6.193 -14.476) 15.754 6.598 ( 2.240 -5.955 -7.805) 10.069 7.014 ( 0.377 -4.039 2.726) 4.887 7.294 ( -4.013 -7.884 1.208) 8.928 7.383 ( 3.558 4.707 -5.412) 8.006 7.650 ( 1.413 -2.237 -8.095) 8.516 7.986 ( 1.738 -1.103 -1.907) 2.806 8.061 ( -2.387 -1.185 -2.070) 3.374 8.119 ( 3.616 4.012 -2.567) 5.980 8.503 ( 0.509 -4.985 -9.132) 10.417 9.630 ( -2.046 -2.214 5.075) 5.903 9.676 ( -2.098 -5.098 1.686) 5.765 9.873 ( 1.625 -3.511 2.942) 4.860 9.945 ( 0.367 -3.885 -0.812) 3.986 10.192 ( -0.344 4.483 -3.081) 5.451 10.254 ( 1.737 4.952 -4.897) 7.178 10.442 ( -0.327 -1.927 1.126) 2.256 10.574 ( 2.693 -1.884 -2.508) 4.135 10.764 ( 1.383 0.236 2.554) 2.914 10.832 ( -2.539 -2.378 1.046) 3.633 10.918 ( 1.541 0.756 1.134) 2.057 10.979 ( -0.209 -0.719 -0.755) 1.063 11.251 ( -2.110 1.729 8.586) 9.009 11.411 ( -2.886 -2.876 7.220) 8.291 11.759 ( -0.741 0.956 -5.571) 5.700 11.852 ( 2.030 -1.639 -4.453) 5.161 12.652 ( 0.692 -0.071 -5.959) 5.999 12.659 ( 0.785 -0.258 -6.179) 6.234 12.696 ( 1.993 0.123 -6.116) 6.434 12.710 ( 1.993 -0.221 -6.227) 6.541 13.105 ( -0.082 1.839 3.359) 3.830 13.185 ( -1.529 -1.037 2.578) 3.172 13.311 ( 0.157 0.891 1.519) 1.768 13.331 ( -0.025 -0.226 1.546) 1.563 13.486 ( 0.681 -2.405 0.938) 2.669 13.507 ( -0.348 -2.700 0.637) 2.795 13.545 ( -0.225 -1.855 1.403) 2.337 13.602 ( -0.710 -1.937 -0.489) 2.120 13.759 ( 0.419 -1.054 1.577) 1.942 13.783 ( -1.015 -0.992 1.762) 2.262 13.881 ( 0.517 0.996 -1.724) 2.057 13.888 ( -0.223 0.572 -2.110) 2.197 ======================= Grid point 107 (57/88) ======================= q-point: (-0.33 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -8.304 16.359 15.987) 24.334 2.002 ( -16.010 16.210 13.793) 26.634 2.422 ( 6.302 -0.995 12.811) 14.312 2.572 ( 0.833 0.108 4.152) 4.236 2.654 ( -0.400 9.039 -5.395) 10.534 2.764 ( 2.264 4.573 6.776) 8.483 2.786 ( 7.678 6.977 2.947) 10.785 2.913 ( -2.896 2.159 6.988) 7.866 3.035 ( -5.999 0.018 10.715) 12.280 3.081 ( -1.646 0.241 -0.182) 1.674 3.374 ( 4.895 0.197 10.027) 11.159 3.399 ( -3.871 -0.837 18.579) 18.996 3.454 ( -4.735 5.131 2.760) 7.508 3.523 ( -9.628 10.048 9.206) 16.686 3.552 ( 2.264 2.961 5.463) 6.613 3.607 ( -4.456 -3.964 2.615) 6.512 3.740 ( 2.166 1.295 -0.100) 2.525 3.763 ( -3.456 7.180 10.880) 13.486 3.954 ( -2.480 6.795 8.644) 11.271 4.027 ( 2.554 6.223 -0.208) 6.730 4.108 ( -1.704 6.398 0.929) 6.686 4.261 ( -0.629 14.036 -0.594) 14.063 4.359 ( 1.655 8.355 8.876) 12.302 4.514 ( -7.717 6.158 7.937) 12.667 4.720 ( -2.006 -0.622 2.167) 3.018 5.065 ( 8.274 -2.342 9.045) 12.480 5.314 ( -0.687 -3.290 0.217) 3.368 5.834 ( 2.658 -4.428 -13.118) 14.098 5.997 ( 5.826 2.093 -7.578) 9.785 6.225 ( 1.811 -3.232 0.849) 3.801 6.466 ( 1.871 -2.650 -12.835) 13.239 6.611 ( 2.731 -5.670 -8.452) 10.538 7.007 ( -4.065 -1.911 1.518) 4.741 7.198 ( -2.010 -0.996 -1.723) 2.829 7.407 ( -0.747 -0.340 -2.580) 2.707 7.663 ( 3.366 -3.553 -7.594) 9.034 7.991 ( -0.890 -1.985 -5.074) 5.521 8.021 ( -0.453 -1.840 2.380) 3.043 8.179 ( 4.029 2.294 -3.466) 5.789 8.446 ( -2.176 -4.362 -9.375) 10.567 9.630 ( -0.100 -2.751 4.787) 5.523 9.660 ( -0.402 -5.407 2.401) 5.930 9.903 ( 0.201 -3.854 1.876) 4.291 9.939 ( -0.789 -3.344 0.341) 3.453 10.179 ( 0.403 4.203 -3.297) 5.358 10.264 ( 1.490 5.225 -4.518) 7.066 10.437 ( -0.559 -2.025 0.230) 2.113 10.598 ( 0.945 -0.562 -2.605) 2.828 10.756 ( -3.694 0.129 1.325) 3.927 10.820 ( 1.251 -3.177 1.652) 3.793 10.937 ( -0.823 0.675 -0.644) 1.244 10.962 ( -0.007 -0.124 0.154) 0.198 11.272 ( -0.177 0.909 10.744) 10.784 11.395 ( -1.607 -2.420 6.309) 6.946 11.730 ( 0.310 1.729 -5.265) 5.550 11.873 ( 1.968 -2.246 -4.238) 5.184 12.644 ( 1.077 -0.132 -5.545) 5.650 12.649 ( 0.884 -0.163 -6.102) 6.168 12.709 ( 1.970 -0.189 -6.372) 6.672 12.720 ( 1.853 -0.307 -6.578) 6.841 13.123 ( 0.339 1.080 3.697) 3.866 13.171 ( -1.001 -0.607 2.435) 2.702 13.311 ( -0.759 1.727 0.964) 2.118 13.339 ( 0.170 0.158 1.416) 1.435 13.491 ( -1.334 -1.819 0.645) 2.346 13.508 ( 1.052 -3.141 1.105) 3.492 13.548 ( -0.310 -2.489 1.780) 3.076 13.584 ( -0.691 -2.349 -0.709) 2.549 13.769 ( -0.676 -0.183 2.064) 2.180 13.780 ( 0.499 -1.461 1.334) 2.041 13.872 ( -0.265 0.961 -2.069) 2.297 13.886 ( 0.580 0.576 -1.634) 1.827 ======================= Grid point 108 (58/88) ======================= q-point: (-0.17 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -2.975 18.055 17.463) 25.294 1.845 ( -6.832 20.613 18.817) 28.734 2.521 ( -2.333 3.853 0.985) 4.610 2.576 ( 3.261 -2.823 12.026) 12.776 2.702 ( 5.487 7.418 -2.685) 9.609 2.813 ( -6.164 1.526 17.442) 18.562 2.913 ( 2.193 1.677 9.622) 10.010 2.974 ( 5.078 1.563 8.310) 9.863 3.008 ( 2.651 6.426 0.644) 6.981 3.052 ( -1.576 1.446 2.488) 3.281 3.331 ( -6.401 8.592 7.963) 13.349 3.362 ( -6.545 2.301 16.011) 17.450 3.459 ( -3.305 -1.335 8.768) 9.465 3.510 ( 0.604 -0.847 8.213) 8.279 3.543 ( 0.735 -0.386 0.798) 1.151 3.643 ( 3.521 7.445 7.250) 10.972 3.734 ( -1.701 1.955 2.798) 3.814 3.794 ( 1.602 2.601 -0.195) 3.061 3.935 ( -3.994 5.292 12.010) 13.719 4.065 ( 0.782 6.627 -1.898) 6.938 4.075 ( -2.263 7.334 1.100) 7.753 4.224 ( -1.390 14.406 0.994) 14.507 4.246 ( -9.403 10.143 2.222) 14.009 4.585 ( -6.613 2.393 1.615) 7.215 4.660 ( 5.862 3.453 10.349) 12.385 5.049 ( -6.024 -15.233 10.650) 19.539 5.498 ( 9.894 1.702 -0.559) 10.055 5.747 ( -2.463 2.826 -14.727) 15.197 6.103 ( 5.709 -2.640 -6.204) 8.835 6.257 ( 2.188 -2.059 -1.710) 3.457 6.460 ( 2.445 2.497 -10.021) 10.613 6.620 ( 1.870 -5.370 -10.247) 11.720 6.873 ( -7.626 0.950 0.953) 7.744 7.234 ( 4.995 1.892 -4.802) 7.183 7.355 ( -2.865 -4.940 0.431) 5.727 7.698 ( 2.918 -6.052 -6.453) 9.316 7.943 ( -1.879 -1.585 -3.094) 3.952 8.029 ( -0.249 -3.710 2.080) 4.261 8.251 ( 5.674 -0.004 -5.883) 8.173 8.351 ( -3.496 -2.863 -8.930) 10.008 9.661 ( 1.177 -4.159 3.846) 5.785 9.681 ( 1.246 -4.916 3.243) 6.020 9.890 ( -1.715 -2.788 0.920) 3.400 9.921 ( -1.890 -3.385 2.074) 4.397 10.181 ( 1.230 3.509 -3.129) 4.860 10.274 ( 1.301 5.497 -3.817) 6.818 10.422 ( -0.584 -2.438 -1.360) 2.852 10.580 ( -1.890 -0.733 -3.489) 4.035 10.704 ( -1.638 1.920 2.175) 3.331 10.842 ( 0.405 -1.626 0.619) 1.786 10.898 ( -1.664 -0.223 -2.139) 2.719 10.975 ( 0.074 -0.941 1.943) 2.160 11.314 ( -0.704 0.253 10.996) 11.021 11.405 ( -0.095 -2.224 5.839) 6.249 11.730 ( 1.745 1.995 -4.250) 5.009 11.888 ( 1.290 -2.401 -4.207) 5.013 12.644 ( 1.156 -0.147 -5.716) 5.834 12.646 ( 1.499 -0.250 -5.333) 5.545 12.714 ( 1.433 -0.276 -6.462) 6.625 12.725 ( 1.629 -0.465 -7.189) 7.386 13.147 ( 0.573 0.350 3.704) 3.764 13.163 ( -1.094 0.022 2.692) 2.906 13.296 ( -0.882 1.736 0.350) 1.979 13.343 ( -0.534 0.131 1.339) 1.448 13.475 ( -0.378 -0.941 0.983) 1.412 13.521 ( -0.544 -2.715 0.781) 2.877 13.546 ( -0.708 -2.991 1.921) 3.625 13.579 ( 0.754 -2.476 -0.808) 2.711 13.762 ( -0.774 -0.475 1.364) 1.639 13.797 ( 0.308 -1.000 2.011) 2.267 13.862 ( 0.265 0.935 -2.277) 2.476 13.892 ( 0.575 0.348 -1.004) 1.208 ======================= Grid point 109 (59/88) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 0.026 11.743 13.880) 18.181 2.182 ( -2.980 9.054 13.187) 16.271 2.531 ( -0.158 -1.169 10.374) 10.441 2.563 ( -1.365 -0.406 6.224) 6.385 2.821 ( -2.507 0.755 9.144) 9.512 2.893 ( -1.917 -0.058 4.362) 4.765 2.907 ( -1.553 -3.749 -0.790) 4.134 2.951 ( -1.380 -6.169 4.512) 7.767 2.982 ( 1.169 1.706 5.449) 5.829 3.071 ( -1.187 -3.229 0.663) 3.503 3.327 ( -4.614 1.494 18.900) 19.512 3.379 ( -1.655 -3.471 12.643) 13.214 3.458 ( 0.567 3.184 4.603) 5.626 3.518 ( 2.681 -2.685 3.655) 5.268 3.668 ( -1.967 6.220 4.712) 8.047 3.726 ( -0.040 -0.413 4.486) 4.506 3.874 ( -0.121 7.005 3.271) 7.732 3.936 ( -1.633 0.575 2.003) 2.647 4.075 ( -2.794 7.617 4.994) 9.527 4.139 ( -4.152 0.634 3.443) 5.431 4.169 ( -3.248 15.897 12.677) 20.590 4.377 ( -4.267 0.710 0.100) 4.327 4.402 ( -1.147 11.027 1.608) 11.202 4.593 ( 3.416 5.695 3.277) 7.406 4.709 ( -0.413 -10.612 15.704) 18.958 4.826 ( 2.901 -6.968 10.477) 12.912 5.639 ( -0.295 10.105 -9.054) 13.571 5.780 ( 2.660 0.873 -13.647) 13.931 6.066 ( -1.625 0.660 -2.352) 2.934 6.201 ( 0.689 -7.632 -5.706) 9.554 6.496 ( 1.545 -1.615 -9.850) 10.100 6.514 ( 1.881 -2.703 -10.269) 10.784 6.920 ( -0.758 10.451 2.744) 10.832 7.138 ( -3.446 -10.177 1.610) 10.864 7.375 ( 4.076 4.910 -6.067) 8.805 7.523 ( 0.879 -9.273 -6.149) 11.161 7.916 ( 0.205 1.138 -0.871) 1.448 7.957 ( 0.301 -2.974 -0.656) 3.060 8.252 ( 0.252 0.990 -7.996) 8.061 8.289 ( 3.741 -2.571 -7.681) 8.922 9.633 ( 1.041 -1.683 4.073) 4.528 9.641 ( 0.567 -2.362 3.948) 4.636 9.834 ( -1.873 -0.828 1.800) 2.727 9.840 ( -1.392 -1.386 1.732) 2.618 10.271 ( 1.328 4.053 -1.873) 4.658 10.347 ( 1.278 -3.166 -1.586) 3.764 10.387 ( -0.812 4.889 -4.645) 6.793 10.476 ( -1.608 -3.414 -4.645) 5.985 10.758 ( 0.467 2.533 2.511) 3.597 10.812 ( 0.463 -3.079 2.593) 4.052 10.887 ( -0.877 2.575 -1.788) 3.255 10.935 ( -0.827 -2.247 -0.441) 2.435 11.346 ( -1.567 1.326 8.705) 8.944 11.382 ( -0.849 -2.315 7.814) 8.194 11.793 ( 1.691 2.170 -3.889) 4.763 11.839 ( 0.916 -2.423 -4.235) 4.964 12.644 ( 1.488 0.098 -5.275) 5.482 12.649 ( 1.708 -0.365 -5.348) 5.626 12.709 ( 1.153 0.034 -6.772) 6.869 12.712 ( 1.114 -0.281 -7.034) 7.127 13.165 ( -0.869 0.710 2.983) 3.187 13.172 ( 0.168 -0.191 3.230) 3.240 13.306 ( -1.015 0.913 0.786) 1.576 13.321 ( -1.280 -0.551 0.884) 1.650 13.453 ( -0.941 -0.524 1.280) 1.673 13.473 ( -0.850 -2.425 1.253) 2.859 13.513 ( 1.021 0.984 -0.277) 1.445 13.549 ( 1.358 -2.447 -0.667) 2.877 13.758 ( -0.815 1.154 1.961) 2.417 13.785 ( -0.507 -1.323 2.448) 2.829 13.883 ( 0.675 0.994 -1.942) 2.283 13.897 ( 0.574 -0.401 -1.330) 1.503 ======================= Grid point 110 (60/88) ======================= q-point: ( 0.17 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -3.762 11.974 13.681) 18.566 2.237 ( 2.181 3.065 15.295) 15.751 2.529 ( -4.950 0.024 7.111) 8.664 2.550 ( -1.116 1.229 3.271) 3.668 2.805 ( -3.056 -0.060 6.383) 7.077 2.827 ( -2.248 -4.024 -2.005) 5.027 2.871 ( -7.612 -1.163 15.491) 17.299 2.959 ( -0.652 -6.155 6.245) 8.792 3.025 ( 2.433 1.315 3.376) 4.364 3.059 ( -0.290 -0.914 -0.316) 1.010 3.312 ( -4.481 -0.082 17.583) 18.145 3.340 ( -5.640 -1.727 15.111) 16.221 3.566 ( 5.832 1.778 3.076) 6.829 3.601 ( 3.727 -1.610 -0.201) 4.065 3.668 ( -0.276 5.458 6.027) 8.136 3.729 ( -4.413 -0.860 0.163) 4.499 3.798 ( -7.430 4.998 4.698) 10.112 3.850 ( -6.502 -0.500 10.805) 12.620 4.064 ( 0.473 4.624 -0.401) 4.665 4.083 ( -1.391 1.969 0.892) 2.571 4.221 ( 1.505 11.766 13.113) 17.683 4.322 ( -1.386 1.619 1.274) 2.483 4.461 ( 5.221 18.132 5.319) 19.605 4.665 ( 1.226 13.836 6.946) 15.530 4.807 ( 2.843 -11.513 7.688) 14.133 4.920 ( 3.504 -12.920 10.131) 16.788 5.519 ( -7.998 15.888 -6.142) 18.818 5.729 ( -1.843 1.141 -14.260) 14.423 6.013 ( -2.759 0.814 -1.696) 3.340 6.183 ( 0.659 -9.242 -7.937) 12.201 6.468 ( 0.558 -2.596 -10.483) 10.814 6.495 ( 0.493 -3.690 -9.457) 10.164 6.948 ( 1.269 5.333 3.349) 6.423 7.078 ( -2.110 -7.097 1.948) 7.656 7.436 ( 3.936 2.776 -6.019) 7.709 7.543 ( 3.741 -6.901 -6.635) 10.278 7.930 ( 1.382 1.178 -0.170) 1.824 7.970 ( 1.454 -2.757 -1.067) 3.295 8.236 ( 1.422 4.375 -7.502) 8.800 8.336 ( 4.388 -5.416 -8.005) 10.615 9.649 ( -1.508 -1.384 3.896) 4.401 9.657 ( -0.506 -2.348 3.593) 4.322 9.806 ( -1.252 0.417 1.864) 2.284 9.839 ( 0.262 -2.688 1.608) 3.143 10.291 ( 1.138 4.003 -1.140) 4.315 10.356 ( -0.131 4.015 -4.780) 6.244 10.369 ( 1.305 -2.573 -0.900) 3.022 10.442 ( 0.462 -3.253 -4.797) 5.815 10.773 ( -0.145 2.344 2.155) 3.188 10.820 ( -0.619 -2.157 2.309) 3.220 10.886 ( 1.103 1.601 -0.627) 2.043 10.925 ( 0.205 -2.065 -0.413) 2.116 11.340 ( -2.649 