----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:05:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.215938780000639 0.000000000000000 0.000000000000000 b 0.000000000000000 7.426368140000002 0.000000000000000 c -0.359744613660221 0.000000000000000 8.200627977944254 Atomic positions (fractional): *1 Ho 0.03362925096663 0.75000000000000 0.43374452308554 164.930 2 Ho 0.96637074903337 0.25000000000000 0.56625547691446 164.930 *3 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 4 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 *5 Ta 0.47048154990201 0.50769692191546 0.69631253225699 180.948 6 Ta 0.47048154990201 0.99230307808454 0.69631253225699 180.948 7 Ta 0.52951845009799 0.00769692191545 0.30368746774301 180.948 8 Ta 0.52951845009799 0.49230307808454 0.30368746774301 180.948 *9 O 0.10305402112628 0.75000000000000 0.97701901201323 15.999 *10 O 0.14374827563629 0.06701082581567 0.78287746871359 15.999 11 O 0.14374827563629 0.43298917418434 0.78287746871359 15.999 *12 O 0.25618781985373 0.04434165855607 0.46670533139583 15.999 13 O 0.25618781985373 0.45565834144393 0.46670533139583 15.999 *14 O 0.32899450148377 0.75000000000000 0.65204071948571 15.999 *15 O 0.32848145167532 0.05771414102339 0.11854371529917 15.999 16 O 0.32848145167532 0.44228585897660 0.11854371529917 15.999 *17 O 0.42095948101555 0.75000000000000 0.31314605922588 15.999 18 O 0.57904051898445 0.25000000000000 0.68685394077412 15.999 19 O 0.67151854832468 0.94228585897660 0.88145628470083 15.999 20 O 0.67151854832468 0.55771414102340 0.88145628470083 15.999 21 O 0.67100549851623 0.25000000000000 0.34795928051429 15.999 22 O 0.74381218014627 0.95565834144393 0.53329466860417 15.999 23 O 0.74381218014627 0.54434165855607 0.53329466860417 15.999 24 O 0.85625172436371 0.93298917418434 0.21712253128641 15.999 25 O 0.85625172436371 0.56701082581566 0.21712253128641 15.999 26 O 0.89694597887372 0.25000000000000 0.02298098798677 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.215938780000639 0.000000000000000 0.000000000000000 b 0.000000000000000 7.426368140000002 0.000000000000000 c -0.359744613660221 0.000000000000000 8.200627977944254 Atomic positions (fractional): *1 Ho 0.03362925096663 0.75000000000000 0.43374452308554 164.930 > 1 2 Ho 0.96637074903337 0.25000000000000 0.56625547691446 164.930 > 2 *3 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 3 4 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 4 *5 Ta 0.47048154990201 0.50769692191546 0.69631253225699 180.948 > 5 6 Ta 0.47048154990201 0.99230307808454 0.69631253225699 180.948 > 6 7 Ta 0.52951845009799 0.00769692191545 0.30368746774301 180.948 > 7 8 Ta 0.52951845009799 0.49230307808454 0.30368746774301 180.948 > 8 *9 O 0.10305402112628 0.75000000000000 0.97701901201323 15.999 > 9 *10 O 0.14374827563629 0.06701082581567 0.78287746871359 15.999 > 10 11 O 0.14374827563629 0.43298917418434 0.78287746871359 15.999 > 11 *12 O 0.25618781985373 0.04434165855607 0.46670533139583 15.999 > 12 13 O 0.25618781985373 0.45565834144393 0.46670533139583 15.999 > 13 *14 O 0.32899450148377 0.75000000000000 0.65204071948571 15.999 > 14 *15 O 0.32848145167532 0.05771414102339 0.11854371529917 15.999 > 15 16 O 0.32848145167532 0.44228585897660 0.11854371529917 15.999 > 16 *17 O 0.42095948101555 0.75000000000000 0.31314605922588 15.999 > 17 18 O 0.57904051898445 0.25000000000000 0.68685394077412 15.999 > 18 19 O 0.67151854832468 0.94228585897660 0.88145628470083 15.999 > 19 20 O 0.67151854832468 0.55771414102340 0.88145628470083 15.999 > 20 21 O 0.67100549851623 0.25000000000000 0.34795928051429 15.999 > 21 22 O 0.74381218014627 0.95565834144393 0.53329466860417 15.999 > 22 23 O 0.74381218014627 0.54434165855607 0.53329466860417 15.999 > 23 24 O 0.85625172436371 0.93298917418434 0.21712253128641 15.999 > 24 25 O 0.85625172436371 0.56701082581566 0.21712253128641 15.999 > 25 26 O 0.89694597887372 0.25000000000000 0.02298098798677 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.431877560001277 0.000000000000000 0.000000000000000 b 0.000000000000000 14.852736280000004 0.000000000000000 c -0.359744613660221 0.000000000000000 8.200627977944254 Atomic positions (fractional): *1 Ho 0.01681462548331 0.37500000000000 0.43374452308554 164.930 > 1 2 Ho 0.51681462548332 0.37500000000000 0.43374452308554 164.930 > 1 3 Ho 0.01681462548331 0.87500000000000 0.43374452308554 164.930 > 1 4 Ho 0.51681462548332 0.87500000000000 0.43374452308554 164.930 > 1 5 Ho 0.48318537451668 0.12500000000000 0.56625547691446 164.930 > 2 6 Ho 0.98318537451668 0.12500000000000 0.56625547691446 164.930 > 2 7 Ho 0.48318537451668 0.62500000000000 0.56625547691446 164.930 > 2 8 Ho 0.98318537451668 0.62500000000000 0.56625547691446 164.930 > 2 *9 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 3 10 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 3 11 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 3 12 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 3 13 Ta 0.00000000000000 0.25000000000000 0.00000000000000 180.948 > 4 14 Ta 0.50000000000000 0.25000000000000 0.00000000000000 180.948 > 4 15 Ta 0.00000000000000 0.75000000000000 0.00000000000000 180.948 > 4 16 Ta 0.50000000000000 0.75000000000000 0.00000000000000 180.948 > 4 *17 Ta 0.23524077495101 0.25384846095773 0.69631253225699 180.948 > 5 18 Ta 0.73524077495101 0.25384846095773 0.69631253225699 180.948 > 5 19 Ta 0.23524077495101 0.75384846095773 0.69631253225699 180.948 > 5 20 Ta 0.73524077495101 0.75384846095773 0.69631253225699 180.948 > 5 21 Ta 0.23524077495101 0.49615153904227 0.69631253225699 180.948 > 6 22 Ta 0.73524077495101 0.49615153904227 0.69631253225699 180.948 > 6 23 Ta 0.23524077495101 0.99615153904227 0.69631253225699 180.948 > 6 24 Ta 0.73524077495101 0.99615153904227 0.69631253225699 180.948 > 6 25 Ta 0.26475922504899 0.00384846095773 0.30368746774301 180.948 > 7 26 Ta 0.76475922504899 0.00384846095773 0.30368746774301 180.948 > 7 27 Ta 0.26475922504899 0.50384846095773 0.30368746774301 180.948 > 7 28 Ta 0.76475922504899 0.50384846095773 0.30368746774301 180.948 > 7 29 Ta 0.26475922504899 0.24615153904227 0.30368746774301 180.948 > 8 30 Ta 0.76475922504899 0.24615153904227 0.30368746774301 180.948 > 8 31 Ta 0.26475922504899 0.74615153904227 0.30368746774301 180.948 > 8 32 Ta 0.76475922504899 0.74615153904227 0.30368746774301 180.948 > 8 *33 O 0.05152701056314 0.37500000000000 0.97701901201323 15.999 > 9 34 O 0.55152701056314 0.37500000000000 0.97701901201323 15.999 > 9 35 O 0.05152701056314 0.87500000000000 0.97701901201323 15.999 > 9 36 O 0.55152701056314 0.87500000000000 0.97701901201323 15.999 > 9 *37 O 0.07187413781814 0.03350541290783 0.78287746871359 15.999 > 10 38 O 0.57187413781814 0.03350541290783 0.78287746871359 15.999 > 10 39 O 0.07187413781814 0.53350541290783 0.78287746871359 15.999 > 10 40 O 0.57187413781814 0.53350541290783 0.78287746871359 15.999 > 10 41 O 0.07187413781814 0.21649458709217 0.78287746871359 15.999 > 11 42 O 0.57187413781814 0.21649458709217 0.78287746871359 15.999 > 11 43 O 0.07187413781814 0.71649458709217 0.78287746871359 15.999 > 11 44 O 0.57187413781814 0.71649458709217 0.78287746871359 15.999 > 11 *45 O 0.12809390992686 0.02217082927804 0.46670533139583 15.999 > 12 46 O 0.62809390992686 0.02217082927804 0.46670533139583 15.999 > 12 47 O 0.12809390992686 0.52217082927804 0.46670533139583 15.999 > 12 48 O 0.62809390992686 0.52217082927804 0.46670533139583 15.999 > 12 49 O 0.12809390992686 0.22782917072197 0.46670533139583 15.999 > 13 50 O 0.62809390992686 0.22782917072197 0.46670533139583 15.999 > 13 51 O 0.12809390992686 0.72782917072197 0.46670533139583 15.999 > 13 52 O 0.62809390992686 0.72782917072197 0.46670533139583 15.999 > 13 *53 O 0.16449725074188 0.37500000000000 0.65204071948571 15.999 > 14 54 O 0.66449725074188 0.37500000000000 0.65204071948571 15.999 > 14 55 O 0.16449725074188 0.87500000000000 0.65204071948571 15.999 > 14 56 O 0.66449725074188 0.87500000000000 0.65204071948571 15.999 > 14 *57 O 0.16424072583766 0.02885707051170 0.11854371529917 15.999 > 15 58 O 0.66424072583766 0.02885707051170 0.11854371529917 15.999 > 15 59 O 0.16424072583766 0.52885707051170 0.11854371529917 15.999 > 15 60 O 0.66424072583766 0.52885707051170 0.11854371529917 15.999 > 15 61 O 0.16424072583766 0.22114292948830 0.11854371529917 15.999 > 16 62 O 0.66424072583766 0.22114292948830 0.11854371529917 15.999 > 16 63 O 0.16424072583766 0.72114292948830 0.11854371529917 15.999 > 16 64 O 0.66424072583766 0.72114292948830 0.11854371529917 15.999 > 16 *65 O 0.21047974050777 0.37500000000000 0.31314605922588 15.999 > 17 66 O 0.71047974050777 0.37500000000000 0.31314605922588 15.999 > 17 67 O 0.21047974050777 0.87500000000000 0.31314605922588 15.999 > 17 68 O 0.71047974050777 0.87500000000000 0.31314605922588 15.999 > 17 69 O 0.28952025949223 0.12500000000000 0.68685394077412 15.999 > 18 70 O 0.78952025949223 0.12500000000000 0.68685394077412 15.999 > 18 71 O 0.28952025949223 0.62500000000000 0.68685394077412 15.999 > 18 72 O 0.78952025949223 0.62500000000000 0.68685394077412 15.999 > 18 73 O 0.33575927416234 0.47114292948830 0.88145628470083 15.999 > 19 74 O 0.83575927416234 0.47114292948830 0.88145628470083 15.999 > 19 75 O 0.33575927416234 0.97114292948830 0.88145628470083 15.999 > 19 76 O 0.83575927416234 0.97114292948830 0.88145628470083 15.999 > 19 77 O 0.33575927416234 0.27885707051170 0.88145628470083 15.999 > 20 78 O 0.83575927416234 0.27885707051170 0.88145628470083 15.999 > 20 79 O 0.33575927416234 0.77885707051170 0.88145628470083 15.999 > 20 80 O 0.83575927416234 0.77885707051170 0.88145628470083 15.999 > 20 81 O 0.33550274925812 0.12500000000000 0.34795928051429 15.999 > 21 82 O 0.83550274925812 0.12500000000000 0.34795928051429 15.999 > 21 83 O 0.33550274925812 0.62500000000000 0.34795928051429 15.999 > 21 84 O 0.83550274925812 0.62500000000000 0.34795928051429 15.999 > 21 85 O 0.37190609007314 0.47782917072197 0.53329466860417 15.999 > 22 86 O 0.87190609007314 0.47782917072197 0.53329466860417 15.999 > 22 87 O 0.37190609007314 0.97782917072197 0.53329466860417 15.999 > 22 88 O 0.87190609007314 0.97782917072197 0.53329466860417 15.999 > 22 89 O 0.37190609007314 0.27217082927803 0.53329466860417 15.999 > 23 90 O 0.87190609007314 0.27217082927803 0.53329466860417 15.999 > 23 91 O 0.37190609007314 0.77217082927803 0.53329466860417 15.999 > 23 92 O 0.87190609007314 0.77217082927803 0.53329466860417 15.999 > 23 93 O 0.42812586218186 0.46649458709217 0.21712253128641 15.999 > 24 94 O 0.92812586218186 0.46649458709217 0.21712253128641 15.999 > 24 95 O 0.42812586218186 0.96649458709217 0.21712253128641 15.999 > 24 96 O 0.92812586218186 0.96649458709217 0.21712253128641 15.999 > 24 97 O 0.42812586218186 0.28350541290783 0.21712253128641 15.999 > 25 98 O 0.92812586218186 0.28350541290783 0.21712253128641 15.999 > 25 99 O 0.42812586218186 0.78350541290783 0.21712253128641 15.999 > 25 100 O 0.92812586218186 0.78350541290783 0.21712253128641 15.999 > 25 101 O 0.44847298943686 0.12500000000000 0.02298098798677 15.999 > 26 102 O 0.94847298943686 0.12500000000000 0.02298098798677 15.999 > 26 103 O 0.44847298943686 0.62500000000000 0.02298098798677 15.999 > 26 104 O 0.94847298943686 0.62500000000000 0.02298098798677 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2677591 0.0000000 0.1043378 0.0000000 5.7308130 0.0000000 0.1043387 0.0000000 5.2395764 -------------------------- Born effective charges -------------------------- 1 Ho 4.9275149 0.0000000 0.5219552 0.0000000 3.8607082 0.0000000 0.2586125 0.0000000 3.5965933 2 Ho 4.9275149 0.0000000 0.5219552 0.0000000 3.8607082 0.0000000 0.2586125 0.0000000 3.5965933 3 Ta 7.4286717 1.5659303 -0.9792905 -1.7236496 9.3420495 0.3273673 1.7459338 0.0161949 7.9714136 4 Ta 7.4286717 -1.5659303 -0.9792905 1.7236496 9.3420495 -0.3273673 1.7459338 -0.0161949 7.9714136 5 Ta 6.2734055 0.2833244 0.4661302 -1.1419912 7.1366740 -0.4119358 -0.5917220 -0.1003929 6.6373651 6 Ta 6.2734055 -0.2833244 0.4661302 1.1419912 7.1366740 0.4119358 -0.5917220 0.1003929 6.6373651 7 Ta 6.2734055 -0.2833244 0.4661302 1.1419912 7.1366740 0.4119358 -0.5917220 0.1003929 6.6373651 8 Ta 6.2734055 0.2833244 0.4661302 -1.1419912 7.1366740 -0.4119358 -0.5917220 -0.1003929 6.6373651 9 O -1.4115695 0.0000000 0.2320380 0.0000000 -7.1386210 0.0000000 -0.1429024 0.0000000 -1.3581070 10 O -3.5678404 0.2819401 1.6896667 0.4888456 -1.7302104 0.3581695 1.4810649 0.3709083 -3.3924713 11 O -3.5678404 -0.2819401 1.6896667 -0.4888456 -1.7302104 -0.3581695 1.4810649 -0.3709083 -3.3924713 12 O -2.7960604 0.2880137 0.3574294 0.2999675 -2.0668934 -0.3168887 0.7195090 -0.2406701 -3.2404526 13 O -2.7960604 -0.2880137 0.3574294 -0.2999675 -2.0668934 0.3168887 0.7195090 0.2406701 -3.2404526 14 O -1.7972885 0.0000000 -0.5408803 0.0000000 -5.1020872 0.0000000 -0.5425802 0.0000000 -1.7722769 15 O -3.4780997 -0.1134864 -2.2815142 0.0097620 -1.2339935 0.1190308 -2.5176553 0.0843561 -3.5641079 16 O -3.4780997 0.1134864 -2.2815142 -0.0097620 -1.2339935 -0.1190308 -2.5176553 -0.0843561 -3.5641079 17 O -2.0101387 0.0000000 0.3027535 0.0000000 -5.1732029 0.0000000 0.4985431 0.0000000 -1.3182895 18 O -2.0101387 0.0000000 0.3027535 0.0000000 -5.1732029 0.0000000 0.4985431 0.0000000 -1.3182895 19 O -3.4780997 -0.1134864 -2.2815142 0.0097620 -1.2339935 0.1190308 -2.5176553 0.0843561 -3.5641079 20 O -3.4780997 0.1134864 -2.2815142 -0.0097620 -1.2339935 -0.1190308 -2.5176553 -0.0843561 -3.5641079 21 O -1.7972885 0.0000000 -0.5408803 0.0000000 -5.1020872 0.0000000 -0.5425802 0.0000000 -1.7722769 22 O -2.7960604 0.2880137 0.3574294 0.2999675 -2.0668934 -0.3168887 0.7195090 -0.2406701 -3.2404526 23 O -2.7960604 -0.2880137 0.3574294 -0.2999675 -2.0668934 0.3168887 0.7195090 0.2406701 -3.2404526 24 O -3.5678404 0.2819401 1.6896667 0.4888456 -1.7302104 0.3581695 1.4810649 0.3709083 -3.3924713 25 O -3.5678404 -0.2819401 1.6896667 -0.4888456 -1.7302104 -0.3581695 1.4810649 -0.3709083 -3.3924713 26 O -1.4115695 0.0000000 0.2320380 0.0000000 -7.1386210 0.0000000 -0.1429024 0.0000000 -1.3581070 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3184 Number of blocks in projector: 3184 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: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 710 / 710 (1) 201 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 646 / 646 (1) 137 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 646 / 646 (1) 137 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 394 Use standard eigh solver. Tree of FC basis block matrices: - (3184, 3120), data: False |-- (394, 385), data: True |-- (394, 385), data: True |-- (394, 385), data: True |-- (646, 636), data: False |-- (646, 9), data: (646, 19) @ (19, 9) |-- (146, 137), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (646, 636), data: False |-- (646, 9), data: (646, 19) @ (19, 9) |-- (146, 137), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 693), data: False |-- (710, 9), data: (710, 26) @ (26, 9) |-- (210, 201), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 800 - Time: 0.826 Solver_block: 200 / 800 - Time: 0.739 Solver_block: 300 / 800 - Time: 0.736 Solver_block: 400 / 800 - Time: 0.742 Solver_block: 500 / 800 - Time: 0.732 Solver_block: 600 / 800 - Time: 0.736 Solver_block: 700 / 800 - Time: 0.745 Solver_block: 800 / 800 - Time: 0.729 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.114 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3184 Number of blocks in projector: 3184 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: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 710 / 710 (1) 201 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 646 / 646 (1) 137 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 646 / 646 (1) 137 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 394 Use standard eigh solver. Tree of FC basis block matrices: - (3184, 3120), data: False |-- (394, 385), data: True |-- (394, 385), data: True |-- (394, 385), data: True |-- (646, 636), data: False |-- (646, 9), data: (646, 19) @ (19, 9) |-- (146, 137), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (646, 636), data: False |-- (646, 9), data: (646, 19) @ (19, 9) |-- (146, 137), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 693), data: False |-- (710, 9), data: (710, 26) @ (26, 9) |-- (210, 201), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), 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 2026-01-09 01:06:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:06:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.215938780000639 0.000000000000000 0.000000000000000 b 0.000000000000000 7.426368140000002 0.000000000000000 c -0.359744613660221 0.000000000000000 8.200627977944254 Atomic positions (fractional): 1 Ho 0.03362925096663 0.75000000000000 0.43374452308554 164.930 2 Ho 0.96637074903337 0.25000000000000 0.56625547691446 164.930 3 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 4 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 5 Ta 0.47048154990201 0.50769692191546 0.69631253225699 180.948 6 Ta 0.47048154990201 0.99230307808454 0.69631253225699 180.948 7 Ta 0.52951845009799 0.00769692191545 0.30368746774301 180.948 8 Ta 0.52951845009799 0.49230307808454 0.30368746774301 180.948 9 O 0.10305402112628 0.75000000000000 0.97701901201323 15.999 10 O 0.14374827563629 0.06701082581567 0.78287746871359 15.999 11 O 0.14374827563629 0.43298917418434 0.78287746871359 15.999 12 O 0.25618781985373 0.04434165855607 0.46670533139583 15.999 13 O 0.25618781985373 0.45565834144393 0.46670533139583 15.999 14 O 0.32899450148377 0.75000000000000 0.65204071948571 15.999 15 O 0.32848145167532 0.05771414102339 0.11854371529917 15.999 16 O 0.32848145167532 0.44228585897660 0.11854371529917 15.999 17 O 0.42095948101555 0.75000000000000 0.31314605922588 15.999 18 O 0.57904051898445 0.25000000000000 0.68685394077412 15.999 19 O 0.67151854832468 0.94228585897660 0.88145628470083 15.999 20 O 0.67151854832468 0.55771414102340 0.88145628470083 15.999 21 O 0.67100549851623 0.25000000000000 0.34795928051429 15.999 22 O 0.74381218014627 0.95565834144393 0.53329466860417 15.999 23 O 0.74381218014627 0.54434165855607 0.53329466860417 15.999 24 O 0.85625172436371 0.93298917418434 0.21712253128641 15.999 25 O 0.85625172436371 0.56701082581566 0.21712253128641 15.999 26 O 0.89694597887372 0.25000000000000 0.02298098798677 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.431877560001277 0.000000000000000 0.000000000000000 b 0.000000000000000 14.852736280000004 0.000000000000000 c -0.359744613660221 0.000000000000000 8.200627977944254 Atomic positions (fractional): 1 Ho 0.01681462548331 0.37500000000000 0.43374452308554 164.930 > 1 2 Ho 0.51681462548332 0.37500000000000 0.43374452308554 164.930 > 1 3 Ho 0.01681462548331 0.87500000000000 0.43374452308554 164.930 > 1 4 Ho 0.51681462548332 0.87500000000000 0.43374452308554 164.930 > 1 5 Ho 0.48318537451668 0.12500000000000 0.56625547691446 164.930 > 5 6 Ho 0.98318537451668 0.12500000000000 0.56625547691446 164.930 > 5 7 Ho 0.48318537451668 0.62500000000000 0.56625547691446 164.930 > 5 8 Ho 0.98318537451668 0.62500000000000 0.56625547691446 164.930 > 5 9 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 9 10 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 9 11 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 9 12 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 9 13 Ta 0.00000000000000 0.25000000000000 0.00000000000000 180.948 > 13 14 Ta 0.50000000000000 0.25000000000000 0.00000000000000 180.948 > 13 15 Ta 0.00000000000000 0.75000000000000 0.00000000000000 180.948 > 13 16 Ta 0.50000000000000 0.75000000000000 0.00000000000000 180.948 > 13 17 Ta 0.23524077495101 0.25384846095773 0.69631253225699 180.948 > 17 18 Ta 0.73524077495101 0.25384846095773 0.69631253225699 180.948 > 17 19 Ta 0.23524077495101 0.75384846095773 0.69631253225699 180.948 > 17 20 Ta 0.73524077495101 0.75384846095773 0.69631253225699 180.948 > 17 21 Ta 0.23524077495101 0.49615153904227 0.69631253225699 180.948 > 21 22 Ta 0.73524077495101 0.49615153904227 0.69631253225699 180.948 > 21 23 Ta 0.23524077495101 0.99615153904227 0.69631253225699 180.948 > 21 24 Ta 0.73524077495101 0.99615153904227 0.69631253225699 180.948 > 21 25 Ta 0.26475922504899 0.00384846095773 0.30368746774301 180.948 > 25 26 Ta 0.76475922504899 0.00384846095773 0.30368746774301 180.948 > 25 27 Ta 0.26475922504899 0.50384846095773 0.30368746774301 180.948 > 25 28 Ta 0.76475922504899 0.50384846095773 0.30368746774301 180.948 > 25 29 Ta 0.26475922504899 0.24615153904227 0.30368746774301 180.948 > 29 30 Ta 0.76475922504899 0.24615153904227 0.30368746774301 180.948 > 29 31 Ta 0.26475922504899 0.74615153904227 0.30368746774301 180.948 > 29 32 Ta 0.76475922504899 0.74615153904227 0.30368746774301 180.948 > 29 33 O 0.05152701056314 0.37500000000000 0.97701901201323 15.999 > 33 34 O 0.55152701056314 0.37500000000000 0.97701901201323 15.999 > 33 35 O 0.05152701056314 0.87500000000000 0.97701901201323 15.999 > 33 36 O 0.55152701056314 0.87500000000000 0.97701901201323 15.999 > 33 37 O 0.07187413781814 0.03350541290783 0.78287746871359 15.999 > 37 38 O 0.57187413781814 0.03350541290783 0.78287746871359 15.999 > 37 39 O 0.07187413781814 0.53350541290783 0.78287746871359 15.999 > 37 40 O 0.57187413781814 0.53350541290783 0.78287746871359 15.999 > 37 41 O 0.07187413781814 0.21649458709217 0.78287746871359 15.999 > 41 42 O 0.57187413781814 0.21649458709217 0.78287746871359 15.999 > 41 43 O 0.07187413781814 0.71649458709217 0.78287746871359 15.999 > 41 44 O 0.57187413781814 0.71649458709217 0.78287746871359 15.999 > 41 45 O 0.12809390992686 0.02217082927804 0.46670533139583 15.999 > 45 46 O 0.62809390992686 0.02217082927804 0.46670533139583 15.999 > 45 47 O 0.12809390992686 0.52217082927804 0.46670533139583 15.999 > 45 48 O 0.62809390992686 0.52217082927804 0.46670533139583 15.999 > 45 49 O 0.12809390992686 0.22782917072197 0.46670533139583 15.999 > 49 50 O 0.62809390992686 0.22782917072197 0.46670533139583 15.999 > 49 51 O 0.12809390992686 0.72782917072197 0.46670533139583 15.999 > 49 52 O 0.62809390992686 0.72782917072197 0.46670533139583 15.999 > 49 53 O 0.16449725074188 0.37500000000000 0.65204071948571 15.999 > 53 54 O 0.66449725074188 0.37500000000000 0.65204071948571 15.999 > 53 55 O 0.16449725074188 0.87500000000000 0.65204071948571 15.999 > 53 56 O 0.66449725074188 0.87500000000000 0.65204071948571 15.999 > 53 57 O 0.16424072583766 0.02885707051170 0.11854371529917 15.999 > 57 58 O 0.66424072583766 0.02885707051170 0.11854371529917 15.999 > 57 59 O 0.16424072583766 0.52885707051170 0.11854371529917 15.999 > 57 60 O 0.66424072583766 0.52885707051170 0.11854371529917 15.999 > 57 61 O 0.16424072583766 0.22114292948830 0.11854371529917 15.999 > 61 62 O 0.66424072583766 0.22114292948830 0.11854371529917 15.999 > 61 63 O 0.16424072583766 0.72114292948830 0.11854371529917 15.999 > 61 64 O 0.66424072583766 0.72114292948830 0.11854371529917 15.999 > 61 65 O 0.21047974050777 0.37500000000000 0.31314605922588 15.999 > 65 66 O 0.71047974050777 0.37500000000000 0.31314605922588 15.999 > 65 67 O 0.21047974050777 0.87500000000000 0.31314605922588 15.999 > 65 68 O 0.71047974050777 0.87500000000000 0.31314605922588 15.999 > 65 69 O 0.28952025949223 0.12500000000000 0.68685394077412 15.999 > 69 70 O 0.78952025949223 0.12500000000000 0.68685394077412 15.999 > 69 71 O 0.28952025949223 0.62500000000000 