1.915 7.884) 8.534 11.388 ( -2.046 -2.873 7.910) 8.661 11.805 ( 1.238 1.215 -4.083) 4.436 11.832 ( 0.333 -1.512 -4.570) 4.825 12.652 ( 1.638 0.219 -5.312) 5.563 12.660 ( 1.755 -0.551 -5.485) 5.785 12.700 ( 0.953 0.117 -6.817) 6.884 12.702 ( 1.004 -0.130 -6.833) 6.908 13.155 ( -1.284 1.777 2.760) 3.525 13.183 ( -0.553 -1.070 3.167) 3.389 13.298 ( -0.342 0.552 1.517) 1.650 13.312 ( -0.300 -0.681 1.442) 1.623 13.440 ( -0.603 -0.471 0.724) 1.054 13.460 ( -0.821 -2.324 0.777) 2.584 13.531 ( 0.691 0.960 -0.234) 1.206 13.567 ( 0.700 -2.484 -0.612) 2.652 13.751 ( -0.720 1.353 2.082) 2.585 13.782 ( -0.831 -1.484 2.428) 2.965 13.889 ( 0.784 0.933 -1.970) 2.316 13.902 ( 0.501 -0.335 -1.414) 1.537 ======================= Grid point 111 (61/88) ======================= q-point: ( 0.33 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -2.196 10.335 14.068) 17.594 2.303 ( -3.504 -6.654 11.111) 13.416 2.454 ( -4.254 7.524 9.859) 13.112 2.545 ( -1.537 -0.948 4.964) 5.282 2.765 ( -1.811 0.460 3.541) 4.004 2.770 ( -8.200 7.799 17.579) 20.906 2.819 ( -0.003 -5.403 1.278) 5.552 2.959 ( -2.347 -7.817 7.206) 10.888 3.053 ( -0.128 3.136 -0.865) 3.255 3.105 ( 3.160 -0.592 4.477) 5.512 3.288 ( -4.537 1.831 14.264) 15.080 3.343 ( -0.336 -4.142 13.375) 14.006 3.534 ( -11.206 2.938 5.065) 12.644 3.608 ( -8.680 -3.168 1.332) 9.335 3.642 ( 0.258 2.322 -0.233) 2.348 3.670 ( 3.154 -0.500 -0.623) 3.253 3.766 ( 0.343 4.144 9.992) 10.823 3.822 ( -1.802 -1.673 9.029) 9.358 4.075 ( 0.080 6.635 1.631) 6.833 4.100 ( 2.122 2.996 -0.487) 3.703 4.319 ( 2.451 4.229 5.534) 7.383 4.332 ( 2.986 2.197 7.219) 8.115 4.615 ( 6.226 18.875 6.909) 21.042 4.708 ( 0.310 14.533 5.975) 15.716 4.826 ( -2.858 -4.430 8.335) 9.863 4.977 ( -4.530 -2.040 3.388) 6.014 5.403 ( 1.695 4.265 -1.192) 4.742 5.579 ( -8.258 -5.769 -11.009) 14.922 5.982 ( 1.268 5.495 -3.920) 6.868 6.156 ( 0.064 -8.204 -8.489) 11.805 6.433 ( 0.740 -2.870 -11.655) 12.026 6.469 ( 1.253 -5.026 -9.026) 10.407 6.973 ( 0.141 2.727 4.167) 4.982 7.091 ( 1.198 -8.165 4.267) 9.291 7.475 ( 3.277 5.206 -7.418) 9.637 7.582 ( 3.097 -5.003 -7.795) 9.766 7.957 ( 1.298 0.849 -0.210) 1.565 7.998 ( 1.320 -3.070 -0.018) 3.341 8.238 ( 1.872 6.963 -7.468) 10.381 8.378 ( 3.263 -6.904 -8.276) 11.260 9.623 ( -2.712 -0.849 4.257) 5.119 9.640 ( -2.594 -2.618 3.242) 4.908 9.810 ( 0.718 0.870 1.731) 2.067 9.855 ( 0.850 -3.442 0.562) 3.589 10.296 ( -0.076 4.179 -1.267) 4.368 10.341 ( 0.762 3.351 -4.668) 5.796 10.392 ( 1.239 -1.348 -0.182) 1.840 10.458 ( 2.887 -4.174 -3.965) 6.440 10.772 ( -0.480 1.908 1.598) 2.534 10.814 ( -1.046 -2.242 2.026) 3.198 10.910 ( 1.435 1.454 0.131) 2.047 10.941 ( 1.162 -1.586 0.502) 2.029 11.315 ( -3.140 2.482 7.613) 8.601 11.372 ( -2.906 -3.211 7.818) 8.937 11.802 ( 0.315 0.686 -4.733) 4.793 11.819 ( 0.638 -1.006 -4.841) 4.986 12.658 ( 1.275 0.122 -5.705) 5.847 12.664 ( 0.986 -0.398 -5.893) 5.988 12.694 ( 1.455 0.203 -6.476) 6.640 12.697 ( 1.559 -0.105 -6.468) 6.654 13.144 ( -1.001 2.084 2.833) 3.657 13.178 ( -1.176 -1.361 2.993) 3.492 13.305 ( 0.268 0.407 1.811) 1.876 13.315 ( -0.101 -0.628 1.866) 1.972 13.440 ( 0.207 -0.697 0.661) 0.983 13.454 ( -0.082 -2.002 0.682) 2.117 13.535 ( -0.114 0.659 -0.207) 0.700 13.569 ( -0.205 -2.461 -0.652) 2.554 13.749 ( -0.411 1.087 2.211) 2.498 13.774 ( -0.962 -1.255 2.392) 2.868 13.895 ( 0.651 0.754 -2.109) 2.332 13.903 ( 0.262 -0.082 -1.696) 1.718 ======================= Grid point 112 (62/88) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -4.339 9.158 10.778) 14.794 2.262 ( -2.446 -3.043 13.666) 14.212 2.416 ( -7.497 6.035 15.379) 18.142 2.516 ( -2.193 -1.065 5.127) 5.677 2.764 ( -0.650 3.010 18.521) 18.775 2.789 ( 3.267 5.034 -2.477) 6.492 2.827 ( -0.087 -2.289 4.298) 4.870 2.934 ( -2.892 -4.048 6.218) 7.963 3.042 ( -1.284 2.593 0.793) 3.001 3.113 ( -3.370 -0.060 -1.385) 3.644 3.303 ( -0.524 4.276 15.892) 16.466 3.385 ( -3.860 -4.948 7.103) 9.478 3.428 ( -1.198 -3.127 10.380) 10.907 3.453 ( -5.652 -4.981 7.237) 10.447 3.638 ( -0.026 4.549 -0.159) 4.552 3.701 ( 0.441 -1.543 1.338) 2.090 3.800 ( -1.813 3.615 7.393) 8.427 3.837 ( -0.132 -0.101 5.785) 5.788 4.093 ( 1.490 6.336 1.662) 6.718 4.130 ( 1.433 2.411 -1.237) 3.066 4.393 ( 2.479 6.297 9.355) 11.546 4.437 ( 2.555 3.970 6.162) 7.762 4.613 ( -8.439 13.675 4.283) 16.630 4.713 ( -1.855 13.327 2.559) 13.696 4.763 ( -9.696 -1.904 8.314) 12.913 4.937 ( 2.263 2.734 4.690) 5.882 5.379 ( -6.051 -0.474 -4.764) 7.716 5.537 ( 10.046 -10.819 -3.943) 15.281 6.019 ( 4.294 4.494 -6.595) 9.062 6.125 ( 0.592 -5.258 -6.277) 8.210 6.409 ( 2.256 -1.318 -12.111) 12.390 6.470 ( 2.719 -6.148 -9.208) 11.401 7.000 ( 0.510 3.124 5.136) 6.033 7.122 ( -0.320 -8.337 4.197) 9.340 7.495 ( 1.894 5.796 -7.854) 9.943 7.592 ( 1.675 -3.828 -8.789) 9.732 7.973 ( 0.364 0.210 -0.372) 0.561 8.005 ( -0.964 -2.899 1.000) 3.214 8.241 ( 1.765 7.087 -7.402) 10.399 8.382 ( 0.936 -6.921 -8.670) 11.133 9.592 ( -2.261 -1.146 4.554) 5.212 9.601 ( -2.559 -2.228 3.396) 4.801 9.838 ( 1.216 0.128 1.425) 1.878 9.872 ( 0.729 -3.072 -0.086) 3.159 10.283 ( -0.404 4.457 -1.794) 4.821 10.339 ( 0.632 1.089 -3.590) 3.804 10.414 ( 1.319 1.498 -0.925) 2.200 10.504 ( 3.170 -4.972 -3.449) 6.832 10.773 ( -0.231 0.688 1.830) 1.969 10.794 ( -1.857 -1.484 1.517) 2.820 10.938 ( 1.094 1.191 0.901) 1.851 10.961 ( 0.478 -1.064 0.166) 1.178 11.293 ( -2.366 2.572 8.240) 8.950 11.350 ( -2.605 -3.096 7.715) 8.711 11.784 ( 0.182 1.517 -5.194) 5.414 11.817 ( 1.186 -1.821 -4.804) 5.272 12.652 ( 0.747 0.055 -5.947) 5.994 12.654 ( 0.787 -0.220 -5.976) 6.032 12.700 ( 1.870 0.259 -6.346) 6.621 12.705 ( 1.906 -0.271 -6.347) 6.633 13.141 ( -0.683 1.672 3.115) 3.600 13.167 ( -1.189 -0.975 2.888) 3.271 13.322 ( 0.684 0.257 1.651) 1.805 13.326 ( 0.511 -0.218 1.551) 1.647 13.447 ( 0.095 -0.866 0.982) 1.313 13.460 ( 0.123 -1.868 0.942) 2.096 13.527 ( -0.640 0.286 -0.086) 0.706 13.555 ( -0.807 -2.330 -0.726) 2.570 13.754 ( -0.008 0.448 2.293) 2.336 13.767 ( -0.767 -0.713 2.368) 2.589 13.896 ( 0.422 0.474 -2.217) 2.306 13.898 ( 0.028 0.279 -1.914) 1.934 ======================= Grid point 113 (63/88) ======================= q-point: (-0.33 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -4.604 13.102 12.369) 18.598 2.255 ( -6.500 1.668 11.694) 13.483 2.382 ( -0.276 4.030 16.069) 16.569 2.531 ( -0.248 -4.633 9.162) 10.270 2.822 ( 1.184 5.745 -0.653) 5.902 2.834 ( 0.506 0.333 11.121) 11.138 2.875 ( 2.017 -0.154 5.511) 5.871 2.915 ( -1.473 0.959 4.894) 5.200 2.987 ( -4.017 1.475 4.204) 5.999 3.076 ( 1.273 -0.412 -4.182) 4.391 3.302 ( -3.295 -4.713 5.036) 7.644 3.356 ( -3.508 -7.498 10.692) 13.522 3.424 ( -0.750 3.066 16.174) 16.479 3.507 ( 0.144 -4.332 10.882) 11.713 3.664 ( 1.993 4.599 2.949) 5.815 3.731 ( 1.624 -1.933 2.503) 3.555 3.767 ( -2.000 8.346 2.536) 8.950 3.846 ( -1.213 0.477 4.152) 4.352 4.142 ( 2.634 4.620 0.479) 5.340 4.153 ( 1.245 4.216 -1.417) 4.619 4.326 ( -12.224 18.334 15.772) 27.098 4.534 ( -1.624 10.353 0.263) 10.483 4.540 ( 5.196 6.718 6.981) 10.994 4.578 ( -10.417 0.839 7.698) 12.979 4.697 ( -2.977 -1.832 4.469) 5.674 4.861 ( -10.960 -16.133 4.548) 20.027 5.423 ( 9.712 12.930 -1.919) 16.285 5.685 ( 7.617 -11.015 -8.869) 16.062 6.065 ( 3.626 4.012 -7.660) 9.377 6.144 ( 3.036 -4.286 -3.338) 6.223 6.425 ( 4.620 -0.079 -11.655) 12.537 6.491 ( 3.480 -5.868 -9.583) 11.763 7.018 ( -1.578 3.343 4.426) 5.767 7.119 ( -0.864 -5.804 3.531) 6.849 7.468 ( -1.494 5.346 -7.620) 9.427 7.577 ( 0.729 -5.127 -8.790) 10.202 7.963 ( -1.210 -0.481 -1.506) 1.991 7.980 ( -1.630 -1.955 1.887) 3.168 8.245 ( 1.921 4.446 -7.052) 8.555 8.346 ( -0.671 -5.436 -8.688) 10.270 9.580 ( -0.928 -1.654 4.214) 4.621 9.583 ( -0.630 -2.065 4.170) 4.696 9.859 ( 0.235 -0.523 1.171) 1.304 9.879 ( -0.164 -2.341 0.396) 2.380 10.269 ( -0.176 4.498 -2.247) 5.031 10.335 ( 0.455 -0.754 -3.010) 3.136 10.429 ( 0.691 3.712 -2.073) 4.307 10.537 ( 1.591 -5.283 -3.795) 6.697 10.761 ( -1.958 0.522 1.649) 2.613 10.778 ( -0.080 -1.242 2.123) 2.461 10.950 ( -0.501 0.594 -0.006) 0.777 10.959 ( -0.280 -0.269 -0.015) 0.388 11.300 ( -0.895 1.852 9.298) 9.523 11.344 ( -1.339 -2.557 7.591) 8.121 11.772 ( 0.907 2.436 -4.909) 5.555 11.823 ( 1.504 -2.672 -4.567) 5.501 12.643 ( 0.958 0.021 -5.632) 5.713 12.645 ( 0.906 -0.187 -5.850) 5.922 12.708 ( 1.791 0.142 -6.509) 6.752 12.713 ( 1.768 -0.321 -6.606) 6.846 13.144 ( -0.373 1.032 3.176) 3.360 13.161 ( -0.684 -0.634 2.881) 3.028 13.338 ( -0.007 0.873 1.263) 1.535 13.343 ( 0.490 0.218 1.309) 1.415 13.452 ( -0.114 -1.167 1.330) 1.773 13.462 ( 0.055 -1.746 0.788) 1.917 13.514 ( -0.587 -0.280 0.215) 0.685 13.536 ( -0.682 -2.159 -0.772) 2.393 13.764 ( -0.330 -0.017 2.106) 2.132 13.768 ( 0.014 -0.266 2.580) 2.594 13.889 ( -0.005 0.645 -2.199) 2.292 13.894 ( 0.297 0.112 -1.890) 1.917 ======================= Grid point 114 (64/88) ======================= q-point: (-0.17 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -2.350 13.516 13.099) 18.968 2.196 ( -4.219 8.506 12.104) 15.383 2.464 ( 1.097 -1.980 15.000) 15.170 2.556 ( -1.054 -2.125 8.029) 8.372 2.830 ( -2.106 3.013 7.509) 8.361 2.879 ( -0.104 2.958 5.625) 6.356 2.905 ( 2.394 3.418 2.591) 4.912 2.935 ( 0.783 -5.079 -0.250) 5.145 2.970 ( -1.583 -3.154 6.950) 7.795 3.085 ( 0.388 -2.073 -1.655) 2.681 3.295 ( 0.098 -3.292 8.218) 8.854 3.345 ( -2.280 -3.842 12.212) 13.003 3.462 ( -1.369 1.747 10.453) 10.686 3.518 ( -3.830 -1.614 9.169) 10.067 3.674 ( -1.366 6.308 5.205) 8.292 3.744 ( -2.411 -1.369 3.211) 4.243 3.813 ( 4.291 7.749 2.444) 9.189 3.875 ( 3.740 3.033 2.312) 5.342 4.124 ( -5.169 10.917 8.439) 14.735 4.177 ( 0.426 2.861 -1.215) 3.137 4.221 ( -5.409 11.597 10.603) 16.618 4.440 ( -6.059 4.989 5.523) 9.597 4.476 ( -3.870 8.569 0.549) 9.418 4.614 ( -5.851 -3.226 -0.872) 6.738 4.669 ( 0.954 -4.769 11.763) 12.729 4.735 ( -2.005 -9.266 13.757) 16.707 5.596 ( 8.105 8.474 -5.969) 13.158 5.755 ( 5.016 -4.470 -12.496) 14.188 6.089 ( 1.094 2.895 -4.634) 5.573 6.188 ( 2.877 -5.014 -4.317) 7.215 6.473 ( 4.737 0.006 -10.535) 11.551 6.514 ( 2.947 -4.435 -10.129) 11.443 6.965 ( -4.446 7.946 2.718) 9.502 7.144 ( 1.173 -8.918 3.730) 9.738 7.389 ( -2.292 6.707 -7.654) 10.432 7.548 ( -0.118 -8.534 -7.292) 11.226 7.930 ( -1.156 0.477 -1.171) 1.713 7.963 ( -0.768 -2.726 0.448) 2.867 8.258 ( 2.621 1.016 -7.395) 7.911 8.295 ( -0.781 -2.592 -8.221) 8.656 9.596 ( 0.707 -1.616 4.179) 4.536 9.606 ( 0.882 -2.460 4.289) 5.023 9.854 ( -1.116 -0.622 1.238) 1.779 9.867 ( -1.466 -1.863 1.347) 2.727 10.262 ( 0.541 4.327 -2.398) 4.976 10.335 ( 0.876 -2.133 -2.548) 3.436 10.419 ( -0.522 4.704 -3.364) 5.806 10.525 ( -1.019 -4.658 -4.316) 6.432 10.745 ( -0.437 2.150 2.196) 3.104 10.790 ( 0.481 -2.583 2.318) 3.504 10.922 ( -1.611 1.668 -1.689) 2.869 10.952 ( -0.734 -1.352 0.287) 1.564 11.327 ( -0.647 1.170 9.536) 9.629 11.360 ( -0.442 -2.085 7.524) 7.820 11.777 ( 1.596 2.703 -4.256) 5.289 11.834 ( 1.435 -2.911 -4.265) 5.359 12.641 ( 1.182 -0.056 -5.408) 5.536 12.642 ( 1.355 -0.163 -5.512) 5.678 12.712 ( 1.468 0.061 -6.662) 6.822 12.716 ( 1.498 -0.360 -6.922) 7.091 13.155 ( 0.130 0.493 3.126) 3.167 13.164 ( -0.429 -0.248 3.004) 3.045 13.328 ( -1.314 1.394 0.683) 2.034 13.344 ( -1.072 -0.221 1.065) 1.527 13.455 ( 0.010 -0.472 1.387) 1.465 13.474 ( 0.273 -2.127 1.250) 2.482 13.506 ( -0.260 -0.214 0.103) 0.352 13.530 ( 0.568 -2.214 -0.827) 2.431 13.763 ( -0.620 0.633 2.030) 2.215 13.780 ( -0.064 -0.858 2.504) 2.648 13.882 ( 0.292 0.902 -2.092) 2.297 13.894 ( 0.425 -0.232 -1.563) 1.636 ======================= Grid point 133 (65/88) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 3.037 0.000 24.628) 24.814 1.980 ( -10.551 0.000 28.655) 30.535 2.059 ( -0.882 0.000 -18.864) 18.885 2.485 ( 11.288 0.000 -20.340) 23.262 2.797 ( 10.865 0.000 3.894) 11.542 2.816 ( -6.888 0.000 0.502) 6.906 3.014 ( -5.987 0.000 7.783) 9.820 3.071 ( 6.442 0.000 -0.897) 6.504 3.177 ( 14.320 0.000 5.548) 15.357 3.180 ( -9.276 0.000 5.488) 10.778 3.355 ( -3.232 0.000 2.340) 3.990 3.383 ( 3.236 0.000 25.054) 25.262 3.447 ( -2.676 0.000 -3.146) 4.131 3.637 ( -1.976 0.000 14.622) 14.754 3.649 ( -2.292 0.000 -4.959) 5.464 3.710 ( -8.264 0.000 4.324) 9.327 3.755 ( 2.903 0.000 10.341) 10.740 3.769 ( 2.312 0.000 -0.381) 2.343 3.821 ( 6.477 0.000 -5.355) 8.404 3.864 ( -0.887 0.000 1.021) 1.353 3.891 ( -1.333 0.000 -1.498) 2.005 4.049 ( 0.347 0.000 12.488) 12.493 4.084 ( -3.412 0.000 -9.591) 10.180 4.231 ( -10.348 0.000 -7.288) 12.656 4.926 ( 4.528 0.000 1.871) 4.900 4.967 ( -5.640 0.000 -6.509) 8.612 5.543 ( -13.280 0.000 9.773) 16.488 5.684 ( 2.685 0.000 0.821) 2.808 6.094 ( -2.108 0.000 -1.312) 2.483 6.201 ( 10.252 0.000 -8.771) 13.492 6.339 ( -0.405 0.000 3.646) 3.668 6.504 ( 3.000 0.000 -11.891) 12.264 6.881 ( -1.437 0.000 4.370) 4.600 7.021 ( 3.676 0.000 -9.096) 9.810 7.634 ( 1.694 0.000 5.721) 5.966 7.751 ( -0.906 0.000 -6.058) 6.126 7.947 ( 2.575 0.000 4.647) 5.313 8.082 ( -5.502 0.000 -8.516) 10.139 8.188 ( -3.486 0.000 3.460) 4.912 8.281 ( 7.231 0.000 -5.938) 9.357 9.861 ( -0.004 0.000 2.015) 2.015 9.890 ( 1.216 0.000 -0.601) 1.356 9.966 ( 0.103 0.000 3.307) 3.308 9.992 ( -3.077 0.000 0.529) 3.122 10.092 ( -1.199 0.000 -2.078) 2.399 10.094 ( 2.865 0.000 -2.373) 3.720 10.456 ( 1.092 0.000 -0.289) 1.130 10.464 ( -2.191 0.000 -0.913) 2.373 10.692 ( 0.478 0.000 1.919) 1.977 10.730 ( -0.167 0.000 -2.203) 2.209 10.994 ( 0.255 0.000 1.259) 1.285 11.008 ( -0.632 0.000 -0.281) 0.692 11.499 ( -4.117 0.000 7.870) 8.882 11.633 ( 4.023 0.000 -5.830) 7.083 11.649 ( 0.684 0.000 8.786) 8.813 11.811 ( -0.397 0.000 -7.361) 7.372 12.575 ( 1.042 0.000 -1.501) 1.827 12.593 ( 0.584 0.000 -1.540) 1.647 12.604 ( 0.378 0.000 -4.318) 4.335 12.615 ( 0.216 0.000 -3.575) 3.581 13.159 ( -2.792 0.000 2.881) 4.012 13.212 ( 2.323 0.000 -2.513) 3.422 13.318 ( 0.255 0.000 4.073) 4.081 13.361 ( 0.075 0.000 -0.401) 0.408 13.497 ( -0.879 0.000 2.067) 2.246 13.539 ( 0.141 0.000 -1.986) 1.991 13.642 ( -1.732 0.000 0.857) 1.933 13.652 ( 0.826 0.000 -0.164) 0.842 13.809 ( 0.669 0.000 0.184) 0.694 13.815 ( 0.072 0.000 -0.744) 0.747 13.860 ( -0.329 0.000 1.237) 1.280 13.881 ( 0.415 0.000 -0.729) 0.839 ======================= Grid point 134 (66/88) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 7.452 0.000 20.861) 22.152 1.922 ( -0.473 0.000 2.066) 2.119 2.015 ( 1.330 0.000 -0.674) 1.491 2.469 ( -9.256 0.000 -5.479) 10.756 2.669 ( -2.862 0.000 -20.085) 20.288 2.861 ( -18.195 0.000 -3.851) 18.598 2.909 ( -4.785 0.000 -0.814) 4.853 3.024 ( 3.391 0.000 7.919) 8.615 3.125 ( -0.663 0.000 3.469) 3.532 3.287 ( -4.510 0.000 0.841) 4.588 3.392 ( -0.382 0.000 -0.307) 0.491 3.440 ( 7.176 0.000 1.837) 7.407 3.543 ( -3.699 0.000 15.193) 15.637 3.546 ( -4.195 0.000 -4.444) 6.111 3.591 ( 0.046 0.000 5.595) 5.595 3.647 ( -1.929 0.000 9.084) 9.287 3.776 ( -1.493 0.000 -0.358) 1.535 3.811 ( -2.118 0.000 -0.666) 2.221 3.849 ( -1.956 0.000 3.743) 4.224 3.933 ( 0.237 0.000 -4.919) 4.925 3.986 ( 12.001 0.000 19.658) 23.032 4.026 ( 6.011 0.000 -10.139) 11.787 4.166 ( 3.682 0.000 17.429) 17.813 4.199 ( 11.044 0.000 -1.568) 11.155 4.878 ( -1.659 0.000 -4.115) 4.437 4.947 ( -4.914 0.000 4.487) 6.654 5.279 ( -17.411 0.000 17.289) 24.537 5.710 ( 0.666 0.000 -0.183) 0.691 6.046 ( -2.177 0.000 -0.738) 2.298 6.357 ( 0.309 0.000 2.903) 2.919 6.367 ( 9.584 0.000 -13.015) 16.163 6.514 ( 3.113 0.000 -12.180) 12.572 6.920 ( 4.279 0.000 3.240) 5.367 7.068 ( 5.150 0.000 -9.400) 10.719 7.669 ( -1.044 0.000 4.111) 4.241 7.685 ( -2.781 0.000 -6.129) 6.730 7.947 ( -4.762 0.000 -5.337) 7.153 8.005 ( -0.142 0.000 6.377) 6.379 8.149 ( -0.816 0.000 1.473) 1.684 8.374 ( 5.438 0.000 -8.046) 9.711 9.844 ( -2.192 0.000 2.309) 3.184 9.887 ( -1.253 0.000 -2.352) 2.665 9.966 ( 0.108 0.000 3.067) 3.069 10.004 ( 1.673 0.000 2.999) 3.434 10.052 ( -1.150 0.000 -3.309) 3.504 10.106 ( -0.754 0.000 -2.080) 2.212 10.468 ( 2.914 0.000 -0.254) 2.925 10.489 ( 1.391 0.000 1.315) 1.914 10.715 ( 0.960 0.000 1.800) 2.040 10.740 ( 2.546 0.000 -2.063) 3.277 10.990 ( -1.133 0.000 0.048) 1.134 11.005 ( 0.198 0.000 0.938) 0.959 11.447 ( -4.526 0.000 7.464) 8.729 11.678 ( -1.476 0.000 8.543) 8.670 11.681 ( 3.315 0.000 -5.857) 6.730 11.759 ( -1.352 0.000 -8.381) 8.489 12.584 ( -0.035 0.000 -3.575) 3.575 12.587 ( 0.714 0.000 -1.909) 2.038 12.604 ( 0.663 0.000 -1.857) 1.972 12.604 ( 0.421 0.000 -3.236) 3.263 13.126 ( -1.827 0.000 3.250) 3.728 13.246 ( 1.897 0.000 -2.161) 2.875 13.329 ( -0.533 0.000 2.969) 3.016 13.348 ( -0.895 0.000 -1.193) 1.491 13.505 ( 0.428 0.000 2.548) 2.584 13.552 ( 1.824 0.000 -1.466) 2.340 13.615 ( -1.411 0.000 1.297) 1.916 13.664 ( 0.292 0.000 0.807) 0.858 13.815 ( 0.347 0.000 -1.068) 1.123 13.819 ( 0.377 0.000 -0.566) 0.680 13.854 ( -0.841 0.000 1.242) 1.500 13.879 ( -0.233 0.000 -1.088) 1.112 ======================= Grid point 135 (67/88) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 7.191 0.000 -17.213) 18.654 2.051 ( 8.665 0.000 14.090) 16.541 2.169 ( 11.529 0.000 11.529) 16.304 2.182 ( -18.279 0.000 3.600) 18.630 2.426 ( -21.602 0.000 -2.364) 21.731 2.490 ( -4.431 0.000 -24.774) 25.168 2.778 ( -7.068 0.000 -5.223) 8.789 3.038 ( -18.298 0.000 2.428) 18.458 3.144 ( -1.676 0.000 9.526) 9.673 3.156 ( 4.680 0.000 9.068) 10.204 3.422 ( 3.031 0.000 -1.989) 3.626 3.461 ( -0.774 0.000 -1.345) 1.552 3.483 ( -3.874 0.000 9.436) 10.200 3.563 ( -4.150 0.000 4.505) 6.125 3.589 ( 6.365 0.000 -5.481) 8.400 3.717 ( -0.689 0.000 6.726) 6.761 3.723 ( -4.819 0.000 -1.897) 5.178 3.762 ( 0.891 0.000 -4.352) 4.442 3.853 ( 1.497 0.000 8.296) 8.430 3.949 ( 2.167 0.000 -0.186) 2.174 4.163 ( 7.908 0.000 -0.921) 7.961 4.191 ( 2.089 0.000 11.525) 11.713 4.392 ( 8.429 0.000 20.831) 22.472 4.483 ( 17.879 0.000 -5.470) 18.697 4.747 ( -19.298 0.000 22.398) 29.565 4.854 ( 2.283 0.000 -11.906) 12.123 5.123 ( -6.011 0.000 15.890) 16.989 5.710 ( 1.154 0.000 -10.081) 10.147 6.020 ( -1.162 0.000 5.192) 5.320 6.365 ( -1.154 0.000 5.225) 5.351 6.405 ( 1.329 0.000 -16.735) 16.788 6.530 ( 3.276 0.000 -9.473) 10.023 7.060 ( 8.496 0.000 -0.444) 8.507 7.131 ( 4.354 0.000 -5.905) 7.337 7.606 ( -6.224 0.000 1.109) 6.322 7.607 ( -2.478 0.000 -5.405) 5.945 7.886 ( -0.285 0.000 -1.067) 1.104 7.986 ( -2.210 0.000 0.160) 2.215 8.179 ( 1.546 0.000 5.514) 5.726 8.416 ( 2.726 0.000 -9.269) 9.662 9.809 ( -2.542 0.000 3.451) 4.286 9.851 ( -0.975 0.000 -1.944) 2.174 9.990 ( 0.793 0.000 1.610) 1.795 10.029 ( -0.785 0.000 1.658) 1.834 10.040 ( 1.338 0.000 -2.459) 2.799 10.077 ( -0.450 0.000 -1.668) 1.727 10.507 ( -0.008 0.000 1.900) 1.900 10.534 ( 2.953 0.000 -1.259) 3.211 10.756 ( 2.913 0.000 3.153) 4.292 10.811 ( 5.086 0.000 -1.166) 5.218 10.960 ( -2.271 0.000 0.263) 2.286 10.995 ( -1.585 0.000 -1.098) 1.929 11.403 ( -3.093 0.000 8.726) 9.258 11.666 ( -3.380 0.000 8.367) 9.024 11.670 ( -1.883 0.000 -7.586) 7.816 11.738 ( 3.406 0.000 -7.659) 8.382 12.570 ( 0.189 0.000 -3.282) 3.288 12.579 ( -0.126 0.000 -2.987) 2.989 12.609 ( 0.650 0.000 -1.680) 1.802 12.611 ( 1.199 0.000 -2.472) 2.747 13.119 ( -0.394 0.000 3.695) 3.716 13.247 ( -0.840 0.000 -2.616) 2.748 13.329 ( -0.641 0.000 2.512) 2.592 13.338 ( 0.525 0.000 -0.746) 0.912 13.525 ( 0.504 0.000 2.064) 2.125 13.570 ( 0.246 0.000 -1.445) 1.466 13.620 ( 1.600 0.000 1.561) 2.235 13.668 ( -0.445 0.000 1.570) 1.632 13.816 ( -0.470 0.000 -0.105) 0.482 13.819 ( 0.638 0.000 -1.242) 1.397 13.842 ( -0.690 0.000 0.583) 0.903 13.864 ( -0.678 0.000 -1.362) 1.521 ======================= Grid point 136 (68/88) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -18.249 0.000 9.386) 20.521 2.012 ( -12.654 0.000 6.789) 14.361 2.081 ( 7.815 0.000 -11.492) 13.897 2.202 ( 4.658 0.000 -4.968) 6.810 2.440 ( 6.528 0.000 1.869) 6.790 2.572 ( 19.471 0.000 8.031) 21.062 2.604 ( -6.455 0.000 -8.780) 10.897 2.671 ( -17.327 0.000 -2.438) 17.498 3.191 ( 1.242 0.000 11.059) 11.129 3.251 ( 0.371 0.000 10.423) 10.430 3.438 ( -1.587 0.000 -2.715) 3.145 3.444 ( 0.849 0.000 -4.849) 4.923 3.482 ( -3.222 0.000 6.416) 7.179 3.534 ( 0.017 0.000 11.227) 11.227 3.600 ( -1.914 0.000 -5.183) 5.525 3.664 ( -4.848 0.000 4.890) 6.886 3.695 ( 1.746 0.000 -3.473) 3.887 3.774 ( 3.278 0.000 -6.514) 7.292 3.925 ( -0.031 0.000 6.869) 6.869 3.975 ( -0.292 0.000 3.599) 3.611 4.198 ( -9.452 0.000 10.116) 13.845 4.260 ( 0.781 0.000 4.225) 4.296 4.414 ( -9.000 0.000 26.224) 27.726 4.624 ( -2.843 0.000 6.834) 7.401 4.722 ( 3.663 0.000 -3.102) 4.799 4.924 ( 17.522 0.000 -24.525) 30.141 5.188 ( 3.948 0.000 25.252) 25.558 5.646 ( -1.709 0.000 -19.951) 20.024 6.047 ( 0.270 0.000 10.556) 10.560 6.325 ( -1.602 0.000 -16.515) 16.592 6.368 ( -1.005 0.000 7.202) 7.272 6.545 ( 2.417 0.000 -9.984) 10.272 7.151 ( -1.525 0.000 -1.206) 1.945 7.161 ( 0.366 0.000 -2.073) 2.105 7.506 ( -2.713 0.000 1.699) 3.201 7.575 ( 2.273 0.000 -5.260) 5.730 7.913 ( 3.336 0.000 -0.397) 3.360 7.949 ( -0.721 0.000 -3.917) 3.983 8.228 ( 0.355 0.000 7.608) 7.616 8.401 ( -0.124 0.000 -9.799) 9.800 9.783 ( -1.687 0.000 4.297) 4.616 9.838 ( 0.304 0.000 -1.412) 1.444 10.003 ( -1.424 0.000 0.406) 1.481 10.016 ( 1.879 0.000 -0.452) 1.933 10.064 ( 1.379 0.000 -1.064) 1.742 10.071 ( -0.195 0.000 -1.539) 1.551 10.512 ( -0.372 0.000 2.126) 2.158 10.552 ( 0.104 0.000 -1.717) 1.720 10.842 ( 2.020 0.000 4.135) 4.602 10.902 ( 4.318 0.000 -0.273) 4.327 10.911 ( -1.353 0.000 -0.164) 1.363 10.928 ( -4.243 0.000 -3.636) 5.587 11.416 ( 0.257 0.000 10.451) 10.454 11.601 ( -1.236 0.000 -8.388) 8.478 11.626 ( -4.228 0.000 8.253) 9.273 11.779 ( 3.788 0.000 -6.990) 7.950 12.565 ( 0.088 0.000 -2.770) 2.771 12.565 ( 0.608 0.000 -2.693) 2.761 12.614 ( 0.756 0.000 -2.218) 2.344 12.622 ( 1.054 0.000 -2.931) 3.115 13.141 ( 0.862 0.000 4.091) 4.181 13.212 ( -1.152 0.000 -3.004) 3.217 13.322 ( -1.330 0.000 2.603) 2.923 13.348 ( 0.361 0.000 -0.117) 0.379 13.541 ( 0.488 0.000 1.086) 1.190 13.566 ( 0.199 0.000 -1.405) 1.419 13.656 ( -1.465 0.000 1.579) 2.153 13.661 ( 1.555 0.000 1.053) 1.878 13.803 ( -0.968 0.000 1.077) 1.448 13.827 ( 0.529 0.000 -1.202) 1.313 13.837 ( 0.103 0.000 -0.022) 0.106 13.847 ( -0.265 0.000 -1.194) 1.223 ======================= Grid point 137 (69/88) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -12.985 0.000 17.551) 21.832 1.891 ( -4.694 0.000 24.860) 25.300 2.278 ( 13.806 0.000 -5.509) 14.864 2.312 ( 6.674 0.000 -2.006) 6.969 2.407 ( -7.690 0.000 -12.069) 14.311 2.438 ( 0.018 0.000 -5.429) 5.429 2.644 ( 9.890 0.000 7.609) 12.478 2.997 ( 17.803 0.000 6.928) 19.104 3.246 ( -4.848 0.000 8.804) 10.051 3.251 ( -0.459 0.000 1.018) 1.117 3.366 ( -2.529 0.000 -0.520) 2.581 3.377 ( -10.838 0.000 15.103) 18.589 3.434 ( -1.228 0.000 0.933) 1.542 3.585 ( 2.038 0.000 -2.300) 3.073 3.600 ( 1.105 0.000 9.514) 9.578 3.662 ( 2.731 0.000 4.720) 5.453 3.691 ( 0.790 0.000 -5.787) 5.840 3.810 ( 1.375 0.000 -2.976) 3.278 3.857 ( -9.023 0.000 4.730) 10.188 3.966 ( -1.197 0.000 -1.890) 2.237 4.006 ( -10.458 0.000 10.783) 15.021 4.244 ( -3.843 0.000 6.368) 7.437 4.379 ( -8.523 0.000 6.387) 10.650 4.624 ( 2.861 0.000 12.469) 12.793 4.661 ( -5.359 0.000 -7.463) 9.188 5.188 ( 14.146 0.000 -20.152) 24.621 5.416 ( 8.368 0.000 18.468) 20.275 5.506 ( -0.885 0.000 -21.196) 21.215 6.101 ( -0.109 0.000 12.164) 12.165 6.223 ( -2.071 0.000 -14.244) 