0.68685394077412 15.999 > 69 72 O 0.78952025949223 0.62500000000000 0.68685394077412 15.999 > 69 73 O 0.33575927416234 0.47114292948830 0.88145628470083 15.999 > 73 74 O 0.83575927416234 0.47114292948830 0.88145628470083 15.999 > 73 75 O 0.33575927416234 0.97114292948830 0.88145628470083 15.999 > 73 76 O 0.83575927416234 0.97114292948830 0.88145628470083 15.999 > 73 77 O 0.33575927416234 0.27885707051170 0.88145628470083 15.999 > 77 78 O 0.83575927416234 0.27885707051170 0.88145628470083 15.999 > 77 79 O 0.33575927416234 0.77885707051170 0.88145628470083 15.999 > 77 80 O 0.83575927416234 0.77885707051170 0.88145628470083 15.999 > 77 81 O 0.33550274925812 0.12500000000000 0.34795928051429 15.999 > 81 82 O 0.83550274925812 0.12500000000000 0.34795928051429 15.999 > 81 83 O 0.33550274925812 0.62500000000000 0.34795928051429 15.999 > 81 84 O 0.83550274925812 0.62500000000000 0.34795928051429 15.999 > 81 85 O 0.37190609007314 0.47782917072197 0.53329466860417 15.999 > 85 86 O 0.87190609007314 0.47782917072197 0.53329466860417 15.999 > 85 87 O 0.37190609007314 0.97782917072197 0.53329466860417 15.999 > 85 88 O 0.87190609007314 0.97782917072197 0.53329466860417 15.999 > 85 89 O 0.37190609007314 0.27217082927803 0.53329466860417 15.999 > 89 90 O 0.87190609007314 0.27217082927803 0.53329466860417 15.999 > 89 91 O 0.37190609007314 0.77217082927803 0.53329466860417 15.999 > 89 92 O 0.87190609007314 0.77217082927803 0.53329466860417 15.999 > 89 93 O 0.42812586218186 0.46649458709217 0.21712253128641 15.999 > 93 94 O 0.92812586218186 0.46649458709217 0.21712253128641 15.999 > 93 95 O 0.42812586218186 0.96649458709217 0.21712253128641 15.999 > 93 96 O 0.92812586218186 0.96649458709217 0.21712253128641 15.999 > 93 97 O 0.42812586218186 0.28350541290783 0.21712253128641 15.999 > 97 98 O 0.92812586218186 0.28350541290783 0.21712253128641 15.999 > 97 99 O 0.42812586218186 0.78350541290783 0.21712253128641 15.999 > 97 100 O 0.92812586218186 0.78350541290783 0.21712253128641 15.999 > 97 101 O 0.44847298943686 0.12500000000000 0.02298098798677 15.999 > 101 102 O 0.94847298943686 0.12500000000000 0.02298098798677 15.999 > 101 103 O 0.44847298943686 0.62500000000000 0.02298098798677 15.999 > 101 104 O 0.94847298943686 0.62500000000000 0.02298098798677 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2677591 0.0000000 0.1043378 0.0000000 5.7308130 0.0000000 0.1043387 0.0000000 5.2395764 -------------------------- Born effective charges -------------------------- 1 Ho 4.9275149 0.0000000 0.5219552 0.0000000 3.8607082 0.0000000 0.2586125 0.0000000 3.5965933 2 Ho 4.9275149 0.0000000 0.5219552 0.0000000 3.8607082 0.0000000 0.2586125 0.0000000 3.5965933 3 Ta 7.4286717 1.5659303 -0.9792905 -1.7236496 9.3420495 0.3273673 1.7459338 0.0161949 7.9714136 4 Ta 7.4286717 -1.5659303 -0.9792905 1.7236496 9.3420495 -0.3273673 1.7459338 -0.0161949 7.9714136 5 Ta 6.2734055 0.2833244 0.4661302 -1.1419912 7.1366740 -0.4119358 -0.5917220 -0.1003929 6.6373651 6 Ta 6.2734055 -0.2833244 0.4661302 1.1419912 7.1366740 0.4119358 -0.5917220 0.1003929 6.6373651 7 Ta 6.2734055 -0.2833244 0.4661302 1.1419912 7.1366740 0.4119358 -0.5917220 0.1003929 6.6373651 8 Ta 6.2734055 0.2833244 0.4661302 -1.1419912 7.1366740 -0.4119358 -0.5917220 -0.1003929 6.6373651 9 O -1.4115695 0.0000000 0.2320380 0.0000000 -7.1386210 0.0000000 -0.1429024 0.0000000 -1.3581070 10 O -3.5678404 0.2819401 1.6896667 0.4888456 -1.7302104 0.3581695 1.4810649 0.3709083 -3.3924713 11 O -3.5678404 -0.2819401 1.6896667 -0.4888456 -1.7302104 -0.3581695 1.4810649 -0.3709083 -3.3924713 12 O -2.7960604 0.2880137 0.3574294 0.2999675 -2.0668934 -0.3168887 0.7195090 -0.2406701 -3.2404526 13 O -2.7960604 -0.2880137 0.3574294 -0.2999675 -2.0668934 0.3168887 0.7195090 0.2406701 -3.2404526 14 O -1.7972885 0.0000000 -0.5408803 0.0000000 -5.1020872 0.0000000 -0.5425802 0.0000000 -1.7722769 15 O -3.4780997 -0.1134864 -2.2815142 0.0097620 -1.2339935 0.1190308 -2.5176553 0.0843561 -3.5641079 16 O -3.4780997 0.1134864 -2.2815142 -0.0097620 -1.2339935 -0.1190308 -2.5176553 -0.0843561 -3.5641079 17 O -2.0101387 0.0000000 0.3027535 0.0000000 -5.1732029 0.0000000 0.4985431 0.0000000 -1.3182895 18 O -2.0101387 0.0000000 0.3027535 0.0000000 -5.1732029 0.0000000 0.4985431 0.0000000 -1.3182895 19 O -3.4780997 -0.1134864 -2.2815142 0.0097620 -1.2339935 0.1190308 -2.5176553 0.0843561 -3.5641079 20 O -3.4780997 0.1134864 -2.2815142 -0.0097620 -1.2339935 -0.1190308 -2.5176553 -0.0843561 -3.5641079 21 O -1.7972885 0.0000000 -0.5408803 0.0000000 -5.1020872 0.0000000 -0.5425802 0.0000000 -1.7722769 22 O -2.7960604 0.2880137 0.3574294 0.2999675 -2.0668934 -0.3168887 0.7195090 -0.2406701 -3.2404526 23 O -2.7960604 -0.2880137 0.3574294 -0.2999675 -2.0668934 0.3168887 0.7195090 0.2406701 -3.2404526 24 O -3.5678404 0.2819401 1.6896667 0.4888456 -1.7302104 0.3581695 1.4810649 0.3709083 -3.3924713 25 O -3.5678404 -0.2819401 1.6896667 -0.4888456 -1.7302104 -0.3581695 1.4810649 -0.3709083 -3.3924713 26 O -1.4115695 0.0000000 0.2320380 0.0000000 -7.1386210 0.0000000 -0.1429024 0.0000000 -1.3581070 ---------------------------------------------------------------------------- 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 45, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000010 (xxx) 0.00000010 (xxx) 0.00000010 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (zx) -0.00000004 (zx) 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 2026-01-09 01:06:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:06:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.215938780000639 0.000000000000000 0.000000000000000 b 0.000000000000000 7.426368140000002 0.000000000000000 c -0.359744613660221 0.000000000000000 8.200627977944254 Atomic positions (fractional): 1 Ho 0.03362925096663 0.75000000000000 0.43374452308554 164.930 2 Ho 0.96637074903337 0.25000000000000 0.56625547691446 164.930 3 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 4 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 5 Ta 0.47048154990201 0.50769692191546 0.69631253225699 180.948 6 Ta 0.47048154990201 0.99230307808454 0.69631253225699 180.948 7 Ta 0.52951845009799 0.00769692191545 0.30368746774301 180.948 8 Ta 0.52951845009799 0.49230307808454 0.30368746774301 180.948 9 O 0.10305402112628 0.75000000000000 0.97701901201323 15.999 10 O 0.14374827563629 0.06701082581567 0.78287746871359 15.999 11 O 0.14374827563629 0.43298917418434 0.78287746871359 15.999 12 O 0.25618781985373 0.04434165855607 0.46670533139583 15.999 13 O 0.25618781985373 0.45565834144393 0.46670533139583 15.999 14 O 0.32899450148377 0.75000000000000 0.65204071948571 15.999 15 O 0.32848145167532 0.05771414102339 0.11854371529917 15.999 16 O 0.32848145167532 0.44228585897660 0.11854371529917 15.999 17 O 0.42095948101555 0.75000000000000 0.31314605922588 15.999 18 O 0.57904051898445 0.25000000000000 0.68685394077412 15.999 19 O 0.67151854832468 0.94228585897660 0.88145628470083 15.999 20 O 0.67151854832468 0.55771414102340 0.88145628470083 15.999 21 O 0.67100549851623 0.25000000000000 0.34795928051429 15.999 22 O 0.74381218014627 0.95565834144393 0.53329466860417 15.999 23 O 0.74381218014627 0.54434165855607 0.53329466860417 15.999 24 O 0.85625172436371 0.93298917418434 0.21712253128641 15.999 25 O 0.85625172436371 0.56701082581566 0.21712253128641 15.999 26 O 0.89694597887372 0.25000000000000 0.02298098798677 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.431877560001277 0.000000000000000 0.000000000000000 b 0.000000000000000 14.852736280000004 0.000000000000000 c -0.359744613660221 0.000000000000000 8.200627977944254 Atomic positions (fractional): 1 Ho 0.01681462548331 0.37500000000000 0.43374452308554 164.930 > 1 2 Ho 0.51681462548332 0.37500000000000 0.43374452308554 164.930 > 1 3 Ho 0.01681462548331 0.87500000000000 0.43374452308554 164.930 > 1 4 Ho 0.51681462548332 0.87500000000000 0.43374452308554 164.930 > 1 5 Ho 0.48318537451668 0.12500000000000 0.56625547691446 164.930 > 5 6 Ho 0.98318537451668 0.12500000000000 0.56625547691446 164.930 > 5 7 Ho 0.48318537451668 0.62500000000000 0.56625547691446 164.930 > 5 8 Ho 0.98318537451668 0.62500000000000 0.56625547691446 164.930 > 5 9 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 9 10 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 9 11 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 9 12 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 9 13 Ta 0.00000000000000 0.25000000000000 0.00000000000000 180.948 > 13 14 Ta 0.50000000000000 0.25000000000000 0.00000000000000 180.948 > 13 15 Ta 0.00000000000000 0.75000000000000 0.00000000000000 180.948 > 13 16 Ta 0.50000000000000 0.75000000000000 0.00000000000000 180.948 > 13 17 Ta 0.23524077495101 0.25384846095773 0.69631253225699 180.948 > 17 18 Ta 0.73524077495101 0.25384846095773 0.69631253225699 180.948 > 17 19 Ta 0.23524077495101 0.75384846095773 0.69631253225699 180.948 > 17 20 Ta 0.73524077495101 0.75384846095773 0.69631253225699 180.948 > 17 21 Ta 0.23524077495101 0.49615153904227 0.69631253225699 180.948 > 21 22 Ta 0.73524077495101 0.49615153904227 0.69631253225699 180.948 > 21 23 Ta 0.23524077495101 0.99615153904227 0.69631253225699 180.948 > 21 24 Ta 0.73524077495101 0.99615153904227 0.69631253225699 180.948 > 21 25 Ta 0.26475922504899 0.00384846095773 0.30368746774301 180.948 > 25 26 Ta 0.76475922504899 0.00384846095773 0.30368746774301 180.948 > 25 27 Ta 0.26475922504899 0.50384846095773 0.30368746774301 180.948 > 25 28 Ta 0.76475922504899 0.50384846095773 0.30368746774301 180.948 > 25 29 Ta 0.26475922504899 0.24615153904227 0.30368746774301 180.948 > 29 30 Ta 0.76475922504899 0.24615153904227 0.30368746774301 180.948 > 29 31 Ta 0.26475922504899 0.74615153904227 0.30368746774301 180.948 > 29 32 Ta 0.76475922504899 0.74615153904227 0.30368746774301 180.948 > 29 33 O 0.05152701056314 0.37500000000000 0.97701901201323 15.999 > 33 34 O 0.55152701056314 0.37500000000000 0.97701901201323 15.999 > 33 35 O 0.05152701056314 0.87500000000000 0.97701901201323 15.999 > 33 36 O 0.55152701056314 0.87500000000000 0.97701901201323 15.999 > 33 37 O 0.07187413781814 0.03350541290783 0.78287746871359 15.999 > 37 38 O 0.57187413781814 0.03350541290783 0.78287746871359 15.999 > 37 39 O 0.07187413781814 0.53350541290783 0.78287746871359 15.999 > 37 40 O 0.57187413781814 0.53350541290783 0.78287746871359 15.999 > 37 41 O 0.07187413781814 0.21649458709217 0.78287746871359 15.999 > 41 42 O 0.57187413781814 0.21649458709217 0.78287746871359 15.999 > 41 43 O 0.07187413781814 0.71649458709217 0.78287746871359 15.999 > 41 44 O 0.57187413781814 0.71649458709217 0.78287746871359 15.999 > 41 45 O 0.12809390992686 0.02217082927804 0.46670533139583 15.999 > 45 46 O 0.62809390992686 0.02217082927804 0.46670533139583 15.999 > 45 47 O 0.12809390992686 0.52217082927804 0.46670533139583 15.999 > 45 48 O 0.62809390992686 0.52217082927804 0.46670533139583 15.999 > 45 49 O 0.12809390992686 0.22782917072197 0.46670533139583 15.999 > 49 50 O 0.62809390992686 0.22782917072197 0.46670533139583 15.999 > 49 51 O 0.12809390992686 0.72782917072197 0.46670533139583 15.999 > 49 52 O 0.62809390992686 0.72782917072197 0.46670533139583 15.999 > 49 53 O 0.16449725074188 0.37500000000000 0.65204071948571 15.999 > 53 54 O 0.66449725074188 0.37500000000000 0.65204071948571 15.999 > 53 55 O 0.16449725074188 0.87500000000000 0.65204071948571 15.999 > 53 56 O 0.66449725074188 0.87500000000000 0.65204071948571 15.999 > 53 57 O 0.16424072583766 0.02885707051170 0.11854371529917 15.999 > 57 58 O 0.66424072583766 0.02885707051170 0.11854371529917 15.999 > 57 59 O 0.16424072583766 0.52885707051170 0.11854371529917 15.999 > 57 60 O 0.66424072583766 0.52885707051170 0.11854371529917 15.999 > 57 61 O 0.16424072583766 0.22114292948830 0.11854371529917 15.999 > 61 62 O 0.66424072583766 0.22114292948830 0.11854371529917 15.999 > 61 63 O 0.16424072583766 0.72114292948830 0.11854371529917 15.999 > 61 64 O 0.66424072583766 0.72114292948830 0.11854371529917 15.999 > 61 65 O 0.21047974050777 0.37500000000000 0.31314605922588 15.999 > 65 66 O 0.71047974050777 0.37500000000000 0.31314605922588 15.999 > 65 67 O 0.21047974050777 0.87500000000000 0.31314605922588 15.999 > 65 68 O 0.71047974050777 0.87500000000000 0.31314605922588 15.999 > 65 69 O 0.28952025949223 0.12500000000000 0.68685394077412 15.999 > 69 70 O 0.78952025949223 0.12500000000000 0.68685394077412 15.999 > 69 71 O 0.28952025949223 0.62500000000000 0.68685394077412 15.999 > 69 72 O 0.78952025949223 0.62500000000000 0.68685394077412 15.999 > 69 73 O 0.33575927416234 0.47114292948830 0.88145628470083 15.999 > 73 74 O 0.83575927416234 0.47114292948830 0.88145628470083 15.999 > 73 75 O 0.33575927416234 0.97114292948830 0.88145628470083 15.999 > 73 76 O 0.83575927416234 0.97114292948830 0.88145628470083 15.999 > 73 77 O 0.33575927416234 0.27885707051170 0.88145628470083 15.999 > 77 78 O 0.83575927416234 0.27885707051170 0.88145628470083 15.999 > 77 79 O 0.33575927416234 0.77885707051170 0.88145628470083 15.999 > 77 80 O 0.83575927416234 0.77885707051170 0.88145628470083 15.999 > 77 81 O 0.33550274925812 0.12500000000000 0.34795928051429 15.999 > 81 82 O 0.83550274925812 0.12500000000000 0.34795928051429 15.999 > 81 83 O 0.33550274925812 0.62500000000000 0.34795928051429 15.999 > 81 84 O 0.83550274925812 0.62500000000000 0.34795928051429 15.999 > 81 85 O 0.37190609007314 0.47782917072197 0.53329466860417 15.999 > 85 86 O 0.87190609007314 0.47782917072197 0.53329466860417 15.999 > 85 87 O 0.37190609007314 0.97782917072197 0.53329466860417 15.999 > 85 88 O 0.87190609007314 0.97782917072197 0.53329466860417 15.999 > 85 89 O 0.37190609007314 0.27217082927803 0.53329466860417 15.999 > 89 90 O 0.87190609007314 0.27217082927803 0.53329466860417 15.999 > 89 91 O 0.37190609007314 0.77217082927803 0.53329466860417 15.999 > 89 92 O 0.87190609007314 0.77217082927803 0.53329466860417 15.999 > 89 93 O 0.42812586218186 0.46649458709217 0.21712253128641 15.999 > 93 94 O 0.92812586218186 0.46649458709217 0.21712253128641 15.999 > 93 95 O 0.42812586218186 0.96649458709217 0.21712253128641 15.999 > 93 96 O 0.92812586218186 0.96649458709217 0.21712253128641 15.999 > 93 97 O 0.42812586218186 0.28350541290783 0.21712253128641 15.999 > 97 98 O 0.92812586218186 0.28350541290783 0.21712253128641 15.999 > 97 99 O 0.42812586218186 0.78350541290783 0.21712253128641 15.999 > 97 100 O 0.92812586218186 0.78350541290783 0.21712253128641 15.999 > 97 101 O 0.44847298943686 0.12500000000000 0.02298098798677 15.999 > 101 102 O 0.94847298943686 0.12500000000000 0.02298098798677 15.999 > 101 103 O 0.44847298943686 0.62500000000000 0.02298098798677 15.999 > 101 104 O 0.94847298943686 0.62500000000000 0.02298098798677 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2677591 0.0000000 0.1043378 0.0000000 5.7308130 0.0000000 0.1043387 0.0000000 5.2395764 -------------------------- Born effective charges -------------------------- 1 Ho 4.9275149 0.0000000 0.5219552 0.0000000 3.8607082 0.0000000 0.2586125 0.0000000 3.5965933 2 Ho 4.9275149 0.0000000 0.5219552 0.0000000 3.8607082 0.0000000 0.2586125 0.0000000 3.5965933 3 Ta 7.4286717 1.5659303 -0.9792905 -1.7236496 9.3420495 0.3273673 1.7459338 0.0161949 7.9714136 4 Ta 7.4286717 -1.5659303 -0.9792905 1.7236496 9.3420495 -0.3273673 1.7459338 -0.0161949 7.9714136 5 Ta 6.2734055 0.2833244 0.4661302 -1.1419912 7.1366740 -0.4119358 -0.5917220 -0.1003929 6.6373651 6 Ta 6.2734055 -0.2833244 0.4661302 1.1419912 7.1366740 0.4119358 -0.5917220 0.1003929 6.6373651 7 Ta 6.2734055 -0.2833244 0.4661302 1.1419912 7.1366740 0.4119358 -0.5917220 0.1003929 6.6373651 8 Ta 6.2734055 0.2833244 0.4661302 -1.1419912 7.1366740 -0.4119358 -0.5917220 -0.1003929 6.6373651 9 O -1.4115695 0.0000000 0.2320380 0.0000000 -7.1386210 0.0000000 -0.1429024 0.0000000 -1.3581070 10 O -3.5678404 0.2819401 1.6896667 0.4888456 -1.7302104 0.3581695 1.4810649 0.3709083 -3.3924713 11 O -3.5678404 -0.2819401 1.6896667 -0.4888456 -1.7302104 -0.3581695 1.4810649 -0.3709083 -3.3924713 12 O -2.7960604 0.2880137 0.3574294 0.2999675 -2.0668934 -0.3168887 0.7195090 -0.2406701 -3.2404526 13 O -2.7960604 -0.2880137 0.3574294 -0.2999675 -2.0668934 0.3168887 0.7195090 0.2406701 -3.2404526 14 O -1.7972885 0.0000000 -0.5408803 0.0000000 -5.1020872 0.0000000 -0.5425802 0.0000000 -1.7722769 15 O -3.4780997 -0.1134864 -2.2815142 0.0097620 -1.2339935 0.1190308 -2.5176553 0.0843561 -3.5641079 16 O -3.4780997 0.1134864 -2.2815142 -0.0097620 -1.2339935 -0.1190308 -2.5176553 -0.0843561 -3.5641079 17 O -2.0101387 0.0000000 0.3027535 0.0000000 -5.1732029 0.0000000 0.4985431 0.0000000 -1.3182895 18 O -2.0101387 0.0000000 0.3027535 0.0000000 -5.1732029 0.0000000 0.4985431 0.0000000 -1.3182895 19 O -3.4780997 -0.1134864 -2.2815142 0.0097620 -1.2339935 0.1190308 -2.5176553 0.0843561 -3.5641079 20 O -3.4780997 0.1134864 -2.2815142 -0.0097620 -1.2339935 -0.1190308 -2.5176553 -0.0843561 -3.5641079 21 O -1.7972885 0.0000000 -0.5408803 0.0000000 -5.1020872 0.0000000 -0.5425802 0.0000000 -1.7722769 22 O -2.7960604 0.2880137 0.3574294 0.2999675 -2.0668934 -0.3168887 0.7195090 -0.2406701 -3.2404526 23 O -2.7960604 -0.2880137 0.3574294 -0.2999675 -2.0668934 0.3168887 0.7195090 0.2406701 -3.2404526 24 O -3.5678404 0.2819401 1.6896667 0.4888456 -1.7302104 0.3581695 1.4810649 0.3709083 -3.3924713 25 O -3.5678404 -0.2819401 1.6896667 -0.4888456 -1.7302104 -0.3581695 1.4810649 -0.3709083 -3.3924713 26 O -1.4115695 0.0000000 0.2320380 0.0000000 -7.1386210 0.0000000 -0.1429024 0.0000000 -1.3581070 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000010 (xxx) 0.00000010 (xxx) 0.00000010 (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 ... [ 10 7 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 301, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 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 0.923 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.779 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 5.804 ( 0.000 0.000 0.000) 0.000 5.843 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.354 ( 0.000 0.000 0.000) 0.000 6.641 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.877 ( 0.000 0.000 0.000) 0.000 8.344 ( 0.000 0.000 0.000) 0.000 8.441 ( 0.000 0.000 0.000) 0.000 8.566 ( 0.000 0.000 0.000) 0.000 9.023 ( 0.000 0.000 0.000) 0.000 9.108 ( 0.000 0.000 0.000) 0.000 9.245 ( 0.000 0.000 0.000) 0.000 9.480 ( 0.000 0.000 0.000) 0.000 9.932 ( 0.000 0.000 0.000) 0.000 10.041 ( 0.000 0.000 0.000) 0.000 10.352 ( 0.000 0.000 0.000) 0.000 10.632 ( 0.000 0.000 0.000) 0.000 10.746 ( 0.000 0.000 0.000) 0.000 10.866 ( 0.000 0.000 0.000) 0.000 10.876 ( 0.000 0.000 0.000) 0.000 11.213 ( 0.000 0.000 0.000) 0.000 11.566 ( 0.000 0.000 0.000) 0.000 11.735 ( 0.000 0.000 0.000) 0.000 11.800 ( 0.000 0.000 0.000) 0.000 11.861 ( 0.000 0.000 0.000) 0.000 11.984 ( 0.000 0.000 0.000) 0.000 12.606 ( 0.000 0.000 0.000) 0.000 12.660 ( 0.000 0.000 0.000) 0.000 13.138 ( 0.000 0.000 0.000) 0.000 13.222 ( 0.000 0.000 0.000) 0.000 13.814 ( 0.000 0.000 0.000) 0.000 13.990 ( 0.000 0.000 0.000) 0.000 14.023 ( 0.000 0.000 0.000) 0.000 14.224 ( 0.000 0.000 0.000) 0.000 14.363 ( 0.000 0.000 0.000) 0.000 14.884 ( 0.000 0.000 0.000) 0.000 14.912 ( 0.000 0.000 0.000) 0.000 16.651 ( 0.000 0.000 0.000) 0.000 16.856 ( 0.000 0.000 0.000) 0.000 17.638 ( 0.000 0.000 0.000) 0.000 17.840 ( 0.000 0.000 0.000) 0.000 18.145 ( 0.000 0.000 0.000) 0.000 18.546 ( 0.000 0.000 0.000) 0.000 18.939 ( 0.000 0.000 0.000) 0.000 19.311 ( 0.000 0.000 0.000) 0.000 19.764 ( 0.000 0.000 0.000) 0.000 20.553 ( 0.000 0.000 0.000) 0.000 21.290 ( 0.000 0.000 0.000) 0.000 24.472 ( 0.000 0.000 0.000) 0.000 25.742 ( 0.000 0.000 0.000) 0.000 25.757 ( 0.000 0.000 0.000) 0.000 27.816 ( 0.000 0.000 0.000) 0.000 28.471 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 21.398 0.000 4.765) 21.922 0.717 ( 35.617 0.000 17.363) 39.623 0.966 ( 5.697 0.000 0.439) 5.714 0.998 ( 51.287 0.000 -1.266) 51.302 1.917 ( 2.703 0.000 3.077) 4.095 2.297 ( -0.205 0.000 -0.762) 0.789 2.603 ( 3.333 0.000 2.003) 3.889 2.850 ( 3.135 0.000 -1.403) 3.434 3.179 ( -15.259 0.000 -10.322) 18.422 3.333 ( -2.556 0.000 0.426) 2.591 3.656 ( -2.739 0.000 1.925) 3.347 3.683 ( 1.215 0.000 9.298) 9.377 3.753 ( -9.766 0.000 -6.840) 11.923 4.103 ( -11.476 0.000 4.065) 12.175 4.182 ( -12.306 0.000 6.232) 13.794 4.328 ( -0.138 0.000 -12.602) 12.603 4.450 ( 2.403 0.000 1.926) 3.080 4.610 ( 6.934 0.000 -13.118) 14.838 5.011 ( 16.105 0.000 -9.297) 18.596 5.438 ( 3.656 0.000 -22.232) 22.530 5.591 ( 5.369 0.000 15.503) 16.406 5.745 ( -4.999 0.000 19.408) 20.042 5.875 ( 2.311 0.000 -15.936) 16.103 6.042 ( -2.996 0.000 -7.809) 8.364 6.120 ( -0.435 0.000 14.824) 14.831 6.365 ( 0.615 0.000 6.543) 6.572 6.594 ( -3.527 0.000 0.211) 3.533 7.156 ( 10.324 0.000 -3.618) 10.940 7.311 ( 11.342 0.000 -13.968) 17.993 7.632 ( -3.545 0.000 0.944) 3.669 7.853 ( -2.362 0.000 -0.821) 2.500 8.420 ( -2.248 0.000 3.793) 4.409 8.532 ( 1.675 0.000 6.332) 6.550 8.548 ( -2.106 0.000 5.115) 5.531 9.010 ( -9.104 0.000 -0.903) 9.149 9.026 ( 0.328 0.000 -5.221) 5.232 9.259 ( -0.270 0.000 5.637) 5.643 9.754 ( -10.107 0.000 0.724) 10.133 9.990 ( 10.353 0.000 11.455) 15.441 10.213 ( 8.560 0.000 4.698) 9.765 10.514 ( -7.141 0.000 0.266) 7.146 10.749 ( 1.108 0.000 -10.876) 10.933 10.771 ( 3.211 0.000 2.147) 3.862 10.904 ( 2.786 0.000 1.529) 3.178 11.232 ( 2.500 0.000 -1.283) 2.810 11.519 ( -3.790 0.000 8.378) 9.195 11.583 ( -1.901 0.000 -0.891) 2.099 11.751 ( -7.927 0.000 0.135) 7.928 11.801 ( 6.069 0.000 -7.393) 9.565 12.066 ( 4.820 0.000 -3.386) 5.891 12.533 ( -8.672 0.000 7.707) 11.602 12.584 ( -1.904 0.000 -4.616) 4.994 13.013 ( 2.451 0.000 34.635) 34.722 13.191 ( -2.531 0.000 2.663) 3.674 13.474 ( -2.875 0.000 -22.712) 22.894 13.801 ( -1.297 0.000 -3.085) 3.347 14.052 ( 0.708 0.000 -7.708) 7.740 14.071 ( 7.986 0.000 -1.485) 8.123 14.218 ( 0.468 0.000 -0.957) 1.065 14.911 ( 2.781 0.000 0.701) 2.868 14.912 ( 0.444 0.000 -0.553) 0.709 15.304 ( 6.224 0.000 -52.082) 52.452 16.621 ( -3.255 0.000 2.383) 4.034 17.307 ( 5.755 0.000 -61.096) 61.366 17.620 ( -2.345 0.000 4.541) 5.111 17.806 ( -2.729 0.000 3.972) 4.819 18.112 ( -3.520 0.000 1.427) 3.798 18.605 ( 5.914 0.000 -7.529) 9.574 19.168 ( -14.099 0.000 -3.112) 14.438 19.724 ( -3.543 0.000 2.569) 4.377 20.583 ( 2.898 0.000 -0.267) 2.911 21.270 ( -2.024 0.000 0.978) 2.248 22.010 ( 18.567 0.000 -70.881) 73.273 25.651 ( -4.355 0.000 -8.694) 9.724 25.848 ( 4.542 0.000 6.424) 7.868 26.343 ( -23.698 0.000 138.194) 140.211 27.879 ( 4.611 0.000 14.758) 15.462 28.474 ( 0.148 0.000 0.977) 0.988 ======================= Grid point 2 (3/128) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 6.022 0.000 0.327) 6.031 1.211 ( 18.828 0.000 3.028) 19.070 1.377 ( 31.426 0.000 14.274) 34.516 1.945 ( 46.977 0.000 -2.228) 47.030 1.995 ( 5.179 0.000 2.331) 5.679 2.293 ( -0.123 0.000 -1.075) 1.082 2.663 ( 2.252 0.000 1.950) 2.979 2.815 ( -16.924 0.000 -9.640) 19.477 2.945 ( 2.809 0.000 -1.689) 3.278 3.259 ( -5.145 0.000 0.615) 5.182 3.483 ( -16.750 0.000 -5.767) 17.715 3.589 ( -4.556 0.000 5.390) 7.058 3.674 ( -2.785 0.000 3.471) 4.450 3.841 ( -13.922 0.000 -1.080) 13.964 3.937 ( -13.317 0.000 14.217) 19.480 4.308 ( -1.119 0.000 -1.989) 2.283 4.628 ( 14.004 0.000 5.338) 14.987 4.722 ( 5.181 0.000 -4.401) 6.798 5.233 ( 4.903 0.000 -4.945) 6.963 5.515 ( 4.574 0.000 -16.365) 16.992 5.695 ( 4.713 0.000 -2.788) 5.476 5.705 ( 1.374 0.000 11.658) 11.739 5.898 ( 1.894 0.000 -11.232) 11.391 5.976 ( -2.885 0.000 -5.004) 5.776 6.106 ( -2.146 0.000 12.055) 12.245 6.388 ( 1.272 0.000 2.946) 3.208 6.543 ( -1.532 0.000 -0.029) 1.532 7.412 ( 15.415 0.000 -6.607) 16.771 7.533 ( 11.432 0.000 -8.779) 14.414 7.537 ( -6.110 0.000 0.894) 6.176 7.799 ( -2.332 0.000 -0.067) 2.332 8.365 ( -3.861 0.000 7.721) 8.633 8.493 ( -4.268 0.000 8.548) 9.555 8.604 ( 5.554 0.000 4.783) 7.329 8.794 ( -12.590 0.000 -2.545) 12.845 9.021 ( -0.227 0.000 -6.666) 6.669 9.258 ( -0.474 0.000 4.377) 4.402 9.596 ( -6.449 0.000 -0.508) 6.469 10.226 ( 12.337 0.000 1.337) 12.410 10.297 ( -0.242 0.000 8.644) 8.648 10.398 ( -4.732 0.000 1.035) 4.844 10.733 ( -1.006 0.000 -9.480) 9.533 10.910 ( 11.162 0.000 2.306) 11.398 10.936 ( -0.235 0.000 0.082) 0.248 11.306 ( 4.665 0.000 -4.164) 6.253 11.456 ( -4.053 0.000 8.138) 9.092 11.498 ( -6.725 0.000 -0.304) 6.732 11.609 ( -5.783 0.000 2.132) 6.163 11.903 ( 4.096 0.000 -5.011) 6.472 12.070 ( -3.990 0.000 -5.030) 6.420 12.471 ( 2.347 0.000 0.350) 2.373 12.538 ( -1.754 0.000 -11.422) 11.556 13.043 ( -0.787 0.000 11.723) 11.750 13.167 ( 0.445 0.000 3.701) 3.728 13.410 ( -2.306 0.000 -7.330) 7.685 13.754 ( -3.573 0.000 0.534) 3.613 14.004 ( -4.230 0.000 -4.738) 6.352 14.262 ( 3.523 0.000 -7.088) 7.916 14.265 ( 11.551 0.000 -1.690) 11.674 14.938 ( 2.398 0.000 -3.097) 3.917 14.996 ( 6.304 0.000 0.945) 6.374 15.391 ( 5.387 0.000 -14.493) 15.462 16.531 ( -6.362 0.000 4.039) 7.536 17.401 ( 7.533 0.000 -18.332) 19.819 17.554 ( -4.730 0.000 8.194) 9.462 17.775 ( -0.576 0.000 1.752) 1.844 18.015 ( -6.572 0.000 3.045) 7.243 18.730 ( 7.195 0.000 -8.971) 11.500 18.826 ( -19.215 0.000 -6.596) 20.316 19.642 ( -5.617 0.000 4.929) 7.473 20.650 ( 3.711 0.000 -0.211) 3.717 21.222 ( -2.858 0.000 1.311) 3.144 22.367 ( 21.157 0.000 -25.372) 33.036 25.575 ( -2.667 0.000 -8.067) 8.496 25.928 ( -25.887 0.000 44.243) 51.260 25.934 ( 4.032 0.000 4.450) 6.005 27.969 ( 2.661 0.000 15.458) 15.686 28.474 ( -0.380 0.000 1.527) 1.574 ======================= Grid point 3 (4/128) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 2.112 0.000 -1.530) 2.608 1.588 ( 18.583 0.000 3.167) 18.850 1.932 ( 24.808 0.000 11.150) 27.198 2.116 ( 7.147 0.000 -1.518) 7.306 2.292 ( 0.152 0.000 -0.813) 0.827 2.461 ( -15.750 0.000 -5.957) 16.839 2.693 ( 1.200 0.000 0.129) 1.207 2.731 ( 27.380 0.000 -4.617) 27.766 3.045 ( 7.131 0.000 -1.637) 7.316 3.145 ( -6.456 0.000 0.990) 6.531 3.165 ( -9.980 0.000 -7.663) 12.582 3.484 ( -6.923 0.000 3.058) 7.568 3.574 ( -8.521 0.000 -1.899) 8.730 3.604 ( -10.390 0.000 0.851) 10.425 3.746 ( -5.990 0.000 15.733) 16.835 4.291 ( -0.574 0.000 3.650) 3.695 4.775 ( -0.127 0.000 -3.967) 3.969 4.932 ( 14.263 0.000 14.166) 20.103 5.199 ( -3.947 0.000 -5.679) 6.916 5.545 ( -0.359 0.000 -7.739) 7.747 5.752 ( -0.362 0.000 -1.436) 1.481 5.758 ( 1.732 0.000 -3.470) 3.879 5.951 ( 1.458 0.000 -7.976) 8.108 6.007 ( 11.326 0.000 -3.411) 11.829 6.057 ( -3.958 0.000 9.828) 10.595 6.412 ( 0.785 0.000 0.659) 1.025 6.530 ( -0.040 0.000 -1.091) 1.092 7.378 ( -9.486 0.000 1.387) 9.586 7.668 ( 2.826 0.000 -9.235) 9.658 7.716 ( 15.074 0.000 -9.963) 18.069 7.829 ( 5.992 0.000 4.781) 7.666 8.291 ( -4.488 0.000 7.861) 9.052 8.404 ( -5.610 0.000 9.940) 11.414 8.540 ( -12.826 0.000 -3.055) 13.185 8.753 ( 8.855 0.000 5.643) 10.500 9.023 ( 1.480 0.000 -3.931) 4.200 9.240 ( -1.818 0.000 2.305) 2.936 9.487 ( -5.451 0.000 -2.324) 5.926 10.266 ( -2.570 0.000 7.360) 7.795 10.328 ( -2.123 0.000 -0.627) 2.213 10.431 ( 7.624 0.000 0.132) 7.625 10.695 ( -2.506 0.000 -9.632) 9.953 10.927 ( 1.086 0.000 -4.384) 4.517 11.162 ( 13.680 0.000 2.506) 13.908 11.317 ( -8.471 0.000 0.755) 8.505 11.364 ( 1.131 0.000 -5.492) 5.607 11.392 ( -5.376 0.000 3.402) 6.362 11.547 ( -2.109 0.000 9.499) 9.730 11.937 ( -0.297 0.000 3.860) 3.871 11.980 ( -3.602 0.000 -3.314) 4.895 12.514 ( 0.783 0.000 -17.021) 17.039 12.547 ( 3.963 0.000 -4.139) 5.730 13.040 ( 0.316 0.000 6.286) 6.294 13.214 ( 3.547 0.000 2.566) 4.378 13.362 ( -2.525 0.000 -2.837) 3.798 13.676 ( -4.061 0.000 4.964) 6.414 13.917 ( -4.068 0.000 -5.657) 6.968 14.314 ( 2.366 0.000 -6.864) 7.260 14.474 ( 9.369 0.000 -0.862) 9.409 14.992 ( 3.379 0.000 -6.167) 7.032 15.170 ( 12.080 0.000 0.796) 12.106 15.472 ( 3.497 0.000 -2.138) 4.099 16.388 ( -8.637 0.000 3.682) 9.389 17.473 ( -4.015 0.000 7.042) 8.106 17.552 ( 8.155 0.000 1.590) 8.308 17.778 ( 0.512 0.000 0.589) 0.780 17.877 ( -7.825 0.000 3.798) 8.698 18.483 ( -14.336 0.000 -12.101) 18.760 18.849 ( 5.614 0.000 -6.920) 8.911 19.512 ( -8.310 0.000 5.574) 10.006 20.708 ( 2.082 0.000 0.294) 2.103 21.175 ( -1.897 0.000 0.766) 2.046 22.734 ( 17.792 0.000 -8.777) 19.839 25.478 ( -22.443 0.000 13.432) 26.156 25.536 ( -0.899 0.000 -6.138) 6.203 26.011 ( 3.666 0.000 2.594) 4.490 28.000 ( -0.357 0.000 11.386) 11.391 28.460 ( -1.226 0.000 1.465) 1.910 ======================= Grid point 4 (5/128) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 1.285 0.000 -1.297) 1.826 1.899 ( 13.082 0.000 1.897) 13.219 2.155 ( -8.025 0.000 1.145) 8.107 2.231 ( 3.673 0.000 -2.699) 4.558 2.297 ( 0.302 0.000 -0.184) 0.354 2.388 ( 14.881 0.000 1.691) 14.976 2.729 ( 3.183 0.000 -2.563) 4.087 2.832 ( -7.160 0.000 -1.506) 7.317 2.918 ( -3.886 0.000 -6.244) 7.355 3.030 ( -5.208 0.000 0.544) 5.236 3.351 ( -5.783 0.000 -4.575) 7.374 3.373 ( -9.802 0.000 2.356) 10.082 3.440 ( -7.304 0.000 9.309) 11.832 3.537 ( 18.184 0.000 2.615) 18.371 3.771 ( 11.040 0.000 -2.946) 11.426 4.294 ( 0.593 0.000 9.156) 9.175 4.683 ( -9.308 0.000 -4.812) 10.478 5.003 ( -4.619 0.000 13.166) 13.953 5.303 ( 12.147 0.000 -8.842) 15.025 5.511 ( -1.898 0.000 -4.465) 4.852 5.703 ( -3.674 0.000 -0.045) 3.674 5.780 ( 1.808 0.000 2.047) 2.731 5.953 ( -4.247 0.000 0.379) 4.264 6.016 ( 1.848 0.000 -2.547) 3.147 6.251 ( 12.396 0.000 -1.459) 12.481 6.415 ( -0.365 0.000 1.034) 1.096 6.534 ( 0.439 0.000 -2.091) 2.136 7.182 ( -10.240 0.000 0.558) 10.255 7.705 ( 2.492 0.000 -4.923) 5.518 7.947 ( 9.216 0.000 -9.408) 13.170 7.959 ( 5.907 0.000 4.052) 7.163 8.211 ( -4.276 0.000 4.997) 6.577 8.310 ( -4.472 0.000 8.692) 9.775 8.320 ( -9.064 0.000 -2.633) 9.439 8.929 ( 8.090 0.000 4.795) 9.405 9.082 ( 4.734 0.000 0.289) 4.743 9.195 ( -2.727 0.000 0.365) 2.752 9.371 ( -6.306 0.000 -3.318) 7.125 10.233 ( -1.209 0.000 4.007) 4.186 10.295 ( -1.368 0.000 -2.655) 2.987 10.520 ( 2.000 0.000 1.529) 2.518 10.629 ( -2.905 0.000 -5.352) 6.089 10.976 ( 3.230 0.000 -7.057) 7.762 11.194 ( -4.300 0.000 -0.065) 4.301 11.310 ( -2.182 0.000 2.159) 3.069 11.331 ( -1.159 0.000 -2.665) 2.906 11.415 ( 9.637 0.000 -0.469) 9.648 11.508 ( -3.010 0.000 9.327) 9.800 11.906 ( -3.078 0.000 6.796) 7.460 11.938 ( -0.843 0.000 -1.621) 1.827 12.537 ( 2.373 0.000 -12.842) 13.059 12.593 ( 1.293 0.000 -3.474) 3.707 13.064 ( 1.231 0.000 2.718) 2.984 13.281 ( 2.709 0.000 1.050) 2.905 13.314 ( -1.904 0.000 -0.142) 1.910 13.629 ( -1.300 0.000 5.972) 6.111 13.841 ( -3.108 0.000 -6.109) 6.854 14.340 ( 0.903 0.000 -3.634) 3.744 14.601 ( 3.978 0.000 -0.146) 3.981 15.048 ( 2.690 0.000 -5.262) 5.910 15.440 ( 14.379 0.000 1.006) 14.415 15.517 ( 1.326 0.000 1.140) 1.749 16.217 ( -8.949 0.000 1.210) 9.031 17.418 ( -2.145 0.000 4.014) 4.551 17.671 ( 2.720 0.000 10.032) 10.394 17.739 ( -5.824 0.000 2.556) 6.360 17.792 ( 0.375 0.000 0.435) 0.574 18.303 ( -2.907 0.000 -14.365) 14.656 18.928 ( 2.973 0.000 -3.645) 4.704 19.351 ( -7.914 0.000 4.292) 9.003 20.729 ( 0.285 0.000 0.550) 0.619 21.153 ( -0.483 0.000 0.095) 0.492 23.007 ( 10.575 0.000 -1.581) 10.693 25.130 ( -13.524 0.000 1.919) 13.660 25.524 ( -0.054 0.000 -3.280) 3.281 26.075 ( 2.528 0.000 1.127) 2.768 27.988 ( -1.214 0.000 6.019) 6.140 28.435 ( -1.243 0.000 0.877) 1.521 ======================= Grid point 5 (6/128) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.000 0.000 0.000) 0.000 2.047 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.297 ( 0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 -0.000) 0.000 2.764 ( 0.000 0.000 -0.000) 0.000 2.783 ( 0.000 0.000 -0.000) 0.000 2.861 ( 0.000 0.000 -0.000) 0.000 2.967 ( 0.000 0.000 -0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 -0.000) 0.000 3.365 ( -0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 -0.000) 0.000 4.009 ( 0.000 0.000 -0.000) 0.000 4.342 ( -0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 -0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.650 ( 0.000 0.000 -0.000) 0.000 5.831 ( -0.000 0.000 -0.000) 0.000 5.873 ( 0.000 0.000 -0.000) 0.000 6.041 ( 0.000 0.000 0.000) 0.000 6.395 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 -0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 7.059 ( -0.000 0.000 0.000) 0.000 7.735 ( 0.000 0.000 -0.000) 0.000 8.032 ( 0.000 0.000 -0.000) 0.000 8.035 ( 0.000 0.000 -0.000) 0.000 8.154 ( 0.000 0.000 0.000) 0.000 8.226 ( 0.000 0.000 -0.000) 0.000 8.266 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.157 ( 0.000 0.000 -0.000) 0.000 9.163 ( 0.000 0.000 0.000) 0.000 9.276 ( -0.000 0.000 0.000) 0.000 10.224 ( 0.000 0.000 0.000) 0.000 10.277 ( 0.000 0.000 0.000) 0.000 10.536 ( 0.000 0.000 0.000) 0.000 10.597 ( 0.000 0.000 -0.000) 0.000 11.008 ( 0.000 0.000 -0.000) 0.000 11.146 ( 0.000 0.000 -0.000) 0.000 11.308 ( 0.000 0.000 0.000) 0.000 11.309 ( 0.000 0.000 -0.000) 0.000 11.471 ( 0.000 0.000 0.000) 0.000 11.527 ( 0.000 0.000 -0.000) 0.000 11.866 ( 0.000 0.000 0.000) 0.000 11.932 ( 0.000 0.000 -0.000) 0.000 12.559 ( 0.000 0.000 0.000) 0.000 12.602 ( 0.000 0.000 -0.000) 0.000 13.077 ( 0.000 0.000 -0.000) 0.000 13.297 ( 0.000 0.000 0.000) 0.000 13.308 ( 0.000 0.000 -0.000) 0.000 13.623 ( 0.000 0.000 0.000) 0.000 13.804 ( 0.000 0.000 -0.000) 0.000 14.347 ( 0.000 0.000 0.000) 0.000 14.637 ( 0.000 0.000 0.000) 0.000 15.074 ( 0.000 0.000 -0.000) 0.000 15.529 ( 0.000 0.000 0.000) 0.000 15.614 ( 0.000 0.000 -0.000) 0.000 16.105 ( 0.000 0.000 -0.000) 0.000 17.399 ( 0.000 0.000 -0.000) 0.000 17.678 ( 0.000 0.000 0.000) 0.000 17.690 ( 0.000 0.000 -0.000) 0.000 17.796 ( 0.000 0.000 0.000) 0.000 18.290 ( 0.000 0.000 -0.000) 0.000 18.955 ( 0.000 0.000 -0.000) 0.000 19.266 ( 0.000 0.000 -0.000) 0.000 20.731 ( 0.000 0.000 0.000) 0.000 21.150 ( 0.000 0.000 0.000) 0.000 23.112 ( 0.000 0.000 -0.000) 0.000 24.996 ( 0.000 0.000 0.000) 0.000 25.523 ( 0.000 0.000 0.000) 0.000 26.101 ( 0.000 0.000 0.000) 0.000 27.977 ( 0.000 0.000 -0.000) 0.000 28.422 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/128) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 0.000 24.593 0.000) 24.593 0.548 ( 0.000 27.548 0.000) 27.548 1.247 ( 0.000 61.536 0.000) 61.536 1.743 ( 0.000 12.042 0.000) 12.042 2.093 ( 0.000 36.180 0.000) 36.180 2.519 ( 0.000 -3.503 0.000) 3.503 2.541 ( 0.000 19.715 0.000) 19.715 2.840 ( 0.000 2.365 0.000) 2.365 3.378 ( 0.000 0.687 0.000) 0.687 3.458 ( 0.000 10.481 0.000) 10.481 3.629 ( 0.000 -4.497 0.000) 4.497 3.694 ( 0.000 4.249 0.000) 4.249 3.820 ( 0.000 3.842 0.000) 3.842 4.166 ( 0.000 8.916 0.000) 8.916 4.371 ( 0.000 3.129 0.000) 3.129 4.500 ( 0.000 -0.159 0.000) 0.159 4.518 ( 0.000 1.634 0.000) 1.634 4.738 ( 0.000 1.103 0.000) 1.103 5.035 ( 0.000 1.324 0.000) 1.324 5.327 ( 0.000 -3.505 0.000) 3.505 5.507 ( 0.000 4.411 0.000) 4.411 5.572 ( 0.000 5.144 0.000) 5.144 5.854 ( 0.000 0.657 0.000) 0.657 6.083 ( 0.000 -1.881 0.000) 1.881 6.273 ( 0.000 -7.271 0.000) 7.271 6.279 ( 0.000 2.384 0.000) 2.384 6.694 ( 0.000 5.973 0.000) 5.973 7.042 ( 0.000 -9.178 0.000) 9.178 7.679 ( 0.000 -1.647 0.000) 1.647 7.775 ( 0.000 -8.920 0.000) 8.920 8.191 ( 0.000 -7.647 0.000) 7.647 8.419 ( 0.000 -2.189 0.000) 2.189 8.601 ( 0.000 -0.557 0.000) 0.557 8.665 ( 0.000 3.916 0.000) 3.916 9.032 ( 0.000 -3.381 0.000) 3.381 9.265 ( 0.000 0.086 0.000) 0.086 9.283 ( 0.000 4.843 0.000) 4.843 9.570 ( 0.000 9.752 0.000) 9.752 9.812 ( 0.000 -9.892 0.000) 9.892 10.431 ( 0.000 5.721 0.000) 5.721 10.456 ( 0.000 -12.527 0.000) 12.527 10.760 ( 0.000 -2.464 0.000) 2.464 10.827 ( 0.000 -3.674 0.000) 3.674 10.924 ( 0.000 8.724 0.000) 8.724 11.222 ( 0.000 1.657 0.000) 1.657 11.583 ( 0.000 1.709 0.000) 1.709 11.681 ( 0.000 -7.909 0.000) 7.909 11.837 ( 0.000 6.355 0.000) 6.355 11.904 ( 0.000 9.325 0.000) 9.325 11.956 ( 0.000 -1.537 0.000) 1.537 12.150 ( 0.000 17.208 0.000) 17.208 12.565 ( 0.000 -4.916 0.000) 4.916 12.615 ( 0.000 -4.123 0.000) 4.123 13.072 ( 0.000 -3.219 0.000) 3.219 13.296 ( 0.000 4.541 0.000) 4.541 13.716 ( 0.000 -8.710 0.000) 8.710 13.958 ( 0.000 -6.396 0.000) 6.396 14.171 ( 0.000 -5.235 0.000) 5.235 14.348 ( 0.000 -1.313 0.000) 1.313 14.692 ( 0.000 -1.824 0.000) 1.824 15.018 ( 0.000 15.173 0.000) 15.173 16.407 ( 0.000 29.469 0.000) 29.469 16.747 ( 0.000 -6.268 0.000) 6.268 16.869 ( 0.000 16.343 0.000) 16.343 17.757 ( 0.000 1.304 0.000) 1.304 18.166 ( 0.000 1.889 0.000) 1.889 18.524 ( 0.000 -2.108 0.000) 2.108 19.061 ( 0.000 12.267 0.000) 12.267 19.227 ( 0.000 -8.549 0.000) 8.549 19.766 ( 0.000 0.663 0.000) 0.663 20.517 ( 0.000 -3.311 0.000) 3.311 21.207 ( 0.000 -8.683 0.000) 8.683 24.526 ( 0.000 5.729 0.000) 5.729 24.575 ( 0.000 8.225 0.000) 8.225 25.702 ( 0.000 -4.093 0.000) 4.093 25.755 ( 0.000 -4.971 0.000) 4.971 27.822 ( 0.000 0.879 0.000) 0.879 28.450 ( 0.000 -2.483 0.000) 2.483 ======================= Grid point 12 (8/128) ======================= q-point: ( 0.10 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 28.273 12.781 15.602) 34.729 0.941 ( 27.174 19.774 -3.680) 33.808 1.471 ( 23.525 48.467 3.770) 54.006 1.766 ( 3.229 20.691 0.544) 20.948 2.060 ( -1.543 35.546 2.393) 35.660 2.534 ( -0.226 16.842 -1.745) 16.934 2.571 ( 4.071 -0.756 3.362) 5.334 2.860 ( 1.981 1.354 -1.177) 2.672 3.239 ( -13.877 4.894 -7.872) 16.689 3.316 ( -7.547 3.038 -3.985) 9.059 3.667 ( 1.009 -3.035 5.156) 6.067 3.718 ( -5.265 4.107 7.061) 9.719 3.770 ( -1.066 7.426 -4.314) 8.654 4.084 ( -9.207 3.844 15.735) 18.631 4.262 ( -14.710 3.875 3.327) 15.572 4.293 ( -4.460 1.689 3.391) 5.852 4.606 ( 5.931 2.786 -3.855) 7.603 4.837 ( -3.545 10.617 -13.258) 17.351 5.018 ( 12.673 1.187 -5.582) 13.899 5.328 ( -0.305 -8.922 1.111) 8.996 5.540 ( 3.354 6.207 2.304) 7.422 5.718 ( 7.892 1.653 -4.361) 9.166 5.872 ( 2.679 -0.448 -11.991) 12.295 6.087 ( -0.199 -0.861 0.530) 1.030 6.254 ( -0.994 -3.565 -2.344) 4.381 6.312 ( 2.229 -0.528 7.711) 8.044 6.628 ( -5.207 6.846 1.949) 8.819 7.152 ( 9.033 -8.210 -0.770) 12.231 7.663 ( -1.654 1.714 1.892) 3.042 7.718 ( -5.014 -2.945 -4.621) 7.428 8.053 ( -14.557 28.876 -3.213) 32.497 8.196 ( -7.061 -9.776 6.688) 13.789 8.446 ( 1.420 -0.732 3.815) 4.136 8.813 ( -5.799 6.643 -0.387) 8.826 8.867 ( 3.166 -7.678 -5.401) 9.907 9.137 ( -5.076 2.171 4.508) 7.128 9.338 ( -2.058 8.554 3.300) 9.397 9.666 ( -2.867 -0.666 -3.028) 4.223 10.004 ( 13.555 -7.501 5.742) 16.522 10.256 ( -1.533 3.324 5.188) 6.349 10.501 ( -2.175 0.769 -1.451) 2.725 10.735 ( -5.337 -2.529 -3.864) 7.057 10.817 ( 3.085 2.594 2.428) 4.706 11.004 ( 4.156 8.974 1.105) 9.952 11.129 ( 1.291 -5.268 4.182) 6.848 11.566 ( -2.371 1.494 3.257) 4.297 11.637 ( -5.836 -3.328 -0.854) 6.772 11.714 ( -5.343 8.203 0.806) 9.822 11.922 ( 3.107 9.837 -6.570) 12.230 12.015 ( 4.232 -4.397 -5.088) 7.945 12.445 ( -4.424 -5.626 9.600) 11.974 12.600 ( -1.340 -1.072 -3.315) 3.733 12.735 ( 24.044 -11.128 -1.483) 26.535 13.135 ( 5.592 -7.365 -9.364) 13.161 13.268 ( -2.168 3.328 -0.259) 3.981 13.673 ( -3.108 -8.004 0.217) 8.589 13.965 ( 0.242 -6.105 -4.916) 7.842 14.155 ( -1.464 -5.363 1.492) 5.755 14.325 ( 1.872 2.570 3.693) 4.872 14.839 ( 8.517 -7.874 -6.559) 13.325 15.079 ( 7.816 17.189 -0.407) 18.887 16.010 ( -25.170 43.985 -2.779) 50.754 16.822 ( -2.117 17.186 -4.953) 18.010 16.987 ( 12.392 -8.928 -16.133) 22.216 17.686 ( -6.421 2.119 8.132) 10.576 18.072 ( -10.184 2.499 5.313) 11.756 18.509 ( -23.551 28.012 -4.838) 36.915 18.587 ( 3.894 -0.079 -7.347) 8.316 19.138 ( -11.133 -5.658 -7.736) 14.690 19.867 ( 0.366 8.692 -3.603) 9.416 20.550 ( 2.881 -3.473 -0.325) 4.524 21.177 ( -1.993 -8.417 0.295) 8.654 22.825 ( -34.552 57.879 -71.513) 98.275 25.571 ( -2.853 -8.758 -4.710) 10.345 25.814 ( 7.523 -4.444 14.929) 17.298 25.932 ( 8.930 -23.586 86.464) 90.067 27.846 ( 3.426 -0.848 3.535) 4.995 28.455 ( 0.439 -2.295 0.882) 2.497 ======================= Grid point 13 (9/128) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 17.397 29.846 -0.901) 34.558 1.432 ( 28.859 5.615 13.080) 32.178 1.806 ( 6.972 35.049 -0.887) 35.747 2.064 ( 4.864 18.758 4.858) 19.978 2.165 ( 34.676 25.187 0.970) 42.869 2.520 ( -1.319 15.789 -1.784) 15.944 2.652 ( 3.359 -0.324 3.214) 4.660 2.867 ( -7.298 3.919 -6.967) 10.824 2.960 ( -6.247 5.849 -4.164) 9.517 3.195 ( -5.485 -2.646 -3.284) 6.919 3.531 ( -11.867 7.063 -1.173) 13.859 3.624 ( -6.547 3.069 8.100) 10.857 3.722 ( -5.247 2.267 -0.594) 5.746 3.909 ( -8.814 2.415 21.620) 23.472 3.968 ( -14.278 6.180 -4.115) 16.093 4.292 ( 1.707 1.546 1.337) 2.663 4.706 ( 4.624 1.273 -0.103) 4.797 4.833 ( 4.881 11.160 -3.021) 12.550 5.202 ( 1.035 -2.356 1.144) 2.816 5.364 ( 7.334 -13.514 0.346) 15.380 5.623 ( 4.350 9.652 -11.642) 15.736 5.797 ( 2.670 -0.879 -7.141) 7.675 5.926 ( 2.682 1.145 -7.637) 8.175 6.063 ( -2.351 2.308 -3.890) 5.098 6.228 ( -1.467 -1.654 7.192) 7.524 6.372 ( 3.313 -1.058 0.336) 3.494 6.556 ( -1.624 10.669 4.851) 11.832 7.313 ( 6.494 -8.046 0.377) 10.347 7.659 ( 1.970 7.717 0.321) 7.971 7.680 ( 1.761 0.318 -6.189) 6.442 7.937 ( -1.144 16.077 1.635) 16.201 8.102 ( -3.240 -6.242 3.518) 7.864 8.519 ( 4.611 -1.713 4.840) 6.900 8.644 ( -7.995 -2.862 -0.121) 8.493 8.956 ( 2.610 7.071 -3.125) 8.160 9.048 ( -4.251 4.027 1.405) 6.022 9.270 ( -4.600 5.644 2.375) 7.659 9.544 ( -6.684 -3.942 -1.378) 7.881 10.199 ( 6.592 -5.517 5.291) 10.093 10.329 ( 3.789 3.101 3.969) 6.303 10.443 ( -3.167 4.949 -1.201) 5.997 10.644 ( -1.299 -5.136 -6.256) 8.198 10.934 ( 7.380 1.501 1.960) 7.781 11.033 ( 0.929 7.915 0.471) 7.984 11.242 ( 5.478 -5.634 2.652) 8.293 11.482 ( -6.656 -2.879 -4.954) 8.782 11.534 ( -2.753 7.026 6.573) 10.008 11.619 ( -4.887 4.944 1.199) 7.055 11.941 ( -1.792 -0.693 -5.710) 6.024 12.067 ( 1.744 2.283 -2.889) 4.074 12.405 ( 1.844 -4.048 1.283) 4.629 12.565 ( -1.346 1.096 -8.635) 8.808 12.989 ( 4.669 -3.670 4.613) 7.520 13.169 ( -1.225 -1.606 3.234) 3.813 13.282 ( 3.003 -7.523 -8.408) 11.675 13.639 ( -1.041 -8.145 1.153) 8.292 13.937 ( -2.879 -4.985 -5.328) 7.844 14.152 ( 2.131 -5.875 -1.168) 6.358 14.464 ( 11.627 1.820 -0.202) 11.770 14.907 ( 0.554 -3.283 -4.083) 5.269 15.307 ( 13.452 16.825 1.436) 21.589 15.642 ( -12.463 39.652 -7.459) 42.229 16.730 ( -6.860 17.224 -0.542) 18.548 17.190 ( 10.400 -10.213 -10.412) 17.913 17.586 ( -3.795 3.263 7.415) 8.946 17.879 ( -8.234 2.996 9.516) 12.935 18.235 ( -9.005 20.537 0.457) 22.429 18.700 ( 6.098 -2.794 -8.946) 11.181 18.843 ( -16.767 -1.294 -8.576) 18.877 19.786 ( -6.837 13.113 0.704) 14.806 20.614 ( 3.502 -3.908 -0.517) 5.273 21.141 ( -2.143 -8.148 1.574) 8.571 22.654 ( 8.705 28.089 -26.357) 39.490 25.498 ( -2.777 -8.154 -8.333) 11.985 25.831 ( -16.416 -7.224 33.843) 38.302 25.928 ( 2.930 -1.844 10.836) 11.376 27.926 ( 3.116 -2.846 10.432) 11.254 28.462 ( 0.011 -1.728 1.509) 2.294 ======================= Grid point 14 (10/128) ======================= q-point: ( 0.30 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 10.521 41.561 -0.511) 42.875 1.938 ( 16.973 15.612 -0.054) 23.061 1.973 ( 15.496 21.847 8.785) 28.189 2.152 ( 5.700 9.171 2.094) 10.999 2.433 ( -8.776 5.903 -4.800) 11.615 2.643 ( -3.330 19.191 -0.277) 19.480 2.704 ( 2.199 2.426 3.740) 4.971 2.747 ( 9.120 2.215 -5.688) 10.974 3.033 ( 4.072 2.549 -6.195) 7.840 3.135 ( 11.684 3.809 -3.471) 12.770 3.309 ( -10.309 10.944 0.397) 15.040 3.465 ( -8.937 0.664 3.222) 9.524 3.590 ( -7.538 0.336 10.809) 13.183 3.690 ( -12.780 3.051 -3.382) 13.567 3.823 ( -3.442 10.598 8.009) 13.723 4.320 ( 0.749 2.998 3.629) 4.766 4.755 ( -0.536 -1.750 -1.014) 2.092 4.992 ( 9.011 5.008 11.366) 15.345 5.155 ( -1.954 -4.208 -3.453) 5.784 5.516 ( 6.411 -10.382 -1.338) 12.275 5.637 ( -1.486 6.992 -9.627) 11.990 5.844 ( 0.552 0.879 -6.609) 6.690 5.946 ( 1.402 -1.434 -4.239) 4.689 5.993 ( -3.835 2.860 -2.870) 5.579 6.240 ( 1.927 0.094 5.225) 5.570 6.427 ( 2.244 -5.712 -3.333) 6.984 6.588 ( 4.683 20.542 4.328) 21.509 7.364 ( -1.452 -2.842 1.129) 3.385 7.702 ( 1.984 4.243 -5.780) 7.440 7.744 ( 4.207 2.804 -1.121) 5.178 7.907 ( -2.504 -9.998 7.879) 12.974 8.143 ( 6.207 13.252 -1.182) 14.681 8.452 ( -6.198 2.340 -4.189) 7.839 8.695 ( 8.359 -4.878 4.993) 10.890 8.902 ( -6.931 22.596 5.147) 24.189 9.025 ( 1.401 0.160 -3.375) 3.658 9.189 ( -3.854 -3.148 1.359) 5.158 9.440 ( -4.455 -4.589 -0.449) 6.411 10.263 ( 0.841 -4.912 1.146) 5.113 10.307 ( -4.920 2.844 4.540) 7.274 10.451 ( 3.068 -0.306 -3.249) 4.479 10.667 ( 2.425 -0.911 -5.991) 6.527 10.947 ( -2.895 2.483 -2.286) 4.446 11.172 ( 6.092 -3.026 1.369) 6.938 11.242 ( -1.133 -1.645 1.818) 2.701 11.408 ( -0.552 4.421 -1.190) 4.612 11.481 ( -3.841 7.314 -2.582) 8.656 11.580 ( 1.098 5.080 9.172) 10.542 11.886 ( -2.164 -5.373 -2.846) 6.454 12.068 ( -1.963 7.656 3.647) 8.704 12.481 ( 4.551 -5.287 -3.378) 7.751 12.551 ( 1.323 2.891 -12.847) 13.235 13.004 ( -1.419 -3.061 4.045) 5.267 13.195 ( 3.185 -3.012 -0.347) 4.397 13.299 ( -0.446 -5.391 -2.043) 5.783 13.603 ( -2.724 -6.724 4.120) 8.343 13.865 ( -3.630 -3.746 -5.207) 7.370 14.223 ( 4.452 -5.754 -4.251) 8.426 14.737 ( 15.469 -1.748 -0.955) 15.597 14.900 ( 0.076 2.730 -3.185) 4.195 15.474 ( -4.756 35.408 -3.804) 35.928 15.556 ( 10.986 12.887 1.886) 17.039 16.573 ( -9.148 15.181 1.418) 17.781 17.381 ( 9.733 -8.117 -0.213) 12.675 17.547 ( -1.416 5.401 4.050) 6.898 17.781 ( -2.999 -0.312 6.995) 7.618 18.076 ( -8.476 16.654 5.044) 19.355 18.509 ( -13.904 0.865 -10.991) 17.745 18.823 ( 5.311 -2.812 -7.077) 9.285 19.634 ( -8.772 12.188 2.824) 15.280 20.672 ( 2.316 -4.004 0.112) 4.627 21.097 ( -2.355 -8.208 0.975) 8.595 22.883 ( 14.015 15.801 -9.143) 23.015 25.453 ( -5.000 -6.264 -1.427) 8.141 25.484 ( -15.245 -1.468 7.125) 16.892 25.999 ( 3.296 -1.544 3.288) 4.905 27.965 ( 0.172 -2.675 9.506) 9.877 28.455 ( -0.939 -1.088 1.494) 2.073 ======================= Grid point 15 (11/128) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 5.496 56.523 -1.730) 56.816 2.075 ( 1.738 13.228 -0.565) 13.354 2.215 ( -1.406 10.735 4.791) 11.839 2.261 ( 3.892 4.588 -1.708) 6.254 2.408 ( 13.964 4.497 1.327) 14.730 2.616 ( 0.056 23.826 -0.836) 23.840 2.717 ( -0.454 0.942 1.068) 1.494 2.801 ( 3.284 -0.755 -5.162) 6.164 2.939 ( -5.322 1.856 -7.066) 9.039 3.132 ( -8.872 10.072 2.259) 13.611 3.311 ( -7.290 -1.331 1.646) 7.591 3.402 ( -3.107 -1.896 10.057) 10.695 3.476 ( -8.326 4.928 -8.284) 12.737 3.636 ( 10.148 9.469 8.241) 16.142 3.859 ( 13.446 9.160 -3.117) 16.566 4.333 ( 0.549 4.001 6.843) 7.946 4.663 ( -9.022 -1.778 -2.121) 9.437 5.030 ( -3.313 2.036 10.840) 11.516 5.256 ( 9.002 -4.656 -6.396) 11.984 5.590 ( -1.164 5.753 -2.332) 6.316 5.611 ( 3.124 -7.230 -5.593) 9.660 5.779 ( -4.456 -2.527 3.366) 6.129 5.918 ( -4.042 1.332 1.083) 4.391 6.003 ( 3.317 -0.207 -7.047) 7.791 6.278 ( 1.205 -1.882 1.939) 2.959 6.452 ( 0.854 -7.631 -2.397) 8.044 6.732 ( 9.015 28.266 1.761) 29.721 7.281 ( -6.377 6.152 -0.107) 8.862 7.729 ( 1.484 4.705 -3.467) 6.030 7.769 ( -1.556 -9.821 2.269) 10.199 7.931 ( 4.451 -6.754 4.720) 9.365 8.165 ( -4.859 -0.016 -0.505) 4.885 8.462 ( 7.621 21.996 -9.676) 25.210 8.760 ( -7.699 25.639 6.194) 27.478 8.857 ( 7.246 -5.709 4.177) 10.126 9.072 ( 2.545 -1.921 0.865) 3.304 9.124 ( -2.140 -5.943 -0.141) 6.318 9.355 ( -4.417 -1.778 -0.654) 4.807 10.208 ( -3.545 -5.098 -2.346) 6.638 10.295 ( 1.200 2.525 2.045) 3.463 10.472 ( -0.663 -5.529 -1.325) 5.724 10.684 ( -0.390 6.192 -1.650) 6.420 10.910 ( -0.256 -5.023 -4.110) 6.495 11.108 ( -4.389 -7.773 -0.117) 8.927 11.289 ( -0.813 1.244 2.732) 3.110 11.411 ( -2.035 6.169 -4.180) 7.725 11.502 ( 7.625 8.403 1.007) 11.392 11.619 ( 2.111 9.618 5.792) 11.424 11.868 ( 0.214 -4.855 0.029) 4.860 12.002 ( -4.932 7.152 4.789) 9.920 12.536 ( 1.813 -4.680 -4.261) 6.584 12.593 ( 2.876 4.426 -8.884) 10.334 12.988 ( -0.489 -6.897 2.378) 7.312 13.237 ( 0.451 -5.299 -1.084) 5.427 13.292 ( 0.592 -3.304 0.843) 3.460 13.567 ( -1.138 -6.080 4.242) 7.500 13.799 ( -2.584 -2.010 -4.858) 5.858 14.289 ( 2.521 -4.243 -3.025) 5.789 14.866 ( 0.236 -8.060 -2.482) 8.437 15.060 ( 13.548 11.413 0.463) 17.720 15.386 ( -4.558 25.026 -2.072) 25.522 15.759 ( 9.499 16.755 2.100) 19.375 16.398 ( -8.659 14.577 0.575) 16.965 17.515 ( -0.250 9.076 1.909) 9.278 17.553 ( 5.617 -5.891 5.724) 9.951 17.767 ( 0.236 -1.043 1.940) 2.215 17.914 ( -8.181 12.581 4.773) 15.748 18.321 ( -4.594 1.099 -10.041) 11.097 18.898 ( 2.854 -3.188 -3.732) 5.678 19.474 ( -7.385 12.296 2.414) 14.545 20.700 ( 0.690 -3.254 0.570) 3.375 21.061 ( -1.296 -9.714 0.032) 9.800 23.113 ( 9.428 11.483 -1.761) 14.962 25.164 ( -12.390 3.812 1.709) 13.076 25.453 ( 0.103 -7.724 -3.367) 8.426 26.055 ( 2.176 -2.311 1.237) 3.406 27.961 ( -0.842 -2.111 5.391) 5.850 28.434 ( -1.116 -0.656 0.890) 1.571 ======================= Grid point 16 (12/128) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.000 63.415 0.000) 63.415 2.053 ( 0.000 2.594 -0.000) 2.594 2.227 ( 0.000 11.918 0.000) 11.918 2.289 ( 0.000 5.877 0.000) 5.877 2.587 ( -0.000 2.570 -0.000) 2.570 2.604 ( 0.000 25.706 0.000) 25.706 2.730 ( 0.000 1.528 -0.000) 1.528 2.828 ( 0.000 -1.354 -0.000) 1.354 2.952 ( -0.000 12.692 0.000) 12.692 2.972 ( 0.000 1.028 -0.000) 1.028 3.224 ( 0.000 -1.155 -0.000) 1.155 3.353 ( -0.000 -0.934 -0.000) 0.934 3.388 ( 0.000 5.385 0.000) 5.385 3.690 ( 0.000 6.027 -0.000) 6.027 4.128 ( 0.000 11.232 -0.000) 11.232 4.381 ( -0.000 3.701 0.000) 3.701 4.468 ( 0.000 -2.653 0.000) 2.653 4.995 ( 0.000 2.802 -0.000) 2.802 5.350 ( 0.000 -7.282 0.000) 7.282 5.579 ( 0.000 6.321 0.000) 6.321 5.637 ( 0.000 -1.677 -0.000) 1.677 5.742 ( 0.000 -10.650 -0.000) 10.650 5.865 ( 0.000 3.546 -0.000) 3.546 6.034 ( 0.000 -0.112 0.000) 0.112 6.289 ( 0.000 -2.686 0.000) 2.686 6.459 ( 0.000 -7.644 0.000) 7.644 6.852 ( 0.000 31.334 0.000) 31.334 7.189 ( -0.000 8.486 0.000) 8.486 7.746 ( 0.000 3.707 -0.000) 3.707 7.748 ( -0.000 -13.077 0.000) 13.077 8.016 ( 0.000 -7.379 -0.000) 7.379 8.072 ( 0.000 0.678 0.000) 0.678 8.600 ( 0.000 26.415 -0.000) 26.415 8.630 ( -0.000 26.089 0.000) 26.089 8.948 ( 0.000 -6.170 0.000) 6.170 9.056 ( 0.000 -8.358 0.000) 8.358 9.148 ( 0.000 -3.028 0.000) 3.028 9.297 ( -0.000 1.244 0.000) 1.244 10.171 ( 0.000 -6.390 0.000) 6.390 10.312 ( 0.000 4.838 0.000) 4.838 10.456 ( 0.000 -8.540 -0.000) 8.540 10.674 ( 0.000 8.256 0.000) 8.256 10.913 ( 0.000 -7.667 -0.000) 7.667 11.058 ( 0.000 -7.972 -0.000) 7.972 11.279 ( 0.000 1.232 -0.000) 1.232 11.389 ( 0.000 6.253 0.000) 6.253 11.570 ( 0.000 9.600 0.000) 9.600 11.670 ( 0.000 10.459 -0.000) 10.459 11.885 ( 0.000 -3.103 -0.000) 3.103 11.927 ( 0.000 5.434 0.000) 5.434 12.552 ( 0.000 -4.842 0.000) 4.842 12.619 ( 0.000 5.591 0.000) 5.591 12.984 ( 0.000 -8.659 0.000) 8.659 13.235 ( 0.000 -5.227 -0.000) 5.227 13.304 ( 0.000 -3.938 -0.000) 3.938 13.560 ( 0.000 -6.385 0.000) 6.385 13.769 ( 0.000 -0.741 -0.000) 0.741 14.312 ( 0.000 -3.494 0.000) 3.494 14.866 ( 0.000 -6.285 -0.000) 6.285 15.257 ( 0.000 -16.353 -0.000) 16.353 15.282 ( -0.000 50.402 -0.000) 50.402 15.874 ( 0.000 15.139 -0.000) 15.139 16.293 ( 0.000 15.184 -0.000) 15.184 17.502 ( 0.000 8.121 0.000) 8.121 17.644 ( 0.000 -3.820 -0.000) 3.820 17.736 ( -0.000 8.894 0.000) 8.894 17.841 ( 0.000 3.481 -0.000) 3.481 18.283 ( 0.000 -0.429 -0.000) 0.429 18.924 ( 0.000 -3.312 -0.000) 3.312 19.396 ( 0.000 12.922 -0.000) 12.922 20.705 ( 0.000 -2.711 0.000) 2.711 21.049 ( 0.000 -10.689 0.000) 10.689 23.208 ( 0.000 10.414 -0.000) 10.414 25.040 ( 0.000 4.845 0.000) 4.845 25.454 ( 0.000 -7.547 0.000) 7.547 26.078 ( 0.000 -2.709 0.000) 2.709 27.954 ( 0.000 -1.831 -0.000) 1.831 28.422 ( 0.000 -0.513 0.000) 0.513 ======================= Grid point 22 (13/128) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.000 20.843 0.000) 20.843 1.055 ( 0.000 25.255 0.000) 25.255 1.717 ( 0.000 -6.435 0.000) 6.435 2.228 ( 0.000 1.100 0.000) 1.100 2.339 ( 0.000 31.565 0.000) 31.565 2.827 ( 0.000 7.897 0.000) 7.897 2.859 ( 0.000 6.631 0.000) 6.631 3.167 ( 0.000 44.875 0.000) 44.875 3.454 ( 0.000 7.751 0.000) 7.751 3.508 ( 0.000 -6.638 0.000) 6.638 3.652 ( 0.000 2.222 0.000) 2.222 3.803 ( 0.000 8.621 0.000) 8.621 4.102 ( 0.000 29.539 0.000) 29.539 4.338 ( 0.000 6.381 0.000) 6.381 4.457 ( 0.000 5.401 0.000) 5.401 4.475 ( 0.000 -1.889 0.000) 1.889 4.585 ( 0.000 4.823 0.000) 4.823 4.749 ( 0.000 0.042 0.000) 0.042 5.029 ( 0.000 -2.683 0.000) 2.683 5.284 ( 0.000 -0.857 0.000) 0.857 5.576 ( 0.000 2.169 0.000) 2.169 5.659 ( 0.000 -0.205 0.000) 0.205 5.802 ( 0.000 -6.556 0.000) 6.556 5.991 ( 0.000 -9.460 0.000) 9.460 6.209 ( 0.000 4.749 0.000) 4.749 6.297 ( 0.000 0.845 0.000) 0.845 6.852 ( 0.000 8.750 0.000) 8.750 6.876 ( 0.000 -6.518 0.000) 6.518 7.575 ( 0.000 -7.032 0.000) 7.032 7.599 ( 0.000 -8.276 0.000) 8.276 8.111 ( 0.000 -2.844 0.000) 2.844 8.320 ( 0.000 -9.685 0.000) 9.685 8.570 ( 0.000 0.168 0.000) 0.168 8.698 ( 0.000 0.650 0.000) 0.650 9.037 ( 0.000 3.564 0.000) 3.564 9.234 ( 0.000 -2.558 0.000) 2.558 9.302 ( 0.000 -2.875 0.000) 2.875 9.528 ( 0.000 -13.106 0.000) 13.106 9.869 ( 0.000 12.321 0.000) 12.321 10.215 ( 0.000 -11.085 0.000) 11.085 10.523 ( 0.000 4.438 0.000) 4.438 10.671 ( 0.000 -5.305 0.000) 5.305 10.745 ( 0.000 -3.754 0.000) 3.754 11.144 ( 0.000 11.350 0.000) 11.350 11.318 ( 0.000 8.598 0.000) 8.598 11.477 ( 0.000 -10.753 0.000) 10.753 11.657 ( 0.000 4.463 0.000) 4.463 11.871 ( 0.000 -4.640 0.000) 4.640 11.990 ( 0.000 6.295 0.000) 6.295 12.166 ( 0.000 11.486 0.000) 11.486 12.421 ( 0.000 -6.964 0.000) 6.964 12.504 ( 0.000 18.600 0.000) 18.600 12.546 ( 0.000 -1.072 0.000) 1.072 13.060 ( 0.000 1.812 0.000) 1.812 13.345 ( 0.000 -0.968 0.000) 0.968 13.522 ( 0.000 -11.013 0.000) 11.013 13.814 ( 0.000 -6.856 0.000) 6.856 14.036 ( 0.000 -8.409 0.000) 8.409 14.327 ( 0.000 -0.354 0.000) 0.354 14.585 ( 0.000 -7.290 0.000) 7.290 15.413 ( 0.000 22.663 0.000) 22.663 16.526 ( 0.000 -14.433 0.000) 14.433 17.132 ( 0.000 41.244 0.000) 41.244 17.290 ( 0.000 22.664 0.000) 22.664 17.793 ( 0.000 2.713 0.000) 2.713 18.218 ( 0.000 4.091 0.000) 4.091 18.463 ( 0.000 -4.513 0.000) 4.513 18.997 ( 0.000 -14.922 0.000) 14.922 19.382 ( 0.000 19.925 0.000) 19.925 19.818 ( 0.000 5.594 0.000) 5.594 20.415 ( 0.000 -7.280 0.000) 7.280 20.957 ( 0.000 -17.181 0.000) 17.181 24.693 ( 0.000 11.495 0.000) 11.495 24.787 ( 0.000 12.997 0.000) 12.997 25.586 ( 0.000 -7.938 0.000) 7.938 25.607 ( 0.000 -10.300 0.000) 10.300 27.868 ( 0.000 4.410 0.000) 4.410 28.364 ( 0.000 -6.723 0.000) 6.723 ======================= Grid point 23 (14/128) ======================= q-point: ( 0.10 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 18.886 15.353 11.295) 26.832 1.307 ( 22.516 19.330 -2.582) 29.788 1.783 ( 6.240 -4.743 3.189) 8.461 2.305 ( 7.199 -2.390 3.301) 8.272 2.429 ( 9.361 33.224 2.485) 34.607 2.800 ( -2.778 6.794 -1.859) 7.572 2.857 ( -0.261 5.907 -1.799) 6.180 3.134 ( -3.174 37.310 -1.516) 37.476 3.322 ( -8.225 10.921 -1.871) 13.800 3.492 ( -10.827 7.378 -11.878) 17.684 3.587 ( 2.874 -4.113 7.955) 9.406 3.823 ( -1.743 7.285 10.796) 13.140 4.095 ( -2.591 27.139 -2.975) 27.425 4.177 ( -15.253 3.873 17.354) 23.427 4.314 ( -10.155 5.649 6.819) 13.474 4.389 ( -2.946 4.496 -1.828) 5.678 4.681 ( 4.885 5.370 -4.940) 8.781 4.889 ( 7.134 -1.816 -11.929) 14.017 5.016 ( 3.994 -3.653 -3.926) 6.686 5.261 ( -3.345 1.084 7.132) 7.952 5.656 ( 6.626 4.058 0.808) 7.812 5.735 ( 4.739 -4.131 -5.312) 8.231 5.824 ( 4.515 -4.032 -7.630) 9.740 5.994 ( -0.189 -11.556 5.697) 12.886 6.186 ( -1.511 3.931 -8.582) 9.560 6.299 ( -0.210 0.150 1.084) 1.115 6.795 ( -0.223 7.476 1.458) 7.620 7.027 ( 9.386 -2.873 -1.638) 9.952 7.577 ( -0.247 -7.121 4.058) 8.200 7.610 ( 2.122 -5.877 -3.234) 7.036 8.088 ( -3.269 -2.236 1.906) 4.395 8.282 ( -2.503 -4.785 3.012) 6.184 8.509 ( -3.403 6.591 2.411) 7.799 8.719 ( -2.454 -3.054 -3.415) 5.197 8.909 ( -3.053 2.357 -0.332) 3.871 9.082 ( -5.572 -6.237 4.549) 9.521 9.399 ( 2.433 -1.827 -0.414) 3.071 9.779 ( 3.567 -3.290 -1.231) 5.007 9.866 ( 7.938 5.724 -1.456) 9.894 10.198 ( 2.272 -5.874 2.268) 6.694 10.557 ( 0.964 3.749 -2.978) 4.884 10.656 ( -0.010 -4.018 -0.557) 4.057 10.834 ( 7.184 -2.674 2.789) 8.157 11.080 ( -5.074 4.135 3.669) 7.504 11.252 ( -2.727 11.633 4.041) 12.613 11.439 ( -3.130 -8.699 -2.307) 9.528 11.691 ( 1.694 5.764 1.874) 6.294 11.901 ( 0.805 0.015 3.177) 3.277 11.920 ( -4.224 1.320 -4.988) 6.668 12.129 ( -4.520 10.309 -1.788) 11.398 12.383 ( -1.038 -1.605 5.219) 5.558 12.567 ( 1.140 -0.065 -2.813) 3.036 12.709 ( 16.147 5.766 -8.070) 18.950 13.070 ( 1.078 0.091 -5.785) 5.885 13.311 ( -3.552 -0.063 0.264) 3.562 13.489 ( -2.562 -10.569 1.076) 10.928 13.825 ( 1.273 -7.202 -4.144) 8.406 14.016 ( -1.867 -8.671 2.084) 9.112 14.339 ( 2.462 0.708 1.795) 3.128 14.667 ( 6.474 -9.233 -3.592) 11.834 15.463 ( 5.279 21.043 -0.632) 21.705 16.463 ( -5.709 -5.040 5.588) 9.445 17.156 ( 1.607 35.973 -12.281) 38.046 17.277 ( -1.176 22.230 1.822) 22.336 17.740 ( -4.753 3.995 8.248) 10.324 18.128 ( -8.940 4.515 5.600) 11.474 18.514 ( 5.095 -4.839 -7.325) 10.150 18.901 ( -10.074 -6.610 8.184) 14.565 19.066 ( -19.521 18.851 -8.645) 28.481 19.998 ( 8.180 5.919 -4.044) 10.877 20.444 ( 2.520 -7.617 -0.531) 8.041 20.942 ( -1.310 -16.009 1.155) 16.104 23.773 ( -36.863 41.133 -48.818) 73.716 25.337 ( -0.668 -14.244 -1.827) 14.376 25.613 ( 14.615 -8.305 44.299) 47.381 25.751 ( 6.138 -5.440 11.322) 13.981 27.875 ( 1.226 4.094 0.036) 4.274 28.372 ( 0.721 -6.666 0.787) 6.751 ======================= Grid point 24 (15/128) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 23.764 8.530 9.869) 27.109 1.760 ( 22.438 15.120 -1.862) 27.121 1.932 ( 8.348 -1.056 2.783) 8.862 2.455 ( 6.709 -6.378 4.569) 10.323 2.676 ( 5.177 18.795 4.251) 19.953 2.707 ( 0.510 11.074 -4.509) 11.968 2.867 ( 3.640 8.787 -3.396) 10.099 3.065 ( -2.501 14.236 -4.378) 15.103 3.189 ( -5.449 26.821 1.512) 27.411 3.294 ( -7.262 11.642 -8.327) 16.051 3.627 ( -0.440 -1.514 12.450) 12.549 3.755 ( -5.033 12.356 9.215) 16.215 3.845 ( -16.740 6.389 7.345) 19.364 3.974 ( -11.565 10.961 -1.436) 15.999 4.179 ( -4.026 19.361 3.867) 20.150 4.364 ( 0.006 3.562 0.288) 3.573 4.738 ( 1.432 2.916 -0.619) 3.307 4.959 ( 4.139 0.714 -9.359) 10.258 5.133 ( 0.044 -7.792 2.839) 8.293 5.228 ( 4.605 2.002 4.462) 6.717 5.750 ( -1.247 -4.748 -4.937) 6.962 5.801 ( 8.039 5.369 -6.897) 11.876 5.906 ( -0.677 -4.426 -0.076) 4.479 6.034 ( 6.112 -11.697 0.224) 13.199 6.144 ( -2.212 4.891 -9.958) 11.312 6.289 ( -0.733 -2.563 1.080) 2.876 6.847 ( 5.071 12.859 0.441) 13.830 7.189 ( 7.121 -4.345 -0.068) 8.342 7.587 ( 1.199 -6.604 4.063) 7.846 7.686 ( 5.705 -2.557 -2.473) 6.723 7.989 ( -5.803 2.612 3.862) 7.444 8.281 ( 1.210 0.461 1.700) 2.137 8.499 ( 1.697 1.648 3.992) 4.640 8.624 ( -2.726 4.017 -2.827) 5.618 8.952 ( 3.393 -4.754 -0.611) 5.873 9.028 ( -0.702 -4.608 1.966) 5.059 9.390 ( -2.804 0.807 1.137) 3.131 9.621 ( -10.905 12.160 -5.698) 17.299 10.056 ( 5.843 -7.333 4.228) 10.285 10.327 ( 7.214 -4.814 -4.566) 9.801 10.513 ( -4.443 4.493 2.106) 6.661 10.653 ( -1.171 4.892 -3.059) 5.887 10.938 ( 6.034 -1.040 0.521) 6.145 11.115 ( 1.896 -6.663 5.353) 8.754 11.221 ( 1.708 8.097 1.776) 8.463 11.410 ( 1.581 -1.939 -2.669) 3.658 11.704 ( -0.440 9.985 4.102) 10.804 11.803 ( -5.513 7.288 -1.626) 9.282 11.875 ( -5.912 0.768 1.096) 6.061 12.083 ( 2.094 -2.334 -2.455) 3.982 12.402 ( 1.545 2.633 4.544) 5.474 12.577 ( 0.577 1.376 -4.703) 4.934 12.947 ( 6.633 -1.543 -3.031) 7.454 13.084 ( 0.729 -3.322 -7.616) 8.340 13.224 ( -3.917 -1.032 -1.491) 4.316 13.461 ( -0.794 -10.196 1.829) 10.389 13.836 ( -0.366 -5.048 -4.790) 6.969 14.007 ( 2.159 -8.821 -0.938) 9.129 14.441 ( 7.673 -1.117 0.434) 7.766 14.765 ( 3.515 -9.545 -2.855) 10.565 15.609 ( 9.461 16.721 -0.747) 19.226 16.374 ( -2.664 11.850 5.198) 13.212 17.078 ( -8.973 27.186 -6.867) 29.440 17.299 ( 3.713 19.780 -0.035) 20.125 17.680 ( -1.452 7.436 5.544) 9.388 17.951 ( -8.508 6.363 9.769) 14.433 18.611 ( 2.804 -3.268 -6.128) 7.490 18.684 ( -9.488 11.663 7.240) 16.687 18.753 ( -13.281 4.061 -12.241) 18.513 20.033 ( -3.348 10.307 -1.706) 10.971 20.492 ( 2.481 -8.884 -1.313) 9.317 20.914 ( -1.993 -15.138 2.236) 15.431 23.343 ( -6.925 40.639 -24.828) 48.124 25.251 ( -3.503 -17.901 -10.606) 21.099 25.716 ( -6.908 -3.575 26.576) 27.691 25.870 ( 4.834 -4.029 10.045) 11.854 27.914 ( 2.052 2.364 4.526) 5.504 28.387 ( 0.596 -6.434 1.471) 6.627 ======================= Grid point 25 (16/128) ======================= q-point: ( 0.30 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 19.780 3.733 8.580) 21.882 2.066 ( 8.005 7.977 2.225) 11.518 2.151 ( 15.066 7.828 -4.127) 17.472 2.499 ( -6.281 4.760 -5.604) 9.670 2.575 ( 2.708 -1.548 3.994) 5.068 2.756 ( -1.724 2.025 -5.082) 5.736 2.967 ( 0.620 11.877 -0.842) 11.923 3.045 ( -4.393 5.709 -6.053) 9.409 3.161 ( 1.394 34.811 3.804) 35.046 3.307 ( 11.104 9.017 3.505) 14.727 3.535 ( -12.302 5.395 17.563) 22.111 3.585 ( -7.438 4.738 -3.051) 9.332 3.691 ( -2.134 9.657 7.224) 12.247 3.763 ( -6.977 19.455 -7.557) 22.006 4.118 ( -2.904 21.703 2.068) 21.994 4.387 ( 2.034 2.540 2.360) 4.020 4.722 ( -3.212 -1.235 2.447) 4.223 5.048 ( 5.134 -3.066 -9.268) 11.030 5.103 ( -0.891 2.608 11.823) 12.140 5.352 ( 5.795 -6.505 -2.999) 9.213 5.700 ( -3.336 -3.354 -1.304) 4.907 5.817 ( -5.813 -7.275 2.458) 9.631 5.949 ( 6.047 3.350 -9.169) 11.483 6.075 ( -3.340 4.940 -6.519) 8.835 6.163 ( 5.472 -4.358 -2.781) 7.528 6.282 ( -0.082 -5.099 1.911) 5.446 6.977 ( 8.238 14.150 -1.946) 16.489 7.298 ( 4.203 -3.447 1.370) 5.606 7.612 ( 0.303 -7.460 5.229) 9.115 7.792 ( 4.551 -1.558 -1.115) 4.938 7.915 ( -1.824 9.384 2.465) 9.872 8.259 ( -3.511 -0.447 1.042) 3.689 8.582 ( 7.009 -2.329 2.649) 7.846 8.685 ( 8.147 10.015 -4.143) 13.559 8.977 ( -0.977 -8.232 1.753) 8.473 9.046 ( 2.243 2.452 -1.430) 3.618 9.325 ( -3.629 1.879 2.124) 4.605 9.424 ( -8.638 13.585 -2.991) 16.375 10.115 ( 0.160 -8.633 0.762) 8.668 10.320 ( -5.619 -7.152 -5.831) 10.803 10.481 ( 0.493 8.614 1.885) 8.832 10.650 ( 1.351 -1.360 -2.505) 3.155 11.007 ( -4.796 -8.564 0.268) 9.819 11.087 ( 2.239 9.902 2.858) 10.546 11.300 ( 2.440 2.595 -0.931) 3.681 11.502 ( 7.013 3.795 -0.080) 7.974 11.667 ( -3.782 12.470 -3.171) 13.411 11.735 ( 0.694 7.049 3.632) 7.960 11.811 ( -0.222 2.737 4.258) 5.067 12.131 ( 1.318 -3.934 0.881) 4.242 12.431 ( 0.998 1.172 2.233) 2.712 12.598 ( 2.497 1.711 -4.895) 5.755 12.940 ( -4.745 -3.781 1.779) 6.323 13.090 ( 0.524 -6.026 -8.982) 10.829 13.194 ( -0.513 -5.003 -0.901) 5.110 13.435 ( -2.025 -10.266 2.553) 10.771 13.822 ( -0.066 -0.366 -3.634) 3.653 14.092 ( 5.800 -7.707 -5.060) 10.892 14.597 ( 6.999 -6.334 -0.514) 9.454 14.817 ( 3.265 -9.124 -1.157) 9.760 15.799 ( 10.214 15.150 -0.426) 18.277 16.390 ( 3.105 26.022 3.910) 26.497 16.875 ( -10.449 24.680 0.253) 26.801 17.394 ( 5.730 10.391 1.744) 11.994 17.678 ( 0.354 8.849 -0.949) 8.906 17.841 ( -3.778 8.616 8.682) 12.801 18.426 ( -13.117 4.458 3.373) 14.258 18.526 ( -8.484 17.776 -4.202) 20.140 18.733 ( 4.673 -6.840 -7.305) 11.044 19.915 ( -7.716 14.366 0.100) 16.308 20.538 ( 2.461 -10.619 -0.956) 10.942 20.861 ( -3.701 -15.556 1.779) 16.089 23.345 ( 5.893 31.717 -9.821) 33.722 25.208 ( -0.452 -18.706 -7.376) 20.113 25.516 ( -13.285 4.167 9.419) 16.810 25.939 ( 2.091 -5.012 4.491) 7.047 27.943 ( 0.409 1.432 6.078) 6.257 28.392 ( -0.301 -5.943 1.653) 6.176 ======================= Grid point 26 (17/128) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -2.100 3.164 0.449) 3.824 2.195 ( 3.391 2.290 -0.448) 4.117 2.370 ( 7.369 7.887 2.050) 10.987 2.529 ( 8.968 7.879 -0.943) 11.975 2.660 ( 6.186 -0.723 0.072) 6.228 2.743 ( 1.535 2.796 -4.147) 5.232 2.914 ( -3.810 4.736 -3.239) 6.888 3.020 ( 2.235 8.124 -2.866) 8.900 3.164 ( -0.631 37.145 2.638) 37.244 3.330 ( -8.118 5.564 0.326) 9.847 3.355 ( -5.159 6.677 8.722) 12.136 3.449 ( -8.275 8.635 11.066) 16.294 3.561 ( -6.992 6.858 -10.179) 14.126 3.933 ( 12.229 21.918 0.932) 25.117 4.102 ( 5.586 17.205 1.678) 18.167 4.430 ( 1.749 4.573 2.189) 5.363 4.626 ( -7.311 -1.835 1.737) 7.736 5.064 ( -1.533 0.964 0.578) 1.901 5.164 ( 4.196 -2.945 1.288) 5.285 5.447 ( 4.771 -8.423 -5.065) 10.926 5.631 ( -3.790 -4.348 3.423) 6.707 5.706 ( -4.825 -6.029 1.322) 7.835 5.987 ( -2.340 3.947 -4.975) 6.768 6.044 ( 1.916 5.454 -4.278) 7.191 6.238 ( 2.578 -2.509 -1.161) 3.781 6.285 ( 0.170 -6.671 0.870) 6.730 7.146 ( 9.066 11.083 -3.377) 14.712 7.346 ( 0.292 0.799 1.575) 1.790 7.597 ( -1.872 -5.854 4.927) 7.877 7.847 ( 1.639 -5.142 -0.011) 5.397 7.906 ( -0.225 11.291 1.729) 11.425 8.206 ( -1.268 6.987 -0.372) 7.111 8.725 ( 6.887 -4.571 0.987) 8.324 8.858 ( 6.293 0.290 -4.655) 7.832 8.952 ( 1.343 2.398 -0.781) 2.857 9.089 ( 1.600 5.882 -0.006) 6.095 9.231 ( -6.252 15.464 -0.256) 16.682 9.326 ( -1.650 2.222 4.483) 5.269 10.057 ( -4.779 -9.342 -5.626) 11.906 10.245 ( -1.715 -10.661 1.759) 10.940 10.472 ( -1.216 7.874 -1.367) 8.083 10.674 ( 1.017 -6.785 -1.889) 7.116 10.920 ( -2.851 -4.960 0.653) 5.759 11.075 ( -2.980 17.318 1.772) 17.662 11.303 ( -1.219 -2.537 -0.065) 2.815 11.583 ( -0.714 11.499 -3.062) 11.921 11.675 ( 6.289 7.059 -2.206) 9.708 11.820 ( -0.422 6.167 5.418) 8.220 11.830 ( 7.970 8.383 1.852) 11.715 12.111 ( -3.523 1.508 2.681) 4.677 12.438 ( -0.399 -4.249 -0.248) 4.274 12.667 ( 4.659 0.667 -2.627) 5.390 12.844 ( -4.757 -6.061 0.818) 7.748 13.087 ( -0.030 -9.382 -5.395) 10.822 13.169 ( -1.624 -7.298 0.925) 7.534 13.404 ( -1.178 -10.350 1.287) 10.496 13.827 ( 0.598 4.498 -2.711) 5.286 14.185 ( 3.781 -6.380 -3.834) 8.348 14.673 ( 1.589 -8.381 -0.898) 8.578 14.901 ( 4.357 -13.046 0.504) 13.764 16.007 ( 11.305 16.726 -0.624) 20.198 16.433 ( -0.672 30.883 2.818) 31.018 16.715 ( -5.617 31.463 1.418) 31.992 17.503 ( 4.611 0.171 4.863) 6.704 17.677 ( -0.535 10.046 -3.866) 10.777 17.829 ( 2.590 8.352 3.647) 9.475 18.190 ( -11.335 7.445 1.143) 13.609 18.404 ( -4.146 18.149 -0.958) 18.641 18.798 ( 2.494 -7.482 -3.941) 8.817 19.774 ( -6.090 16.684 0.429) 17.766 20.586 ( 2.566 -9.988 -0.079) 10.312 20.783 ( -4.188 -17.963 0.444) 18.450 23.471 ( 6.214 25.908 -2.413) 26.752 25.205 ( -0.121 -18.119 -3.463) 18.448 25.292 ( -8.824 9.089 1.210) 12.726 25.969 ( 0.951 -7.050 1.399) 7.250 27.945 ( -0.434 1.411 3.968) 4.234 28.381 ( -0.720 -5.412 1.063) 5.562 ======================= Grid point 27 (18/128) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 0.000 3.793 -0.000) 3.793 2.239 ( 0.000 1.166 0.000) 1.166 2.416 ( 0.000 6.993 -0.000) 6.993 2.662 ( 0.000 4.872 0.000) 4.872 2.701 ( 0.000 -1.810 -0.000) 1.810 2.819 ( 0.000 6.640 -0.000) 6.640 2.856 ( -0.000 1.703 -0.000) 1.703 3.056 ( 0.000 16.312 -0.000) 16.312 3.172 ( -0.000 29.609 0.000) 29.609 3.241 ( -0.000 14.327 0.000) 14.327 3.283 ( 0.000 9.147 -0.000) 9.147 3.344 ( 0.000 1.590 -0.000) 1.590 3.482 ( 0.000 8.144 0.000) 8.144 3.988 ( 0.000 27.021 -0.000) 27.021 4.325 ( -0.000 3.413 0.000) 3.413 4.452 ( -0.000 4.130 -0.000) 4.130 4.466 ( 0.000 4.770 0.000) 4.770 5.043 ( 0.000 2.472 -0.000) 2.472 5.208 ( 0.000 -5.735 0.000) 5.735 5.513 ( 0.000 -10.301 -0.000) 10.301 5.573 ( -0.000 -4.967 0.000) 4.967 5.660 ( 0.000 -3.818 -0.000) 3.818 5.954 ( 0.000 5.289 -0.000) 5.289 6.064 ( -0.000 3.826 0.000) 3.826 6.262 ( 0.000 -0.258 -0.000) 0.258 6.287 ( -0.000 -8.199 0.000) 8.199 7.282 ( 0.000 1.911 -0.000) 1.911 7.306 ( -0.000 10.662 0.000) 10.662 7.576 ( 0.000 -4.600 0.000) 4.600 7.862 ( 0.000 -8.283 0.000) 8.283 7.902 ( 0.000 10.487 -0.000) 10.487 8.199 ( 0.000 12.828 0.000) 12.828 8.824 ( 0.000 -4.561 -0.000) 4.561 8.846 ( 0.000 -10.183 0.000) 10.183 9.049 ( 0.000 1.430 -0.000) 1.430 9.091 ( -0.000 16.208 0.000) 16.208 9.145 ( 0.000 18.806 0.000) 18.806 9.319 ( 0.000 2.103 0.000) 2.103 9.997 ( 0.000 -10.880 0.000) 10.880 10.231 ( 0.000 -13.936 0.000) 13.936 10.455 ( 0.000 8.985 0.000) 8.985 10.685 ( 0.000 -7.809 -0.000) 7.809 10.897 ( 0.000 -7.067 -0.000) 7.067 11.036 ( 0.000 22.127 0.000) 22.127 11.288 ( -0.000 -3.134 -0.000) 3.134 11.569 ( 0.000 12.142 0.000) 12.142 11.775 ( -0.000 3.433 0.000) 3.433 11.784 ( 0.000 10.288 -0.000) 10.288 11.976 ( 0.000 11.725 -0.000) 11.725 12.022 ( 0.000 2.879 0.000) 2.879 12.429 ( 0.000 -7.744 0.000) 7.744 12.742 ( -0.000 6.424 0.000) 6.424 12.772 ( 0.000 -13.202 0.000) 13.202 13.084 ( 0.000 -11.246 -0.000) 11.246 13.153 ( 0.000 -7.722 0.000) 7.722 13.393 ( 0.000 -10.422 -0.000) 10.422 13.832 ( 0.000 6.323 -0.000) 6.323 14.220 ( 0.000 -5.775 0.000) 5.775 14.685 ( 0.000 -8.378 -0.000) 8.378 14.946 ( 0.000 -15.374 -0.000) 15.374 16.158 ( 0.000 14.043 -0.000) 14.043 16.388 ( 0.000 30.708 -0.000) 30.708 16.667 ( 0.000 40.096 -0.000) 40.096 17.556 ( 0.000 -5.235 0.000) 5.235 17.659 ( 0.000 13.174 -0.000) 13.174 17.909 ( -0.000 3.482 0.000) 3.482 18.035 ( 0.000 12.283 0.000) 12.283 18.364 ( 0.000 17.453 -0.000) 17.453 18.820 ( 0.000 -7.749 -0.000) 7.749 19.711 ( 0.000 17.698 0.000) 17.698 20.621 ( 0.000 -6.194 0.000) 6.194 20.730 ( 0.000 -22.455 0.000) 22.455 23.536 ( 0.000 23.991 -0.000) 23.991 25.175 ( 0.000 -0.264 0.000) 0.264 25.230 ( 0.000 -6.669 0.000) 6.669 25.979 ( 0.000 -8.032 0.000) 8.032 27.941 ( 0.000 1.503 -0.000) 1.503 28.373 ( 0.000 -5.182 0.000) 5.182 ======================= Grid point 33 (19/128) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.000 16.044 0.000) 16.044 1.519 ( 0.000 22.835 0.000) 22.835 1.545 ( 0.000 -11.328 0.000) 11.328 1.927 ( 0.000 -19.391 0.000) 19.391 2.843 ( 0.000 6.866 0.000) 6.866 2.890 ( 0.000 0.066 0.000) 0.066 3.069 ( 0.000 18.379 0.000) 18.379 3.346 ( 0.000 -10.616 0.000) 10.616 3.559 ( 0.000 5.271 0.000) 5.271 3.630 ( 0.000 -2.732 0.000) 2.732 3.932 ( 0.000 29.071 0.000) 29.071 4.102 ( 0.000 20.379 0.000) 20.379 4.312 ( 0.000 -9.266 0.000) 9.266 4.398 ( 0.000 -8.727 0.000) 8.727 4.552 ( 0.000 5.129 0.000) 5.129 4.554 ( 0.000 3.520 0.000) 3.520 4.768 ( 0.000 3.497 0.000) 3.497 4.887 ( 0.000 31.993 0.000) 31.993 4.911 ( 0.000 -9.152 0.000) 9.152 5.288 ( 0.000 -0.612 0.000) 0.612 5.477 ( 0.000 -10.832 0.000) 10.832 5.495 ( 0.000 -14.584 0.000) 14.584 5.764 ( 0.000 -0.176 0.000) 0.176 5.785 ( 0.000 -5.473 0.000) 5.473 6.335 ( 0.000 2.501 0.000) 2.501 6.343 ( 0.000 3.795 0.000) 3.795 6.859 ( 0.000 5.405 0.000) 5.405 6.953 ( 0.000 -0.226 0.000) 0.226 7.476 ( 0.000 -2.565 0.000) 2.565 7.482 ( 0.000 -3.321 0.000) 3.321 8.051 ( 0.000 -2.110 0.000) 2.110 8.108 ( 0.000 -8.905 0.000) 8.905 8.634 ( 0.000 4.904 0.000) 4.904 8.699 ( 0.000 -1.213 0.000) 1.213 9.131 ( 0.000 5.332 0.000) 5.332 9.186 ( 0.000 -1.961 0.000) 1.961 9.223 ( 0.000 -3.149 0.000) 3.149 9.295 ( 0.000 -9.653 0.000) 9.653 10.015 ( 0.000 3.083 0.000) 3.083 10.067 ( 0.000 -4.267 0.000) 4.267 10.572 ( 0.000 -0.530 0.000) 0.530 10.586 ( 0.000 -2.836 0.000) 2.836 10.816 ( 0.000 13.180 0.000) 13.180 11.116 ( 0.000 -14.555 0.000) 14.555 11.457 ( 0.000 7.875 0.000) 7.875 11.493 ( 0.000 6.376 0.000) 6.376 11.751 ( 0.000 4.083 0.000) 4.083 11.788 ( 0.000 -2.848 0.000) 2.848 12.005 ( 0.000 -1.811 0.000) 1.811 12.098 ( 0.000 -10.553 0.000) 10.553 12.529 ( 0.000 9.736 0.000) 9.736 12.594 ( 0.000 2.756 0.000) 2.756 12.855 ( 0.000 17.839 0.000) 17.839 13.106 ( 0.000 -0.683 0.000) 0.683 13.225 ( 0.000 -7.473 0.000) 7.473 13.311 ( 0.000 -10.079 0.000) 10.079 13.765 ( 0.000 2.255 0.000) 2.255 13.872 ( 0.000 -7.884 0.000) 7.884 14.352 ( 0.000 3.166 0.000) 3.166 14.448 ( 0.000 -6.486 0.000) 6.486 15.837 ( 0.000 20.942 0.000) 20.942 16.212 ( 0.000 -18.020 0.000) 18.020 17.629 ( 0.000 10.822 0.000) 10.822 17.687 ( 0.000 7.252 0.000) 7.252 17.974 ( 0.000 21.121 0.000) 21.121 18.304 ( 0.000 -8.225 0.000) 8.225 18.384 ( 0.000 9.055 0.000) 9.055 18.678 ( 0.000 -17.395 0.000) 17.395 19.769 ( 0.000 18.604 0.000) 18.604 19.966 ( 0.000 4.097 0.000) 4.097 20.286 ( 0.000 -0.242 0.000) 0.242 20.568 ( 0.000 -21.779 0.000) 21.779 24.946 ( 0.000 13.277 0.000) 13.277 25.024 ( 0.000 8.780 0.000) 8.780 25.387 ( 0.000 -9.925 0.000) 9.925 25.410 ( 0.000 -9.257 0.000) 9.257 28.000 ( 0.000 9.129 0.000) 9.129 28.195 ( 0.000 -10.269 0.000) 10.269 ======================= Grid point 34 (20/128) ======================= q-point: ( 0.10 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 12.861 13.013 6.243) 19.332 1.610 ( 9.993 -1.726 1.136) 10.204 1.718 ( 14.891 11.531 3.977) 19.249 2.042 ( 10.584 -16.675 3.008) 19.978 2.839 ( -0.808 3.578 -2.038) 4.196 2.859 ( -3.210 0.560 -2.598) 4.167 3.083 ( 2.010 17.395 0.024) 17.511 3.291 ( -5.389 -4.156 -5.951) 9.040 3.530 ( -3.376 0.362 7.483) 8.218 3.545 ( -6.368 -0.234 -0.358) 6.383 3.922 ( -0.997 28.340 0.290) 28.359 4.029 ( -7.798 11.872 11.505) 18.279 4.176 ( -15.305 -3.619 14.995) 21.730 4.310 ( -1.898 -10.732 -0.149) 10.899 4.480 ( -4.248 16.097 -3.640) 17.042 4.699 ( 5.154 12.038 -9.466) 16.158 4.798 ( 3.304 -7.841 -6.976) 11.003 4.872 ( -1.593 -8.121 -3.144) 8.853 4.916 ( 2.934 25.987 -0.651) 26.160 5.300 ( 0.216 -0.588 5.989) 6.021 5.529 ( 3.982 -10.939 3.097) 12.046 5.581 ( 6.151 -17.167 1.943) 18.339 5.765 ( 1.641 0.612 -2.605) 3.139 5.807 ( 2.726 -2.992 -3.548) 5.383 6.305 ( -1.876 4.558 -3.671) 6.146 6.335 ( -1.213 1.622 -2.224) 3.008 6.912 ( 5.261 7.007 -2.587) 9.136 7.019 ( 5.952 -1.745 -3.640) 7.192 7.487 ( 1.076 -1.508 2.562) 3.162 7.513 ( 3.306 -3.673 -0.831) 5.011 8.050 ( -0.263 -0.839 3.035) 3.160 8.116 ( 1.111 -8.180 3.194) 8.852 8.636 ( -0.652 7.244 1.197) 7.372 8.728 ( 2.578 0.226 -1.003) 2.776 8.893 ( -12.641 -2.161 1.727) 12.940 8.950 ( -8.327 -6.532 1.269) 10.660 9.416 ( 7.985 5.344 0.026) 9.608 9.583 ( 11.938 -10.862 1.951) 16.257 10.031 ( 1.658 5.363 -5.471) 7.839 10.106 ( 4.944 -3.645 -2.077) 6.484 10.618 ( 5.856 1.026 0.676) 5.983 10.654 ( 4.644 1.210 2.155) 5.260 10.799 ( 0.578 5.976 0.816) 6.059 11.034 ( -8.047 -11.984 -0.309) 14.438 11.383 ( -6.093 7.306 -2.033) 9.728 11.458 ( -2.557 3.300 0.882) 4.267 11.770 ( 1.367 0.944 -2.372) 2.896 11.822 ( 3.009 -3.544 0.467) 4.673 11.964 ( -1.947 5.540 3.946) 7.075 12.154 ( 1.735 -10.085 6.242) 11.987 12.472 ( -3.649 11.697 0.872) 12.284 12.605 ( 0.154 -0.273 -2.115) 2.138 12.906 ( 4.351 13.009 -5.175) 14.661 13.089 ( -1.396 -1.436 -4.161) 4.618 13.240 ( 1.069 -4.790 -3.271) 5.898 13.299 ( -0.997 -8.107 -3.664) 8.952 13.752 ( -0.539 0.789 0.021) 0.956 13.847 ( -2.104 -7.970 2.276) 8.552 14.384 ( 3.347 4.274 0.066) 5.429 14.502 ( 4.678 -7.659 -1.502) 9.100 15.858 ( 2.429 19.727 -0.412) 19.880 16.212 ( 0.369 -16.813 0.494) 16.824 17.594 ( -4.156 9.653 4.883) 11.589 17.648 ( -4.202 5.321 2.459) 7.212 17.983 ( 1.389 23.164 1.449) 23.251 18.262 ( -5.430 3.981 2.449) 7.164 18.397 ( 3.003 -2.649 -7.283) 8.311 18.625 ( -5.279 -16.361 -1.875) 17.294 19.577 ( -13.198 28.546 2.954) 31.587 20.018 ( 0.554 -11.454 0.335) 11.472 20.343 ( 4.688 4.075 -1.614) 6.418 20.594 ( 1.860 -18.185 0.374) 18.284 24.465 ( -23.282 31.559 -30.705) 49.808 24.990 ( -11.631 -22.707 -18.129) 31.298 25.556 ( 13.956 1.792 30.253) 33.365 25.639 ( 9.941 -5.806 18.130) 21.476 28.006 ( 0.675 9.187 0.115) 9.213 28.203 ( 0.710 -10.359 0.570) 10.399 ======================= Grid point 35 (21/128) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 18.496 7.783 5.999) 20.944 1.857 ( 14.200 -4.492 2.396) 15.085 2.041 ( 16.782 12.531 3.708) 21.269 2.272 ( 11.479 -11.196 5.329) 16.897 2.756 ( -6.742 2.530 -5.952) 9.342 2.796 ( -3.085 -1.363 -6.294) 7.140 3.142 ( 1.605 6.304 -3.925) 7.597 3.160 ( -6.714 3.269 -4.366) 8.650 3.407 ( -3.173 7.886 5.391) 10.066 3.527 ( -0.213 -3.561 15.807) 16.205 3.853 ( -10.209 2.177 8.234) 13.295 3.885 ( -13.827 0.529 2.024) 13.985 3.902 ( -1.926 25.040 5.293) 25.665 4.268 ( -2.912 -8.296 2.542) 9.152 4.396 ( -3.420 21.985 -3.108) 22.465 4.680 ( -4.113 10.688 -0.641) 11.470 4.819 ( -1.123 4.944 -0.531) 5.098 4.922 ( 5.225 -2.104 -11.427) 12.739 4.999 ( 5.669 5.123 -5.886) 9.645 5.295 ( -1.260 -1.090 9.407) 9.553 5.573 ( -0.058 -10.850 1.135) 10.909 5.632 ( -1.149 -16.583 6.724) 17.931 5.861 ( 7.663 2.172 -4.335) 9.068 5.908 ( 7.601 -2.839 -5.002) 9.531 6.269 ( -1.523 4.954 -5.166) 7.318 6.300 ( -2.083 1.279 -1.615) 2.930 7.029 ( 6.671 7.267 -5.637) 11.362 7.133 ( 5.762 -3.128 -4.922) 8.198 7.523 ( 2.266 1.014 3.927) 4.646 7.603 ( 5.450 -5.605 0.368) 7.827 8.056 ( 1.194 4.142 4.897) 6.524 8.164 ( 3.357 -7.367 3.880) 8.977 8.583 ( -3.795 7.083 3.177) 8.641 8.722 ( -3.725 0.067 -0.356) 3.743 8.807 ( 3.868 -3.683 1.078) 5.449 8.911 ( 2.952 -7.645 -2.229) 8.493 9.484 ( 0.018 8.930 1.637) 9.079 9.668 ( -1.180 -7.831 -0.266) 7.924 10.054 ( 0.100 6.780 -4.218) 7.985 10.197 ( 2.358 -7.499 -6.815) 10.404 10.639 ( -3.939 8.944 1.663) 9.914 10.800 ( 8.380 9.670 -0.377) 12.801 10.841 ( -6.013 -9.930 -0.753) 11.633 10.977 ( 12.046 -7.696 3.414) 14.696 11.306 ( -0.095 4.663 0.172) 4.667 11.409 ( -1.529 -2.966 -0.891) 3.454 11.792 ( 1.230 2.839 -2.310) 3.861 11.889 ( 3.485 -3.616 0.460) 5.043 11.949 ( -0.354 10.506 6.455) 12.335 12.117 ( -5.359 -0.686 4.654) 7.131 12.441 ( -0.042 6.078 4.327) 7.461 12.590 ( -1.309 -3.886 -1.848) 4.498 12.957 ( 0.318 4.489 -2.866) 5.336 13.056 ( -1.291 -2.750 -9.237) 9.724 13.214 ( -3.612 0.818 -3.587) 5.156 13.284 ( -0.735 -6.720 -1.613) 6.950 13.771 ( 2.596 -0.523 -2.880) 3.912 13.841 ( 2.863 -7.282 -1.422) 7.952 14.467 ( 4.736 3.985 -0.212) 6.193 14.588 ( 3.853 -8.206 -1.201) 9.144 15.940 ( 6.308 17.159 -0.604) 18.291 16.250 ( 4.107 -14.371 0.397) 14.951 17.469 ( -8.906 10.253 9.219) 16.414 17.556 ( -5.098 1.410 6.468) 8.356 18.029 ( 2.820 23.622 -1.077) 23.814 18.146 ( -5.432 11.577 2.107) 12.960 18.468 ( 3.610 -9.527 -8.649) 13.364 18.488 ( -7.402 -12.833 -3.014) 15.119 19.358 ( -9.546 37.949 2.421) 39.206 19.995 ( -2.183 -21.883 1.285) 22.029 20.396 ( 0.380 5.675 -1.603) 5.909 20.610 ( -0.621 -14.536 1.367) 14.613 24.127 ( -9.425 39.104 -19.859) 44.860 24.796 ( -6.190 -29.576 -14.762) 33.629 25.707 ( -0.113 2.318 18.359) 18.505 25.782 ( 3.592 -4.800 12.647) 13.996 28.024 ( 0.970 8.736 2.256) 9.075 28.219 ( 0.738 -10.401 1.645) 10.557 ======================= Grid point 36 (22/128) ======================= q-point: ( 0.30 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 14.344 2.355 4.634) 15.257 2.101 ( 9.656 -0.298 2.229) 9.915 2.327 ( 11.923 7.842 2.419) 14.475 2.458 ( 7.596 -5.906 4.365) 10.566 2.641 ( -2.537 6.350 -7.716) 10.310 2.745 ( -0.434 -3.553 -9.908) 10.535 3.028 ( -6.357 2.051 -1.014) 6.756 3.070 ( -6.160 -1.494 -3.796) 7.388 3.447 ( -0.761 5.443 17.991) 18.812 3.515 ( -4.423 -1.185 24.606) 25.029 3.661 ( -4.954 4.131 -9.314) 11.329 3.716 ( -3.935 -0.772 -10.901) 11.615 3.887 ( -0.140 26.103 3.042) 26.280 4.197 ( -4.003 3.300 5.693) 7.703 4.381 ( 2.206 9.273 -0.683) 9.557 4.589 ( -5.006 3.294 1.554) 6.190 4.785 ( -2.098 21.014 2.516) 21.268 5.009 ( 4.779 0.221 -11.700) 12.641 5.096 ( 4.562 -2.894 -7.689) 9.398 5.274 ( -1.375 -6.809 8.093) 10.665 5.540 ( -3.091 -10.182 2.066) 10.839 5.586 ( -3.826 -10.534 7.709) 13.602 5.996 ( 5.949 1.830 -4.647) 7.767 6.040 ( 5.557 -3.188 -3.209) 7.165 6.233 ( -1.609 4.930 -4.705) 7.002 6.265 ( -1.283 0.714 0.212) 1.484 7.147 ( 6.231 5.508 -6.751) 10.712 7.232 ( 5.084 -3.656 -3.993) 7.427 7.565 ( 1.315 2.847 4.721) 5.667 7.684 ( 2.310 -7.904 2.064) 8.490 8.111 ( 3.103 9.263 3.927) 10.528 8.230 ( 2.938 -3.134 1.985) 4.732 8.570 ( 3.156 2.865 2.289) 4.838 8.692 ( 0.283 -7.953 0.481) 7.973 8.901 ( 5.490 2.713 -0.613) 6.155 9.003 ( 6.067 -6.264 -0.068) 8.721 9.465 ( -1.274 11.464 0.626) 11.551 9.608 ( -4.052 0.411 -4.674) 6.200 10.015 ( -3.805 1.315 -0.926) 4.131 10.148 ( -6.224 -9.501 -6.803) 13.240 10.582 ( -1.719 3.227 0.995) 3.790 10.668 ( -6.544 -2.466 0.402) 7.005 10.944 ( 0.953 7.175 -1.889) 7.480 11.148 ( 3.590 -8.446 -1.414) 9.286 11.372 ( 6.190 8.638 2.001) 10.813 11.510 ( 12.003 -3.686 1.560) 12.653 11.816 ( 1.289 6.408 -2.109) 6.868 11.935 ( 0.676 11.010 2.924) 11.412 11.962 ( 1.776 -2.464 2.715) 4.074 12.024 ( -2.865 2.807 3.516) 5.334 12.440 ( -1.329 0.818 6.473) 6.658 12.558 ( -1.982 -7.676 0.389) 7.937 12.916 ( -3.602 3.672 -2.215) 5.601 13.013 ( -2.580 -3.835 -11.712) 12.591 13.139 ( -3.434 0.871 0.469) 3.574 13.243 ( -2.888 -8.643 1.168) 9.187 13.846 ( 5.223 3.017 -4.551) 7.556 13.944 ( 6.876 -6.962 -6.032) 11.495 14.547 ( 3.271 1.478 -0.116) 3.591 14.643 ( 2.199 -7.841 -0.206) 8.147 16.098 ( 9.895 15.445 -0.329) 18.346 16.372 ( 7.833 -12.112 0.254) 14.426 17.316 ( -6.604 13.493 9.005) 17.514 17.476 ( -3.543 -3.787 7.686) 9.272 18.038 ( -2.597 14.370 1.986) 14.737 18.103 ( 0.881 18.454 -2.189) 18.604 18.324 ( -7.758 -3.743 -2.226) 8.897 18.542 ( 3.507 -13.410 -6.804) 15.441 19.208 ( -6.491 43.766 1.186) 44.260 19.944 ( -3.176 -23.670 0.940) 23.900 20.370 ( -2.231 3.940 -1.223) 4.690 20.571 ( -3.329 -13.245 1.721) 13.765 24.041 ( 0.479 38.235 -9.772) 39.467 24.726 ( -0.600 -31.221 -8.719) 32.421 25.640 ( -6.479 8.282 7.020) 12.643 25.807 ( -1.016 -8.348 5.544) 10.073 28.038 ( 0.132 8.236 3.583) 8.982 28.229 ( 0.016 -10.303 2.255) 10.547 ======================= Grid point 37 (23/128) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -0.152 1.148 1.635) 2.003 2.214 ( 2.563 0.112 1.038) 2.767 2.492 ( 5.138 5.233 0.820) 7.380 2.584 ( 3.959 -4.319 1.524) 6.054 2.687 ( 6.241 6.898 -6.186) 11.171 2.778 ( 3.887 -1.405 -6.713) 7.884 2.939 ( -1.652 2.304 1.864) 3.393 3.011 ( 1.239 -4.150 1.622) 4.624 3.355 ( -6.482 1.930 7.557) 10.141 3.385 ( -7.331 -0.551 8.240) 11.043 3.600 ( -4.386 6.692 -3.539) 8.749 3.655 ( -4.111 1.325 -4.246) 6.057 3.920 ( 1.960 27.254 1.573) 27.370 4.192 ( 4.063 1.519 4.267) 6.085 4.451 ( 3.924 0.607 0.202) 3.976 4.502 ( -4.104 2.170 1.842) 4.995 4.748 ( -1.831 28.528 1.983) 28.655 5.078 ( 3.199 1.984 -9.560) 10.274 5.148 ( 1.155 -1.889 -1.123) 2.483 5.279 ( 1.839 -14.214 -1.139) 14.377 5.476 ( -3.352 -9.336 3.531) 10.529 5.511 ( -4.264 -7.285 7.316) 11.171 6.057 ( 0.723 3.208 -3.645) 4.909 6.102 ( 1.547 -1.274 -1.762) 2.669 6.220 ( 0.509 3.029 -1.927) 3.626 6.254 ( 0.192 -0.318 0.617) 0.721 7.253 ( 5.026 3.161 -5.435) 8.049 7.314 ( 3.412 -3.195 -2.109) 5.128 7.577 ( -0.307 3.517 3.818) 5.200 7.700 ( -0.327 -8.309 2.346) 8.640 8.132 ( -0.785 11.149 1.519) 11.280 8.291 ( 2.756 -2.747 1.135) 4.053 8.678 ( 6.170 0.427 0.737) 6.229 8.728 ( 3.130 -5.062 -0.045) 5.952 9.007 ( 4.931 4.099 0.598) 6.440 9.122 ( 5.548 -5.740 1.806) 8.184 9.447 ( -0.596 11.899 -2.459) 12.165 9.521 ( -3.911 6.888 -3.464) 8.645 9.907 ( -6.890 -3.476 -3.219) 8.362 10.012 ( -5.676 -11.658 0.394) 12.972 10.567 ( -0.240 -0.371 -0.741) 0.862 10.586 ( -2.302 -1.601 0.089) 2.806 10.918 ( -2.018 8.267 -0.996) 8.568 11.141 ( -1.754 -11.809 -1.310) 12.010 11.499 ( 4.275 20.328 2.361) 20.907 11.733 ( 9.637 -1.895 -0.711) 9.848 11.814 ( -0.961 9.827 -1.959) 10.067 11.966 ( 2.094 3.752 -0.490) 4.325 11.992 ( -0.004 5.150 7.054) 8.734 12.054 ( 6.555 -1.484 -1.610) 6.911 12.381 ( -5.743 -1.117 5.976) 8.363 12.511 ( -2.907 -13.173 2.171) 13.663 12.852 ( -1.878 4.642 -1.445) 5.212 12.948 ( -2.956 -5.013 -8.496) 10.298 13.091 ( -1.503 0.664 1.085) 1.969 13.202 ( -1.360 -9.557 0.814) 9.687 13.934 ( 3.640 6.051 -3.508) 7.884 14.056 ( 4.598 -6.692 -4.509) 9.287 14.587 ( 1.063 0.082 0.066) 1.068 14.679 ( 1.495 -8.989 0.451) 9.123 16.292 ( 9.293 13.249 0.098) 16.184 16.499 ( 4.034 -7.239 0.603) 8.309 17.259 ( -0.111 14.199 5.090) 15.084 17.442 ( -0.608 -6.504 4.292) 7.816 17.990 ( -1.914 8.239 1.947) 8.680 18.094 ( -2.659 7.516 -0.594) 7.995 18.209 ( -3.256 15.469 -1.619) 15.890 18.589 ( 1.809 -14.934 -3.704) 15.492 19.109 ( -3.749 47.160 0.092) 47.308 19.883 ( -2.829 -20.707 0.427) 20.904 20.333 ( -1.155 -1.572 -0.856) 2.130 20.502 ( -3.469 -11.653 1.136) 12.212 24.078 ( 2.763 35.199 -3.294) 35.460 24.731 ( 0.981 -30.529 -3.667) 30.764 25.520 ( -5.318 13.645 1.185) 14.693 25.780 ( -1.579 -12.354 1.352) 12.527 28.037 ( -0.368 8.082 2.567) 8.488 28.225 ( -0.429 -10.126 1.591) 10.259 ======================= Grid point 38 (24/128) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 0.000 3.226 -0.000) 3.226 2.234 ( 0.000 -1.411 0.000) 1.411 2.523 ( 0.000 4.900 -0.000) 4.900 2.618 ( 0.000 -5.010 0.000) 5.010 2.757 ( 0.000 4.580 -0.000) 4.580 2.828 ( 0.000 -2.759 -0.000) 2.759 2.948 ( -0.000 6.367 0.000) 6.367 3.053 ( 0.000 -4.190 -0.000) 4.190 3.295 ( 0.000 -0.130 0.000) 0.130 3.301 ( -0.000 -0.669 -0.000) 0.669 3.535 ( 0.000 9.083 -0.000) 9.083 3.592 ( 0.000 3.023 0.000) 3.023 3.935 ( 0.000 28.467 0.000) 28.467 4.273 ( -0.000 -7.700 -0.000) 7.700 4.445 ( 0.000 5.928 0.000) 5.928 4.497 ( 0.000 -1.959 -0.000) 1.959 4.728 ( 0.000 31.663 0.000) 31.663 5.107 ( 0.000 4.450 -0.000) 4.450 5.155 ( 0.000 -2.768 0.000) 2.768 5.309 ( 0.000 -16.816 -0.000) 16.816 5.440 ( 0.000 -9.333 -0.000) 9.333 5.463 ( -0.000 -5.651 0.000) 5.651 6.055 ( 0.000 4.662 -0.000) 4.662 6.114 ( 0.000 -0.930 -0.000) 0.930 6.227 ( 0.000 1.918 -0.000) 1.918 6.260 ( 0.000 -0.602 0.000) 0.602 7.307 ( 0.000 1.441 0.000) 1.441 7.346 ( 0.000 -2.159 0.000) 2.159 7.572 ( 0.000 3.762 0.000) 3.762 7.695 ( 0.000 -8.247 -0.000) 8.247 8.120 ( 0.000 11.633 -0.000) 11.633 8.317 ( 0.000 -5.655 -0.000) 5.655 8.747 ( 0.000 1.095 0.000) 1.095 8.770 ( 0.000 -1.237 -0.000) 1.237 9.060 ( 0.000 4.937 -0.000) 4.937 9.183 ( 0.000 -4.079 0.000) 4.079 9.436 ( 0.000 8.103 0.000) 8.103 9.483 ( 0.000 9.124 -0.000) 9.124 9.817 ( 0.000 -3.659 0.000) 3.659 9.958 ( 0.000 -13.385 0.000) 13.385 10.561 ( 0.000 0.315 0.000) 0.315 10.570 ( 0.000 -2.955 -0.000) 2.955 10.895 ( 0.000 8.584 0.000) 8.584 11.121 ( 0.000 -12.011 -0.000) 12.011 11.534 ( 0.000 24.734 0.000) 24.734 11.797 ( 0.000 11.160 -0.000) 11.160 11.846 ( 0.000 -6.169 0.000) 6.169 11.972 ( -0.000 15.588 0.000) 15.588 11.997 ( 0.000 -6.595 -0.000) 6.595 12.210 ( 0.000 12.069 -0.000) 12.069 12.246 ( -0.000 -11.528 0.000) 11.528 12.477 ( 0.000 -16.404 0.000) 16.404 12.842 ( 0.000 3.710 -0.000) 3.710 12.908 ( 0.000 -4.966 0.000) 4.966 13.079 ( 0.000 0.759 0.000) 0.759 13.189 ( 0.000 -9.604 -0.000) 9.604 13.968 ( 0.000 7.141 -0.000) 7.141 14.100 ( 0.000 -6.590 0.000) 6.590 14.596 ( 0.000 -0.037 -0.000) 0.037 14.695 ( 0.000 -9.889 -0.000) 9.889 16.398 ( 0.000 10.293 -0.000) 10.293 16.526 ( 0.000 -2.161 -0.000) 2.161 17.274 ( 0.000 13.591 -0.000) 13.591 17.443 ( 0.000 -6.628 -0.000) 6.628 17.979 ( -0.000 3.871 -0.000) 3.871 18.042 ( 0.000 0.346 0.000) 0.346 18.185 ( 0.000 26.663 0.000) 26.663 18.605 ( 0.000 -15.468 -0.000) 15.468 19.072 ( 0.000 48.298 -0.000) 48.298 19.853 ( 0.000 -18.707 0.000) 18.707 20.324 ( 0.000 -5.466 0.000) 5.466 20.464 ( 0.000 -10.006 0.000) 10.006 24.108 ( 0.000 33.699 -0.000) 33.699 24.741 ( 0.000 -29.858 0.000) 29.858 25.466 ( 0.000 15.723 0.000) 15.723 25.763 ( 0.000 -14.082 0.000) 14.082 28.034 ( 0.000 8.053 -0.000) 8.053 28.221 ( 0.000 -10.021 0.000) 10.021 ======================= Grid point 77 (25/128) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 4.225 0.000 21.857) 22.262 0.502 ( -15.960 0.000 24.769) 29.466 0.940 ( 0.074 0.000 1.971) 1.973 0.977 ( 18.301 0.000 47.643) 51.037 1.974 ( 2.320 0.000 8.532) 8.842 2.243 ( -0.364 0.000 -7.944) 7.952 2.385 ( 3.499 0.000 -12.322) 12.809 2.803 ( -1.128 0.000 -1.450) 1.837 3.129 ( -9.823 0.000 -21.356) 23.506 3.338 ( 0.812 0.000 -2.218) 2.362 3.591 ( 11.249 0.000 -2.204) 11.463 3.662 ( 1.626 0.000 -3.818) 4.150 3.877 ( -3.305 0.000 0.419) 3.331 4.151 ( 3.326 0.000 -5.775) 6.664 4.187 ( -2.806 0.000 -4.780) 5.543 4.318 ( -9.949 0.000 -5.178) 11.216 4.530 ( 9.358 0.000 4.128) 10.228 4.589 ( -5.373 0.000 2.671) 6.000 4.846 ( -16.868 0.000 4.009) 17.338 5.156 ( 0.658 0.000 -4.542) 4.590 5.502 ( 2.815 0.000 5.732) 6.386 5.503 ( 6.152 0.000 -11.673) 13.195 5.986 ( -1.913 0.000 -7.569) 7.807 6.201 ( -2.697 0.000 17.293) 17.502 6.411 ( 4.417 0.000 7.354) 8.579 6.689 ( 0.701 0.000 4.467) 4.522 6.823 ( 1.877 0.000 1.747) 2.564 7.070 ( -3.653 0.000 1.601) 3.988 7.685 ( 1.754 0.000 1.532) 2.329 7.866 ( 1.917 0.000 -0.984) 2.155 8.002 ( -29.475 0.000 -3.142) 29.642 8.324 ( 2.799 0.000 -16.871) 17.102 8.476 ( 2.534 0.000 3.191) 4.075 8.614 ( 6.821 0.000 2.401) 7.231 9.012 ( 7.716 0.000 -7.261) 10.596 9.207 ( -3.506 0.000 11.840) 12.348 9.361 ( -6.090 0.000 -4.425) 7.527 9.748 ( 45.527 0.000 10.010) 46.615 9.917 ( 0.005 0.000 -1.418) 1.418 10.129 ( 5.083 0.000 8.578) 9.970 10.621 ( -20.567 0.000 -4.937) 21.151 10.649 ( -6.317 0.000 1.264) 6.443 10.779 ( 2.108 0.000 3.365) 3.970 10.798 ( -5.205 0.000 -3.016) 6.016 11.104 ( 2.640 0.000 4.719) 5.407 11.200 ( 0.053 0.000 -2.381) 2.382 11.614 ( 9.009 0.000 3.613) 9.706 11.655 ( -7.881 0.000 -7.106) 10.611 11.719 ( -0.657 0.000 -4.891) 4.935 11.891 ( 0.485 0.000 1.112) 1.213 12.514 ( 12.879 0.000 -2.486) 13.116 12.661 ( -11.015 0.000 -0.909) 11.052 12.695 ( -5.598 0.000 8.210) 9.937 13.212 ( 3.329 0.000 -0.984) 3.471 13.783 ( 3.641 0.000 -2.502) 4.417 14.007 ( 1.441 0.000 2.448) 2.840 14.078 ( -2.209 0.000 8.244) 8.535 14.198 ( 9.692 0.000 2.617) 10.039 14.217 ( 0.422 0.000 -0.329) 0.535 14.843 ( 0.930 0.000 -4.005) 4.112 14.903 ( -0.524 0.000 -0.791) 0.948 15.747 ( -35.231 0.000 1.395) 35.259 16.605 ( 2.956 0.000 -4.416) 5.314 17.604 ( 5.675 0.000 -4.835) 7.455 17.756 ( 2.168 0.000 -4.498) 4.993 17.989 (-133.685 0.000 -0.335) 133.685 18.147 ( 0.747 0.000 0.139) 0.760 18.632 ( -6.541 0.000 6.705) 9.367 19.313 ( -6.384 0.000 0.222) 6.388 19.674 ( 16.016 0.000 -7.353) 17.624 20.551 ( -0.244 0.000 -0.188) 0.308 20.589 ( -1.378 0.000 7.191) 7.322 21.307 ( 0.869 0.000 1.481) 1.717 25.555 ( -5.159 0.000 -10.275) 11.498 25.873 ( 3.317 0.000 3.925) 5.139 26.989 ( 114.372 0.000 -0.768) 114.375 27.825 ( 1.411 0.000 0.797) 1.621 28.504 ( 0.778 0.000 2.831) 2.936 ======================= Grid point 78 (26/128) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 28.074 0.000 -6.880) 28.905 0.695 ( 9.059 0.000 11.306) 14.488 1.010 ( 9.044 0.000 4.664) 10.176 1.647 ( 36.216 0.000 38.420) 52.799 2.026 ( 2.120 0.000 6.365) 6.709 2.240 ( 0.489 0.000 -5.514) 5.536 2.462 ( 4.910 0.000 -11.106) 12.143 2.795 ( -1.324 0.000 -5.458) 5.616 2.882 ( -11.683 0.000 -16.797) 20.460 3.326 ( -2.017 0.000 -1.257) 2.376 3.611 ( -10.537 0.000 -2.347) 10.795 3.681 ( -0.278 0.000 -0.686) 0.740 3.777 ( -3.171 0.000 0.571) 3.222 4.135 ( 4.461 0.000 1.135) 4.603 4.170 ( -4.460 0.000 -5.064) 6.748 4.417 ( 10.775 0.000 -13.559) 17.319 4.437 ( -8.397 0.000 1.637) 8.555 4.531 ( -3.455 0.000 13.939) 14.361 4.896 ( 15.866 0.000 -0.765) 15.885 5.028 ( -5.058 0.000 -11.343) 12.419 5.615 ( 6.112 0.000 -8.830) 10.739 5.682 ( 7.884 0.000 3.300) 8.547 5.951 ( -1.146 0.000 -5.396) 5.517 6.138 ( -5.493 0.000 17.795) 18.624 6.455 ( -1.426 0.000 5.070) 5.267 6.648 ( -3.812 0.000 6.445) 7.488 6.788 ( -11.996 0.000 12.888) 17.607 7.103 ( 6.655 0.000 -1.237) 6.769 7.341 ( -15.264 0.000 14.382) 20.972 7.678 ( -2.726 0.000 3.833) 4.704 7.873 ( -1.474 0.000 1.718) 2.264 8.378 ( 4.213 0.000 -16.412) 16.944 8.522 ( 0.838 0.000 6.190) 6.247 8.582 ( 0.163 0.000 -0.575) 0.598 8.924 ( -8.799 0.000 -5.400) 10.324 9.139 ( -4.535 0.000 11.034) 11.930 9.368 ( 0.116 0.000 1.651) 1.655 9.775 ( -9.685 0.000 0.961) 9.732 10.174 ( -7.193 0.000 6.640) 9.789 10.370 ( 13.528 0.000 10.753) 17.281 10.400 ( 7.135 0.000 -10.252) 12.491 10.633 ( -2.228 0.000 0.833) 2.379 10.835 ( 7.806 0.000 -8.581) 11.600 10.840 ( 3.954 0.000 4.071) 5.675 11.222 ( 1.189 0.000 -0.105) 1.193 11.349 ( 12.515 0.000 -11.912) 17.278 11.535 ( -1.698 0.000 -16.104) 16.193 11.613 ( -7.337 0.000 -3.434) 8.101 11.713 ( -0.426 0.000 2.636) 2.671 11.929 ( 1.389 0.000 -1.895) 2.349 12.485 ( -7.530 0.000 -4.700) 8.876 12.585 ( -6.604 0.000 3.327) 7.394 12.905 ( 22.307 0.000 -10.196) 24.527 13.249 ( 0.808 0.000 3.008) 3.114 13.689 ( -12.415 0.000 0.725) 12.436 13.958 ( -3.769 0.000 -1.086) 3.922 14.117 ( 5.613 0.000 5.795) 8.068 14.178 ( -9.177 0.000 5.042) 10.470 14.423 ( -41.065 0.000 43.387) 59.739 14.666 ( 23.039 0.000 -9.109) 24.775 14.883 ( 3.583 0.000 -3.428) 4.959 14.910 ( 0.771 0.000 0.942) 1.218 16.631 ( -0.181 0.000 -1.214) 1.228 16.881 ( -1.054 0.000 2.797) 2.988 17.677 ( 2.109 0.000 1.201) 2.427 17.810 ( 2.667 0.000 -4.893) 5.573 18.135 ( -1.456 0.000 -0.078) 1.458 18.533 ( -3.502 0.000 2.311) 4.196 19.232 ( -11.473 0.000 3.486) 11.991 19.931 ( 0.367 0.000 13.281) 13.286 20.579 ( 3.005 0.000 -0.049) 3.005 21.184 ( 46.702 0.000 -19.956) 50.787 21.298 ( -1.864 0.000 1.521) 2.406 25.462 ( -3.400 0.000 -8.990) 9.612 25.935 ( 2.834 0.000 2.185) 3.579 27.033 ( -40.380 0.000 -12.166) 42.173 28.341 ( 9.915 0.000 4.290) 10.803 28.519 ( 0.399 0.000 2.955) 2.982 ======================= Grid point 79 (27/128) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.993 0.000 2.650) 2.831 1.136 ( 34.501 0.000 -23.848) 41.941 1.299 ( 17.980 0.000 4.720) 18.589 2.061 ( 1.269 0.000 2.012) 2.378 2.250 ( 0.871 0.000 -3.065) 3.186 2.347 ( 33.145 0.000 28.829) 43.929 2.536 ( 3.602 0.000 -9.215) 9.894 2.538 ( -16.114 0.000 -17.373) 23.695 2.879 ( 4.456 0.000 -3.791) 5.851 3.263 ( -4.212 0.000 -0.302) 4.222 3.313 ( -18.180 0.000 -5.557) 19.011 3.573 ( -12.987 0.000 -3.378) 13.419 3.677 ( -7.069 0.000 -1.121) 7.157 3.975 ( -8.236 0.000 5.980) 10.178 4.235 ( 4.024 0.000 -4.000) 5.674 4.387 ( -9.196 0.000 18.977) 21.088 4.510 ( 11.495 0.000 -14.082) 18.178 4.632 ( 6.621 0.000 -3.972) 7.721 5.085 ( 12.297 0.000 -18.298) 22.046 5.209 ( 14.689 0.000 3.122) 15.018 5.709 ( 3.875 0.000 -3.929) 5.519 5.744 ( -1.088 0.000 4.204) 4.342 5.926 ( -1.619 0.000 -1.869) 2.473 6.041 ( -4.668 0.000 15.737) 16.415 6.387 ( -5.262 0.000 5.986) 7.970 6.489 ( -10.687 0.000 12.759) 16.644 6.626 ( -2.356 0.000 7.096) 7.477 7.294 ( 12.542 0.000 -4.136) 13.207 7.377 ( 8.096 0.000 -5.033) 9.533 7.590 ( -6.719 0.000 4.362) 8.011 7.861 ( 0.922 0.000 4.264) 4.363 8.451 ( 4.251 0.000 -11.175) 11.956 8.473 ( -4.708 0.000 1.882) 5.071 8.676 ( 2.103 0.000 0.565) 2.178 8.739 ( -4.533 0.000 0.809) 4.605 9.054 ( -4.712 0.000 8.409) 9.639 9.343 ( -2.178 0.000 2.497) 3.314 9.611 ( -7.351 0.000 1.793) 7.567 10.210 ( 7.132 0.000 -2.016) 7.411 10.339 ( -7.344 0.000 -7.337) 10.380 10.534 ( 0.654 0.000 13.920) 13.936 10.600 ( -1.030 0.000 -1.811) 2.083 10.934 ( 1.160 0.000 -1.104) 1.601 10.978 ( 11.016 0.000 4.133) 11.765 11.230 ( 0.441 0.000 -2.607) 2.644 11.444 ( -6.391 0.000 -4.382) 7.749 11.474 ( -0.624 0.000 -6.022) 6.054 11.591 ( 8.373 0.000 -22.367) 23.883 11.708 ( 0.517 0.000 6.696) 6.716 11.915 ( -1.892 0.000 -7.549) 7.783 12.389 ( -1.287 0.000 -4.765) 4.935 12.438 ( -8.885 0.000 0.017) 8.885 13.184 ( 6.428 0.000 -1.948) 6.717 13.276 ( 2.176 0.000 6.299) 6.664 13.388 ( -12.488 0.000 5.594) 13.684 13.860 ( -7.160 0.000 -1.439) 7.304 13.946 ( -4.667 0.000 12.323) 13.177 14.222 ( -1.598 0.000 4.161) 4.458 14.285 ( 10.688 0.000 3.597) 11.277 14.852 ( 0.643 0.000 -4.939) 4.981 14.977 ( 6.764 0.000 -2.892) 7.357 15.174 ( 18.421 0.000 -5.789) 19.309 16.591 ( -4.136 0.000 1.906) 4.554 17.064 ( 16.216 0.000 -9.877) 18.987 17.694 ( -0.945 0.000 4.461) 4.560 17.807 ( -2.202 0.000 0.694) 2.308 18.098 ( -3.239 0.000 3.674) 4.898 18.529 ( 3.709 0.000 -8.289) 9.081 18.921 ( -20.063 0.000 8.446) 21.768 19.873 ( -6.089 0.000 15.800) 16.933 20.652 ( 4.090 0.000 0.340) 4.104 21.245 ( -3.554 