14.394 6.376 ( -1.623 0.000 6.243) 6.450 6.538 ( 1.440 0.000 -10.948) 11.043 7.060 ( -8.209 0.000 0.964) 8.266 7.076 ( -4.275 0.000 -2.124) 4.774 7.524 ( 1.975 0.000 2.874) 3.487 7.645 ( 6.023 0.000 -3.328) 6.882 7.924 ( -0.057 0.000 -4.716) 4.717 8.007 ( 6.925 0.000 -2.240) 7.278 8.249 ( -1.532 0.000 7.649) 7.801 8.333 ( -2.575 0.000 -9.602) 9.941 9.787 ( 0.212 0.000 4.506) 4.511 9.847 ( 0.978 0.000 -0.667) 1.184 9.991 ( -0.177 0.000 0.838) 0.856 10.049 ( -0.927 0.000 -2.629) 2.788 10.058 ( 2.637 0.000 -0.878) 2.779 10.072 ( -0.163 0.000 -1.224) 1.234 10.504 ( -1.557 0.000 1.543) 2.192 10.542 ( -0.251 0.000 -1.395) 1.417 10.785 ( -5.626 0.000 1.546) 5.834 10.825 ( -4.068 0.000 -3.947) 5.668 10.963 ( 2.040 0.000 0.027) 2.040 10.968 ( 3.364 0.000 1.462) 3.668 11.488 ( 2.073 0.000 11.011) 11.204 11.566 ( 1.232 0.000 -7.643) 7.742 11.582 ( -3.792 0.000 7.838) 8.707 11.817 ( 3.004 0.000 -6.736) 7.376 12.560 ( 0.460 0.000 -2.293) 2.338 12.571 ( 0.992 0.000 -2.152) 2.369 12.618 ( 0.754 0.000 -3.178) 3.267 12.626 ( 0.761 0.000 -3.342) 3.427 13.180 ( 1.166 0.000 4.121) 4.283 13.187 ( -0.017 0.000 -3.075) 3.075 13.300 ( -2.076 0.000 3.114) 3.743 13.351 ( 0.078 0.000 0.072) 0.107 13.547 ( -0.595 0.000 0.888) 1.069 13.564 ( 0.106 0.000 -1.739) 1.742 13.633 ( -0.903 0.000 0.389) 0.983 13.679 ( -0.020 0.000 0.638) 0.639 13.793 ( -0.553 0.000 1.541) 1.637 13.823 ( -0.186 0.000 -0.914) 0.933 13.844 ( 0.529 0.000 0.388) 0.656 13.853 ( 1.006 0.000 -0.696) 1.224 ======================= Grid point 138 (70/88) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -4.534 0.000 23.957) 24.382 1.974 ( -2.051 0.000 31.105) 31.172 2.212 ( -6.596 0.000 -14.575) 15.998 2.352 ( 8.073 0.000 -16.106) 18.016 2.541 ( 14.056 0.000 1.488) 14.134 2.697 ( 16.488 0.000 9.675) 19.117 2.857 ( 9.740 0.000 4.905) 10.905 3.101 ( -8.820 0.000 14.973) 17.377 3.134 ( -6.640 0.000 -4.898) 8.251 3.243 ( -4.424 0.000 14.153) 14.828 3.305 ( 0.191 0.000 11.188) 11.190 3.389 ( 0.759 0.000 0.231) 0.793 3.450 ( 2.390 0.000 0.467) 2.436 3.631 ( -3.244 0.000 12.191) 12.615 3.633 ( 3.517 0.000 -1.939) 4.016 3.707 ( -1.190 0.000 5.934) 6.053 3.714 ( 4.371 0.000 -3.295) 5.473 3.786 ( -2.046 0.000 -3.353) 3.928 3.803 ( 4.034 0.000 0.437) 4.058 3.873 ( -7.725 0.000 8.577) 11.543 3.917 ( -2.141 0.000 -4.415) 4.907 4.171 ( -12.742 0.000 2.950) 13.079 4.185 ( -4.726 0.000 3.173) 5.692 4.477 ( -9.945 0.000 -9.621) 13.838 4.786 ( 7.356 0.000 7.971) 10.847 5.139 ( -6.248 0.000 -16.491) 17.635 5.575 ( 10.280 0.000 -9.526) 14.015 5.604 ( 3.561 0.000 8.085) 8.834 6.125 ( -2.023 0.000 7.432) 7.703 6.140 ( -0.323 0.000 -9.153) 9.158 6.353 ( -2.715 0.000 4.780) 5.497 6.512 ( 1.211 0.000 -11.329) 11.394 6.930 ( -5.646 0.000 3.818) 6.816 7.014 ( 0.064 0.000 -6.189) 6.190 7.577 ( 1.833 0.000 4.840) 5.176 7.740 ( 4.293 0.000 -2.858) 5.157 7.909 ( 0.437 0.000 -2.005) 2.052 8.138 ( 7.538 0.000 -5.975) 9.618 8.230 ( -3.749 0.000 -7.606) 8.480 8.233 ( -3.119 0.000 6.215) 6.953 9.825 ( 1.719 0.000 3.784) 4.156 9.867 ( 1.210 0.000 -0.157) 1.220 9.981 ( -1.953 0.000 2.041) 2.825 10.046 ( 2.323 0.000 -3.057) 3.840 10.046 ( -1.876 0.000 -1.145) 2.198 10.097 ( 1.430 0.000 -0.936) 1.709 10.467 ( -1.912 0.000 -0.367) 1.947 10.520 ( -1.947 0.000 -1.633) 2.541 10.701 ( -2.999 0.000 2.055) 3.636 10.757 ( -1.645 0.000 -2.770) 3.222 10.985 ( 0.398 0.000 0.665) 0.775 11.010 ( 0.723 0.000 0.228) 0.758 11.536 ( -3.449 0.000 9.672) 10.269 11.584 ( 3.510 0.000 -6.310) 7.220 11.584 ( 1.929 0.000 8.229) 8.452 11.831 ( 1.390 0.000 -6.825) 6.965 12.563 ( 0.817 0.000 -1.790) 1.967 12.583 ( 1.024 0.000 -1.719) 2.001 12.615 ( 0.517 0.000 -4.091) 4.123 12.623 ( 0.473 0.000 -3.531) 3.562 13.187 ( 1.349 0.000 -2.905) 3.203 13.195 ( -1.699 0.000 3.039) 3.482 13.291 ( 0.059 0.000 4.403) 4.403 13.355 ( 0.390 0.000 0.028) 0.391 13.522 ( -2.165 0.000 1.507) 2.637 13.553 ( -0.385 0.000 -2.057) 2.092 13.635 ( 0.909 0.000 -0.667) 1.127 13.669 ( -1.213 0.000 0.551) 1.333 13.796 ( 0.219 0.000 1.175) 1.196 13.817 ( -0.074 0.000 -0.602) 0.607 13.856 ( 0.274 0.000 0.917) 0.957 13.870 ( 0.930 0.000 -0.548) 1.080 ======================= Grid point 139 (71/88) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 3.800 16.936 20.234) 26.659 2.062 ( -8.662 7.819 27.629) 29.992 2.187 ( -1.463 10.482 -16.788) 19.846 2.530 ( 8.940 4.400 -18.966) 21.424 2.793 ( 5.198 -0.597 4.765) 7.077 2.860 ( -2.066 1.949 -2.070) 3.514 3.073 ( -4.986 4.481 5.525) 8.687 3.103 ( 4.668 2.156 0.256) 5.148 3.151 ( -6.382 -1.877 6.564) 9.346 3.225 ( 9.832 4.066 4.623) 11.601 3.396 ( -5.016 3.975 2.764) 6.971 3.457 ( 3.077 5.217 18.378) 19.350 3.482 ( 0.200 4.230 0.514) 4.266 3.639 ( -0.457 -0.048 0.161) 0.487 3.667 ( 0.205 3.344 8.972) 9.577 3.685 ( -5.016 -0.747 4.444) 6.743 3.739 ( 1.554 -4.588 1.630) 5.111 3.790 ( 0.471 5.383 3.307) 6.335 3.875 ( -6.046 3.125 1.554) 6.981 3.903 ( 3.776 8.281 3.983) 9.934 3.922 ( 0.321 2.741 -2.858) 3.973 4.102 ( 1.101 4.577 8.861) 10.034 4.147 ( -0.906 6.593 -4.548) 8.060 4.273 ( -9.597 3.696 -6.336) 12.079 4.936 ( 4.038 1.036 2.123) 4.678 4.993 ( -5.155 2.683 -7.614) 9.578 5.523 ( -10.695 -2.319 9.262) 14.337 5.651 ( 1.915 -3.092 0.558) 3.679 6.105 ( -0.779 0.837 0.090) 1.147 6.230 ( 7.345 2.584 -9.305) 12.133 6.313 ( 0.125 -2.278 2.600) 3.459 6.466 ( 2.560 -3.783 -11.776) 12.631 6.873 ( -1.164 -0.469 5.356) 5.501 7.029 ( 3.087 0.817 -9.762) 10.271 7.591 ( 1.555 -4.380 5.657) 7.322 7.708 ( -0.679 -4.357 -6.169) 7.583 7.941 ( 2.381 -0.635 4.150) 4.826 8.059 ( -5.061 -2.138 -6.874) 8.800 8.176 ( -2.953 -1.220 2.167) 3.860 8.262 ( 6.504 -1.854 -5.947) 9.006 9.831 ( -0.155 -2.903 1.833) 3.437 9.846 ( 0.945 -3.916 0.681) 4.086 9.951 ( 0.828 -1.628 2.137) 2.811 9.967 ( -3.058 -2.307 0.558) 3.871 10.109 ( 1.321 1.842 -1.403) 2.666 10.121 ( 0.035 2.758 -2.554) 3.759 10.443 ( 1.243 -1.269 0.206) 1.788 10.463 ( -2.261 -0.227 -1.709) 2.843 10.709 ( 0.483 1.640 1.878) 2.540 10.747 ( -0.263 1.612 -2.173) 2.718 10.972 ( 0.508 -1.982 1.675) 2.645 10.998 ( -0.789 -1.177 -0.810) 1.632 11.499 ( -3.922 0.086 8.022) 8.930 11.619 ( 2.139 -1.272 2.117) 3.268 11.656 ( 2.095 0.500 0.827) 2.307 11.800 ( -0.193 -1.089 -7.334) 7.417 12.574 ( 0.974 -0.067 -1.506) 1.795 12.591 ( 0.704 -0.204 -1.498) 1.667 12.602 ( 0.317 -0.179 -4.269) 4.284 12.613 ( 0.261 -0.215 -3.604) 3.620 13.168 ( -2.612 0.920 2.649) 3.832 13.213 ( 2.135 0.090 -1.713) 2.739 13.313 ( 0.472 -0.345 3.243) 3.296 13.351 ( -0.542 -0.825 -0.534) 1.122 13.508 ( 0.288 0.661 1.589) 1.745 13.535 ( -0.703 -0.714 -1.061) 1.459 13.617 ( -1.559 -2.264 1.058) 2.945 13.631 ( 0.942 -1.887 -0.452) 2.157 13.793 ( -0.087 -1.285 0.526) 1.391 13.812 ( 0.528 -0.290 -1.459) 1.578 13.858 ( -0.200 -0.132 1.603) 1.621 13.882 ( 0.373 0.114 -0.803) 0.893 ======================= Grid point 140 (72/88) ======================= q-point: ( 0.17 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 1.641 13.803 17.458) 22.316 2.038 ( 3.560 11.176 14.369) 18.548 2.131 ( 1.940 10.556 -11.453) 15.696 2.502 ( -8.043 2.609 -6.750) 10.819 2.686 ( -3.405 1.960 -16.663) 17.120 2.874 ( -11.455 1.194 3.247) 11.966 2.975 ( -5.840 3.572 -3.752) 7.806 3.061 ( 1.949 3.644 6.067) 7.341 3.202 ( 2.304 0.826 1.030) 2.656 3.277 ( -8.719 3.932 3.557) 10.204 3.391 ( 6.126 -1.504 0.623) 6.338 3.452 ( -1.319 4.207 4.667) 6.420 3.556 ( -1.336 0.481 8.698) 8.813 3.587 ( -4.223 4.072 -3.592) 6.879 3.632 ( -0.310 3.096 1.507) 3.457 3.706 ( -2.715 3.147 5.414) 6.826 3.748 ( 1.133 0.989 6.638) 6.807 3.780 ( -4.198 1.276 2.709) 5.157 3.877 ( 2.103 -0.361 4.295) 4.795 3.934 ( 1.161 2.025 -1.909) 3.015 4.047 ( 9.223 6.408 14.982) 18.724 4.074 ( -0.900 5.010 -6.351) 8.139 4.201 ( 4.430 3.806 8.973) 10.706 4.294 ( 11.357 7.984 1.998) 14.026 4.905 ( -1.443 3.069 -5.382) 6.361 4.957 ( -3.969 1.068 4.625) 6.187 5.293 ( -16.177 1.117 15.603) 22.504 5.676 ( 1.100 -3.472 -0.370) 3.661 6.055 ( -3.576 0.918 0.409) 3.714 6.310 ( 2.571 -3.729 -1.356) 4.727 6.370 ( 5.223 -0.899 -10.358) 11.635 6.477 ( 3.520 -3.472 -10.608) 11.703 6.926 ( 4.760 0.803 3.931) 6.225 7.064 ( 4.710 -0.304 -9.284) 10.415 7.611 ( -2.372 -5.478 1.665) 6.197 7.654 ( -1.545 -3.345 -3.971) 5.417 7.940 ( -3.585 -0.646 -4.043) 5.442 8.007 ( 0.583 0.244 5.113) 5.152 8.134 ( -0.982 -1.447 0.906) 1.969 8.352 ( 5.475 -2.261 -7.740) 9.746 9.814 ( -1.957 -2.739 1.738) 3.788 9.850 ( -1.020 -3.423 -1.059) 3.726 9.933 ( -0.443 -2.967 2.725) 4.053 9.986 ( 1.041 -1.995 2.009) 3.016 10.078 ( -0.723 2.874 -3.084) 4.277 10.134 ( -0.291 2.482 -1.517) 2.924 10.458 ( 2.516 -0.993 -0.873) 2.842 10.481 ( 1.574 -0.886 1.718) 2.493 10.722 ( 0.545 0.906 0.802) 1.327 10.763 ( 2.549 1.965 -0.974) 3.362 10.972 ( -1.230 -1.801 -0.188) 2.189 10.993 ( 0.435 -1.211 0.958) 1.604 11.452 ( -4.308 0.547 7.642) 8.790 11.655 ( -0.352 -1.775 5.675) 5.956 11.688 ( 1.853 0.188 -3.059) 3.582 11.752 ( -1.140 -0.637 -8.257) 8.360 12.582 ( 0.240 -0.172 -2.648) 2.665 12.588 ( 0.439 0.044 -2.910) 2.943 12.601 ( 0.739 -0.262 -1.839) 1.999 12.603 ( 0.434 -0.144 -3.213) 3.245 13.137 ( -1.774 1.016 2.928) 3.571 13.245 ( 1.489 -0.156 -1.459) 2.090 13.326 ( -0.330 -0.247 2.180) 2.218 13.338 ( -0.403 -0.682 -0.459) 0.916 13.511 ( -0.051 -0.086 0.823) 0.829 13.549 ( 1.784 -0.318 0.214) 1.825 13.590 ( -1.495 -2.216 1.178) 2.921 13.644 ( 0.397 -1.710 0.308) 1.783 13.794 ( 0.081 -1.677 0.253) 1.698 13.817 ( 0.675 -0.127 -1.558) 1.703 13.854 ( -0.843 -0.028 1.298) 1.548 13.879 ( -0.230 0.105 -1.184) 1.211 ======================= Grid point 141 (73/88) ======================= q-point: ( 0.33 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 5.046 8.490 -1.660) 10.015 2.170 ( 1.595 7.813 0.040) 7.974 2.262 ( -8.881 7.540 4.862) 12.624 2.276 ( 10.255 11.792 7.863) 17.494 2.509 ( -12.565 6.371 -8.257) 16.329 2.585 ( -10.042 10.289 -11.192) 18.220 2.817 ( -7.857 2.320 -4.803) 9.496 3.056 ( -13.593 1.135 1.337) 13.706 3.147 ( 2.210 2.820 4.795) 5.986 3.277 ( 2.848 5.012 8.047) 9.898 3.425 ( -2.228 0.194 0.327) 2.261 3.463 ( -6.037 2.452 2.338) 6.923 3.487 ( 0.709 3.217 7.099) 7.826 3.566 ( 2.304 1.760 -1.640) 3.331 3.657 ( -1.407 3.224 2.561) 4.351 3.708 ( 1.021 -1.995 3.658) 4.290 3.732 ( -0.514 3.549 1.810) 4.017 3.781 ( 1.026 2.120 0.751) 2.472 3.887 ( 0.170 2.261 1.989) 3.016 3.935 ( -0.922 0.302 1.650) 1.914 4.142 ( 5.768 0.867 2.124) 6.207 4.237 ( 1.978 3.080 7.326) 8.190 4.397 ( 9.847 1.773 15.331) 18.307 4.549 ( 13.209 5.014 -1.348) 14.193 4.788 ( -16.025 4.393 20.090) 26.071 4.894 ( 2.866 4.008 -13.006) 13.908 5.136 ( -6.315 1.116 15.946) 17.187 5.687 ( 1.738 -2.750 -10.095) 10.607 6.004 ( -2.483 -1.308 5.378) 6.066 6.333 ( -0.439 -3.260 4.078) 5.239 6.364 ( 0.484 -4.007 -15.944) 16.447 6.504 ( 3.096 -2.726 -8.886) 9.797 7.058 ( 6.261 -0.558 0.578) 6.312 7.133 ( 5.887 0.824 -5.605) 8.171 7.534 ( -4.578 -5.603 -0.641) 7.264 7.599 ( -3.055 -2.156 -3.413) 5.062 7.895 ( 0.336 0.850 -1.975) 2.176 7.995 ( -2.326 1.006 0.072) 2.535 8.165 ( 1.899 -1.529 5.342) 5.872 8.398 ( 2.820 -2.021 -8.906) 9.558 9.782 ( -2.148 -2.431 2.542) 4.121 9.815 ( -1.624 -3.232 -0.793) 3.703 9.959 ( 1.365 -3.518 2.378) 4.460 9.997 ( 0.153 -2.704 0.128) 2.711 10.069 ( 0.149 3.450 -1.686) 3.843 10.109 ( -0.680 2.730 -1.979) 3.440 10.504 ( -0.001 -0.539 2.313) 2.375 10.521 ( 3.344 -1.371 -1.435) 3.888 10.755 ( 2.592 0.088 2.074) 3.321 10.828 ( 4.335 1.533 -0.286) 4.607 10.939 ( -2.221 -1.965 -0.427) 2.996 10.990 ( -1.188 -0.595 -0.483) 1.414 11.412 ( -2.996 0.926 8.761) 9.306 11.648 ( -3.175 -1.717 8.039) 8.812 11.671 ( -1.753 0.051 -7.189) 7.400 11.732 ( 3.097 -0.632 -7.637) 8.265 12.570 ( 0.179 0.014 -3.191) 3.196 12.578 ( -0.062 -0.040 -3.009) 3.010 12.606 ( 0.725 -0.253 -1.863) 2.015 12.610 ( 1.118 -0.139 -2.428) 2.676 13.129 ( -0.392 0.936 3.336) 3.487 13.242 ( -1.036 -0.503 -1.820) 2.154 13.329 ( -0.267 -0.036 1.845) 1.864 13.338 ( 0.568 0.069 -0.313) 0.652 13.522 ( 0.519 -0.695 1.136) 1.429 13.562 ( -0.570 -1.181 -0.399) 1.371 13.597 ( 1.652 -1.920 1.468) 2.927 13.648 ( -0.247 -1.729 0.800) 1.921 13.797 ( 0.094 -1.474 0.481) 1.553 13.825 ( 0.767 0.218 -1.335) 1.555 13.839 ( -1.114 -0.190 0.744) 1.353 13.864 ( -0.718 0.141 -1.492) 1.662 ======================= Grid point 142 (74/88) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -12.726 9.321 12.937) 20.401 2.153 ( -16.560 13.470 4.975) 21.919 2.231 ( 10.782 12.153 -9.180) 18.661 2.292 ( 2.551 8.168 -7.969) 11.693 2.477 ( 7.700 3.789 4.093) 9.508 2.634 ( -6.647 2.869 -6.789) 9.925 2.652 ( 12.744 6.860 8.159) 16.614 2.779 ( -12.521 9.038 -4.495) 16.083 3.225 ( 2.884 3.990 9.474) 10.676 3.340 ( -2.126 2.770 9.925) 10.521 3.355 ( -3.582 -2.812 -2.519) 5.204 3.429 ( 2.238 0.682 -1.156) 2.609 3.518 ( -0.560 1.065 7.573) 7.668 3.583 ( -5.285 3.043 5.735) 8.371 3.626 ( 3.137 8.282 -2.462) 9.192 3.699 ( -2.383 2.025 1.137) 3.327 3.774 ( 1.656 4.298 -0.712) 4.660 3.806 ( 2.595 2.917 -5.131) 6.447 3.889 ( -2.867 -2.162 7.411) 8.235 3.945 ( 1.104 -1.874 2.431) 3.262 4.205 ( -9.608 1.463 8.046) 12.617 4.237 ( 1.686 -0.175 6.173) 6.401 4.491 ( -6.605 5.828 22.778) 24.421 4.642 ( -4.546 2.505 6.803) 8.557 4.724 ( 2.721 0.138 -2.477) 3.682 4.975 ( 15.516 4.621 -23.076) 28.189 5.193 ( 3.261 0.316 24.111) 24.333 5.634 ( -1.024 -1.406 -19.580) 19.657 6.013 ( -0.309 -3.190 10.376) 10.860 6.285 ( -1.234 -3.686 -15.320) 15.805 6.345 ( -0.212 -2.582 5.790) 6.343 6.515 ( 2.201 -3.072 -9.808) 10.510 7.122 ( -0.201 -1.821 1.757) 2.539 7.185 ( -0.829 1.600 -4.526) 4.872 7.469 ( -1.568 -3.621 2.565) 4.706 7.552 ( 1.647 -2.199 -5.893) 6.502 7.927 ( 3.503 1.354 -1.194) 3.941 7.949 ( -1.445 0.223 -3.315) 3.623 8.218 ( 0.475 -1.143 7.255) 7.360 8.384 ( -0.093 -1.799 -9.500) 9.670 9.760 ( -1.289 -2.096 3.506) 4.283 9.792 ( -0.472 -3.791 -0.039) 3.821 9.985 ( 0.475 -2.870 0.560) 2.962 10.010 ( 1.253 -3.877 -0.914) 4.175 10.057 ( -0.626 3.991 0.350) 4.055 10.102 ( 0.654 2.594 -3.066) 4.069 10.506 ( -0.710 -0.729 2.327) 2.540 10.552 ( 0.872 -0.325 -2.101) 2.298 10.830 ( 2.227 -1.010 3.313) 4.118 10.878 ( -1.557 -1.905 -1.012) 2.660 10.916 ( 2.998 0.514 0.232) 3.050 10.938 ( -3.122 0.563 -2.409) 3.984 11.424 ( -0.013 0.733 10.364) 10.390 11.607 ( -0.962 0.595 -8.302) 8.379 11.612 ( -4.063 -1.441 8.419) 9.458 11.767 ( 3.590 -1.163 -7.114) 8.053 12.564 ( 0.324 -0.035 -2.589) 2.610 12.567 ( 0.347 0.062 -2.816) 2.838 12.612 ( 0.771 -0.235 -2.243) 2.383 12.620 ( 1.019 -0.223 -2.978) 3.156 13.148 ( 0.765 0.716 3.734) 3.878 13.209 ( -1.190 -0.274 -2.148) 2.470 13.326 ( -0.952 0.374 1.960) 2.211 13.348 ( 0.356 -0.017 -0.145) 0.385 13.535 ( 0.193 -0.820 0.955) 1.273 13.554 ( 0.218 -1.411 -0.834) 1.653 13.629 ( 0.492 -2.478 1.517) 2.947 13.640 ( -0.547 -1.848 0.417) 1.972 13.803 ( -0.003 -0.186 1.378) 1.390 13.821 ( -0.549 -0.953 0.110) 1.105 13.838 ( 0.606 0.700 -0.913) 1.301 13.843 ( -0.427 -0.241 -1.541) 1.617 ======================= Grid point 143 (75/88) ======================= q-point: (-0.33 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -11.396 16.819 15.544) 25.580 1.989 ( -5.029 9.549 22.381) 24.847 2.328 ( 7.033 4.306 -7.863) 11.394 2.422 ( 0.226 8.073 -4.782) 9.386 2.510 ( 6.050 7.076 -4.159) 10.197 2.576 ( -1.042 15.311 -6.929) 16.838 2.693 ( 9.730 4.178 6.547) 12.449 2.975 ( 13.159 -1.400 8.338) 15.641 3.236 ( -6.386 -2.025 -0.891) 6.758 3.297 ( -2.596 0.905 12.486) 12.786 3.384 ( 4.122 3.333 0.037) 5.301 3.420 ( -5.552 2.533 8.567) 10.518 3.493 ( -2.980 9.222 0.624) 9.711 3.566 ( -0.092 0.483 8.237) 8.252 3.657 ( 0.702 4.264 -1.295) 4.511 3.674 ( 0.562 2.363 1.876) 3.069 3.784 ( 0.423 5.044 0.217) 5.066 3.821 ( 0.185 0.425 -1.507) 1.577 3.853 ( -4.173 -0.411 2.772) 5.027 3.942 ( -2.457 1.178 1.088) 2.934 4.025 ( -8.803 2.589 7.295) 11.722 4.249 ( -2.873 0.997 6.864) 7.507 4.417 ( -10.265 4.213 6.877) 13.054 4.646 ( 2.864 1.917 11.820) 12.312 4.669 ( -4.505 0.908 -6.365) 7.851 5.194 ( 11.776 0.367 -17.331) 20.957 5.401 ( 7.824 -1.543 16.975) 18.755 5.511 ( -0.607 0.325 -20.422) 20.433 6.062 ( 0.231 -3.653 11.137) 11.724 6.206 ( -0.542 -1.729 -13.090) 13.215 6.364 ( -0.771 -1.520 4.784) 5.079 6.507 ( 1.485 -3.088 -10.785) 11.316 7.053 ( -7.872 -0.505 1.593) 8.047 7.095 ( -3.831 1.887 -2.698) 5.051 7.486 ( 1.464 -3.662 2.545) 4.693 7.615 ( 5.785 -2.984 -3.748) 7.511 7.916 ( -0.345 -0.534 -3.986) 4.036 8.014 ( 6.051 0.578 -1.998) 6.399 8.234 ( -2.010 -1.687 6.232) 6.762 8.321 ( -2.291 -1.383 -8.630) 9.036 9.767 ( 0.375 -1.942 4.007) 4.469 9.796 ( 0.658 -4.179 0.704) 4.289 9.981 ( -0.979 -3.168 -0.141) 3.319 10.026 ( 1.074 -2.605 -2.220) 3.587 10.054 ( -0.167 2.037 0.368) 2.077 10.109 ( 1.466 3.584 -2.203) 4.455 10.491 ( -1.933 -1.368 1.473) 2.788 10.550 ( -0.016 0.396 -2.121) 2.157 10.775 ( -4.653 -0.495 0.386) 4.695 10.846 ( -4.032 1.621 -2.452) 4.990 10.922 ( 2.591 -2.665 0.879) 3.819 10.981 ( 2.345 0.093 0.594) 2.421 11.487 ( 1.593 -0.052 10.635) 10.754 11.569 ( -2.470 -0.582 3.689) 4.477 11.580 ( 0.312 0.700 -2.928) 3.027 11.802 ( 2.971 -1.443 -6.843) 7.598 12.560 ( 0.460 0.039 -2.266) 2.313 12.570 ( 0.905 -0.094 -2.113) 2.300 12.615 ( 0.746 -0.232 -3.135) 3.231 12.623 ( 0.757 -0.272 -3.374) 3.469 13.179 ( 0.482 -0.110 1.289) 1.381 13.191 ( 0.425 0.393 0.376) 0.690 13.307 ( -1.776 0.751 2.154) 2.891 13.351 ( 0.191 0.041 -0.028) 0.197 13.529 ( -0.924 -1.351 0.228) 1.652 13.565 ( 0.816 -0.849 -0.506) 1.281 13.613 ( -1.102 -1.814 -0.018) 2.123 13.647 ( -0.131 -2.733 1.007) 2.916 13.800 ( -0.634 0.010 1.154) 1.317 13.818 ( -0.299 0.109 -0.976) 1.027 13.832 ( 0.572 -0.988 0.554) 1.269 13.856 ( 1.080 0.274 -0.626) 1.278 ======================= Grid point 144 (76/88) ======================= q-point: (-0.17 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -3.698 17.217 19.749) 26.460 2.052 ( -2.648 7.566 28.917) 30.007 2.317 ( -5.047 7.535 -11.320) 14.505 2.425 ( 7.923 6.336 -15.262) 18.326 2.578 ( 10.447 5.520 0.191) 11.817 2.824 ( 11.949 8.356 5.532) 15.595 2.914 ( 11.526 5.194 4.371) 13.376 3.097 ( -4.194 -0.049 0.254) 4.202 3.167 ( -0.614 -1.164 6.848) 6.973 3.229 ( -8.703 2.840 17.720) 19.945 3.368 ( -2.927 6.242 12.259) 14.064 3.432 ( 3.873 0.159 -2.666) 4.705 3.485 ( -1.790 6.586 -0.688) 6.859 3.613 ( 2.007 -1.685 4.985) 5.632 3.645 ( -0.413 0.506 -0.259) 0.703 3.717 ( -0.458 2.739 6.347) 6.928 3.743 ( -3.415 -0.082 5.831) 6.758 3.797 ( -1.964 3.259 1.183) 3.985 3.866 ( 4.780 5.709 -3.158) 8.088 3.882 ( -2.358 3.638 1.888) 4.729 3.950 ( -2.450 3.186 0.065) 4.020 4.198 ( -9.531 3.849 6.237) 12.022 4.214 ( -6.873 2.837 2.051) 7.714 4.497 ( -9.136 1.792 -8.648) 12.707 4.805 ( 6.900 1.874 7.851) 10.619 5.153 ( -5.452 1.300 -15.113) 16.119 5.544 ( 5.583 -3.138 -2.470) 6.864 5.583 ( 5.932 -2.070 1.828) 6.544 6.096 ( -0.262 -2.085 4.614) 5.070 6.172 ( 2.081 2.156 -7.031) 7.643 6.341 ( -3.081 -1.125 3.325) 4.670 6.482 ( 0.983 -3.031 -11.315) 11.755 6.921 ( -5.976 -0.645 4.317) 7.401 7.034 ( -0.258 2.082 -6.756) 7.074 7.534 ( 1.851 -4.299 4.704) 6.636 7.700 ( 3.860 -4.053 -3.708) 6.714 7.904 ( 0.589 -0.417 -1.399) 1.574 8.129 ( 6.906 -0.886 -4.432) 8.254 8.180 ( -4.596 -3.389 -1.778) 5.981 8.248 ( -2.742 -0.252 -0.984) 2.924 9.803 ( 1.404 -2.391 3.488) 4.455 9.820 ( 1.318 -3.940 1.037) 4.282 9.955 ( -1.434 -2.642 0.430) 3.037 10.018 ( -1.812 -2.847 -0.341) 3.392 10.066 ( 2.365 2.310 -2.217) 3.980 10.131 ( 0.952 3.294 -1.205) 3.634 10.451 ( -1.910 -1.626 -0.185) 2.515 10.524 ( -2.101 0.071 -2.402) 3.192 10.710 ( -2.020 0.963 1.612) 2.758 10.778 ( -1.993 1.937 -2.244) 3.572 10.956 ( 0.774 -2.515 1.067) 2.840 11.007 ( 0.282 -0.661 -0.174) 0.739 11.532 ( -3.265 -0.334 9.671) 10.213 11.564 ( 1.948 -1.033 4.150) 4.699 11.605 ( 3.030 1.170 -2.082) 3.858 11.817 ( 1.504 -1.397 -6.877) 7.177 12.564 ( 0.789 0.017 -1.795) 1.960 12.581 ( 0.967 -0.214 -1.673) 1.944 12.613 ( 0.521 -0.215 -4.003) 4.042 12.620 ( 0.495 -0.265 -3.548) 3.592 13.186 ( 1.126 -0.059 -1.770) 2.099 13.202 ( -1.248 0.539 2.831) 3.141 13.293 ( -0.296 0.317 2.974) 3.006 13.356 ( 0.197 -0.023 -0.115) 0.230 13.509 ( -1.057 -0.908 0.791) 1.602 13.560 ( -1.044 -0.133 -0.699) 1.263 13.612 ( 1.059 -2.170 -0.843) 2.558 13.639 ( -1.050 -2.519 0.983) 2.901 13.794 ( -0.414 -0.583 0.911) 1.158 13.811 ( 0.143 -0.232 -1.338) 1.366 13.849 ( 0.459 -0.455 1.515) 1.647 13.873 ( 0.854 0.201 -0.551) 1.036 ======================= Grid point 145 (77/88) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 4.341 13.430 14.372) 20.143 2.262 ( -5.753 11.531 21.342) 24.930 2.379 ( -1.630 8.164 -9.990) 13.004 2.622 ( 3.687 3.447 -13.253) 14.181 2.776 ( 2.375 -1.010 2.050) 3.296 2.851 ( -0.146 -2.612 -5.579) 6.162 3.103 ( -0.763 -1.146 2.207) 2.601 3.113 ( -5.851 -2.112 7.842) 10.010 3.136 ( 0.903 0.176 4.016) 4.120 3.270 ( 3.422 -1.250 2.531) 4.436 3.425 ( -1.997 -0.973 0.169) 2.228 3.487 ( 1.759 -3.337 -2.607) 4.585 3.593 ( -0.786 5.334 11.477) 12.680 3.657 ( 0.997 1.770 7.860) 8.119 3.684 ( -0.834 3.951 4.998) 6.425 3.716 ( 0.056 3.708 0.819) 3.798 3.862 ( 0.395 9.270 6.281) 11.205 3.913 ( -3.294 6.724 6.111) 9.664 3.992 ( -0.445 4.420 -2.332) 5.017 4.017 ( -1.130 8.803 -2.439) 9.204 4.136 ( 1.297 15.224 10.047) 18.286 4.237 ( -1.279 10.384 6.640) 12.392 4.328 ( -4.255 8.688 0.575) 9.691 4.385 ( -1.094 10.554 -2.053) 10.807 4.966 ( 2.599 1.762 4.048) 5.123 5.080 ( -2.586 6.059 -8.197) 10.516 5.432 ( -5.466 -6.837 8.165) 11.970 5.580 ( 0.956 -3.632 -3.903) 5.416 6.105 ( 1.391 -1.307 2.986) 3.544 6.235 ( -3.544 -3.428 -2.150) 5.379 6.302 ( 6.030 1.476 -8.625) 10.627 6.369 ( 1.615 -5.141 -10.328) 11.650 6.887 ( -0.394 2.744 7.013) 7.541 7.060 ( 1.026 2.664 -10.115) 10.511 7.464 ( 1.372 -8.172 5.282) 9.826 7.580 ( -0.114 -8.359 -6.374) 10.512 7.926 ( 1.721 -0.640 3.031) 3.544 8.006 ( -3.363 -2.971 -3.548) 5.721 8.145 ( -1.658 -1.570 -0.488) 2.335 8.212 ( 4.587 -3.020 -5.883) 8.048 9.758 ( 0.720 -4.035 1.888) 4.513 9.762 ( -0.075 -3.954 1.450) 4.213 9.905 ( -0.245 -2.639 1.425) 3.009 9.913 ( -1.464 -2.852 0.775) 3.298 10.168 ( 1.908 3.954 -0.217) 4.396 10.199 ( -1.022 4.846 -3.188) 5.890 10.406 ( 1.497 -2.483 0.912) 3.039 10.447 ( -2.251 -1.678 -3.004) 4.112 10.751 ( 0.558 2.415 1.899) 3.122 10.789 ( -0.512 2.531 -2.184) 3.382 10.922 ( 0.854 -2.962 2.224) 3.801 10.961 ( -0.924 -2.436 -1.633) 3.075 11.504 ( -3.318 0.514 8.354) 9.004 11.587 ( 0.455 -1.794 6.546) 6.803 11.669 ( 2.435 0.929 -3.726) 4.547 11.770 ( 0.385 -1.855 -7.168) 7.414 12.573 ( 0.818 -0.058 -1.483) 1.695 12.585 ( 0.843 -0.366 -1.478) 1.740 12.599 ( 0.313 -0.129 -4.106) 4.120 12.607 ( 0.360 -0.315 -3.672) 3.703 13.191 ( -1.957 1.186 2.057) 3.077 13.215 ( 1.505 0.050 -0.047) 1.507 13.311 ( 0.491 0.185 1.665) 1.746 13.336 ( -0.921 -0.597 -0.563) 1.234 13.504 ( 0.022 -1.574 0.622) 1.692 13.509 ( -0.137 -1.058 0.019) 1.068 13.563 ( -1.640 -3.057 1.365) 3.728 13.585 ( 1.486 -2.680 -0.878) 3.188 13.777 ( -0.729 0.120 1.542) 1.709 13.814 ( 0.655 0.667 -2.176) 2.369 13.853 ( -0.182 -0.431 1.858) 1.916 13.882 ( 0.424 -0.228 -1.075) 1.178 ======================= Grid point 146 (78/88) ======================= q-point: ( 0.17 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -5.161 10.318 16.771) 20.356 2.298 ( 4.836 11.215 5.663) 13.462 2.344 ( 3.909 9.970 -6.046) 12.297 2.554 ( -5.609 2.103 -3.784) 7.085 2.751 ( -0.918 4.401 -10.661) 11.571 2.875 ( -1.368 -3.770 0.174) 4.015 2.963 ( -7.064 -2.020 2.724) 7.835 3.109 ( 0.172 -0.235 2.978) 2.992 3.210 ( 1.168 1.933 4.311) 4.867 3.275 ( -6.055 -3.963 5.633) 9.171 3.422 ( 4.105 0.729 -3.929) 5.729 3.489 ( -0.122 -1.776 2.796) 3.315 3.589 ( -4.364 2.518 3.368) 6.060 3.634 ( -0.876 -0.119 4.024) 4.120 3.677 ( -2.361 4.592 1.159) 5.292 3.770 ( -1.732 4.358 2.639) 5.381 3.838 ( -0.714 4.263 7.848) 8.959 3.921 ( 0.056 10.400 3.888) 11.103 3.963 ( -3.202 7.446 -2.020) 8.353 4.000 ( 0.096 4.119 3.256) 5.251 4.204 ( 0.282 10.572 2.833) 10.949 4.267 ( 4.650 13.561 9.186) 17.027 4.302 ( 2.062 7.296 7.987) 11.012 4.496 ( 8.927 12.089 0.850) 15.052 4.985 ( -0.891 2.446 2.038) 3.306 5.027 ( -0.798 8.959 -6.473) 11.082 5.299 ( -11.928 -1.471 11.568) 16.681 5.575 ( 0.533 -6.221 -1.819) 6.504 6.074 ( -5.479 0.480 2.665) 6.112 6.209 ( 1.599 -6.631 -2.530) 7.275 6.314 ( 0.981 -4.410 -11.692) 12.535 6.400 ( 3.583 -4.047 -7.464) 9.216 6.958 ( 4.141 2.574 4.881) 6.899 7.071 ( 4.596 1.750 -7.002) 8.556 7.466 ( -2.918 -8.596 0.807) 9.114 7.556 ( 0.310 -6.466 -4.471) 7.867 7.929 ( -1.468 -0.294 -1.954) 2.461 8.008 ( 3.090 -0.621 3.357) 4.604 8.102 ( -1.839 -1.116 -1.059) 2.398 8.286 ( 5.093 -4.358 -6.958) 9.662 9.750 ( -1.296 -3.295 0.962) 3.669 9.770 ( -0.520 -4.152 0.405) 4.204 9.872 ( -1.447 -2.601 2.251) 3.732 9.930 ( 0.405 -3.384 1.348) 3.665 10.159 ( -0.304 5.018 -3.091) 5.902 10.200 ( 0.188 4.153 -0.501) 4.187 10.426 ( 1.656 -2.327 -1.959) 3.463 10.450 ( 1.762 -2.369 2.167) 3.662 10.751 ( -0.264 1.952 0.233) 1.984 10.809 ( 2.454 2.500 -0.167) 3.507 10.923 ( -1.292 -2.957 -0.380) 3.249 10.959 ( 0.984 -2.109 0.648) 2.416 11.470 ( -3.731 1.340 8.033) 8.957 11.610 ( -1.248 -2.627 7.497) 8.041 11.691 ( 1.776 0.222 -5.137) 5.440 11.735 ( -0.537 -1.012 -7.895) 7.978 12.579 ( 0.384 -0.129 -2.072) 2.111 12.587 ( 0.217 -0.104 -3.394) 3.403 12.595 ( 0.950 -0.252 -1.827) 2.074 12.599 ( 0.511 -0.213 -3.384) 3.429 13.163 ( -1.549 1.596 2.106) 3.063 13.238 ( 0.531 -0.620 -0.086) 0.821 13.321 ( 0.009 -0.106 0.726) 0.734 13.333 ( 0.453 0.082 0.736) 0.868 13.485 ( -0.555 -2.042 0.402) 2.154 13.534 ( 0.355 -1.899 0.237) 1.946 13.538 ( -0.627 -2.265 1.189) 2.634 13.604 ( 0.745 -2.464 -0.639) 2.652 13.773 ( -0.366 0.028 1.704) 1.744 13.820 ( 0.806 0.473 -1.811) 2.038 13.851 ( -0.756 -0.306 1.283) 1.520 13.880 ( -0.045 -0.116 -1.435) 1.440 ======================= Grid point 147 (79/88) ======================= q-point: ( 0.33 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -3.364 6.951 11.253) 13.648 2.336 ( 2.450 7.987 -7.490) 11.221 2.418 ( 0.812 8.118 6.854) 10.655 2.525 ( 5.033 9.804 -1.286) 11.095 2.659 ( -6.155 8.876 -2.267) 11.037 2.756 ( -8.067 1.896 -3.983) 9.194 2.859 ( -4.288 2.710 -2.639) 5.718 3.038 ( -9.435 -3.493 0.215) 10.063 3.190 ( 2.170 1.996 4.660) 5.515 3.303 ( 2.552 0.999 3.418) 4.381 3.465 ( -4.989 0.963 -2.867) 5.834 3.500 ( -1.216 0.050 4.881) 5.030 3.543 ( 3.643 -0.450 5.768) 6.837 3.601 ( -1.574 -3.290 7.615) 8.443 3.680 ( -6.366 4.562 2.015) 8.087 3.710 ( 2.051 2.073 2.618) 3.920 3.862 ( 0.439 6.653 1.328) 6.798 3.923 ( -2.233 9.046 2.159) 9.564 3.925 ( 1.793 5.536 -0.528) 5.843 4.001 ( -2.120 5.132 3.566) 6.599 4.248 ( 2.949 9.763 3.362) 10.739 4.349 ( 0.522 9.240 4.097) 10.121 4.472 ( 7.950 6.263 11.300) 15.170 4.653 ( 5.549 5.634 2.953) 8.441 4.925 ( -10.719 9.030 14.918) 20.469 5.009 ( 5.830 7.564 -17.379) 19.830 5.156 ( -6.572 0.740 14.472) 15.911 5.582 ( 1.989 -8.104 -8.028) 11.579 5.984 ( -4.599 -0.455 4.126) 6.195 6.225 ( 1.215 -7.569 -3.754) 8.536 6.268 ( -1.162 -5.067 -7.793) 9.368 6.418 ( 2.112 -5.937 -8.265) 10.392 7.040 ( 2.797 -0.454 3.079) 4.184 7.182 ( 7.786 3.931 -4.183) 9.674 7.394 ( -4.054 -8.073 0.499) 9.048 7.531 ( -0.950 -4.435 -5.134) 6.851 7.917 ( 1.233 1.434 -1.884) 2.669 8.032 ( -1.848 2.834 -1.836) 3.849 8.114 ( 2.650 -3.528 4.905) 6.597 8.332 ( 2.831 -4.599 -7.984) 9.639 9.727 ( -1.468 -2.788 1.422) 3.456 9.744 ( -1.962 -3.503 0.593) 4.058 9.880 ( 0.931 -3.654 1.977) 4.257 9.931 ( -0.444 -3.826 0.281) 3.862 10.157 ( 1.124 5.199 -2.740) 5.983 10.184 ( -1.107 4.631 -0.787) 4.826 10.476 ( 2.130 -2.811 0.393) 3.549 10.479 ( 1.489 -2.476 0.604) 2.952 10.764 ( 1.506 0.854 0.921) 1.961 10.863 ( 2.709 1.641 0.685) 3.240 10.892 ( -1.436 -2.398 -1.139) 3.018 10.971 ( -0.198 -1.290 -0.036) 1.306 11.440 ( -2.849 1.846 8.850) 9.479 11.602 ( -3.065 -2.819 8.579) 9.536 11.673 ( -0.994 0.224 -7.522) 7.591 11.715 ( 2.317 -0.980 -7.655) 8.058 12.571 ( 0.162 0.026 -2.937) 2.941 12.577 ( 0.053 -0.092 -2.998) 3.000 12.601 ( 0.779 -0.211 -2.151) 2.297 12.606 ( 1.089 -0.251 -2.556) 2.790 13.154 ( -0.367 1.570 2.422) 2.910 13.230 ( -1.059 -0.684 -0.455) 1.341 13.329 ( 0.176 0.141 1.254) 1.274 13.342 ( 0.349 0.223 0.233) 0.475 13.490 ( 0.528 -2.211 0.725) 2.386 13.519 ( -0.630 -2.760 0.492) 2.873 13.557 ( 0.789 -2.079 0.725) 2.339 13.607 ( -0.205 -2.552 -0.540) 2.616 13.778 ( 0.173 -0.022 1.860) 1.868 13.827 ( 0.114 -0.084 -0.020) 0.143 13.838 ( -0.417 0.317 -0.553) 0.762 13.869 ( -0.436 0.169 -1.736) 1.798 ======================= Grid point 148 (80/88) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -5.934 9.470 14.133) 18.017 2.416 ( -2.940 8.633 1.645) 9.267 2.443 ( -2.549 9.787 2.622) 10.448 2.460 ( -0.184 7.200 -9.677) 12.063 2.604 ( 5.608 8.972 2.481) 10.868 2.726 ( -1.646 6.398 -5.323) 8.484 2.768 ( 0.942 3.637 7.161) 8.086 2.914 ( -1.963 1.945 -5.877) 6.495 3.252 ( -0.330 -2.093 6.835) 7.156 3.286 ( -5.021 -0.190 5.320) 7.317 3.418 ( -0.436 4.859 3.406) 5.950 3.467 ( 0.614 0.132 -2.484) 2.562 3.595 ( -1.331 4.751 7.225) 8.749 3.656 ( 2.063 -4.655 5.467) 7.471 3.659 ( 2.874 -0.001 3.125) 4.246 3.719 ( -2.557 -2.508 0.902) 3.693 3.870 ( -0.360 8.450 1.643) 8.616 3.891 ( -2.835 3.836 3.161) 5.723 3.951 ( -2.080 9.398 -0.094) 9.626 3.980 ( 3.415 5.492 0.251) 6.472 4.316 ( -1.482 9.378 4.123) 10.351 4.322 ( -2.350 11.462 3.881) 12.328 4.593 ( -0.575 4.436 16.787) 17.373 4.725 ( 0.944 1.082 1.240) 1.897 4.763 ( -10.494 8.863 7.098) 15.462 5.086 ( 10.102 6.125 -19.662) 22.938 5.191 ( 1.831 -0.859 20.697) 20.796 5.567 ( 1.338 -6.089 -15.865) 17.046 5.949 ( -1.467 -2.117 7.516) 7.945 6.196 ( 0.431 -4.630 -15.065) 15.766 6.257 ( 0.669 -6.432 5.353) 8.395 6.420 ( 2.130 -6.499 -9.764) 11.921 7.095 ( 0.536 -0.416 5.630) 5.671 7.223 ( -2.399 1.958 -6.983) 7.639 7.377 ( 1.561 -5.012 4.138) 6.684 7.493 ( 0.749 -3.625 -7.460) 8.328 7.948 ( 1.135 0.990 -0.483) 1.582 7.983 ( -0.379 3.138 -3.809) 4.950 8.176 ( 0.776 -3.029 6.050) 6.810 8.324 ( 0.064 -4.391 -8.753) 9.793 9.711 ( -1.031 -2.609 2.457) 3.729 9.715 ( -1.205 -3.480 1.770) 4.086 9.907 ( 0.637 -4.152 0.885) 4.293 9.927 ( 0.704 -4.162 -1.032) 4.346 10.153 ( -0.960 5.448 -0.426) 5.548 10.178 ( 1.378 4.881 -2.738) 5.764 10.477 ( -1.212 -2.342 2.294) 3.496 10.525 ( 2.198 -2.602 -2.543) 4.250 10.810 ( 1.937 -0.854 2.066) 2.958 10.839 ( -2.595 -1.870 -0.625) 3.259 10.928 ( 2.640 0.656 0.368) 2.745 10.946 ( -1.856 0.254 -1.601) 2.464 11.445 ( -0.762 1.405 10.159) 10.284 11.573 ( -3.573 -2.343 8.848) 9.825 11.625 ( -0.192 1.222 -8.114) 8.208 11.736 ( 2.989 -1.938 -7.404) 8.216 12.564 ( 0.302 0.011 -2.458) 2.477 12.567 ( 0.304 -0.005 -2.750) 2.767 12.607 ( 0.808 -0.210 -2.409) 2.550 12.614 ( 0.952 -0.323 -3.047) 3.209 13.167 ( 0.423 1.166 2.835) 3.095 13.205 ( -1.045 -0.107 -0.655) 1.238 13.335 ( -0.137 0.473 1.020) 1.133 13.347 ( 0.163 -0.078 0.002) 0.181 13.503 ( 0.391 -2.179 0.773) 2.344 13.512 ( -0.210 -2.391 -0.086) 2.402 13.574 ( 0.491 -2.929 1.337) 3.257 13.593 ( -0.871 -2.752 -0.612) 2.951 13.794 ( 0.612 -0.210 1.944) 2.049 13.815 ( -1.120 0.143 1.278) 1.705 13.840 ( 0.399 0.184 -1.789) 1.842 13.853 ( -0.037 0.595 -1.670) 1.773 ======================= Grid point 149 (81/88) ======================= q-point: (-0.33 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -7.504 12.521 14.529) 20.596 2.241 ( -6.146 14.610 14.681) 21.605 2.432 ( 2.886 5.918 -10.167) 12.113 2.587 ( -2.438 6.537 -5.359) 8.798 2.620 ( 5.701 4.342 6.337) 9.566 2.790 ( 7.129 5.897 -2.295) 9.532 2.837 ( 5.793 5.693 -2.824) 8.599 2.974 ( 7.351 1.189 6.155) 9.661 3.168 ( -6.471 -3.253 5.285) 8.966 3.277 ( -2.575 -0.996 8.212) 8.663 3.425 ( 2.240 -0.577 -0.111) 2.316 3.502 ( -0.613 2.669 1.181) 2.982 3.627 ( -2.855 3.395 3.903) 5.908 3.638 ( -1.692 -1.948 2.884) 3.870 3.695 ( 1.486 0.867 3.029) 3.484 3.712 ( 1.026 3.575 0.963) 3.842 3.794 ( -7.002 2.671 9.977) 12.478 3.883 ( 0.966 5.185 0.041) 5.274 3.972 ( 2.773 9.497 -2.051) 10.104 4.031 ( 1.113 6.217 -0.115) 6.317 4.192 ( -8.028 14.239 6.769) 17.692 4.342 ( -1.387 10.352 5.127) 11.636 4.558 ( -12.191 10.028 8.343) 17.854 4.666 ( -2.719 0.136 0.053) 2.723 4.718 ( 2.515 3.822 6.673) 8.091 5.187 ( 4.779 -1.759 -6.500) 8.257 5.355 ( 7.053 -2.895 10.739) 13.170 5.506 ( 0.899 -1.244 -19.008) 19.070 5.985 ( 1.520 -2.866 7.470) 8.144 6.162 ( 2.186 -2.298 -10.584) 11.049 6.302 ( 1.698 -5.049 1.673) 5.583 6.417 ( 1.890 -6.078 -10.798) 12.534 7.055 ( -7.191 1.209 2.794) 7.809 7.149 ( -1.626 3.438 -2.468) 4.534 7.392 ( -0.403 -5.449 0.915) 5.540 7.530 ( 4.607 -5.497 -5.005) 8.746 7.917 ( -1.392 0.886 -2.081) 2.656 8.029 ( 3.901 0.917 -1.088) 4.152 8.180 ( -2.583 -3.548 2.800) 5.205 8.274 ( -1.429 -3.420 -6.785) 7.732 9.709 ( -0.101 -3.695 2.774) 4.622 9.719 ( 0.298 -3.053 3.063) 4.335 9.905 ( -0.319 -3.625 -0.836) 3.734 9.947 ( 0.991 -4.269 -0.511) 4.412 10.135 ( -0.514 5.121 -0.659) 5.189 10.197 ( 1.618 5.072 -2.182) 5.754 10.450 ( -2.311 -2.631 1.067) 3.660 10.539 ( 0.439 -1.959 -3.277) 3.843 10.772 ( -3.006 0.190 0.216) 3.020 10.858 ( 0.510 -2.001 1.913) 2.815 10.891 ( -1.715 1.123 -2.151) 2.971 10.973 ( 1.385 -0.830 0.045) 1.615 11.488 ( 0.530 0.233 10.239) 10.255 11.546 ( -2.999 -1.411 8.449) 9.075 11.608 ( 1.819 1.907 -6.823) 7.314 11.762 ( 2.824 -2.499 -7.053) 7.998 12.561 ( 0.461 0.062 -2.170) 2.219 12.568 ( 0.704 -0.150 -2.023) 2.148 12.610 ( 0.732 -0.235 -3.117) 3.211 12.616 ( 0.740 -0.372 -3.414) 3.513 13.180 ( -0.125 0.266 0.852) 0.902 13.200 ( 0.500 0.421 1.535) 1.669 13.327 ( -1.108 1.174 0.788) 1.796 13.352 ( 0.380 0.020 -0.173) 0.418 13.496 ( -0.850 -1.863 -0.007) 2.047 13.523 ( 0.963 -2.850 0.253) 3.019 13.568 ( -1.029 -2.600 -0.356) 2.819 13.587 ( -0.084 -3.159 1.313) 3.422 13.797 ( -0.818 0.081 1.000) 1.295 13.820 ( 0.730 -0.002 1.516) 1.683 13.828 ( -0.416 0.525 -1.342) 1.500 13.861 ( 0.938 0.125 -1.029) 1.398 ======================= Grid point 150 (82/88) ======================= q-point: (-0.17 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -2.683 14.113 14.160) 20.172 2.256 ( -3.101 12.317 21.526) 24.994 2.447 ( -0.924 5.193 -4.941) 7.228 2.553 ( 5.957 8.047 -11.993) 15.623 2.719 ( 2.474 3.285 0.394) 4.131 2.864 ( 3.982 -2.021 -3.409) 5.618 3.003 ( 6.017 1.395 0.277) 6.182 3.098 ( -0.409 0.031 4.320) 4.340 3.147 ( 5.905 0.237 10.356) 11.923 3.248 ( -5.523 -4.622 7.806) 10.621 3.452 ( 0.348 -0.320 -6.922) 6.938 3.509 ( 1.345 7.294 8.348) 11.166 3.520 ( -3.267 -4.912 0.459) 5.918 3.611 ( -3.898 5.390 8.747) 10.989 3.708 ( -1.881 2.817 2.392) 4.146 3.743 ( -0.540 3.113 3.611) 4.799 3.811 ( 2.797 6.967 8.651) 11.455 3.897 ( -0.321 3.618 3.909) 5.336 4.002 ( 1.309 8.398 -2.653) 8.904 4.030 ( 0.334 8.009 -1.854) 8.227 4.115 ( -2.907 14.375 6.520) 16.050 4.334 ( -1.621 11.228 4.691) 12.276 4.349 ( -11.295 11.048 6.088) 16.932 4.537 ( -7.577 2.096 -5.666) 9.691 4.856 ( 5.774 3.075 7.989) 10.326 5.175 ( -3.004 -0.164 -5.537) 6.301 5.457 ( 0.017 -5.061 0.869) 5.135 5.528 ( 6.881 -3.181 -6.537) 10.010 6.050 ( 2.568 -2.112 3.212) 4.623 6.202 ( 5.456 0.224 -5.268) 7.588 6.307 ( -1.435 -2.556 -2.302) 3.728 6.398 ( 0.873 -5.189 -10.829) 12.040 6.928 ( -6.289 2.236 4.867) 8.261 7.102 ( -1.158 4.931 -7.354) 8.930 7.411 ( 1.377 -7.991 4.316) 9.186 7.583 ( 2.640 -7.615 -4.999) 9.484 7.900 ( 0.267 0.247 -0.342) 0.499 8.085 ( -1.461 -4.453 2.257) 5.202 8.125 ( 1.357 -0.936 -6.900) 7.094 8.221 ( -2.113 -2.343 -2.321) 3.917 9.730 ( 0.882 -3.985 2.780) 4.939 9.745 ( 0.864 -3.687 2.739) 4.674 9.897 ( -0.084 -2.633 -0.284) 2.650 9.947 ( -1.074 -3.850 0.110) 3.999 10.136 ( 1.121 4.543 -0.914) 4.768 10.215 ( 0.834 5.006 -1.982) 5.449 10.407 ( -1.797 -2.690 -0.034) 3.236 10.508 ( -2.072 -1.907 -3.569) 4.546 10.739 ( -0.613 1.842 1.309) 2.341 10.825 ( -2.025 2.605 -1.603) 3.668 10.897 ( 0.856 -3.161 1.470) 3.590 10.981 ( -0.310 -1.929 -0.869) 2.138 11.525 ( -2.700 -0.325 9.618) 9.995 11.544 ( 0.839 -0.922 6.896) 7.008 11.633 ( 2.927 1.691 -4.485) 5.616 11.778 ( 1.801 -2.438 -6.906) 7.542 12.564 ( 0.716 0.045 -1.761) 1.902 12.575 ( 0.836 -0.314 -1.584) 1.818 12.608 ( 0.535 -0.228 -3.841) 3.885 12.614 ( 0.537 -0.370 -3.578) 3.637 13.188 ( 0.904 0.264 -0.027) 0.942 13.211 ( -0.583 0.298 2.337) 2.428 13.308 ( -0.900 1.124 0.998) 1.752 13.353 ( -0.339 -0.171 -0.414) 0.562 13.487 ( 0.152 -1.295 0.262) 1.330 13.533 ( -0.862 -2.280 0.388) 2.468 13.560 ( 1.133 -2.834 -0.985) 3.207 13.583 ( -0.994 -3.075 1.460) 3.546 13.786 ( -0.822 0.192 1.271) 1.525 13.815 ( 0.166 0.737 -2.258) 2.381 13.842 ( 0.407 -0.329 2.199) 2.261 13.874 ( 0.789 -0.157 -0.871) 1.186 ======================= Grid point 151 (83/88) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 1.793 8.552 11.134) 14.154 2.446 ( -2.627 2.399 12.649) 13.140 2.516 ( -1.273 6.238 -5.583) 8.467 2.608 ( -0.615 -3.240 -2.853) 4.361 2.801 ( -0.601 2.610 -2.860) 3.919 2.845 ( 2.761 6.250 -6.066) 9.137 2.983 ( -3.013 -9.968 2.609) 10.736 3.021 ( -0.310 -7.510 -0.639) 7.543 3.155 ( 0.120 1.745 10.743) 10.884 3.202 ( -0.293 -3.163 9.467) 9.986 3.423 ( 2.629 0.625 -3.750) 4.622 3.441 ( 2.675 -1.112 -5.881) 6.556 3.652 ( -3.969 2.150 9.663) 10.665 3.680 ( -5.210 -0.373 8.047) 9.594 3.764 ( 0.422 3.083 4.722) 5.655 3.786 ( 2.266 1.262 2.673) 3.724 3.985 ( 0.075 4.682 5.082) 6.910 4.023 ( 2.389 1.614 4.926) 5.708 4.073 ( -3.466 3.739 -3.647) 6.268 4.111 ( -2.391 0.809 -3.254) 4.118 4.377 ( -1.016 7.124 4.706) 8.598 4.415 ( -4.806 2.831 1.232) 5.713 4.559 ( -1.284 15.551 11.014) 19.099 4.647 ( 3.096 9.624 1.193) 10.180 4.991 ( -0.451 1.425 14.158) 14.237 5.115 ( -1.252 -7.334 15.804) 17.467 5.375 ( 0.274 5.737 -15.082) 16.138 5.505 ( 3.399 -4.726 -15.019) 16.107 6.073 ( -0.472 -0.371 3.638) 3.687 6.135 ( -2.827 -5.814 -0.719) 6.504 6.296 ( 0.947 -0.826 -8.999) 9.086 6.309 ( 3.404 -1.525 -8.718) 9.482 7.003 ( -0.530 8.546 5.817) 10.351 7.124 ( -2.408 1.041 -4.772) 5.445 7.305 ( 2.730 -4.644 1.310) 5.544 7.395 ( 0.766 -9.427 -6.426) 11.434 7.924 ( 0.618 0.593 1.635) 1.846 7.953 ( -1.066 -2.226 -0.430) 2.506 8.128 ( 0.093 0.138 -3.308) 3.312 8.155 ( 2.265 -2.409 -5.208) 6.169 9.698 ( 0.529 -1.562 2.121) 2.687 9.702 ( 0.152 -1.841 1.809) 2.586 9.865 ( -0.992 -1.117 1.069) 1.837 9.868 ( -0.515 -1.396 0.797) 1.688 10.256 ( 1.698 4.707 0.702) 5.053 10.301 ( -1.299 5.163 -3.597) 6.425 10.343 ( 1.502 -3.850 1.068) 4.268 10.392 ( -1.866 -3.810 -3.690) 5.623 10.802 ( 0.648 2.745 2.090) 3.510 10.842 ( -0.873 2.266 -1.846) 3.050 10.863 ( 1.028 -2.357 1.951) 3.228 10.906 ( -0.816 -3.027 -2.129) 3.790 11.521 ( -2.325 1.209 8.560) 8.952 11.551 ( -1.032 -1.761 8.195) 8.445 11.694 ( 1.991 1.593 -5.745) 6.285 11.731 ( 1.198 -2.021 -6.711) 7.110 12.573 ( 0.729 0.117 -1.449) 1.626 12.577 ( 0.782 -0.338 -1.469) 1.699 12.598 ( 0.432 0.061 -3.924) 3.948 12.601 ( 0.446 -0.244 -3.783) 3.817 13.209 ( -0.712 0.605 1.455) 1.729 13.215 ( 0.510 -0.059 0.991) 1.116 13.319 ( -0.148 0.526 0.580) 0.797 13.328 ( -0.694 -0.349 -0.191) 0.800 13.479 ( -1.404 -0.250 1.272) 1.911 13.496 ( 0.409 -0.754 0.161) 0.873 13.508 ( -0.510 -1.338 0.533) 1.528 13.531 ( 1.538 -2.429 -1.143) 3.094 13.797 ( -0.707 1.556 1.955) 2.597 13.823 ( -0.236 -0.620 0.522) 0.844 13.850 ( 0.424 0.742 -0.524) 1.003 13.871 ( 0.536 -0.921 -1.416) 1.772 ======================= Grid point 152 (84/88) ======================= q-point: ( 0.17 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -3.027 6.756 11.735) 13.875 2.459 ( -0.451 4.512 1.275) 4.710 2.510 ( 3.301 2.413 1.933) 4.523 2.566 ( -2.387 0.415 -0.680) 2.517 2.775 ( -1.077 0.357 -1.576) 1.942 2.858 ( 0.506 3.605 -6.299) 7.275 2.923 ( -3.195 -2.578 3.291) 5.262 3.023 ( -0.251 -7.196 0.522) 7.219 3.215 ( -2.008 -1.084 8.131) 8.445 3.223 ( 1.778 -1.117 9.615) 9.842 3.412 ( 0.163 0.289 -7.581) 7.589 3.441 ( 0.497 -2.104 -5.777) 6.168 3.628 ( -3.746 1.600 7.364) 8.415 3.644 ( -2.462 0.152 7.702) 8.087 3.777 ( -1.923 4.160 3.224) 5.603 3.818 ( -1.194 0.207 3.430) 3.638 3.939 ( -3.445 4.991 4.637) 7.634 4.002 ( -5.053 -0.662 1.027) 5.199 4.069 ( 0.477 2.520 2.951) 3.910 4.073 ( 1.694 2.117 0.345) 2.733 4.387 ( 0.247 5.944 4.540) 7.484 4.414 ( 1.528 3.322 7.521) 8.363 4.620 ( 3.318 16.641 5.802) 17.933 4.726 ( 4.468 7.795 -0.836) 9.024 5.027 ( -1.484 2.302 14.030) 14.295 5.156 ( -1.004 -7.220 12.079) 14.108 5.294 ( -2.060 10.450 -15.182) 18.546 5.466 ( -0.955 -5.281 -12.986) 14.051 6.054 ( -4.578 -2.146 4.413) 6.711 6.072 ( -1.528 -5.343 0.706) 5.602 6.257 ( -0.595 0.044 -9.560) 9.579 6.312 ( 0.697 -4.506 -8.139) 9.329 7.035 ( 0.558 5.332 4.807) 7.201 7.119 ( 2.820 0.125 1.860) 3.381 7.325 ( 0.336 -2.502 -4.266) 4.957 7.410 ( 2.953 -7.673 -5.804) 10.064 7.936 ( 0.494 1.172 -0.043) 1.273 7.973 ( 2.550 -2.358 1.787) 3.906 8.117 ( 0.447 2.593 -3.682) 4.526 8.192 ( 3.504 -4.663 -5.697) 8.153 9.701 ( -0.758 -1.334 0.877) 1.767 9.706 ( -0.476 -1.912 0.932) 2.179 9.844 ( -1.251 -0.125 1.712) 2.124 9.868 ( -0.386 -2.464 1.261) 2.794 10.264 ( -0.195 5.218 -2.984) 6.015 10.290 ( 0.235 4.478 0.078) 4.485 10.365 ( 1.248 -3.713 -2.158) 4.472 10.386 ( 1.696 -3.931 1.797) 4.643 10.797 ( -0.899 2.699 0.129) 2.848 10.849 ( 0.221 -0.622 0.781) 1.023 10.871 ( 0.744 -0.033 -0.896) 1.165 10.913 ( 1.648 -2.461 0.147) 2.965 11.506 ( -2.960 2.218 8.340) 9.124 11.556 ( -2.121 -2.770 8.264) 8.970 11.699 ( 1.189 0.610 -6.430) 6.568 11.715 ( 0.322 -0.979 -7.299) 7.371 12.578 ( 0.418 0.106 -1.947) 1.994 12.583 ( 0.336 -0.312 -2.316) 2.361 12.593 ( 0.839 0.039 -3.044) 3.158 12.595 ( 0.653 -0.157 -3.417) 3.482 13.195 ( -1.028 1.539 1.214) 2.214 13.221 ( -0.295 -1.065 0.651) 1.283 13.325 ( 0.379 0.452 0.994) 1.156 13.333 ( 0.595 -0.204 0.868) 1.072 13.458 ( -0.969 -0.296 0.979) 1.409 13.479 ( -1.300 -2.316 1.135) 2.888 13.522 ( 0.882 0.196 -0.662) 1.120 13.550 ( 0.857 -2.487 -1.105) 2.853 13.793 ( -0.568 1.585 2.149) 2.730 13.820 ( -0.390 -0.888 1.090) 1.459 13.853 ( 0.307 0.852 -1.253) 1.546 13.872 ( 0.268 -0.766 -1.733) 1.913 ======================= Grid point 153 (85/88) ======================= q-point: ( 0.33 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -3.874 8.495 10.930) 14.375 2.465 ( 1.169 4.018 0.347) 4.199 2.520 ( -0.805 0.599 0.927) 1.366 2.592 ( 1.387 -3.789 2.260) 4.625 2.750 ( -0.480 3.734 -1.136) 3.932 2.821 ( -2.215 2.602 1.329) 3.667 2.899 ( 0.482 3.007 -3.807) 4.876 2.973 ( -4.955 -1.653 -1.105) 5.339 3.209 ( -1.272 0.163 7.090) 7.205 3.277 ( -0.644 -5.426 6.640) 8.599 3.420 ( 3.509 0.141 -4.120) 5.414 3.470 ( 3.125 -4.179 -0.538) 5.246 3.553 ( -5.057 3.224 3.019) 6.714 3.590 ( -5.249 -0.086 7.418) 9.087 3.744 ( -4.133 2.038 3.432) 5.746 3.756 ( -3.824 1.221 3.121) 5.085 3.941 ( -0.155 2.059 5.086) 5.490 3.958 ( -0.690 0.393 2.914) 3.021 4.088 ( 0.411 3.868 1.086) 4.039 4.101 ( 0.641 3.038 0.326) 3.122 4.441 ( 2.914 6.977 6.002) 9.654 4.487 ( 2.544 2.168 7.833) 8.516 4.705 ( 3.344 14.016 0.227) 14.411 4.779 ( 0.234 5.807 2.444) 6.305 5.069 ( -0.288 2.953 12.266) 12.620 5.112 ( -8.929 -0.581 10.658) 13.916 5.228 ( 2.637 8.519 -15.901) 18.231 5.390 ( -0.834 -9.402 -8.632) 12.791 5.986 ( -3.386 0.860 3.165) 4.714 6.066 ( -0.071 -7.354 3.170) 8.008 6.201 ( -0.681 0.061 -10.659) 10.681 6.283 ( 0.566 -6.870 -9.127) 11.438 7.073 ( 1.293 4.222 5.669) 7.185 7.195 ( 1.797 -6.617 6.300) 9.311 7.316 ( 2.079 4.413 -8.181) 9.525 7.429 ( 1.586 -5.805 -6.875) 9.137 7.957 ( 1.546 2.835 0.472) 3.264 8.029 ( 1.576 -4.175 2.354) 5.045 8.114 ( 1.079 4.873 -3.789) 6.266 8.224 ( 2.244 -5.908 -6.561) 9.110 9.685 ( -1.209 -1.119 1.285) 2.089 9.690 ( -1.496 -1.626 1.266) 2.546 9.837 ( -0.036 -0.432 1.150) 1.229 9.862 ( -0.509 -2.727 0.363) 2.798 10.262 ( 1.176 4.830 -2.780) 5.695 10.278 ( -0.837 4.003 -0.565) 4.129 10.407 ( 2.828 -3.347 -0.780) 4.451 10.417 ( 0.620 -3.572 1.880) 4.084 10.790 ( 0.110 1.779 0.261) 1.801 10.834 ( -1.127 -2.555 -0.102) 2.795 10.906 ( 2.149 1.899 0.034) 2.868 10.942 ( 1.036 -1.674 0.085) 1.970 11.485 ( -2.834 2.652 8.915) 9.723 11.542 ( -2.937 -3.087 8.842) 9.815 11.681 ( 0.079 0.572 -7.618) 7.640 11.696 ( 1.253 -0.913 -7.671) 7.826 12.572 ( 0.149 0.098 -2.748) 2.753 12.574 ( 0.118 -0.144 -2.826) 2.832 12.599 ( 0.903 0.015 -2.527) 2.684 12.601 ( 1.030 -0.205 -2.663) 2.862 13.187 ( -0.369 1.625 1.376) 2.161 13.214 ( -0.657 -1.028 0.517) 1.325 13.335 ( 0.006 0.381 1.190) 1.249 13.342 ( -0.049 -0.269 0.832) 0.876 13.457 ( 0.353 -0.640 0.953) 1.201 13.470 ( -0.030 -1.818 0.868) 2.015 13.529 ( 0.152 -0.221 -0.413) 0.492 13.553 ( -0.074 -2.395 -1.023) 2.605 13.794 ( -0.309 1.256 2.334) 2.668 13.817 ( -0.648 -0.918 1.880) 2.190 13.852 ( 0.369 0.898 -2.079) 2.295 13.867 ( 0.047 -0.434 -2.056) 2.102 ======================= Grid point 154 (86/88) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -3.676 8.771 11.380) 14.831 2.485 ( -2.548 -3.829 8.584) 9.739 2.533 ( 2.624 4.109 -5.027) 7.003 2.576 ( -1.791 1.300 -0.069) 2.215 2.769 ( 2.148 5.011 3.182) 6.313 2.809 ( 0.034 0.877 2.259) 2.424 2.879 ( -1.522 7.600 -5.915) 9.749 2.913 ( 2.556 1.874 -5.133) 6.033 3.205 ( -3.661 -2.249 8.865) 9.852 3.243 ( -4.926 -5.516 7.742) 10.707 3.431 ( -4.628 -0.382 2.357) 5.207 3.477 ( 2.202 -2.297 -0.439) 3.212 3.565 ( -0.036 -1.348 4.887) 5.070 3.592 ( 4.365 -1.883 2.979) 5.610 3.689 ( -0.669 3.893 3.878) 5.536 3.727 ( -0.481 0.078 0.054) 0.490 3.937 ( -3.154 2.062 5.778) 6.898 3.957 ( -1.791 0.590 5.143) 5.477 4.098 ( 1.095 4.519 -1.099) 4.778 4.110 ( 0.946 3.757 -0.872) 3.972 4.532 ( 3.366 7.934 4.050) 9.523 4.552 ( 0.997 5.751 2.486) 6.344 4.714 ( -3.474 8.399 6.596) 11.230 4.772 ( -0.929 4.052 0.917) 4.257 4.943 ( -11.337 7.741 11.959) 18.206 5.122 ( -3.970 -7.106 12.435) 14.862 5.220 ( 5.877 7.837 -11.339) 14.984 5.398 ( 4.946 -9.652 -11.151) 15.555 5.964 ( -0.221 3.939 3.560) 5.314 6.098 ( 1.553 -8.669 4.145) 9.734 6.154 ( 1.551 1.776 -12.686) 12.903 6.268 ( 2.218 -8.154 -10.774) 13.693 7.121 ( 0.478 3.180 7.131) 7.822 7.206 ( -2.119 -4.407 2.692) 5.582 7.342 ( 2.590 2.477 -5.316) 6.411 7.415 ( 0.681 -4.143 -8.617) 9.585 7.985 ( -0.037 2.764 2.133) 3.492 8.033 ( -0.783 -0.171 -0.421) 0.905 8.133 ( 1.325 1.048 -1.010) 1.969 8.219 ( 0.468 -5.721 -7.437) 9.395 9.667 ( -1.579 -1.144 2.670) 3.306 9.670 ( -1.175 -1.372 2.589) 3.157 9.849 ( 0.747 -1.315 0.039) 1.513 9.860 ( 0.672 -2.269 -0.991) 2.565 10.259 ( -0.934 4.639 -0.436) 4.752 10.276 ( 1.150 3.859 -2.247) 4.611 10.422 ( -0.541 -2.243 1.172) 2.588 10.452 ( 2.213 -4.206 -1.939) 5.133 10.800 ( 0.491 -0.045 0.987) 1.103 10.809 ( -1.396 -0.992 0.114) 1.716 10.941 ( 1.263 0.520 -0.099) 1.370 10.947 ( -0.317 -0.127 -0.837) 0.904 11.479 ( -1.777 2.042 9.846) 10.212 11.524 ( -2.781 -2.476 9.385) 10.096 11.655 ( 0.892 1.800 -7.923) 8.174 11.695 ( 2.034 -2.120 -7.700) 8.242 12.565 ( 0.274 0.070 -2.415) 2.431 12.566 ( 0.268 -0.079 -2.543) 2.559 12.605 ( 0.856 0.032 -2.744) 2.874 12.608 ( 0.899 -0.252 -3.001) 3.142 13.190 ( -0.146 1.013 1.756) 2.032 13.203 ( -0.640 -0.233 0.608) 0.913 13.341 ( 0.436 0.107 0.450) 0.636 13.343 ( 0.159 -0.216 0.283) 0.390 13.469 ( 0.268 -0.742 1.033) 1.300 13.476 ( -0.015 -1.173 0.449) 1.256 13.528 ( -0.103 -1.092 0.334) 1.147 13.541 ( -0.666 -2.089 -0.803) 2.335 13.801 ( -0.035 0.685 2.425) 2.520 13.813 ( -0.565 -0.400 2.265) 2.368 13.850 ( 0.281 0.638 -2.360) 2.461 13.858 ( 0.153 -0.119 -2.144) 2.153 ======================= Grid point 155 (87/88) ======================= q-point: (-0.33 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -4.433 8.809 11.116) 14.860 2.442 ( -3.318 -0.184 8.494) 9.121 2.554 ( 1.644 5.270 -6.709) 8.688 2.585 ( 1.012 1.609 5.133) 5.474 2.799 ( 0.357 7.859 -0.969) 7.927 2.838 ( 1.569 1.045 -5.010) 5.353 2.898 ( 5.029 1.193 1.754) 5.458 2.963 ( 4.434 -2.363 -4.144) 6.513 3.142 ( -5.078 0.413 10.532) 11.699 3.202 ( -4.564 -6.147 10.728) 13.180 3.373 ( -1.818 -0.518 2.157) 2.868 3.471 ( -3.291 -8.746 2.141) 9.586 3.595 ( 2.577 5.699 -0.384) 6.267 3.680 ( 3.644 -2.434 1.494) 4.630 3.736 ( 1.608 3.303 4.512) 5.818 3.762 ( 3.166 0.899 1.255) 3.523 3.883 ( -4.119 4.639 7.809) 9.974 3.937 ( -1.692 -0.206 4.364) 4.685 4.120 ( 1.553 4.352 -1.764) 4.946 4.135 ( 1.575 2.911 -1.653) 3.699 4.502 ( -4.828 13.448 -0.147) 14.289 4.584 ( 0.199 8.309 1.673) 8.478 4.661 ( -5.379 1.113 2.690) 6.116 4.750 ( -6.879 0.990 5.746) 9.018 4.824 ( -2.435 11.986 17.731) 21.540 5.081 ( -4.359 -10.070 14.113) 17.877 5.331 ( 7.822 2.637 -7.306) 11.023 5.440 ( 4.887 -5.670 -15.886) 17.561 6.002 ( 2.328 4.919 2.410) 5.952 6.125 ( 0.996 -3.797 0.352) 3.941 6.190 ( 5.949 -2.247 -9.173) 11.161 6.275 ( 3.335 -7.465 -11.444) 14.065 7.112 ( -4.470 4.410 3.942) 7.414 7.194 ( 0.521 -1.519 3.992) 4.303 7.317 ( -2.533 0.842 -6.557) 7.080 7.410 ( 1.954 -6.230 -6.595) 9.280 7.957 ( -2.482 3.150 0.601) 4.055 8.025 ( -1.255 -2.524 2.084) 3.506 8.135 ( 0.053 0.689 -3.347) 3.418 8.194 ( -0.089 -4.178 -5.425) 6.848 9.658 ( -0.521 -1.092 3.466) 3.671 9.668 ( -0.380 -1.851 3.450) 3.933 9.859 ( 0.618 -0.781 -0.914) 1.352 9.877 ( 1.039 -2.472 -0.744) 2.783 10.239 ( -0.797 4.917 -0.411) 4.999 10.285 ( 0.827 2.159 -1.581) 2.801 10.405 ( -1.400 -0.347 -0.590) 1.558 10.469 ( 0.541 -4.642 -3.127) 5.623 10.785 ( -1.106 1.114 0.765) 1.746 10.815 ( 0.422 -1.902 1.589) 2.514 10.922 ( -1.535 1.622 -1.557) 2.722 10.951 ( -0.056 -1.308 -0.755) 1.512 11.498 ( -0.728 0.757 9.957) 10.013 11.518 ( -1.982 -1.275 9.398) 9.689 11.653 ( 2.180 2.585 -7.101) 7.865 11.708 ( 2.536 -2.870 -7.176) 8.134 12.563 ( 0.467 0.086 -2.025) 2.080 12.565 ( 0.529 -0.132 -1.964) 2.038 12.608 ( 0.721 -0.013 -3.237) 3.317 12.610 ( 0.721 -0.248 -3.377) 3.463 13.190 ( -0.288 0.720 1.239) 1.462 13.202 ( 0.029 -0.296 1.427) 1.457 13.348 ( -0.091 0.703 -0.103) 0.717 13.353 ( 0.533 0.038 -0.255) 0.592 13.469 ( -0.510 -0.599 -0.070) 0.790 13.476 ( 0.377 -1.431 0.511) 1.566 13.524 ( -0.682 -1.385 0.110) 1.548 13.531 ( -0.254 -2.066 0.861) 2.253 13.806 ( -0.493 0.737 2.062) 2.244 13.819 ( 0.038 -0.413 2.482) 2.517 13.843 ( 0.149 0.955 -2.344) 2.535 13.858 ( 0.597 -0.479 -1.756) 1.915 ======================= Grid point 156 (88/88) ======================= q-point: (-0.17 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -1.605 10.727 10.593) 15.161 2.440 ( -2.065 0.644 11.621) 11.821 2.553 ( -0.033 5.612 -3.544) 6.637 2.611 ( 0.792 -2.000 -0.833) 2.307 2.807 ( 1.391 9.766 -3.480) 10.460 2.835 ( 0.909 1.408 -5.968) 6.199 2.977 ( 2.309 -6.187 -0.551) 6.627 3.031 ( 1.747 -9.299 0.494) 9.474 3.125 ( -1.665 1.965 11.065) 11.361 3.171 ( -2.463 -2.533 11.533) 12.062 3.376 ( 1.737 -1.578 0.224) 2.358 3.425 ( -0.547 -4.451 -1.859) 4.854 3.657 ( 2.350 5.979 4.594) 7.898 3.724 ( -2.829 0.870 7.072) 7.667 3.742 ( -0.376 2.550 2.954) 3.921 3.777 ( -1.967 -0.137 2.820) 3.441 3.927 ( 4.529 3.675 5.605) 8.090 3.947 ( 0.978 1.516 3.333) 3.790 4.126 ( -0.158 3.726 -3.399) 5.046 4.142 ( 0.084 2.377 -2.540) 3.480 4.417 ( -4.137 12.695 2.445) 13.574 4.535 ( -6.505 0.460 -2.481) 6.977 4.582 ( -3.365 10.522 8.520) 13.951 4.629 ( -5.178 9.072 7.433) 12.821 4.914 ( 1.994 3.584 14.780) 15.338 5.082 ( -2.881 -9.641 18.124) 20.730 5.407 ( 3.308 1.367 -13.137) 13.616 5.469 ( 6.031 -3.116 -15.279) 16.719 6.050 ( 1.716 3.087 1.063) 3.689 6.155 ( 0.734 -5.422 1.311) 5.626 6.258 ( 5.447 -0.808 -10.714) 12.047 6.296 ( 3.187 -4.296 -9.492) 10.895 7.033 ( -4.423 8.240 3.766) 10.081 7.217 ( -4.103 -3.919 -4.386) 7.172 7.242 ( 2.177 1.819 1.293) 3.118 7.411 ( 0.713 -9.294 -5.573) 10.861 7.923 ( -1.090 2.247 0.624) 2.574 7.991 ( -2.702 -4.444 1.403) 5.386 8.127 ( 1.174 1.096 -4.919) 5.175 8.167 ( -0.746 -2.714 -3.643) 4.603 9.674 ( 0.567 -1.271 3.255) 3.540 9.684 ( 0.461 -2.088 3.071) 3.742 9.864 ( 0.196 -0.457 -0.269) 0.566 9.883 ( -0.344 -2.281 -0.013) 2.307 10.233 ( 0.435 4.904 -0.145) 4.925 10.300 ( 1.346 0.724 -0.899) 1.773 10.364 ( -2.207 0.917 -1.983) 3.105 10.444 ( -1.510 -4.411 -3.758) 5.989 10.781 ( 0.289 2.428 1.481) 2.858 10.833 ( 0.828 -2.790 2.015) 3.540 10.881 ( -1.851 2.646 -1.927) 3.760 10.935 ( -1.072 -2.623 -1.501) 3.207 11.522 ( -1.727 0.076 9.392) 9.549 11.529 ( -0.464 -0.587 8.637) 8.670 11.674 ( 2.596 2.399 -5.974) 6.941 11.726 ( 2.191 -2.776 -6.685) 7.563 12.566 ( 0.659 0.119 -1.648) 1.779 12.569 ( 0.707 -0.250 -1.558) 1.729 12.605 ( 0.557 -0.019 -3.722) 3.764 12.607 ( 0.563 -0.246 -3.637) 3.689 13.197 ( 0.512 0.671 1.077) 1.368 13.210 ( 0.015 -0.455 1.652) 1.714 13.333 ( -1.162 1.223 -0.040) 1.687 13.349 ( -0.874 -0.394 -0.466) 1.065 13.471 ( 0.936 0.107 -0.152) 0.955 13.492 ( 0.675 -1.649 0.409) 1.828 13.512 ( -0.248 -1.320 -0.132) 1.349 13.525 ( -0.836 -2.303 1.145) 2.705 13.803 ( -0.696 1.252 1.868) 2.354 13.825 ( -0.264 -0.701 1.109) 1.339 13.843 ( 0.586 1.073 -0.982) 1.568 13.864 ( 0.692 -0.854 -1.375) 1.760 =================== 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 3/21168 10.0 926.264 677.445 1059.668 0.000 132.802 0.000 3/21168 20.0 234.544 225.936 300.934 0.000 14.073 0.000 3/21168 30.0 105.159 111.150 158.924 0.000 0.302 0.000 3/21168 40.0 66.623 71.608 108.162 0.000 -2.001 0.000 3/21168 50.0 49.091 52.809 82.547 0.000 -2.390 0.000 3/21168 60.0 38.920 41.812 66.642 0.000 -2.318 0.000 3/21168 70.0 32.139 34.496 55.571 0.000 -2.126 0.000 3/21168 80.0 27.252 29.242 47.381 0.000 -1.917 0.000 3/21168 90.0 23.563 25.289 41.105 0.000 -1.723 0.000 3/21168 100.0 20.693 22.220 36.177 0.000 -1.554 0.000 3/21168 110.0 18.409 19.780 32.234 0.000 -1.410 0.000 3/21168 120.0 16.557 17.802 29.026 0.000 -1.288 0.000 3/21168 130.0 15.030 16.173 26.377 0.000 -1.183 0.000 3/21168 140.0 13.755 14.811 24.162 0.000 -1.094 0.000 3/21168 150.0 12.676 13.658 22.285 0.000 -1.018 0.000 3/21168 160.0 11.753 12.671 20.679 0.000 -0.951 0.000 3/21168 170.0 10.955 11.818 19.289 0.000 -0.893 0.000 3/21168 180.0 10.259 11.073 18.077 0.000 -0.842 0.000 3/21168 190.0 9.648 10.418 17.010 0.000 -0.796 0.000 3/21168 200.0 9.106 9.837 16.065 0.000 -0.756 0.000 3/21168 210.0 8.622 9.319 15.221 0.000 -0.719 0.000 3/21168 220.0 8.189 8.853 14.464 0.000 -0.686 0.000 3/21168 230.0 7.798 8.433 13.780 0.000 -0.656 0.000 3/21168 240.0 7.443 8.052 13.160 0.000 -0.629 0.000 3/21168 250.0 7.120 7.705 12.594 0.000 -0.603 0.000 3/21168 260.0 6.824 7.387 12.077 0.000 -0.580 0.000 3/21168 270.0 6.553 7.095 11.601 0.000 -0.559 0.000 3/21168 280.0 6.303 6.825 11.163 0.000 -0.539 0.000 3/21168 290.0 6.072 6.576 10.757 0.000 -0.521 0.000 3/21168 300.0 5.857 6.345 10.381 0.000 -0.503 0.000 3/21168 310.0 5.658 6.130 10.030 0.000 -0.487 0.000 3/21168 320.0 5.472 5.930 9.704 0.000 -0.472 0.000 3/21168 330.0 5.298 5.742 9.398 0.000 -0.458 0.000 3/21168 340.0 5.135 5.566 9.111 0.000 -0.445 0.000 3/21168 350.0 4.982 5.401 8.842 0.000 -0.432 0.000 3/21168 360.0 4.838 5.245 8.588 0.000 -0.421 0.000 3/21168 370.0 4.702 5.099 8.349 0.000 -0.409 0.000 3/21168 380.0 4.574 4.960 8.124 0.000 -0.399 0.000 3/21168 390.0 4.453 4.830 7.910 0.000 -0.389 0.000 3/21168 400.0 4.338 4.705 7.708 0.000 -0.379 0.000 3/21168 410.0 4.229 4.588 7.515 0.000 -0.370 0.000 3/21168 420.0 4.126 4.476 7.333 0.000 -0.361 0.000 3/21168 430.0 4.028 4.369 7.159 0.000 -0.353 0.000 3/21168 440.0 3.934 4.268 6.993 0.000 -0.345 0.000 3/21168 450.0 3.844 4.171 6.835 0.000 -0.338 0.000 3/21168 460.0 3.759 4.079 6.684 0.000 -0.331 0.000 3/21168 470.0 3.677 3.990 6.540 0.000 -0.324 0.000 3/21168 480.0 3.599 3.906 6.402 0.000 -0.317 0.000 3/21168 490.0 3.525 3.825 6.270 0.000 -0.311 0.000 3/21168 500.0 3.453 3.747 6.143 0.000 -0.305 0.000 3/21168 510.0 3.384 3.673 6.021 0.000 -0.299 0.000 3/21168 520.0 3.318 3.601 5.904 0.000 -0.293 0.000 3/21168 530.0 3.254 3.532 5.792 0.000 -0.288 0.000 3/21168 540.0 3.193 3.466 5.683 0.000 -0.282 0.000 3/21168 550.0 3.135 3.402 5.579 0.000 -0.277 0.000 3/21168 560.0 3.078 3.341 5.479 0.000 -0.273 0.000 3/21168 570.0 3.023 3.282 5.382 0.000 -0.268 0.000 3/21168 580.0 2.971 3.225 5.289 0.000 -0.263 0.000 3/21168 590.0 2.920 3.170 5.199 0.000 -0.259 0.000 3/21168 600.0 2.871 3.116 5.111 0.000 -0.255 0.000 3/21168 610.0 2.823 3.065 5.027 0.000 -0.251 0.000 3/21168 620.0 2.777 3.015 4.946 0.000 -0.247 0.000 3/21168 630.0 2.733 2.967 4.867 0.000 -0.243 0.000 3/21168 640.0 2.690 2.920 4.791 0.000 -0.239 0.000 3/21168 650.0 2.648 2.875 4.717 0.000 -0.235 0.000 3/21168 660.0 2.608 2.831 4.645 0.000 -0.232 0.000 3/21168 670.0 2.569 2.789 4.576 0.000 -0.229 0.000 3/21168 680.0 2.531 2.748 4.508 0.000 -0.225 0.000 3/21168 690.0 2.494 2.708 4.443 0.000 -0.222 0.000 3/21168 700.0 2.458 2.669 4.379 0.000 -0.219 0.000 3/21168 710.0 2.423 2.631 4.317 0.000 -0.216 0.000 3/21168 720.0 2.389 2.594 4.257 0.000 -0.213 0.000 3/21168 730.0 2.357 2.559 4.199 0.000 -0.210 0.000 3/21168 740.0 2.325 2.524 4.142 0.000 -0.207 0.000 3/21168 750.0 2.293 2.490 4.087 0.000 -0.205 0.000 3/21168 760.0 2.263 2.457 4.033 0.000 -0.202 0.000 3/21168 770.0 2.234 2.426 3.981 0.000 -0.199 0.000 3/21168 780.0 2.205 2.394 3.930 0.000 -0.197 0.000 3/21168 790.0 2.177 2.364 3.880 0.000 -0.194 0.000 3/21168 800.0 2.150 2.334 3.831 0.000 -0.192 0.000 3/21168 810.0 2.123 2.306 3.784 0.000 -0.190 0.000 3/21168 820.0 2.097 2.277 3.738 0.000 -0.187 0.000 3/21168 830.0 2.072 2.250 3.693 0.000 -0.185 0.000 3/21168 840.0 2.047 2.223 3.649 0.000 -0.183 0.000 3/21168 850.0 2.023 2.197 3.606 0.000 -0.181 0.000 3/21168 860.0 1.999 2.171 3.564 0.000 -0.179 0.000 3/21168 870.0 1.976 2.146 3.523 0.000 -0.177 0.000 3/21168 880.0 1.954 2.122 3.483 0.000 -0.175 0.000 3/21168 890.0 1.932 2.098 3.444 0.000 -0.173 0.000 3/21168 900.0 1.911 2.075 3.406 0.000 -0.171 0.000 3/21168 910.0 1.890 2.052 3.369 0.000 -0.169 0.000 3/21168 920.0 1.869 2.030 3.332 0.000 -0.167 0.000 3/21168 930.0 1.849 2.008 3.296 0.000 -0.166 0.000 3/21168 940.0 1.829 1.987 3.261 0.000 -0.164 0.000 3/21168 950.0 1.810 1.966 3.227 0.000 -0.162 0.000 3/21168 960.0 1.791 1.945 3.194 0.000 -0.160 0.000 3/21168 970.0 1.773 1.925 3.161 0.000 -0.159 0.000 3/21168 980.0 1.755 1.906 3.129 0.000 -0.157 0.000 3/21168 990.0 1.737 1.886 3.097 0.000 -0.156 0.000 3/21168 1000.0 1.719 1.867 3.066 0.000 -0.154 0.000 3/21168 Thermal conductivity related properties were written into "kappa-m677.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:53:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|