0.000 0.725) 3.627 22.007 ( 38.754 0.000 -10.596) 40.176 25.417 ( -0.422 0.000 -6.557) 6.570 25.986 ( 2.478 0.000 0.775) 2.596 26.191 ( -42.493 0.000 -9.279) 43.494 28.355 ( -4.512 0.000 13.452) 14.189 28.518 ( -0.771 0.000 2.406) 2.527 ======================= Grid point 80 (28/128) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.463 0.000 0.016) 0.463 1.642 ( 16.777 0.000 0.837) 16.798 1.726 ( 28.052 0.000 -25.489) 37.903 2.093 ( 2.723 0.000 -3.083) 4.113 2.243 ( -11.671 0.000 -13.519) 17.860 2.265 ( 0.868 0.000 -1.844) 2.038 2.582 ( 1.642 0.000 -6.758) 6.955 2.845 ( 5.863 0.000 3.038) 6.603 2.961 ( -13.673 0.000 -3.947) 14.232 3.065 ( 21.419 0.000 7.650) 22.744 3.176 ( -5.374 0.000 2.115) 5.775 3.245 ( -16.606 0.000 -11.424) 20.156 3.542 ( -5.888 0.000 -1.499) 6.075 3.894 ( -3.142 0.000 11.093) 11.529 4.132 ( -12.871 0.000 11.224) 17.077 4.356 ( 3.744 0.000 6.655) 7.636 4.690 ( 0.158 0.000 -3.216) 3.220 4.736 ( 11.433 0.000 -20.826) 23.758 5.336 ( 11.343 0.000 -12.206) 16.663 5.387 ( 2.358 0.000 12.704) 12.921 5.716 ( 0.312 0.000 0.769) 0.830 5.761 ( 2.153 0.000 2.310) 3.158 5.871 ( -3.646 0.000 -1.192) 3.836 6.059 ( 6.690 0.000 7.202) 9.830 6.257 ( -8.244 0.000 10.350) 13.232 6.410 ( 0.173 0.000 -0.249) 0.303 6.593 ( -1.848 0.000 5.167) 5.488 7.432 ( -9.846 0.000 4.100) 10.666 7.512 ( 6.231 0.000 -5.592) 8.373 7.541 ( 12.810 0.000 -6.784) 14.495 7.926 ( 4.897 0.000 4.033) 6.344 8.351 ( -7.908 0.000 -1.809) 8.112 8.498 ( 0.517 0.000 -1.839) 1.911 8.517 ( -8.877 0.000 0.891) 8.922 8.886 ( 9.424 0.000 7.663) 12.146 9.010 ( 0.782 0.000 3.679) 3.761 9.301 ( -2.405 0.000 2.559) 3.512 9.486 ( -6.346 0.000 2.316) 6.756 10.160 ( -7.856 0.000 -13.340) 15.481 10.386 ( 8.564 0.000 -2.849) 9.026 10.470 ( -6.226 0.000 12.211) 13.706 10.600 ( 1.611 0.000 -2.671) 3.119 10.896 ( -3.790 0.000 1.838) 4.212 11.211 ( 10.859 0.000 1.537) 10.968 11.241 ( 1.113 0.000 -5.857) 5.962 11.299 ( -6.799 0.000 -1.715) 7.012 11.432 ( -4.073 0.000 -0.492) 4.103 11.730 ( -0.070 0.000 7.748) 7.749 11.790 ( 13.702 0.000 -19.822) 24.096 11.880 ( -0.306 0.000 -5.994) 6.002 12.248 ( -10.594 0.000 -3.549) 11.173 12.412 ( 3.264 0.000 -7.223) 7.927 13.128 ( -6.000 0.000 2.488) 6.495 13.344 ( 1.427 0.000 0.596) 1.546 13.346 ( 4.163 0.000 8.125) 9.129 13.719 ( -7.125 0.000 -4.328) 8.336 13.907 ( -1.354 0.000 8.448) 8.556 14.231 ( 2.048 0.000 0.099) 2.050 14.491 ( 9.235 0.000 2.424) 9.548 14.868 ( 2.074 0.000 -5.360) 5.748 15.158 ( 12.721 0.000 -2.037) 12.883 15.421 ( 8.011 0.000 -2.855) 8.505 16.473 ( -8.485 0.000 4.028) 9.392 17.425 ( 21.303 0.000 -9.184) 23.199 17.633 ( -5.149 0.000 7.125) 8.791 17.784 ( -0.056 0.000 -0.116) 0.129 17.999 ( -7.481 0.000 8.614) 11.409 18.525 ( -21.160 0.000 10.401) 23.578 18.641 ( 7.808 0.000 -13.016) 15.179 19.739 ( -9.026 0.000 15.126) 17.615 20.717 ( 2.273 0.000 0.466) 2.320 21.179 ( -2.836 0.000 -0.356) 2.858 22.633 ( 26.796 0.000 -0.926) 26.811 25.432 ( 2.208 0.000 -3.392) 4.047 25.467 ( -30.907 0.000 -11.993) 33.152 26.034 ( 2.430 0.000 -0.289) 2.447 28.245 ( -7.522 0.000 9.277) 11.943 28.492 ( -2.090 0.000 1.402) 2.517 ======================= Grid point 81 (29/128) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 1.627 0.000 -1.271) 2.065 1.917 ( 11.094 0.000 -1.004) 11.139 1.985 ( -1.191 0.000 -16.768) 16.810 2.179 ( 6.651 0.000 -6.048) 8.990 2.263 ( 16.872 0.000 -12.758) 21.152 2.279 ( 0.751 0.000 -1.528) 1.702 2.578 ( -1.099 0.000 -10.889) 10.944 2.627 ( -13.157 0.000 -11.459) 17.447 2.903 ( -1.067 0.000 0.524) 1.189 2.928 ( -12.214 0.000 -11.621) 16.859 3.131 ( -1.767 0.000 3.451) 3.877 3.411 ( -0.733 0.000 1.121) 1.339 3.581 ( 17.457 0.000 3.749) 17.855 3.836 ( -4.194 0.000 13.793) 14.417 3.906 ( -9.193 0.000 9.708) 13.370 4.449 ( 5.492 0.000 5.594) 7.839 4.619 ( -8.008 0.000 0.103) 8.009 4.829 ( -0.939 0.000 -21.124) 21.145 5.423 ( 3.312 0.000 13.207) 13.616 5.442 ( 2.456 0.000 -4.680) 5.286 5.785 ( -0.392 0.000 5.860) 5.873 5.795 ( 4.383 0.000 -0.462) 4.407 5.813 ( -0.213 0.000 -5.395) 5.399 6.107 ( -7.414 0.000 6.131) 9.621 6.265 ( 11.824 0.000 2.581) 12.103 6.439 ( 1.846 0.000 0.919) 2.062 6.568 ( -0.812 0.000 4.047) 4.127 7.235 ( -10.124 0.000 4.658) 11.144 7.623 ( 5.925 0.000 -2.659) 6.494 7.753 ( 9.718 0.000 -8.681) 13.030 8.019 ( 3.736 0.000 -0.079) 3.737 8.189 ( -8.070 0.000 -1.302) 8.175 8.376 ( -5.988 0.000 3.848) 7.118 8.463 ( -3.661 0.000 4.786) 6.026 9.040 ( 4.578 0.000 5.699) 7.309 9.105 ( 8.042 0.000 2.129) 8.319 9.252 ( -2.801 0.000 4.405) 5.220 9.356 ( -7.467 0.000 2.330) 7.822 10.045 ( -1.806 0.000 -15.718) 15.822 10.361 ( -5.681 0.000 8.275) 10.038 10.494 ( 2.256 0.000 -2.380) 3.280 10.673 ( 5.463 0.000 -0.262) 5.469 10.850 ( 0.440 0.000 -1.110) 1.194 11.194 ( -3.948 0.000 -0.030) 3.948 11.248 ( 1.095 0.000 -5.086) 5.202 11.339 ( -4.979 0.000 0.618) 5.017 11.389 ( 7.188 0.000 -2.296) 7.546 11.692 ( -4.503 0.000 7.499) 8.747 11.896 ( 1.660 0.000 -1.735) 2.401 12.016 ( -5.566 0.000 4.073) 6.897 12.073 ( 9.232 0.000 -27.057) 28.588 12.479 ( 4.180 0.000 -7.145) 8.278 13.048 ( -2.746 0.000 -3.568) 4.502 13.348 ( -0.905 0.000 3.121) 3.250 13.431 ( 3.472 0.000 9.615) 10.222 13.586 ( -5.858 0.000 -6.748) 8.936 13.909 ( 0.784 0.000 9.083) 9.117 14.286 ( 3.382 0.000 -0.401) 3.406 14.616 ( 3.766 0.000 1.533) 4.066 14.929 ( 4.674 0.000 -5.676) 7.352 15.441 ( 15.027 0.000 -0.766) 15.046 15.502 ( 1.340 0.000 -2.575) 2.903 16.285 ( -10.497 0.000 4.535) 11.434 17.547 ( -4.032 0.000 6.854) 7.952 17.787 ( 0.076 0.000 -0.024) 0.079 17.820 ( 17.981 0.000 -0.315) 17.984 17.843 ( -8.797 0.000 8.107) 11.963 18.162 ( -15.353 0.000 4.795) 16.084 18.777 ( 6.943 0.000 -11.134) 13.121 19.571 ( -9.067 0.000 15.335) 17.815 20.734 ( -0.315 0.000 -0.155) 0.351 21.145 ( -0.692 0.000 -0.798) 1.057 23.019 ( 12.935 0.000 2.765) 13.227 25.018 ( -14.389 0.000 -11.851) 18.641 25.486 ( 3.243 0.000 -0.226) 3.251 26.074 ( 1.571 0.000 -1.097) 1.917 28.100 ( -7.710 0.000 3.731) 8.565 28.448 ( -2.249 0.000 0.315) 2.271 ======================= Grid point 82 (30/128) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 1.434 0.000 -0.873) 1.679 1.968 ( 1.306 0.000 -10.021) 10.106 2.023 ( -1.333 0.000 -2.239) 2.606 2.288 ( 1.564 0.000 1.651) 2.274 2.292 ( 2.077 0.000 0.237) 2.090 2.374 ( -9.489 0.000 -16.094) 18.683 2.549 ( 8.872 0.000 -14.209) 16.751 2.577 ( 4.316 0.000 -34.208) 34.479 2.777 ( -1.469 0.000 -2.435) 2.844 2.918 ( 3.741 0.000 2.141) 4.311 3.108 ( -1.786 0.000 7.271) 7.487 3.366 ( -0.576 0.000 6.381) 6.407 3.650 ( -7.006 0.000 -0.826) 7.055 3.771 ( -3.033 0.000 15.274) 15.572 3.998 ( 11.712 0.000 1.623) 11.824 4.372 ( -17.802 0.000 5.265) 18.565 4.589 ( 8.778 0.000 5.577) 10.400 4.718 ( -6.738 0.000 -19.774) 20.890 5.506 ( 5.435 0.000 -2.776) 6.103 5.521 ( 3.447 0.000 7.325) 8.096 5.764 ( -1.264 0.000 7.614) 7.718 5.781 ( -3.148 0.000 -3.517) 4.720 5.832 ( -1.228 0.000 0.622) 1.376 6.057 ( 2.610 0.000 0.859) 2.748 6.416 ( 1.369 0.000 1.913) 2.352 6.453 ( -0.697 0.000 2.929) 3.011 6.586 ( 2.202 0.000 3.858) 4.442 7.114 ( -1.010 0.000 5.034) 5.134 7.728 ( 4.665 0.000 -0.132) 4.667 7.901 ( 6.782 0.000 -8.905) 11.193 8.010 ( -5.534 0.000 -7.623) 9.420 8.096 ( -0.608 0.000 4.042) 4.088 8.312 ( -0.160 0.000 3.888) 3.892 8.384 ( -5.256 0.000 6.851) 8.635 9.021 ( -6.306 0.000 0.187) 6.309 9.193 ( -6.134 0.000 3.113) 6.879 9.229 ( -0.255 0.000 5.148) 5.154 9.300 ( 8.090 0.000 2.355) 8.426 10.079 ( 6.012 0.000 -11.666) 13.124 10.271 ( -4.207 0.000 4.650) 6.271 10.492 ( -1.593 0.000 -4.178) 4.472 10.760 ( 3.826 0.000 7.796) 8.684 10.937 ( 7.583 0.000 -4.852) 9.002 11.141 ( -1.714 0.000 -0.580) 1.810 11.268 ( -1.856 0.000 -1.571) 2.432 11.290 ( 3.689 0.000 -1.624) 4.031 11.476 ( 1.285 0.000 -4.556) 4.734 11.572 ( -8.542 0.000 6.998) 11.042 11.818 ( -8.944 0.000 -6.892) 11.291 11.926 ( 1.543 0.000 -0.075) 1.544 12.312 ( 12.211 0.000 -16.084) 20.194 12.555 ( 3.950 0.000 -4.507) 5.993 12.995 ( -2.627 0.000 -7.640) 8.079 13.334 ( -0.171 0.000 3.351) 3.356 13.481 ( 0.474 0.000 11.484) 11.493 13.502 ( -2.111 0.000 -6.131) 6.484 13.944 ( 1.742 0.000 7.704) 7.898 14.353 ( 3.467 0.000 1.569) 3.806 14.651 ( -0.013 0.000 1.217) 1.217 15.027 ( 5.555 0.000 -4.036) 6.867 15.490 ( -1.791 0.000 -3.749) 4.155 15.601 ( -2.035 0.000 -0.839) 2.201 16.164 ( 0.355 0.000 4.755) 4.768 17.487 ( -3.335 0.000 7.731) 8.420 17.704 ( -4.497 0.000 3.308) 5.583 17.789 ( -13.939 0.000 8.335) 16.241 17.790 ( -0.248 0.000 -0.593) 0.643 18.251 ( 16.528 0.000 -2.974) 16.793 18.877 ( 4.259 0.000 -7.580) 8.695 19.454 ( -3.635 0.000 16.314) 16.714 20.721 ( -0.605 0.000 -0.866) 1.056 21.142 ( 0.082 0.000 -0.741) 0.745 23.138 ( 0.179 0.000 2.494) 2.500 24.885 ( 0.204 0.000 -10.101) 10.103 25.548 ( 2.983 0.000 2.282) 3.756 26.081 ( -0.997 0.000 -1.892) 2.138 27.973 ( -5.226 0.000 -0.375) 5.239 28.417 ( -0.795 0.000 -0.441) 0.909 ======================= Grid point 83 (31/128) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.001 0.000 0.322) 0.322 1.863 ( -13.523 0.000 -1.394) 13.595 1.912 ( -12.468 0.000 -22.207) 25.468 2.200 ( -1.186 0.000 -15.092) 15.139 2.285 ( -3.605 0.000 -1.941) 4.094 2.297 ( 0.327 0.000 -0.246) 0.409 2.597 ( -1.457 0.000 -18.717) 18.773 2.710 ( 10.722 0.000 -9.170) 14.109 2.917 ( 14.288 0.000 -9.270) 17.032 3.019 ( 5.088 0.000 2.336) 5.599 3.084 ( 0.287 0.000 4.906) 4.915 3.452 ( 1.477 0.000 7.285) 7.433 3.490 ( -3.651 0.000 -0.688) 3.715 3.772 ( 1.983 0.000 14.498) 14.633 3.976 ( -21.741 0.000 12.178) 24.919 4.155 ( 4.958 0.000 -1.268) 5.117 4.576 ( -6.026 0.000 -24.920) 25.638 4.764 ( 7.504 0.000 3.190) 8.154 5.490 ( -6.540 0.000 7.572) 10.005 5.642 ( 3.073 0.000 -12.237) 12.617 5.658 ( -1.040 0.000 6.972) 7.049 5.802 ( 3.618 0.000 7.687) 8.496 5.871 ( 3.994 0.000 0.147) 3.997 6.120 ( 2.316 0.000 2.968) 3.765 6.320 ( -9.322 0.000 4.681) 10.431 6.430 ( -1.624 0.000 1.985) 2.565 6.632 ( 1.500 0.000 6.105) 6.286 7.202 ( 7.829 0.000 2.254) 8.147 7.793 ( 2.608 0.000 3.289) 4.198 7.877 ( -7.069 0.000 -5.085) 8.709 8.008 ( 4.684 0.000 -6.150) 7.730 8.102 ( 0.740 0.000 -1.794) 1.940 8.250 ( -9.473 0.000 5.311) 10.860 8.389 ( 7.581 0.000 2.558) 8.001 8.853 ( -10.125 0.000 -2.514) 10.432 9.096 ( -2.527 0.000 1.818) 3.113 9.230 ( -0.053 0.000 2.935) 2.935 9.458 ( 6.868 0.000 4.513) 8.218 10.205 ( 6.414 0.000 -5.457) 8.421 10.211 ( -2.258 0.000 2.123) 3.099 10.438 ( -3.258 0.000 -6.545) 7.311 10.855 ( 4.792 0.000 10.474) 11.518 11.052 ( 2.861 0.000 1.019) 3.037 11.148 ( 2.693 0.000 -7.754) 8.208 11.269 ( 2.186 0.000 -0.606) 2.269 11.330 ( -5.701 0.000 -2.982) 6.434 11.408 ( -6.844 0.000 1.998) 7.130 11.426 ( -0.195 0.000 0.818) 0.841 11.733 ( 0.754 0.000 -10.560) 10.587 11.960 ( 2.217 0.000 0.884) 2.387 12.498 ( 8.448 0.000 -11.186) 14.017 12.595 ( -0.632 0.000 -4.107) 4.155 12.942 ( -1.317 0.000 -7.163) 7.283 13.371 ( 3.510 0.000 4.969) 6.083 13.459 ( -3.984 0.000 13.323) 13.906 13.497 ( 2.292 0.000 -5.613) 6.062 13.981 ( 1.464 0.000 5.334) 5.531 14.416 ( 2.704 0.000 4.004) 4.831 14.622 ( -3.251 0.000 1.725) 3.681 15.111 ( 2.428 0.000 0.576) 2.496 15.401 ( -14.827 0.000 -2.470) 15.031 15.451 ( -1.046 0.000 -5.416) 5.516 16.261 ( 6.061 0.000 5.151) 7.954 17.423 ( -3.284 0.000 5.004) 5.985 17.547 ( -10.898 0.000 -1.614) 11.017 17.704 ( 4.069 0.000 -1.003) 4.191 17.780 ( -0.699 0.000 -0.625) 0.937 18.549 ( 14.535 0.000 6.773) 16.036 18.924 ( 1.127 0.000 -3.920) 4.079 19.478 ( 4.532 0.000 16.840) 17.439 20.716 ( 0.025 0.000 -0.672) 0.673 21.142 ( 0.118 0.000 -0.889) 0.897 23.079 ( -5.434 0.000 5.326) 7.609 24.935 ( 4.104 0.000 -16.011) 16.529 25.602 ( 2.423 0.000 3.808) 4.514 26.030 ( -3.912 0.000 -2.989) 4.923 27.907 ( -1.649 0.000 -1.214) 2.047 28.419 ( 0.906 0.000 -0.560) 1.065 ======================= Grid point 84 (32/128) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -1.581 0.000 1.574) 2.231 1.450 ( -29.647 0.000 -29.869) 42.085 1.550 ( -18.269 0.000 -0.170) 18.270 2.167 ( -7.964 0.000 -1.219) 8.057 2.299 ( -0.108 0.000 -0.294) 0.313 2.314 ( 10.106 0.000 -19.192) 21.690 2.503 ( -5.536 0.000 -12.387) 13.568 2.930 ( 9.681 0.000 0.075) 9.681 3.087 ( -5.876 0.000 4.506) 7.405 3.108 ( -17.349 0.000 -0.023) 17.349 3.132 ( 5.880 0.000 -0.915) 5.950 3.234 ( 15.919 0.000 -6.451) 17.176 3.639 ( 1.275 0.000 2.954) 3.217 3.766 ( 6.571 0.000 11.130) 12.925 3.852 ( 4.575 0.000 11.584) 12.455 4.230 ( 3.628 0.000 -0.451) 3.655 4.441 ( -5.721 0.000 -28.188) 28.763 4.841 ( 0.300 0.000 2.850) 2.866 5.362 ( -5.804 0.000 7.016) 9.106 5.529 ( -5.805 0.000 -10.161) 11.702 5.816 ( -5.515 0.000 4.314) 7.001 5.819 ( 7.540 0.000 -4.971) 9.031 5.979 ( 6.669 0.000 10.149) 12.145 6.131 ( -0.855 0.000 8.167) 8.212 6.173 ( -3.887 0.000 10.737) 11.419 6.402 ( -1.303 0.000 -0.377) 1.356 6.640 ( -1.194 0.000 8.256) 8.342 7.360 ( 7.901 0.000 -0.687) 7.931 7.741 ( -6.454 0.000 -3.546) 7.364 7.867 ( 4.954 0.000 8.528) 9.863 7.923 ( -15.948 0.000 9.731) 18.682 8.117 ( 1.474 0.000 -6.409) 6.576 8.169 ( 3.829 0.000 -11.966) 12.564 8.579 ( 10.446 0.000 -0.406) 10.454 8.662 ( -8.070 0.000 -1.996) 8.313 9.111 ( 3.335 0.000 4.030) 5.230 9.226 ( -0.685 0.000 0.642) 0.939 9.563 ( 3.832 0.000 4.440) 5.865 10.191 ( 0.039 0.000 0.461) 0.463 10.276 ( 0.271 0.000 -3.686) 3.696 10.365 ( -3.212 0.000 -5.290) 6.189 10.925 ( 0.216 0.000 10.356) 10.358 11.022 ( -5.678 0.000 3.085) 6.462 11.111 ( -12.700 0.000 -2.618) 12.967 11.166 ( 2.896 0.000 -11.816) 12.166 11.384 ( 8.874 0.000 -1.841) 9.063 11.401 ( 5.001 0.000 -0.588) 5.036 11.452 ( -1.047 0.000 2.984) 3.162 11.779 ( 4.052 0.000 -10.261) 11.032 12.022 ( 4.217 0.000 1.281) 4.407 12.501 ( -7.981 0.000 -8.552) 11.698 12.631 ( 6.655 0.000 -5.234) 8.467 12.959 ( 2.892 0.000 0.032) 2.892 13.352 ( -8.107 0.000 13.661) 15.886 13.430 ( 1.617 0.000 2.637) 3.093 13.608 ( 9.590 0.000 -1.800) 9.757 14.011 ( 1.508 0.000 3.380) 3.701 14.452 ( 0.289 0.000 5.712) 5.719 14.522 ( -7.545 0.000 3.562) 8.343 15.093 ( -4.391 0.000 3.731) 5.762 15.124 ( -12.395 0.000 -3.726) 12.943 15.474 ( 4.212 0.000 -3.411) 5.419 16.362 ( 4.382 0.000 1.992) 4.814 17.392 ( -0.080 0.000 -0.468) 0.474 17.395 ( -3.438 0.000 -9.211) 9.831 17.763 ( -0.877 0.000 -0.792) 1.182 17.825 ( 7.768 0.000 -1.475) 7.906 18.843 ( 15.590 0.000 12.186) 19.787 18.915 ( -1.865 0.000 -0.405) 1.908 19.633 ( 9.422 0.000 20.011) 22.118 20.707 ( -1.310 0.000 0.196) 1.325 21.154 ( 1.474 0.000 -1.100) 1.840 22.980 ( -4.789 0.000 14.572) 15.339 24.940 ( -3.441 0.000 -34.567) 34.738 25.649 ( 2.232 0.000 3.940) 4.528 25.936 ( -5.326 0.000 -4.124) 6.736 27.900 ( 0.576 0.000 1.945) 2.028 28.443 ( 1.433 0.000 -0.012) 1.433 ======================= Grid point 85 (33/128) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -5.587 0.000 3.770) 6.740 0.793 ( -34.997 0.000 -30.383) 46.346 1.197 ( -17.024 0.000 1.963) 17.137 2.017 ( -6.633 0.000 4.088) 7.792 2.184 ( -32.145 0.000 9.134) 33.417 2.292 ( -0.585 0.000 -1.501) 1.611 2.404 ( -3.191 0.000 -18.017) 18.297 2.858 ( 11.242 0.000 -10.585) 15.441 2.961 ( -3.611 0.000 2.859) 4.606 3.228 ( 8.300 0.000 -11.533) 14.210 3.236 ( 4.770 0.000 -1.974) 5.162 3.502 ( 10.765 0.000 -1.150) 10.826 3.695 ( 5.871 0.000 1.984) 6.197 3.953 ( 5.289 0.000 4.851) 7.177 3.977 ( 9.979 0.000 4.926) 11.129 4.316 ( 5.609 0.000 0.880) 5.677 4.336 ( -1.970 0.000 -19.962) 20.059 4.825 ( -0.591 0.000 4.450) 4.489 5.303 ( -1.239 0.000 1.851) 2.227 5.360 ( -11.853 0.000 -15.394) 19.429 5.602 ( -14.434 0.000 1.304) 14.493 5.879 ( -3.463 0.000 -4.495) 5.675 6.005 ( -1.785 0.000 5.411) 5.697 6.184 ( 1.678 0.000 14.651) 14.747 6.283 ( 14.962 0.000 18.921) 24.122 6.374 ( -1.508 0.000 2.340) 2.784 6.625 ( -0.173 0.000 8.251) 8.253 7.491 ( 3.708 0.000 -0.088) 3.709 7.580 ( -16.406 0.000 5.307) 17.243 7.635 ( -3.737 0.000 1.421) 3.998 7.965 ( 2.900 0.000 15.097) 15.373 8.184 ( 7.217 0.000 -9.616) 12.022 8.242 ( 3.920 0.000 -13.003) 13.580 8.506 ( -5.731 0.000 -3.531) 6.731 8.802 ( 9.480 0.000 -1.123) 9.546 9.199 ( 4.128 0.000 8.245) 9.220 9.210 ( -0.131 0.000 -0.550) 0.566 9.631 ( 3.998 0.000 2.737) 4.845 10.128 ( -13.898 0.000 -7.497) 15.791 10.202 ( 0.432 0.000 -0.315) 0.534 10.385 ( 4.702 0.000 0.521) 4.731 10.848 ( -4.891 0.000 0.882) 4.970 10.892 ( -9.304 0.000 0.536) 9.320 10.975 ( -1.930 0.000 1.676) 2.556 11.243 ( 6.006 0.000 -8.252) 10.206 11.374 ( -6.491 0.000 2.071) 6.813 11.514 ( 4.970 0.000 0.687) 5.017 11.558 ( 8.541 0.000 -2.596) 8.926 11.832 ( 1.276 0.000 -9.132) 9.221 12.092 ( 0.150 0.000 -2.556) 2.560 12.330 ( -5.834 0.000 -8.296) 10.142 12.749 ( 5.042 0.000 3.335) 6.045 13.002 ( -0.508 0.000 4.733) 4.760 13.199 ( -7.458 0.000 8.854) 11.577 13.463 ( 3.067 0.000 -1.415) 3.377 13.811 ( 10.000 0.000 3.565) 10.616 14.052 ( 2.846 0.000 1.443) 3.191 14.349 ( -10.110 0.000 6.281) 11.902 14.422 ( -4.374 0.000 6.538) 7.866 14.941 ( -6.412 0.000 -4.438) 7.798 14.986 ( -5.631 0.000 2.015) 5.981 15.602 ( 9.088 0.000 3.433) 9.715 16.446 ( 4.659 0.000 -3.186) 5.644 17.418 ( 2.973 0.000 -4.320) 5.244 17.455 ( 12.615 0.000 -10.737) 16.566 17.746 ( -0.662 0.000 -0.960) 1.166 17.976 ( 7.497 0.000 -1.058) 7.571 18.855 ( -4.454 0.000 3.006) 5.373 19.149 ( 14.350 0.000 8.670) 16.766 19.863 ( 12.156 0.000 28.617) 31.092 20.659 ( -3.626 0.000 0.518) 3.663 21.201 ( 3.338 0.000 -0.529) 3.379 22.958 ( 0.653 0.000 22.497) 22.507 24.666 ( -22.003 0.000 -54.291) 58.580 25.692 ( 1.636 0.000 0.378) 1.680 25.832 ( -4.523 0.000 -2.626) 5.230 27.917 ( 0.415 0.000 6.619) 6.632 28.468 ( 1.075 0.000 0.988) 1.460 ======================= Grid point 86 (34/128) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.226 ( -2.432 0.000 12.684) 12.915 0.597 ( -12.719 0.000 12.754) 18.012 0.981 ( -5.391 0.000 2.159) 5.807 1.437 ( -42.032 0.000 26.918) 49.912 1.947 ( -1.000 0.000 7.257) 7.325 2.269 ( -1.461 0.000 -6.158) 6.329 2.360 ( 0.288 0.000 -15.928) 15.930 2.855 ( -4.289 0.000 -0.555) 4.325 3.203 ( 13.212 0.000 -28.461) 31.378 3.305 ( 2.738 0.000 -2.695) 3.841 3.321 ( 6.900 0.000 2.013) 7.187 3.625 ( 3.134 0.000 -2.770) 4.182 3.828 ( 6.432 0.000 1.051) 6.518 4.068 ( 5.854 0.000 -1.379) 6.014 4.121 ( 5.471 0.000 -5.075) 7.463 4.360 ( 5.852 0.000 -4.839) 7.593 4.424 ( 3.809 0.000 2.588) 4.605 4.858 ( -2.286 0.000 -6.229) 6.635 5.058 ( -11.113 0.000 -6.266) 12.758 5.189 ( -15.496 0.000 6.821) 16.931 5.426 ( 0.893 0.000 -10.145) 10.185 5.680 ( -13.942 0.000 2.670) 14.195 6.014 ( 0.314 0.000 -5.257) 5.267 6.215 ( -0.205 0.000 16.177) 16.178 6.345 ( 0.537 0.000 4.816) 4.846 6.620 ( 9.429 0.000 7.722) 12.187 6.683 ( 9.521 0.000 16.432) 18.991 7.240 ( -13.929 0.000 4.516) 14.643 7.617 ( 4.990 0.000 -1.312) 5.160 7.685 ( 11.658 0.000 8.223) 14.266 8.047 ( 8.204 0.000 16.813) 18.708 8.290 ( 2.485 0.000 -14.767) 14.975 8.331 ( 5.807 0.000 -1.268) 5.944 8.429 ( -1.003 0.000 -0.315) 1.051 8.902 ( 1.912 0.000 -7.862) 8.091 9.243 ( -0.707 0.000 11.371) 11.393 9.280 ( 8.055 0.000 4.429) 9.193 9.760 ( 9.545 0.000 1.240) 9.625 9.780 ( -20.876 0.000 -7.059) 22.037 10.176 ( -3.669 0.000 1.580) 3.995 10.515 ( 8.033 0.000 0.713) 8.065 10.775 ( -2.760 0.000 2.732) 3.884 10.792 ( -1.269 0.000 -4.873) 5.035 10.914 ( -3.974 0.000 -0.393) 3.993 11.251 ( -5.264 0.000 -0.185) 5.268 11.357 ( 1.198 0.000 -1.922) 2.265 11.508 ( -5.641 0.000 -5.291) 7.734 11.684 ( 4.476 0.000 -2.571) 5.161 11.792 ( -4.792 0.000 -7.168) 8.622 11.953 ( -8.156 0.000 -5.870) 10.049 12.361 ( 6.064 0.000 -2.854) 6.702 12.779 ( -3.107 0.000 12.162) 12.553 12.892 ( -10.977 0.000 3.441) 11.503 13.145 ( 2.023 0.000 -1.295) 2.402 13.593 ( 10.760 0.000 -1.710) 10.895 13.947 ( 3.545 0.000 6.315) 7.242 14.128 ( 4.351 0.000 -0.101) 4.352 14.175 ( -8.046 0.000 8.309) 11.567 14.297 ( -8.144 0.000 5.212) 9.669 14.858 ( -2.219 0.000 -4.455) 4.977 14.917 ( -1.601 0.000 -0.050) 1.601 15.807 ( 9.979 0.000 4.252) 10.847 16.534 ( 4.679 0.000 -5.738) 7.404 17.495 ( 5.459 0.000 -6.640) 8.596 17.739 ( 0.152 0.000 -1.760) 1.766 17.962 ( 42.846 0.000 -9.106) 43.803 18.095 ( 4.688 0.000 -0.338) 4.700 18.754 ( -6.319 0.000 5.902) 8.646 19.374 ( 8.367 0.000 2.393) 8.703 20.085 ( 4.214 0.000 26.478) 26.812 20.587 ( -3.281 0.000 0.132) 3.283 21.266 ( 3.067 0.000 0.631) 3.131 22.402 ( -96.949 0.000 -83.959) 128.250 24.625 ( 60.021 0.000 57.089) 82.835 25.662 ( -4.473 0.000 -9.771) 10.746 25.811 ( 2.161 0.000 5.167) 5.601 27.910 ( -2.447 0.000 6.401) 6.853 28.487 ( 0.791 0.000 2.075) 2.220 ======================= Grid point 87 (35/128) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -6.349 18.708 14.337) 24.410 0.944 ( 8.524 15.261 28.535) 33.464 1.419 ( 6.351 48.280 18.017) 51.922 1.786 ( -0.123 32.053 2.934) 32.187 2.043 ( 3.082 20.555 0.131) 20.785 2.325 ( 3.050 3.542 -15.727) 16.407 2.550 ( -0.082 20.616 -0.220) 20.617 2.813 ( -0.729 1.962 -1.558) 2.609 3.179 ( -8.090 5.058 -21.499) 23.521 3.329 ( -0.652 -0.722 -5.161) 5.252 3.610 ( 3.327 -1.919 -3.852) 5.439 3.668 ( 7.855 7.403 -0.554) 10.808 3.924 ( -0.975 3.807 1.987) 4.404 4.109 ( 9.125 1.814 -4.063) 10.152 4.251 ( 1.740 5.865 -6.809) 9.154 4.426 ( 9.725 0.995 -4.955) 10.960 4.616 ( -2.844 3.640 5.276) 7.013 4.751 ( -16.333 8.579 -0.972) 18.475 4.941 ( -9.569 8.713 -2.979) 13.280 5.147 ( 1.079 -0.613 -6.906) 7.016 5.517 ( 3.822 2.327 3.323) 5.574 5.608 ( -1.091 9.728 -9.951) 13.958 5.941 ( -3.984 -5.556 -4.954) 8.443 6.054 ( -2.622 -9.381 16.412) 19.085 6.326 ( 3.443 -5.443 8.506) 10.669 6.521 ( -1.223 -8.159 9.318) 12.446 6.748 ( 0.166 5.199 4.613) 6.953 7.056 ( -2.326 -7.441 1.147) 7.880 7.653 ( 3.012 -6.268 -3.477) 7.775 7.766 ( -3.590 -6.298 -0.702) 7.283 8.109 ( -0.621 2.946 -4.383) 5.317 8.445 ( 4.205 -3.543 1.278) 5.645 8.523 ( 5.290 4.684 -5.253) 8.805 8.720 ( -10.961 6.958 3.135) 13.357 8.839 ( 0.254 -2.637 -8.019) 8.446 9.343 ( 3.218 4.905 5.237) 7.864 9.462 ( -1.507 6.361 -0.634) 6.568 9.577 ( 12.574 -5.183 9.992) 16.876 9.809 ( -1.074 -9.753 0.066) 9.812 10.344 ( 11.769 6.356 0.369) 13.380 10.534 ( -5.511 -7.310 -0.329) 9.160 10.729 ( -4.308 -3.790 -1.959) 6.063 10.802 ( 3.869 3.831 -2.656) 6.058 10.910 ( 0.119 9.978 -0.767) 10.008 11.189 ( 9.769 2.110 -1.082) 10.052 11.370 ( -11.977 19.510 -10.973) 25.387 11.596 ( -3.157 -2.974 -9.243) 10.210 11.623 ( 6.737 1.343 1.878) 7.122 11.822 ( -5.369 5.465 -3.022) 8.236 11.944 ( 0.390 8.679 1.743) 8.861 12.428 ( 8.043 -5.409 1.499) 9.808 12.585 ( -6.962 -4.895 -1.972) 8.736 12.778 ( -6.762 4.472 12.164) 14.618 13.201 ( 0.508 -3.281 2.438) 4.119 13.479 ( -0.165 -16.562 12.051) 20.484 13.780 ( -1.350 -10.080 8.560) 13.293 14.010 ( -5.702 -6.480 5.227) 10.091 14.159 ( 1.917 -5.329 -1.110) 5.771 14.324 ( 7.847 1.942 -0.732) 8.117 14.761 ( -9.839 -7.017 3.476) 12.575 15.018 ( -0.205 15.331 -0.008) 15.333 16.071 ( -0.129 31.075 -15.552) 34.749 16.827 ( 1.876 13.430 -3.780) 14.078 17.130 ( -23.975 -11.207 19.775) 33.037 17.640 ( 7.743 1.319 -9.045) 11.979 18.145 ( 4.664 1.057 -2.038) 5.198 18.576 ( -7.438 6.081 -5.485) 11.063 18.665 ( -5.210 9.365 -10.841) 15.244 19.390 ( -9.174 -0.597 4.346) 10.169 19.818 ( -7.926 4.863 1.581) 9.433 20.518 ( -0.164 -3.435 -0.071) 3.440 21.214 ( -1.539 -6.501 0.365) 6.691 21.981 ( -41.189 93.309 -70.814) 124.169 25.469 ( -4.395 -8.982 -10.578) 14.556 25.850 ( 4.875 -2.452 5.242) 7.567 26.391 ( 78.053 -38.541 33.576) 93.301 27.829 ( -1.662 0.865 0.730) 2.011 28.483 ( 0.691 -2.525 2.830) 3.855 ======================= Grid point 88 (36/128) ======================= q-point: ( 0.10 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 15.747 19.708 -4.363) 25.601 1.274 ( 15.241 28.506 12.345) 34.602 1.758 ( 5.179 34.507 -0.197) 34.894 1.849 ( 24.063 27.058 27.143) 45.254 2.102 ( 2.906 17.912 3.453) 18.472 2.397 ( 4.703 6.459 -12.531) 14.861 2.548 ( 0.162 14.557 -1.581) 14.643 2.818 ( 0.386 2.418 -3.164) 4.001 2.948 ( -12.122 9.011 -17.314) 22.977 3.266 ( -5.016 -4.637 -2.129) 7.155 3.650 ( -5.240 2.463 -2.569) 6.334 3.709 ( 2.009 2.653 -4.185) 5.346 3.829 ( -8.472 6.881 1.278) 10.989 4.216 ( 1.852 7.793 1.488) 8.147 4.368 ( -6.008 8.943 -7.627) 13.199 4.418 ( 0.406 0.473 -3.091) 3.153 4.527 ( -0.033 1.857 3.106) 3.619 4.545 ( -1.947 6.863 -2.508) 7.562 4.955 ( 7.567 2.556 -0.450) 8.000 5.089 ( 0.819 8.221 -9.341) 12.470 5.624 ( 2.821 1.336 -7.604) 8.220 5.697 ( 8.764 0.962 1.102) 8.885 5.878 ( -2.267 -6.620 6.658) 9.659 6.028 ( -1.538 -5.480 8.324) 10.084 6.380 ( 0.421 -6.418 6.066) 8.841 6.481 ( -3.120 -8.130 7.620) 11.572 6.698 ( -3.705 5.550 4.568) 8.087 7.135 ( 8.769 -6.213 -0.886) 10.784 7.655 ( -6.164 -0.785 -2.132) 6.570 7.700 ( 1.089 -1.864 1.235) 2.487 8.037 ( -5.611 17.500 1.194) 18.416 8.340 ( -12.066 4.847 5.074) 13.958 8.511 ( 3.780 -2.236 2.398) 5.003 8.699 ( 3.877 8.079 -5.695) 10.618 8.784 ( -5.221 -8.378 -3.094) 10.345 9.266 ( -6.065 6.375 5.309) 10.276 9.408 ( -3.359 4.794 1.687) 6.092 9.629 ( -4.099 -8.968 0.495) 9.873 10.108 ( 17.209 -11.014 5.019) 21.040 10.316 ( -8.142 3.836 0.152) 9.002 10.524 ( 1.852 -2.973 3.740) 5.124 10.657 ( -3.535 1.051 -3.522) 5.099 10.864 ( 3.014 1.328 1.449) 3.598 10.978 ( 5.433 16.025 -4.132) 17.418 11.181 ( 0.900 -0.692 0.607) 1.287 11.427 ( 4.782 5.133 -11.382) 13.371 11.509 ( -4.344 -3.809 -11.452) 12.827 11.685 ( -2.445 7.495 -10.848) 13.410 11.766 ( 2.803 6.845 5.448) 9.187 11.934 ( -1.895 2.254 0.194) 2.951 12.427 ( -6.353 -4.345 -4.233) 8.784 12.599 ( -2.216 -0.605 1.954) 3.016 12.841 ( 17.671 -4.022 0.312) 18.125 13.194 ( -0.939 -8.805 9.442) 12.945 13.428 ( -6.609 -11.871 11.021) 17.495 13.751 ( -1.386 -9.801 10.040) 14.099 13.910 ( -4.991 -5.975 0.256) 7.790 14.177 ( 0.166 -4.585 0.888) 4.673 14.447 ( -0.740 -3.528 6.875) 7.763 14.699 ( 7.750 -2.935 -5.725) 10.072 15.069 ( 6.650 16.663 -0.364) 17.945 15.791 ( -22.536 62.593 -12.272) 67.648 16.760 ( -6.504 -5.733 5.618) 10.331 16.891 ( 3.535 16.328 -1.875) 16.811 17.757 ( 3.589 2.320 -2.780) 5.098 18.116 ( -8.540 9.263 -1.703) 12.714 18.243 ( -8.450 27.199 -11.545) 30.733 18.518 ( -3.960 -1.523 2.548) 4.949 19.175 ( -11.769 -5.224 4.966) 13.801 19.963 ( 5.353 2.591 9.599) 11.292 20.541 ( 2.521 -3.720 -0.556) 4.528 21.192 ( 0.360 -6.130 1.055) 6.231 21.806 ( 16.125 52.288 -29.000) 61.928 25.374 ( -3.536 -9.289 -9.860) 14.000 25.924 ( 2.851 -1.060 2.582) 3.990 26.773 ( -24.611 -24.847 0.806) 34.982 28.077 ( 16.193 -15.398 10.524) 24.699 28.498 ( 0.622 -2.381 2.923) 3.821 ======================= Grid point 89 (37/128) ======================= q-point: ( 0.20 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 28.545 10.257 -17.348) 34.943 1.548 ( 11.904 35.657 3.885) 37.792 1.791 ( 3.923 31.780 -4.019) 32.273 2.156 ( 2.685 17.905 2.568) 18.286 2.421 ( 3.463 11.392 -4.179) 12.619 2.465 ( 22.791 10.055 16.209) 29.720 2.553 ( 0.742 1.657 -8.088) 8.289 2.670 ( -7.005 19.979 -7.705) 22.530 2.898 ( 3.809 2.559 -2.265) 5.118 3.137 ( -8.747 -6.901 -1.309) 11.218 3.443 ( -11.810 9.657 -4.116) 15.801 3.590 ( -14.787 3.450 -4.742) 15.907 3.751 ( -1.864 4.507 -3.301) 5.889 4.058 ( -12.971 6.962 8.492) 16.994 4.272 ( 2.360 3.645 -3.338) 5.477 4.395 ( -7.599 1.048 18.962) 20.454 4.618 ( 7.442 7.184 -15.318) 18.483 4.631 ( 6.465 0.278 -4.732) 8.017 5.093 ( 11.326 -0.682 -16.116) 19.709 5.268 ( 11.897 6.088 4.915) 14.239 5.668 ( 2.175 -2.907 -3.156) 4.811 5.754 ( -3.133 1.646 9.165) 9.824 5.885 ( 1.938 -1.570 3.792) 4.539 6.008 ( -0.964 -2.075 2.753) 3.579 6.338 ( -3.139 -8.015 1.665) 8.768 6.456 ( -0.677 -2.816 6.166) 6.812 6.654 ( -1.264 7.709 4.604) 9.068 7.308 ( 7.658 -5.014 -1.011) 9.209 7.590 ( 0.585 6.308 -2.273) 6.730 7.707 ( -0.179 5.129 3.859) 6.421 7.983 ( 0.992 23.553 3.310) 23.805 8.206 ( -4.628 -9.509 5.037) 11.714 8.560 ( -8.543 0.698 -3.055) 9.099 8.639 ( 4.672 -7.153 2.463) 8.892 8.810 ( 4.248 6.007 -6.793) 10.013 9.160 ( -5.524 8.726 5.366) 11.639 9.323 ( -5.106 -0.375 2.047) 5.514 9.543 ( -4.420 -5.888 1.512) 7.516 10.254 ( -2.956 -6.985 -5.164) 9.176 10.278 ( 4.039 2.840 -1.304) 5.107 10.544 ( 1.173 -0.204 6.074) 6.189 10.577 ( -4.260 0.146 2.458) 4.920 10.960 ( 4.751 0.990 -0.000) 4.853 11.052 ( 4.696 7.632 1.354) 9.062 11.263 ( 4.454 2.645 -0.053) 5.181 11.366 ( -7.518 -6.519 -5.106) 11.184 11.470 ( 0.993 1.484 -11.441) 11.580 11.653 ( 0.386 7.729 -6.783) 10.290 11.827 ( 1.007 8.551 1.729) 8.782 11.907 ( 1.959 0.679 -8.381) 8.634 12.339 ( -1.698 -3.658 -4.737) 6.221 12.487 ( -7.779 4.200 0.226) 8.844 13.131 ( 6.912 -5.011 -0.454) 8.549 13.206 ( 1.637 -12.439 8.924) 15.397 13.288 ( -4.837 -2.111 4.896) 7.199 13.749 ( -1.271 -10.291 9.855) 14.305 13.821 ( -3.075 -4.926 -4.213) 7.174 14.170 ( -0.801 -5.011 2.648) 5.724 14.497 ( 8.278 1.847 3.208) 9.068 14.815 ( 2.475 -3.881 -4.634) 6.532 15.294 ( 14.056 11.984 -3.090) 18.727 15.479 ( -7.783 55.868 -5.934) 56.719 16.703 ( -3.051 4.847 -0.575) 5.756 17.036 ( 11.919 3.665 -4.003) 13.096 17.749 ( -3.578 3.828 6.438) 8.300 17.996 ( -3.497 12.216 0.077) 12.707 18.171 ( -2.793 11.962 -2.182) 12.476 18.507 ( 3.242 -2.340 -7.673) 8.653 18.890 ( -18.036 -3.217 7.679) 19.865 19.952 ( -5.647 7.375 13.216) 16.154 20.609 ( 4.068 -4.527 0.043) 6.087 21.172 ( -2.806 -7.340 1.206) 7.951 22.266 ( 28.681 26.019 -11.907) 40.514 25.331 ( -0.106 -9.233 -6.968) 11.568 25.948 ( -4.002 -3.599 -0.980) 5.470 26.147 ( -30.327 -4.077 -4.808) 30.976 28.227 ( 0.449 -10.285 12.650) 16.309 28.506 ( -0.270 -1.788 2.364) 2.976 ======================= Grid point 90 (38/128) ======================= q-point: ( 0.30 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 14.071 33.354 -3.502) 36.370 1.749 ( 16.788 23.231 -14.748) 32.234 1.929 ( 8.093 12.218 -11.180) 18.433 2.201 ( 1.532 16.701 -1.337) 16.824 2.283 ( -5.176 6.568 -7.739) 11.394 2.563 ( 1.064 10.270 -6.214) 12.050 2.594 ( -0.279 15.820 -3.585) 16.223 2.877 ( 2.076 3.071 -0.351) 3.724 2.915 ( -9.823 -2.259 1.221) 10.153 3.135 ( 21.935 8.499 7.419) 24.666 3.252 ( -9.403 7.240 -4.517) 12.697 3.283 ( -12.323 3.824 -8.191) 15.283 3.629 ( -7.658 8.492 -2.512) 11.708 3.940 ( -2.653 3.864 13.547) 14.335 4.148 ( -11.735 1.068 10.574) 15.832 4.396 ( 2.978 3.772 6.812) 8.337 4.678 ( 0.235 -0.412 -6.193) 6.211 4.776 ( 8.280 2.483 -16.945) 19.022 5.302 ( 7.707 -4.209 -7.583) 11.603 5.436 ( 5.355 2.819 9.769) 11.491 5.684 ( -2.869 1.556 8.043) 8.680 5.722 ( 4.183 -1.805 -2.183) 5.051 5.882 ( -3.009 0.689 -0.775) 3.182 6.013 ( 1.495 -2.006 3.769) 4.523 6.318 ( 0.852 -6.917 0.763) 7.011 6.448 ( -0.392 1.095 4.521) 4.668 6.663 ( 2.313 14.416 3.171) 14.941 7.380 ( -0.841 -2.102 0.267) 2.279 7.626 ( 2.434 6.944 -1.356) 7.482 7.750 ( 4.715 8.982 1.502) 10.255 8.048 ( 2.156 10.838 4.703) 12.010 8.147 ( 0.230 -3.273 2.122) 3.908 8.353 ( -10.276 -1.944 -4.721) 11.475 8.783 ( 7.708 -7.957 3.460) 11.606 8.870 ( 1.665 13.281 -5.185) 14.355 9.083 ( -1.602 6.840 6.195) 9.367 9.234 ( -4.250 -5.511 2.265) 7.318 9.471 ( -3.665 -1.910 3.253) 5.259 10.115 ( -7.784 -4.276 -12.293) 15.166 10.381 ( 5.007 -2.811 -1.837) 6.029 10.488 ( -5.089 2.269 10.903) 12.244 10.586 ( 3.142 -0.293 -3.690) 4.856 10.945 ( -4.122 5.990 2.221) 7.603 11.187 ( -0.404 -7.925 -0.776) 7.974 11.253 ( 3.353 0.871 -0.091) 3.466 11.311 ( 0.614 7.163 -5.235) 8.894 11.463 ( -1.446 3.383 -2.819) 4.635 11.692 ( 3.838 -0.136 -3.884) 5.462 11.834 ( 0.683 2.628 3.582) 4.495 11.998 ( 7.390 10.558 -12.409) 17.891 12.307 ( -8.184 2.223 -4.915) 9.802 12.362 ( 1.630 -1.036 -6.299) 6.588 13.070 ( -6.117 -5.780 2.292) 8.723 13.267 ( 3.251 -6.584 3.819) 8.276 13.324 ( 2.503 -4.210 4.423) 6.599 13.673 ( -5.253 -4.638 -0.544) 7.029 13.812 ( 0.521 -6.425 3.929) 7.549 14.180 ( 2.075 -5.071 0.783) 5.535 14.722 ( 11.023 -4.988 -0.867) 12.130 14.850 ( 4.967 6.488 -1.065) 8.240 15.358 ( -1.752 32.058 -6.512) 32.760 15.584 ( 11.488 20.662 0.395) 23.644 16.603 ( -7.384 9.783 1.463) 12.344 17.319 ( 16.804 -4.126 -3.636) 17.681 17.674 ( -4.189 3.695 7.020) 8.971 17.940 ( -3.406 7.067 6.217) 10.010 18.102 ( -3.520 14.050 0.186) 14.486 18.518 ( -17.987 -0.757 7.892) 19.657 18.622 ( 5.879 -2.039 -11.250) 12.856 19.814 ( -9.175 7.692 13.134) 17.773 20.678 ( 2.742 -4.356 0.445) 5.167 21.104 ( -3.681 -7.827 -0.327) 8.656 22.774 ( 23.388 14.982 -1.321) 27.807 25.353 ( 2.442 -8.342 -3.526) 9.380 25.466 ( -27.285 0.318 -10.884) 29.378 26.026 ( 1.299 -1.158 -0.567) 1.830 28.180 ( -5.380 -5.581 8.624) 11.596 28.487 ( -1.798 -1.019 1.412) 2.502 ======================= Grid point 91 (39/128) ======================= q-point: ( 0.40 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 4.634 55.413 -1.903) 55.639 1.953 ( -0.440 3.026 -12.627) 12.992 2.132 ( 15.007 12.357 -11.928) 22.807 2.250 ( 4.741 9.570 -3.803) 11.337 2.325 ( 7.286 7.966 -6.779) 12.748 2.564 ( 0.060 4.479 -7.630) 8.848 2.597 ( 1.210 19.626 -5.463) 20.408 2.671 ( -10.375 7.504 -9.709) 16.069 2.871 ( -4.654 0.225 0.512) 4.688 3.022 ( -7.630 5.420 -9.814) 13.561 3.140 ( -4.667 1.987 1.299) 5.236 3.452 ( -0.373 5.623 1.624) 5.865 3.617 ( 9.141 3.730 4.323) 10.778 3.941 ( -4.066 4.939 8.311) 10.488 3.949 ( -0.834 8.102 14.535) 16.662 4.455 ( 2.883 0.990 4.810) 5.695 4.612 ( -7.208 -0.394 -2.298) 7.576 4.842 ( -0.780 0.635 -17.817) 17.846 5.384 ( 4.434 -3.883 4.426) 7.370 5.493 ( -0.165 2.015 2.717) 3.387 5.704 ( 2.849 -3.243 7.087) 8.298 5.804 ( 1.262 0.099 -5.864) 5.999 5.816 ( 0.026 1.457 1.351) 1.987 6.032 ( -0.222 -1.831 5.321) 5.632 6.347 ( 1.313 -4.348 2.676) 5.272 6.458 ( 1.159 -3.755 3.077) 4.991 6.758 ( 6.879 24.836 0.800) 25.784 7.292 ( -6.864 3.533 1.068) 7.793 7.684 ( 3.421 8.555 -0.505) 9.227 7.826 ( 0.977 2.506 2.710) 3.818 8.020 ( -1.732 -13.057 3.065) 13.524 8.171 ( -6.451 -1.625 0.788) 6.699 8.268 ( 7.879 21.601 -7.551) 24.201 8.827 ( -3.671 16.145 1.213) 16.601 8.936 ( 5.881 -4.499 2.179) 7.718 9.110 ( 0.861 -3.650 2.969) 4.783 9.180 ( -0.010 -4.376 4.577) 6.333 9.385 ( -6.001 1.965 3.573) 7.255 10.006 ( -1.117 -3.961 -13.545) 14.156 10.399 ( -4.434 3.404 6.184) 8.336 10.434 ( 0.467 -5.850 -0.041) 5.869 10.680 ( 6.421 -0.701 -4.231) 7.722 10.870 ( -2.858 4.800 3.352) 6.515 11.104 ( -4.031 -8.046 -0.335) 9.005 11.311 ( -0.486 5.745 -2.837) 6.425 11.321 ( -0.248 0.650 -2.060) 2.175 11.479 ( 4.866 6.825 -3.271) 8.998 11.748 ( 0.476 4.263 2.753) 5.098 11.845 ( 0.303 -1.117 1.404) 1.819 12.089 ( -7.908 5.801 2.818) 10.205 12.191 ( 8.361 9.799 -22.641) 26.049 12.429 ( 4.669 -4.168 -7.358) 9.660 12.978 ( -3.519 -6.692 -2.756) 8.047 13.304 ( -0.350 -4.319 4.266) 6.081 13.349 ( 0.446 -9.412 2.655) 9.790 13.590 ( -2.804 -0.325 0.548) 2.875 13.836 ( 1.691 -4.939 6.724) 8.512 14.240 ( 3.716 -4.574 -0.661) 5.930 14.805 ( 2.123 -7.704 -3.293) 8.643 15.074 ( 12.811 11.702 0.944) 17.377 15.319 ( -2.390 25.235 -4.109) 25.679 15.779 ( 8.778 18.837 -0.160) 20.782 16.436 ( -9.350 12.261 2.511) 15.623 17.586 ( 3.166 2.310 3.648) 5.354 17.647 ( 6.853 -3.835 3.429) 8.570 17.853 ( -5.600 2.954 7.367) 9.713 18.068 ( -3.097 14.867 5.714) 16.225 18.186 ( -11.587 2.406 0.955) 11.872 18.751 ( 6.905 -2.739 -10.693) 13.020 19.648 ( -8.487 8.044 13.101) 17.561 20.705 ( 0.128 -3.193 -0.071) 3.196 21.051 ( -1.546 -9.875 -0.956) 10.041 23.120 ( 11.946 11.031 2.514) 16.453 25.057 ( -13.171 4.393 -11.169) 17.819 25.416 ( 3.526 -7.566 0.009) 8.347 26.052 ( 1.100 -2.607 -1.455) 3.182 28.063 ( -6.649 -3.075 3.528) 8.131 28.447 ( -2.127 -0.582 0.339) 2.231 ======================= Grid point 92 (40/128) ======================= q-point: (-0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 2.064 59.903 -2.427) 59.988 1.975 ( 3.446 5.099 -8.114) 10.184 2.190 ( -4.355 11.414 -3.240) 12.639 2.304 ( -1.643 3.082 -1.944) 3.997 2.422 ( -4.299 5.979 -11.366) 13.543 2.566 ( 3.702 11.502 -19.646) 23.064 2.592 ( 2.253 10.727 -13.156) 17.124 2.648 ( 7.189 11.186 -13.613) 19.029 2.799 ( -0.432 3.539 -0.537) 3.605 2.946 ( -0.072 2.470 -0.928) 2.640 3.093 ( -1.258 -0.330 6.336) 6.468 3.411 ( -0.626 5.483 6.924) 8.854 3.659 ( -3.376 1.818 3.028) 4.886 3.826 ( -3.349 4.721 11.792) 13.136 4.133 ( 9.190 12.158 2.916) 15.517 4.366 ( -16.318 -0.603 0.746) 16.346 4.551 ( 4.370 -1.920 3.880) 6.152 4.765 ( -3.202 2.823 -15.803) 16.369 5.468 ( -0.844 -3.314 7.513) 8.255 5.519 ( 6.893 -2.974 -6.664) 10.038 5.714 ( -2.704 -2.561 6.626) 7.601 5.784 ( -0.849 -2.992 1.405) 3.413 5.856 ( 1.959 6.402 2.900) 7.296 6.063 ( 3.676 1.035 2.864) 4.773 6.355 ( -0.889 -3.570 4.387) 5.725 6.496 ( 2.305 -7.652 3.323) 8.655 6.839 ( -1.950 29.812 -1.158) 29.898 7.207 ( 0.729 4.769 1.497) 5.051 7.745 ( 2.761 6.231 0.027) 6.816 7.786 ( -3.540 -7.864 3.488) 9.303 7.974 ( -4.912 -4.602 -2.848) 7.309 8.123 ( 2.058 -3.739 3.415) 5.467 8.429 ( 9.048 26.132 -8.197) 28.843 8.751 ( -4.463 22.040 4.219) 22.880 8.945 ( -5.111 -5.933 0.275) 7.836 9.125 ( 0.176 -7.469 5.009) 8.995 9.193 ( -3.256 -3.100 4.209) 6.159 9.297 ( 1.287 -0.367 -0.331) 1.378 10.063 ( 6.952 -2.036 -7.932) 10.742 10.324 ( -3.657 3.895 2.829) 6.046 10.426 ( -0.749 -5.283 -2.186) 5.766 10.787 ( 3.939 0.426 3.865) 5.535 10.872 ( 3.270 -2.197 -0.112) 3.941 11.051 ( -1.193 -7.947 -0.749) 8.071 11.252 ( -3.192 1.346 -2.274) 4.143 11.370 ( 4.716 6.425 -1.106) 8.047 11.561 ( 2.048 6.870 -4.221) 8.319 11.689 ( -6.365 10.567 3.746) 12.892 11.833 ( -4.019 -0.861 -4.970) 6.450 11.930 ( -3.309 3.338 -0.621) 4.741 12.373 ( 9.531 4.980 -15.857) 19.160 12.512 ( 4.173 -3.584 -4.722) 7.250 12.921 ( -2.283 -7.138 -5.985) 9.590 13.283 ( -0.876 -5.501 1.050) 5.668 13.358 ( 0.484 -9.020 2.655) 9.415 13.564 ( -0.947 1.356 5.203) 5.459 13.882 ( 2.202 -3.860 6.853) 8.167 14.306 ( 2.967 -4.125 0.351) 5.094 14.850 ( 2.703 -7.076 -1.628) 7.748 15.220 ( -4.196 -12.402 -3.231) 13.485 15.281 ( 5.016 47.315 -0.287) 47.581 15.862 ( -2.718 16.026 -0.905) 16.280 16.329 ( 0.573 13.553 2.803) 13.852 17.559 ( -3.688 4.751 6.213) 8.647 17.713 ( -1.079 0.411 4.142) 4.299 17.810 ( -10.529 7.443 7.541) 14.937 17.846 ( -2.338 3.623 0.977) 4.421 18.266 ( 11.169 1.714 -1.318) 11.376 18.853 ( 4.340 -2.653 -7.055) 8.697 19.547 ( -2.323 9.585 13.497) 16.717 20.695 ( -0.709 -2.738 -0.915) 2.972 21.041 ( 0.260 -10.650 -0.712) 10.677 23.233 ( 0.380 10.374 2.397) 10.654 24.936 ( 0.274 5.522 -9.485) 10.979 25.481 ( 3.032 -7.243 2.588) 8.268 26.054 ( -1.033 -3.101 -2.267) 3.978 27.951 ( -4.775 -1.768 -0.296) 5.100 28.417 ( -0.807 -0.487 -0.415) 1.030 ======================= Grid point 93 (41/128) ======================= q-point: (-0.40 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -3.842 55.737 -0.623) 55.873 1.948 ( -12.121 9.154 -19.807) 24.960 2.061 ( -6.351 17.500 -1.541) 18.681 2.188 ( -2.025 0.454 -12.538) 12.709 2.355 ( -3.385 6.814 -3.541) 8.392 2.560 ( -0.422 13.515 -9.483) 16.515 2.616 ( -1.487 6.865 -10.353) 12.511 2.785 ( 7.666 10.651 -6.605) 14.692 2.894 ( 9.635 -1.870 -11.402) 15.045 3.028 ( 7.043 0.543 0.898) 7.121 3.079 ( 0.915 0.922 4.224) 4.419 3.492 ( 4.136 4.439 9.325) 11.125 3.561 ( -3.985 8.304 -1.076) 9.273 3.842 ( 2.990 5.338 15.456) 16.623 3.995 ( -19.776 1.852 7.743) 21.319 4.236 ( 2.112 7.909 -0.950) 8.241 4.547 ( -3.917 -2.075 -18.034) 18.570 4.802 ( 5.911 3.078 -1.775) 6.897 5.396 ( -6.776 -6.508 2.870) 9.824 5.618 ( -1.677 -5.976 -3.183) 6.975 5.693 ( 5.198 1.669 1.831) 5.759 5.778 ( 1.458 -2.390 4.580) 5.368 5.943 ( 6.099 8.445 7.150) 12.635 6.139 ( 2.856 1.925 4.757) 5.873 6.320 ( -3.069 -3.121 4.586) 6.340 6.536 ( 1.041 -8.450 5.276) 10.016 6.692 ( -10.391 25.832 -2.033) 27.917 7.293 ( 5.013 4.268 0.784) 6.630 7.737 ( -0.853 -12.132 -1.048) 12.207 7.800 ( 2.734 3.812 3.024) 5.581 7.861 ( -5.757 0.628 -1.646) 6.020 8.186 ( 2.977 -2.588 1.609) 4.260 8.595 ( 8.420 25.706 -7.713) 28.128 8.638 ( -8.038 24.071 6.885) 26.295 8.802 ( -8.604 -3.423 -1.746) 9.423 9.070 ( -1.899 -2.828 0.671) 3.472 9.170 ( 0.146 -5.450 3.223) 6.334 9.386 ( 5.256 -6.830 1.864) 8.817 10.196 ( 5.836 -0.023 -1.022) 5.925 10.260 ( -3.302 0.502 -0.834) 3.443 10.422 ( 0.972 1.119 -4.508) 4.745 10.847 ( 1.619 -1.365 10.052) 10.273 10.946 ( 3.395 -8.210 0.254) 8.887 11.068 ( 2.918 -6.231 -5.741) 8.961 11.216 ( 0.197 1.148 -3.660) 3.841 11.477 ( 1.487 6.099 2.041) 6.601 11.491 ( -6.935 9.000 1.609) 11.475 11.526 ( -6.367 10.576 -4.550) 13.156 11.792 ( 2.181 2.253 -6.969) 7.642 11.939 ( 2.060 0.805 -1.158) 2.497 12.488 ( 2.114 -3.598 -10.485) 11.285 12.572 ( 3.110 0.338 -4.622) 5.582 12.889 ( 0.141 -5.072 -5.606) 7.561 13.308 ( 3.365 -6.352 2.595) 7.643 13.376 ( 0.990 -6.636 3.692) 7.658 13.541 ( -1.930 1.347 5.993) 6.439 13.923 ( 1.454 -3.912 5.278) 6.729 14.344 ( 0.552 -4.537 2.581) 5.249 14.897 ( 1.770 -9.184 0.377) 9.361 15.046 ( -11.675 4.628 -1.105) 12.608 15.390 ( 5.606 31.193 -1.733) 31.740 15.703 ( -10.882 16.058 -2.849) 19.606 16.429 ( 7.035 13.331 3.382) 15.448 17.463 ( -6.720 -0.739 0.812) 6.809 17.562 ( -9.680 8.015 4.198) 13.251 17.745 ( 2.000 1.085 -0.577) 2.347 17.872 ( 2.437 11.725 -0.232) 11.978 18.504 ( 13.008 -4.358 6.204) 15.056 18.902 ( 1.276 -2.417 -3.343) 4.318 19.595 ( 5.883 11.385 13.958) 18.949 20.686 ( -0.199 -3.142 -0.637) 3.212 21.050 ( 0.733 -9.727 -0.931) 9.799 23.187 ( -4.203 11.746 5.281) 13.547 24.983 ( 3.755 5.197 -14.939) 16.257 25.536 ( 2.448 -7.201 4.256) 8.716 26.004 ( -3.876 -3.001 -3.566) 6.062 27.890 ( -1.457 -1.176 -0.953) 2.101 28.418 ( 0.754 -0.679 -0.552) 1.155 ======================= Grid point 94 (42/128) ======================= q-point: (-0.30 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -26.754 6.139 -25.091) 37.189 1.685 ( -11.040 44.338 0.747) 45.698 1.951 ( -4.778 42.700 -2.182) 43.022 2.146 ( -6.270 -1.105 -3.625) 7.327 2.350 ( 5.684 3.310 -16.371) 17.643 2.505 ( -4.736 1.544 -11.234) 12.289 2.560 ( -2.515 18.707 -1.510) 18.936 2.931 ( 5.134 2.677 3.172) 6.602 3.062 ( 8.330 -2.289 -10.303) 13.445 3.156 ( 4.091 -2.320 -1.927) 5.083 3.190 ( -0.304 8.361 -2.313) 8.681 3.240 ( -8.876 7.995 6.225) 13.471 3.685 ( 5.669 5.031 4.421) 8.774 3.791 ( 1.973 3.735 10.315) 11.147 3.960 ( 5.876 6.859 10.356) 13.741 4.242 ( -1.029 2.849 -4.352) 5.302 4.472 ( -0.181 2.593 -22.679) 22.828 4.870 ( 0.541 2.878 1.632) 3.353 5.255 ( -6.778 -7.020 0.972) 9.806 5.532 ( -6.116 -3.510 1.538) 7.217 5.807 ( 4.755 -0.364 -2.556) 5.410 5.847 ( 4.187 -1.229 0.552) 4.398 6.061 ( 1.769 6.058 10.114) 11.921 6.168 ( 1.678 3.649 10.270) 11.028 6.260 ( -2.556 1.151 6.030) 6.650 6.497 ( -7.012 17.939 -3.636) 19.601 6.545 ( -2.004 -8.026 6.972) 10.819 7.348 ( 0.601 -3.307 -0.129) 3.364 7.709 ( -3.685 -7.583 -6.930) 10.914 7.786 ( -0.744 -1.744 2.269) 2.957 7.878 ( 4.820 2.751 6.839) 8.808 8.177 ( -5.109 9.616 1.786) 11.034 8.525 ( -1.559 12.834 3.809) 13.478 8.594 ( -7.761 -2.528 -4.211) 9.184 8.778 ( 6.808 20.936 -5.937) 22.801 9.103 ( 3.909 0.405 3.062) 4.982 9.179 ( 0.890 -3.213 -0.104) 3.335 9.480 ( 4.511 -7.683 2.947) 9.384 10.190 ( -3.928 -3.579 -3.794) 6.529 10.268 ( 1.824 2.567 0.383) 3.172 10.445 ( 1.183 6.978 -2.340) 7.454 10.838 ( -3.484 -8.063 7.844) 11.776 10.996 ( 1.815 -3.255 2.020) 4.239 11.120 ( -3.976 4.431 -8.691) 10.534 11.159 ( -3.725 -4.978 -2.107) 6.565 11.362 ( 2.626 4.456 -3.374) 6.175 11.435 ( -1.895 4.562 -3.664) 6.150 11.580 ( 3.731 8.314 4.733) 10.269 11.859 ( 4.626 3.476 -6.157) 8.449 11.992 ( 3.510 -0.266 -1.573) 3.855 12.421 ( -6.721 -6.325 -8.218) 12.357 12.644 ( 4.244 0.395 -3.026) 5.227 12.929 ( 3.934 -3.004 -1.441) 5.156 13.356 ( -2.958 -2.138 8.614) 9.355 13.380 ( 0.149 -3.727 6.152) 7.194 13.556 ( 5.398 -4.158 0.776) 6.858 13.949 ( 1.185 -5.043 2.878) 5.926 14.323 ( -3.191 -5.681 5.009) 8.218 14.760 ( -14.514 -4.288 1.169) 15.179 14.953 ( 1.074 0.916 1.305) 1.922 15.463 ( -7.107 28.936 -3.486) 29.999 15.534 ( 3.451 16.369 -1.627) 16.808 16.569 ( 7.397 16.211 1.698) 17.900 17.309 ( -6.593 -5.211 -5.438) 10.010 17.486 ( 0.080 9.434 -1.284) 9.521 17.741 ( -2.284 -2.225 2.187) 3.866 17.974 ( 7.901 14.653 -3.947) 17.109 18.776 ( 14.143 -6.282 9.287) 18.048 18.900 ( -0.810 -2.053 0.573) 2.280 19.775 ( 10.904 12.695 16.723) 23.659 20.675 ( -1.397 -3.511 0.389) 3.799 21.071 ( 1.773 -8.640 -1.311) 8.917 23.130 ( -1.171 15.873 14.152) 21.298 24.984 ( -3.491 4.795 -31.775) 32.323 25.587 ( 2.539 -6.849 4.721) 8.698 25.906 ( -5.640 -3.202 -5.132) 8.271 27.888 ( 0.816 -0.780 2.103) 2.387 28.438 ( 1.155 -1.092 -0.006) 1.589 ======================= Grid point 95 (43/128) ======================= q-point: (-0.20 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -29.202 11.726 -25.330) 40.396 1.447 ( -13.436 36.777 4.974) 39.469 1.865 ( -4.801 49.379 1.678) 49.640 2.014 ( -4.818 5.196 -0.007) 7.086 2.244 ( -25.644 7.810 2.262) 26.903 2.395 ( -4.115 0.153 -17.109) 17.598 2.541 ( 1.635 19.100 -0.187) 19.170 2.917 ( -1.101 2.547 -4.738) 5.491 2.973 ( 3.123 5.930 -2.438) 7.132 3.242 ( 7.376 6.477 1.895) 9.998 3.276 ( 7.807 0.775 -12.746) 14.967 3.451 ( 10.765 -3.055 -4.011) 11.887 3.779 ( 4.865 8.013 2.754) 9.770 3.903 ( 5.198 -0.193 8.756) 10.184 4.066 ( 5.337 0.930 0.690) 5.461 4.218 ( -0.005 4.288 -4.518) 6.229 4.525 ( 5.841 7.493 -13.359) 16.393 4.866 ( 1.124 3.904 1.390) 4.294 5.157 ( -3.835 -6.411 -2.720) 7.950 5.377 ( -10.319 -3.193 3.554) 11.371 5.826 ( -6.500 12.614 -1.476) 14.267 5.868 ( -1.902 -1.359 -6.152) 6.581 5.983 ( -4.029 -1.462 7.025) 8.229 6.200 ( -1.580 1.758 12.875) 13.090 6.293 ( 0.216 -3.669 2.994) 4.741 6.439 ( 4.098 11.485 9.423) 15.411 6.533 ( 1.329 -5.709 4.699) 7.512 7.314 ( -4.523 -8.723 0.840) 9.862 7.626 ( -3.184 -1.207 -5.447) 6.424 7.772 ( -1.059 -6.339 2.223) 6.800 7.954 ( 0.941 9.828 5.047) 11.088 8.133 ( 4.578 10.375 5.922) 12.793 8.435 ( -5.455 -2.828 -2.318) 6.567 8.607 ( 6.296 7.997 -2.595) 10.504 8.861 ( 0.957 7.945 -6.057) 10.036 9.171 ( 2.819 -2.200 6.848) 7.725 9.229 ( 4.117 5.652 -2.020) 7.279 9.586 ( 6.954 -3.080 2.433) 7.985 10.075 ( -8.684 -5.413 -6.680) 12.220 10.268 ( -1.703 5.412 0.477) 5.693 10.475 ( 2.476 8.220 1.590) 8.730 10.772 ( -2.352 -6.991 4.373) 8.574 10.891 ( -9.855 2.679 -2.536) 10.523 11.034 ( -0.953 3.430 -0.559) 3.604 11.140 ( -2.982 -9.200 -5.612) 11.182 11.397 ( 1.977 5.270 -4.059) 6.940 11.505 ( 6.806 -2.364 -2.398) 7.593 11.645 ( 2.650 8.263 2.425) 9.010 11.931 ( 2.607 6.898 -6.294) 9.695 12.048 ( 0.476 -3.923 -2.470) 4.660 12.282 ( -4.485 -3.083 -7.103) 8.948 12.716 ( 2.496 -3.178 3.270) 5.198 13.007 ( 2.863 -0.062 2.210) 3.618 13.236 ( -7.807 3.122 10.728) 13.630 13.393 ( 0.766 -5.801 0.937) 5.926 13.695 ( 6.366 -9.744 5.561) 12.900 13.987 ( 3.069 -5.910 0.295) 6.665 14.237 ( -5.727 -6.046 6.555) 10.599 14.496 ( -12.357 -1.739 2.542) 12.735 14.963 ( -0.510 -2.275 0.739) 2.446 15.255 ( -10.958 19.974 -3.072) 22.989 15.707 ( 11.644 23.686 -1.174) 26.420 16.708 ( 6.320 21.582 -1.419) 22.533 17.273 ( 4.268 -10.672 -4.685) 12.412 17.532 ( 3.913 8.679 -1.333) 9.613 17.697 ( -0.125 -3.580 -2.917) 4.620 18.140 ( 9.572 15.104 -5.527) 18.717 18.831 ( -4.154 -2.436 3.368) 5.877 19.083 ( 13.812 -6.676 6.854) 16.802 20.017 ( 11.516 11.552 21.230) 26.773 20.627 ( -3.501 -3.445 0.640) 4.953 21.119 ( 3.160 -8.357 -0.410) 8.944 23.238 ( 12.664 26.536 21.691) 36.538 24.727 ( -20.468 6.360 -49.558) 53.994 25.641 ( 2.423 -5.575 1.557) 6.275 25.793 ( -5.073 -4.206 -3.965) 7.690 27.909 ( 0.626 -0.396 6.121) 6.165 28.456 ( 0.726 -1.647 0.993) 2.056 ======================= Grid point 96 (44/128) ======================= q-point: (-0.10 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -2.084 22.238 2.373) 22.461 1.195 ( -14.578 29.474 12.072) 35.028 1.633 ( -28.608 28.665 17.075) 43.950 1.800 ( -2.779 32.848 3.748) 33.178 1.996 ( 1.277 21.713 -1.542) 21.805 2.325 ( -1.429 1.032 -18.090) 18.176 2.550 ( -0.013 21.780 0.385) 21.783 2.857 ( -3.547 1.076 -1.002) 3.839 3.181 ( 10.710 -0.925 -17.625) 20.645 3.338 ( 1.444 1.965 -15.186) 15.380 3.426 ( 11.088 12.142 3.822) 16.881 3.580 ( 3.396 -4.142 -4.712) 7.134 3.873 ( 4.782 5.394 1.774) 7.424 3.991 ( 4.066 -1.964 2.508) 5.165 4.212 ( 8.580 -3.352 -1.609) 9.351 4.235 ( 3.163 8.696 -3.824) 10.013 4.606 ( 2.754 6.309 -2.090) 7.194 4.967 ( 6.322 5.608 -7.064) 11.015 5.052 ( -6.365 -0.259 -2.783) 6.951 5.165 ( -11.254 -2.618 5.257) 12.694 5.623 ( -10.985 10.179 -3.999) 15.501 5.726 ( -9.532 8.846 -2.651) 13.271 5.982 ( 0.704 -3.362 -4.552) 5.702 6.137 ( -6.642 -7.433 13.539) 16.813 6.270 ( 0.892 -4.392 5.972) 7.467 6.514 ( 1.002 -7.308 11.873) 13.978 6.661 ( 8.000 4.884 5.770) 11.007 7.181 ( -8.449 -7.027 2.151) 11.198 7.606 ( 1.537 -3.052 -5.002) 6.058 7.788 ( 1.309 -9.281 0.989) 9.424 8.027 ( 8.255 12.716 -2.632) 15.388 8.281 ( 8.384 0.877 10.829) 13.723 8.406 ( 3.464 0.299 0.418) 3.502 8.743 ( 7.206 18.563 -4.551) 20.426 8.828 ( -1.607 -5.459 -6.399) 8.563 9.207 ( 1.202 -3.716 8.280) 9.155 9.331 ( 6.312 6.867 1.698) 9.480 9.707 ( -1.151 0.814 0.460) 1.483 9.864 ( -7.291 -1.668 -6.578) 9.960 10.223 ( -1.407 4.414 3.619) 5.879 10.537 ( 3.199 3.326 1.570) 4.874 10.757 ( -2.091 -2.497 -2.897) 4.359 10.791 ( 1.510 0.182 -0.272) 1.545 10.957 ( -5.344 2.970 -3.509) 7.049 11.085 ( -0.815 -6.467 2.392) 6.943 11.480 ( 6.632 4.155 -3.681) 8.648 11.583 ( -1.418 2.906 -5.162) 6.091 11.651 ( -2.309 3.553 -3.982) 5.814 11.943 ( -1.483 6.128 -4.376) 7.675 11.944 ( -6.600 4.916 -4.488) 9.374 12.312 ( 5.423 -3.818 -2.453) 7.072 12.707 ( -4.219 -5.506 5.368) 8.771 12.950 ( -9.909 4.203 12.060) 16.165 13.170 ( 1.292 1.629 -0.228) 2.092 13.436 ( 3.187 -11.373 3.969) 12.460 13.771 ( 1.317 -12.153 10.246) 15.950 14.060 ( 2.782 -5.690 1.803) 6.585 14.145 ( -3.276 -5.661 3.434) 7.387 14.310 ( -6.246 0.698 1.617) 6.490 14.917 ( -5.175 -5.889 0.427) 7.851 15.076 ( -6.467 17.788 -0.692) 18.940 15.940 ( 11.652 22.913 -6.094) 26.418 16.788 ( 2.714 19.623 -4.562) 20.329 17.376 ( -0.570 -17.134 9.107) 19.412 17.537 ( 0.292 2.637 -0.148) 2.657 17.907 ( 19.939 0.096 -11.381) 22.958 18.361 ( 16.536 16.501 -11.030) 25.834 18.733 ( -6.120 -1.931 5.957) 8.756 19.309 ( 9.160 -6.182 2.789) 11.398 20.139 ( -5.246 2.353 16.607) 17.574 20.555 ( -3.486 -3.389 0.163) 4.865 21.185 ( 3.373 -8.269 1.197) 9.010 23.222 ( -44.745 57.083 -85.823) 112.366 24.657 ( 50.851 3.918 48.955) 70.695 25.618 ( -4.226 -4.741 -10.351) 12.144 25.775 ( 3.334 -3.989 6.096) 8.011 27.902 ( -2.481 -0.301 5.440) 5.986 28.469 ( 0.530 -2.207 2.069) 3.071 ======================= Grid point 97 (45/128) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -0.565 21.508 5.329) 22.166 1.213 ( 6.762 13.876 23.472) 28.093 1.825 ( 1.540 -4.826 10.234) 11.419 2.117 ( 4.198 -8.703 -10.714) 14.427 2.371 ( 3.039 39.515 3.831) 39.817 2.777 ( -1.237 13.508 -3.906) 14.115 2.853 ( -0.690 3.972 -0.897) 4.130 3.134 ( -3.911 33.366 -5.496) 34.041 3.272 ( 0.663 10.654 -10.081) 14.682 3.367 ( -1.368 4.889 -16.429) 17.196 3.564 ( 4.438 -2.170 -1.953) 5.312 3.948 ( 6.397 10.384 5.987) 13.587 4.082 ( -0.519 16.274 -3.237) 16.601 4.194 ( 8.929 13.905 -7.222) 18.034 4.363 ( 4.240 3.860 -3.681) 6.814 4.460 ( 5.690 3.695 -3.898) 7.825 4.704 ( -5.083 5.179 5.416) 9.054 4.834 ( -13.225 2.157 4.484) 14.130 4.999 ( -4.312 -2.012 -1.599) 5.020 5.147 ( 4.668 0.235 -9.752) 10.814 5.532 ( 0.923 -3.376 -1.051) 3.654 5.714 ( -1.285 -6.585 -1.890) 6.970 5.844 ( -7.936 0.102 -0.906) 7.989 6.010 ( 1.298 0.758 6.205) 6.384 6.228 ( -1.655 -0.071 6.989) 7.183 6.432 ( -0.986 -1.713 8.397) 8.627 6.862 ( 6.317 0.116 1.426) 6.477 6.913 ( -8.050 -0.722 2.902) 8.587 7.493 ( 1.978 -6.237 -5.504) 8.550 7.664 ( -1.460 -7.318 3.529) 8.255 8.093 ( 0.751 -2.468 -0.661) 2.663 8.294 ( 3.787 -12.069 -2.724) 12.940 8.580 ( 3.681 2.858 0.218) 4.665 8.695 ( -3.890 -0.401 0.416) 3.932 8.997 ( -0.773 9.612 -0.033) 9.643 9.339 ( 1.400 -4.421 3.084) 5.569 9.389 ( 4.541 -6.715 10.657) 13.390 9.562 ( 1.419 -11.927 3.567) 12.529 9.774 ( -4.442 12.454 -7.439) 15.171 10.277 ( 1.561 -9.379 3.143) 10.014 10.512 ( -3.679 3.461 -0.993) 5.148 10.650 ( -0.778 -3.252 -0.775) 3.433 10.785 ( 5.413 -3.742 3.205) 7.319 11.107 ( -0.843 9.917 -3.793) 10.651 11.259 ( 8.219 3.311 -3.649) 9.582 11.462 ( -1.407 -3.676 -1.510) 4.216 11.631 ( -3.585 3.728 -7.843) 9.395 11.718 ( 1.153 6.053 -4.399) 7.571 11.965 ( -1.459 6.049 -1.733) 6.460 12.154 ( 1.099 11.561 -0.501) 11.624 12.355 ( 5.563 -2.955 -1.323) 6.436 12.517 ( -6.564 0.187 -2.701) 7.101 12.855 ( -6.842 3.675 20.828) 22.229 13.111 ( -5.005 -0.996 3.809) 6.368 13.322 ( 0.396 -6.553 -1.473) 6.728 13.609 ( 0.713 -6.530 7.239) 9.775 13.857 ( -4.913 -8.309 4.400) 10.608 14.024 ( 2.850 -8.277 -0.958) 8.806 14.332 ( 3.312 0.321 0.678) 3.396 14.608 ( -5.097 -8.141 1.501) 9.721 15.408 ( -0.569 22.314 -0.492) 22.327 16.451 ( 5.649 -4.361 -6.216) 9.465 17.147 ( -8.060 35.189 0.143) 36.101 17.299 ( -1.963 16.406 0.957) 16.550 17.672 ( 6.941 1.720 -9.106) 11.578 18.206 ( 5.132 6.172 -0.948) 8.083 18.553 ( -6.070 -4.239 6.829) 10.072 18.802 ( 2.707 -1.329 -13.478) 13.811 19.449 ( 1.837 10.568 3.354) 11.239 19.901 ( -9.418 5.655 5.978) 12.507 20.416 ( -0.176 -7.093 0.107) 7.096 20.992 ( 0.698 -15.824 3.195) 16.158 23.381 ( -35.487 54.900 -59.744) 88.559 25.219 ( -5.215 -16.484 -12.803) 21.513 25.777 ( 13.681 -5.179 12.039) 18.945 25.881 ( 35.123 -15.027 27.300) 46.955 27.877 ( -1.555 4.679 0.904) 5.013 28.394 ( 0.588 -6.953 2.635) 7.458 ======================= Grid point 98 (46/128) ======================= q-point: ( 0.10 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 8.779 20.882 -3.438) 22.911 1.602 ( 20.200 11.307 17.978) 29.311 1.887 ( 4.709 -3.457 5.058) 7.727 2.261 ( 9.828 -5.502 -5.925) 12.727 2.526 ( 12.149 31.999 5.942) 34.740 2.723 ( -4.715 8.059 -4.656) 10.434 2.814 ( -3.112 6.500 -1.975) 7.472 3.042 ( -3.525 18.663 -8.236) 20.701 3.243 ( -2.265 25.675 -3.468) 26.007 3.256 ( -7.953 8.102 -9.010) 14.494 3.647 ( 3.853 -0.951 -2.806) 4.861 3.944 ( -7.058 6.821 2.387) 10.101 4.029 ( -4.030 28.314 -4.793) 28.999 4.351 ( 1.904 3.166 -0.031) 3.694 4.435 ( 3.403 1.902 -7.292) 8.268 4.500 ( -11.641 3.115 6.610) 13.744 4.550 ( 1.455 5.785 1.759) 6.219 4.662 ( -1.485 4.421 -6.339) 7.870 4.943 ( 0.137 -2.917 -1.150) 3.138 5.245 ( 7.064 4.920 -5.522) 10.227 5.619 ( 2.679 -5.047 -3.094) 6.498 5.720 ( 3.625 2.556 -2.294) 4.993 5.782 ( 2.545 -5.466 1.968) 6.343 6.027 ( 0.149 4.428 5.520) 7.078 6.196 ( -3.856 -9.294 6.368) 11.908 6.403 ( -1.687 -1.073 7.525) 7.786 6.814 ( -2.117 3.986 0.949) 4.612 7.021 ( 9.664 -3.970 1.064) 10.501 7.537 ( 3.151 -5.287 -4.332) 7.527 7.641 ( -0.786 -5.915 2.572) 6.497 8.114 ( 1.313 -0.557 0.530) 1.522 8.341 ( 1.164 -10.860 1.656) 11.047 8.571 ( -6.507 6.966 1.449) 9.642 8.654 ( 2.782 -1.147 -0.017) 3.009 8.915 ( -6.473 9.659 2.175) 11.829 9.230 ( -5.280 -8.074 7.243) 12.064 9.420 ( 1.369 -4.632 2.578) 5.475 9.661 ( -6.496 9.686 -7.632) 13.938 9.913 ( 18.229 -8.016 4.967) 20.524 10.239 ( -3.260 -9.244 -0.265) 9.805 10.510 ( 1.998 1.813 -1.960) 3.335 10.662 ( 0.768 1.664 1.956) 2.680 10.859 ( 2.126 -2.882 -0.569) 3.626 11.138 ( 4.918 1.697 2.135) 5.623 11.272 ( -4.761 1.293 -2.973) 5.760 11.385 ( -4.596 1.051 -1.744) 5.027 11.582 ( -0.110 5.862 -12.907) 14.176 11.815 ( 6.384 2.018 -6.632) 9.424 11.917 ( -3.090 9.180 3.058) 10.158 12.107 ( -5.583 14.746 1.460) 15.835 12.379 ( -3.429 1.643 -4.402) 5.817 12.531 ( 7.178 -4.982 -1.057) 8.801 12.833 ( 4.091 1.585 14.709) 15.349 13.025 ( -3.606 -3.731 2.306) 5.678 13.299 ( -3.012 -7.590 -1.792) 8.360 13.586 ( -2.812 -8.258 8.210) 11.979 13.786 ( -2.975 -5.006 0.034) 5.823 14.052 ( 0.044 -7.929 1.763) 8.123 14.390 ( 1.762 -1.746 2.743) 3.698 14.598 ( 4.456 -6.479 -2.881) 8.375 15.446 ( 4.732 20.943 -0.895) 21.490 16.529 ( 1.725 -14.230 -1.104) 14.377 16.935 ( -10.525 52.316 -6.156) 53.718 17.292 ( 0.530 21.204 -0.199) 21.212 17.799 ( 5.749 2.320 -4.719) 7.791 18.200 ( -4.473 5.079 2.043) 7.069 18.462 ( -3.637 -4.156 3.501) 6.539 18.709 ( -9.634 6.472 -14.599) 18.650 19.164 ( -18.498 12.750 7.428) 23.662 20.031 ( 10.051 4.680 6.034) 12.623 20.434 ( 1.646 -7.336 -0.294) 7.524 20.992 ( -0.704 -14.533 3.356) 14.932 22.905 ( -8.408 55.952 -33.365) 65.685 25.096 ( -4.493 -19.820 -12.567) 23.894 25.900 ( 3.123 -1.186 4.033) 5.237 26.283 ( -1.963 -21.610 13.238) 25.418 27.943 ( 7.742 0.435 5.568) 9.547 28.413 ( 1.053 -6.801 2.835) 7.443 ======================= Grid point 99 (47/128) ======================= q-point: ( 0.20 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 21.965 14.655 -14.004) 29.889 1.910 ( 9.665 1.864 0.831) 9.878 2.037 ( 10.951 11.095 9.007) 18.004 2.427 ( 6.153 -0.018 -7.261) 9.518 2.547 ( -9.888 1.336 -8.672) 13.220 2.677 ( -1.029 4.880 -5.043) 7.093 2.911 ( 12.827 17.467 5.523) 22.363 2.995 ( -1.743 6.741 -0.752) 7.004 3.112 ( -3.063 14.776 -1.061) 15.127 3.208 ( -0.239 31.970 -2.980) 32.109 3.658 ( -3.712 6.546 -6.758) 10.114 3.732 ( -15.037 9.779 -3.497) 18.275 3.939 ( -2.160 23.678 -0.337) 23.779 4.200 ( -14.414 7.084 11.255) 19.612 4.318 ( -5.492 1.195 1.921) 5.939 4.442 ( -0.502 2.573 9.918) 10.259 4.669 ( 4.890 4.742 -5.243) 8.596 4.704 ( 4.958 2.429 -13.063) 14.181 5.015 ( 7.149 -7.375 -6.904) 12.376 5.395 ( 7.180 4.954 4.050) 9.617 5.625 ( 1.248 -1.924 -2.489) 3.385 5.815 ( 3.204 0.185 1.875) 3.717 5.869 ( 3.905 -0.048 0.898) 4.007 6.029 ( -0.918 7.557 2.812) 8.115 6.098 ( -3.719 -15.806 2.377) 16.410 6.398 ( -0.046 -2.041 7.455) 7.730 6.824 ( 2.871 7.070 -1.555) 7.788 7.206 ( 8.722 -5.927 1.632) 10.671 7.615 ( 5.064 -0.132 -1.860) 5.396 7.656 ( 2.719 -5.650 0.866) 6.329 8.123 ( -1.444 1.197 5.630) 5.934 8.335 ( -1.369 -1.713 4.728) 5.211 8.543 ( 3.443 2.138 -0.447) 4.078 8.614 ( -5.884 6.361 2.391) 8.989 8.875 ( 2.846 1.084 -2.542) 3.967 9.161 ( -3.370 -7.493 6.209) 10.298 9.428 ( -1.508 1.903 2.836) 3.734 9.496 ( -8.361 8.996 -5.980) 13.660 10.111 ( 1.441 -7.180 -0.577) 7.346 10.221 ( 1.177 -7.213 -2.798) 7.826 10.541 ( 1.439 0.434 -2.459) 2.882 10.644 ( -2.945 6.144 3.504) 7.661 10.938 ( 7.108 -4.092 -0.445) 8.214 11.158 ( -5.006 -1.581 -1.251) 5.397 11.253 ( 2.410 0.254 1.910) 3.086 11.353 ( 3.971 4.369 -1.706) 6.145 11.577 ( -0.033 7.560 -12.318) 14.453 11.831 ( -5.509 9.881 1.682) 11.437 11.919 ( 4.468 1.327 -5.246) 7.017 12.023 ( -1.293 10.050 4.340) 11.023 12.335 ( -0.768 5.598 -8.407) 10.129 12.567 ( -2.768 3.051 1.166) 4.281 12.965 ( 0.802 -10.665 6.432) 12.480 13.022 ( 6.006 -5.618 0.694) 8.253 13.221 ( -3.444 -5.210 -0.032) 6.245 13.546 ( -1.814 -10.938 6.327) 12.766 13.744 ( -0.885 -2.255 -2.452) 3.447 14.037 ( -1.114 -8.340 3.151) 8.985 14.458 ( 5.781 -2.292 0.981) 6.295 14.695 ( 4.587 -7.610 -3.743) 9.641 15.586 ( 9.449 17.236 -1.312) 19.700 16.496 ( -3.444 2.954 6.446) 7.883 16.824 ( -0.979 47.047 -14.480) 49.235 17.318 ( 2.612 19.508 1.183) 19.718 17.840 ( -1.944 5.971 6.729) 9.204 18.109 ( -4.245 4.007 4.019) 7.087 18.438 ( 1.898 -4.775 -6.207) 8.058 18.518 ( -7.892 10.801 -9.070) 16.162 18.871 ( -14.128 9.505 8.221) 18.908 20.114 ( -1.992 8.022 8.418) 11.797 20.472 ( 2.434 -9.694 -0.615) 10.014 20.966 ( -2.698 -13.850 2.443) 14.320 22.945 ( 11.588 42.189 -13.395) 45.756 25.049 ( 0.556 -20.462 -8.137) 22.028 25.877 ( -10.276 -2.821 -1.840) 10.814 26.050 ( -12.185 -5.682 0.675) 13.462 28.077 ( 3.723 -3.505 8.775) 10.156 28.432 ( 0.509 -6.181 2.532) 6.699 ======================= Grid point 100 (48/128) ======================= q-point: ( 0.30 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 24.253 8.844 -16.273) 30.516 2.027 ( 3.751 1.674 -9.350) 10.212 2.196 ( -0.183 13.176 -4.989) 14.090 2.378 ( 2.948 6.355 2.182) 7.337 2.540 ( 0.642 -1.689 -9.744) 9.910 2.651 ( 1.397 4.677 0.129) 4.883 2.894 ( -5.931 1.892 -6.740) 9.176 2.960 ( -2.028 3.148 -0.873) 3.845 3.200 ( 1.576 33.812 -0.264) 33.850 3.358 ( 10.532 9.952 3.847) 14.992 3.406 ( -16.576 14.450 -6.423) 22.909 3.540 ( -2.802 18.132 -7.271) 19.736 3.899 ( -5.477 22.357 5.776) 23.732 4.023 ( -2.836 2.951 15.323) 15.860 4.187 ( -6.808 6.428 3.420) 9.968 4.473 ( 2.040 3.412 6.758) 7.841 4.686 ( -1.450 1.682 -6.275) 6.657 4.802 ( 4.911 0.453 -11.745) 12.739 5.144 ( 5.627 -11.387 -4.141) 13.359 5.488 ( 1.884 2.482 11.569) 11.981 5.669 ( 2.123 -2.993 -2.616) 4.507 5.848 ( -1.238 5.127 0.587) 5.307 5.863 ( -1.186 -0.193 3.317) 3.528 5.996 ( 0.372 2.107 -0.664) 2.240 6.142 ( 4.779 -8.600 0.376) 9.846 6.393 ( -1.371 -3.359 7.285) 8.138 6.917 ( 6.994 8.315 -2.924) 11.252 7.338 ( 4.620 -4.412 2.296) 6.788 7.686 ( 2.576 -2.992 2.496) 4.671 7.763 ( 6.666 -0.025 -1.648) 6.867 8.069 ( -4.292 6.801 9.963) 12.803 8.277 ( -5.222 -0.626 0.872) 5.331 8.578 ( 3.129 10.802 -1.404) 11.333 8.654 ( 7.469 0.773 0.180) 7.511 8.952 ( 4.108 -3.326 -1.565) 5.512 9.086 ( -4.343 -2.708 2.109) 5.536 9.341 ( -5.319 12.567 -0.476) 13.655 9.424 ( -0.579 -1.445 3.186) 3.546 10.019 ( -7.686 -4.916 -9.094) 12.882 10.254 ( 1.388 -9.002 -0.068) 9.109 10.568 ( 0.296 -0.316 0.178) 0.469 10.584 ( -1.822 5.795 1.614) 6.286 10.994 ( -3.359 -9.704 -1.192) 10.338 11.135 ( 1.946 11.175 1.925) 11.505 11.266 ( 1.235 -0.857 -2.205) 2.669 11.475 ( 5.928 5.453 -1.018) 8.119 11.552 ( -0.940 8.552 -9.422) 12.759 11.752 ( -0.988 7.600 1.228) 7.762 11.974 ( 0.779 11.702 8.060) 14.230 12.082 ( 5.771 -6.247 -5.275) 10.008 12.329 ( 1.251 8.200 -12.320) 14.852 12.482 ( -4.831 8.015 -3.998) 10.177 12.921 ( -5.086 -9.154 0.964) 10.516 13.072 ( 0.464 -13.620 2.276) 13.817 13.217 ( 0.709 -4.782 2.574) 5.477 13.519 ( -1.773 -10.746 5.270) 12.099 13.758 ( 2.455 0.472 -1.697) 3.022 14.048 ( 2.516 -8.067 1.163) 8.530 14.580 ( 5.365 -6.000 -1.114) 8.125 14.780 ( 5.469 -8.404 -2.374) 10.304 15.777 ( 10.280 16.262 -1.463) 19.294 16.486 ( 1.709 23.839 5.340) 24.490 16.790 ( -2.615 34.662 -8.214) 35.718 17.414 ( 7.628 12.858 1.553) 15.030 17.769 ( -5.101 6.472 7.836) 11.371 18.033 ( -4.625 4.896 9.310) 11.490 18.374 ( -6.632 3.453 -3.747) 8.364 18.520 ( 4.573 -2.502 -9.537) 10.869 18.628 ( -10.077 15.172 5.621) 19.061 20.012 ( -8.027 11.311 8.407) 16.219 20.525 ( 3.059 -12.381 -0.309) 12.757 20.887 ( -5.384 -13.840 0.586) 14.862 23.218 ( 15.368 30.832 -2.230) 34.522 25.093 ( 3.981 -19.330 -3.311) 20.012 25.507 ( -20.190 4.567 -8.703) 22.456 25.970 ( -1.186 -5.047 -1.323) 5.350 28.092 ( -2.358 -2.124 6.594) 7.318 28.429 ( -1.086 -5.457 1.667) 5.808 ======================= Grid point 101 (49/128) ======================= q-point: ( 0.40 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -1.663 4.226 -13.542) 14.283 2.182 ( 6.230 4.409 -2.253) 7.958 2.288 ( 16.021 4.651 -18.881) 25.195 2.443 ( -1.590 8.568 1.996) 8.940 2.540 ( 3.736 -1.769 -12.659) 13.317 2.715 ( 3.021 7.632 -0.294) 8.214 2.809 ( -0.987 6.345 -4.434) 7.803 2.954 ( 2.210 6.464 -2.718) 7.353 3.095 ( -12.392 8.190 -8.850) 17.291 3.223 ( -3.849 21.468 -0.539) 21.817 3.243 ( -8.677 22.141 -3.290) 24.007 3.681 ( 5.765 7.591 4.678) 10.618 3.768 ( -7.731 20.473 10.957) 24.474 4.045 ( -1.677 7.945 5.427) 9.766 4.152 ( 7.655 12.666 5.840) 15.911 4.506 ( 0.223 4.475 5.133) 6.814 4.610 ( -5.981 0.409 -3.682) 7.035 4.835 ( -0.518 -1.242 -12.264) 12.337 5.240 ( 5.473 -10.788 -2.695) 12.393 5.490 ( -2.459 -0.569 10.337) 10.641 5.687 ( 0.309 -3.408 1.864) 3.897 5.768 ( -3.787 -3.292 2.687) 5.692 5.928 ( 4.291 8.650 0.380) 9.663 6.024 ( 2.222 1.188 1.600) 2.985 6.226 ( 3.613 -6.203 0.437) 7.192 6.362 ( -2.157 -4.438 5.582) 7.450 7.075 ( 9.082 6.551 -2.829) 11.550 7.381 ( -0.421 2.532 1.658) 3.056 7.713 ( -0.616 -5.336 4.889) 7.263 7.852 ( 2.237 -2.116 0.724) 3.163 7.983 ( -5.088 10.223 5.197) 12.546 8.210 ( -0.842 8.317 1.257) 8.454 8.670 ( 5.758 5.571 -5.785) 9.882 8.811 ( 8.082 0.146 0.603) 8.106 8.948 ( -3.348 -5.265 0.351) 6.249 9.089 ( 3.931 3.070 -0.871) 5.063 9.253 ( -4.341 12.856 2.931) 13.882 9.415 ( -2.418 1.361 3.174) 4.215 9.901 ( -1.437 -6.298 -8.340) 10.549 10.251 ( -1.836 -10.877 -0.823) 11.061 10.523 ( -2.214 6.960 6.006) 9.456 10.619 ( 2.941 -4.008 -3.532) 6.099 10.923 ( -2.944 -6.895 -0.222) 7.500 11.115 ( -3.197 17.479 2.425) 17.934 11.289 ( 0.166 -4.646 -1.464) 4.874 11.517 ( 0.712 13.325 -3.181) 13.718 11.587 ( 4.210 4.438 -6.544) 8.958 11.814 ( 5.945 6.187 -1.833) 8.774 11.963 ( -2.623 9.700 7.358) 12.454 12.121 ( -2.981 -4.828 -2.036) 6.028 12.370 ( 1.523 5.611 -7.798) 9.727 12.435 ( 3.636 8.635 -14.360) 17.146 12.811 ( -5.331 -10.327 -1.862) 11.770 13.083 ( 0.349 -16.300 0.189) 16.305 13.209 ( -1.228 -5.013 4.200) 6.654 13.490 ( -1.439 -9.742 6.302) 11.691 13.824 ( 3.897 3.253 1.497) 5.292 14.124 ( 4.696 -6.947 -0.998) 8.445 14.644 ( 2.112 -7.109 -1.961) 7.671 14.885 ( 4.231 -13.250 -2.012) 14.054 15.981 ( 10.917 18.549 -1.640) 21.585 16.504 ( -2.335 25.312 3.896) 25.716 16.721 ( -3.063 41.656 -1.931) 41.813 17.600 ( 10.101 3.651 3.625) 11.336 17.681 ( -4.117 3.105 5.008) 7.188 17.951 ( -4.102 7.334 8.173) 11.723 18.217 ( -10.240 0.578 1.196) 10.326 18.438 ( -4.810 24.442 3.810) 25.201 18.667 ( 6.490 -5.790 -8.723) 12.318 19.865 ( -6.950 13.033 7.696) 16.655 20.583 ( 2.850 -11.489 -0.123) 11.838 20.780 ( -5.164 -16.348 -0.770) 17.162 23.466 ( 9.298 25.166 2.030) 26.906 25.166 ( 0.632 -13.968 -1.310) 14.043 25.208 ( -6.528 6.389 -7.392) 11.750 25.956 ( -0.306 -7.771 -2.479) 8.162 28.022 ( -4.650 -0.083 2.809) 5.433 28.399 ( -1.877 -5.056 0.507) 5.417 ======================= Grid point 102 (50/128) ======================= q-point: (-0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 2.949 4.025 -9.136) 10.410 2.236 ( -0.971 -0.714 -1.594) 1.999 2.347 ( -4.661 5.394 -7.333) 10.227 2.468 ( 5.607 2.404 -18.544) 19.522 2.647 ( -2.968 4.411 -13.988) 14.964 2.777 ( 10.750 6.497 -7.622) 14.693 2.809 ( -1.878 7.519 -1.364) 7.869 2.922 ( -2.819 6.319 -1.543) 7.090 2.965 ( -4.840 6.873 -9.207) 12.467 3.109 ( 2.766 22.490 -0.693) 22.670 3.220 ( -0.103 24.147 3.388) 24.384 3.612 ( -5.928 11.305 12.448) 17.830 3.779 ( 3.472 10.158 10.092) 14.734 3.998 ( -1.707 19.048 1.232) 19.164 4.304 ( -1.955 1.104 -2.743) 3.544 4.425 ( -5.014 9.741 1.833) 11.108 4.542 ( -0.015 0.237 3.686) 3.693 4.805 ( 0.374 2.295 -12.949) 13.157 5.349 ( 5.575 -11.111 -1.491) 12.520 5.429 ( -4.486 -1.695 4.889) 6.848 5.689 ( 0.240 -4.253 2.601) 4.991 5.710 ( -3.102 -3.957 6.218) 7.997 6.005 ( 4.147 7.357 5.025) 9.827 6.096 ( 4.849 2.201 2.259) 5.785 6.271 ( 0.497 -4.864 1.473) 5.106 6.331 ( -1.012 -6.752 3.271) 7.570 7.231 ( 6.068 1.326 -2.397) 6.658 7.330 ( -4.342 13.584 0.450) 14.268 7.663 ( -4.621 -4.020 7.110) 9.384 7.863 ( -0.745 -6.395 0.442) 6.453 7.913 ( -1.794 9.168 0.873) 9.383 8.216 ( 0.396 12.421 1.788) 12.556 8.756 ( 1.573 -0.961 -5.301) 5.613 8.871 ( 0.056 -9.589 1.576) 9.717 8.992 ( 6.733 6.840 -2.484) 9.914 9.146 ( 1.349 4.968 1.246) 5.297 9.181 ( -2.939 14.142 3.479) 14.858 9.305 ( -7.352 4.450 -0.775) 8.629 9.986 ( 9.185 -6.341 -0.847) 11.193 10.193 ( -3.395 -12.362 -3.114) 13.192 10.511 ( 0.442 8.272 5.160) 9.760 10.676 ( 2.704 -7.151 -1.133) 7.729 10.891 ( -0.264 -6.485 -0.577) 6.516 11.053 ( -2.837 17.649 2.002) 17.988 11.282 ( -0.088 -1.326 -0.505) 1.422 11.555 ( 3.487 12.879 -1.169) 13.394 11.658 ( 3.337 3.487 -8.178) 9.496 11.852 ( -5.089 5.556 1.906) 7.771 11.927 ( -1.996 11.806 -2.759) 12.288 12.011 ( -4.326 2.261 -2.196) 5.353 12.367 ( 0.101 -5.426 -5.847) 7.977 12.548 ( 6.444 7.317 -12.513) 15.863 12.739 ( -1.548 -11.780 -2.970) 12.247 13.092 ( 1.327 -12.902 -3.596) 13.459 13.203 ( 0.446 -6.132 6.935) 9.268 13.477 ( -0.705 -9.601 6.713) 11.736 13.892 ( 2.617 4.561 4.132) 6.688 14.206 ( 3.579 -5.861 -0.518) 6.887 14.674 ( 1.253 -8.129 -1.232) 8.317 14.912 ( -1.013 -15.218 -3.131) 15.570 16.132 ( 1.507 15.810 -2.160) 16.028 16.415 ( -3.754 27.915 2.539) 28.280 16.685 ( -0.893 43.505 0.819) 43.522 17.595 ( -5.254 -0.564 5.338) 7.511 17.743 ( 2.185 5.525 6.441) 8.762 17.925 ( -2.298 5.033 1.561) 5.748 18.051 ( -1.284 8.792 1.342) 8.986 18.402 ( 0.328 19.235 3.393) 19.535 18.768 ( 4.400 -6.315 -5.226) 9.303 19.792 ( -0.680 14.062 7.362) 15.887 20.612 ( -0.536 -6.034 -0.831) 6.114 20.724 ( 0.358 -22.079 -0.464) 22.087 23.563 ( 1.133 24.308 2.591) 24.472 25.102 ( 0.419 10.608 -7.604) 13.059 25.251 ( 2.971 -16.136 2.915) 16.664 25.944 ( -1.004 -8.664 -3.211) 9.295 27.939 ( -3.662 1.495 -0.214) 3.961 28.369 ( -0.991 -5.175 -0.386) 5.283 ======================= Grid point 103 (51/128) ======================= q-point: (-0.40 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -9.686 4.347 -15.689) 18.943 2.157 ( -3.785 -0.075 -3.105) 4.896 2.300 ( 0.472 8.119 -13.295) 15.585 2.470 ( -3.638 7.392 2.576) 8.632 2.587 ( -3.502 3.254 -22.182) 22.691 2.690 ( -4.346 3.837 -1.255) 5.932 2.850 ( 1.515 -1.416 -12.908) 13.073 2.954 ( 5.830 5.030 0.530) 7.718 3.030 ( 5.015 15.208 -4.698) 16.689 3.189 ( -1.835 7.558 3.798) 8.656 3.198 ( 4.624 34.087 -1.324) 34.425 3.628 ( 6.026 9.986 10.055) 15.399 3.867 ( 4.294 12.572 9.431) 16.292 3.987 ( -5.429 18.219 7.781) 20.542 4.055 ( -10.067 7.176 -2.443) 12.602 4.380 ( -3.540 4.876 -5.429) 8.111 4.538 ( -0.877 1.275 -5.125) 5.353 4.868 ( 5.682 4.253 -6.205) 9.427 5.308 ( -7.977 -1.519 4.238) 9.160 5.435 ( 2.280 -11.520 -2.601) 12.028 5.670 ( -0.314 -4.819 6.212) 7.868 5.724 ( 3.015 -4.728 1.457) 5.794 6.107 ( 5.361 5.969 6.645) 10.418 6.185 ( 3.066 2.009 7.389) 8.248 6.246 ( -1.996 -2.569 1.183) 3.462 6.329 ( -0.031 -10.189 2.966) 10.612 7.166 ( -9.301 16.313 -1.769) 18.861 7.328 ( 0.663 3.259 0.152) 3.329 7.585 ( -3.416 -3.658 4.111) 6.477 7.841 ( -1.266 -5.875 -0.502) 6.031 7.914 ( 1.371 7.266 2.080) 7.682 8.221 ( 0.345 7.231 1.150) 7.330 8.683 ( -7.428 -4.161 -2.627) 8.910 8.895 ( -0.075 -9.124 -0.763) 9.156 8.988 ( -7.709 4.952 2.065) 9.393 9.130 ( -1.012 11.713 4.033) 12.429 9.208 ( 3.472 2.909 -4.178) 6.162 9.282 ( 7.419 14.898 1.436) 16.705 10.105 ( -1.943 -10.007 -1.482) 10.301 10.210 ( 9.458 -4.565 -0.406) 10.510 10.539 ( 1.450 8.415 4.249) 9.538 10.703 ( -0.079 -9.526 0.784) 9.559 10.900 ( 1.215 -4.003 -1.210) 4.355 11.032 ( 0.659 10.406 -1.987) 10.615 11.299 ( 1.830 3.856 -0.299) 4.278 11.629 ( 2.688 10.375 0.972) 10.762 11.657 ( -6.476 5.832 -6.312) 10.760 11.743 ( -3.538 5.823 1.295) 6.935 11.768 ( -6.226 5.941 -4.611) 9.763 12.029 ( 2.331 4.099 -5.073) 6.926 12.359 ( -0.792 -7.943 -7.052) 10.651 12.630 ( 2.923 4.861 -4.742) 7.393 12.750 ( 2.941 -9.655 -4.811) 11.181 13.148 ( 4.898 -8.856 -1.911) 10.299 13.237 ( 2.418 -7.034 6.446) 9.843 13.465 ( -1.327 -9.116 6.374) 11.202 13.920 ( -0.229 3.989 5.075) 6.460 14.247 ( 0.235 -5.454 2.126) 5.858 14.681 ( -1.092 -9.489 -0.128) 9.552 14.859 ( -3.446 -13.154 -3.715) 14.096 16.001 ( -11.163 15.446 -1.049) 19.086 16.398 ( -1.353 34.876 -0.380) 34.904 16.706 ( 3.737 26.811 0.510) 27.075 17.469 ( -7.640 2.337 3.077) 8.561 17.761 ( -1.042 10.768 2.524) 11.109 17.807 ( -4.557 8.517 1.617) 9.794 18.183 ( 8.890 12.130 0.475) 15.047 18.463 ( 6.263 9.556 4.159) 12.159 18.823 ( 1.521 -6.104 -1.685) 6.512 19.855 ( 6.200 13.291 7.804) 16.613 20.587 ( -1.328 -7.994 0.010) 8.103 20.766 ( 3.036 -18.935 -1.058) 19.206 23.555 ( -0.946 26.772 5.557) 27.360 25.141 ( 2.880 10.856 -12.198) 16.582 25.303 ( 2.351 -17.296 5.144) 18.197 25.901 ( -3.361 -7.996 -4.964) 9.994 27.894 ( -0.913 2.419 -0.598) 2.654 28.363 ( 0.323 -5.614 -0.549) 5.650 ======================= Grid point 104 (52/128) ======================= q-point: (-0.30 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -22.402 9.628 -21.342) 32.404 2.058 ( -7.656 -0.454 -2.103) 7.952 2.267 ( -10.291 13.800 2.128) 17.346 2.389 ( -2.421 0.473 -14.156) 14.370 2.473 ( -0.564 5.739 -6.612) 8.774 2.692 ( 3.659 7.469 -8.449) 11.855 2.964 ( 4.828 -3.373 -13.544) 14.769 3.017 ( 2.114 9.530 -2.208) 10.009 3.078 ( 1.475 13.846 -0.803) 13.947 3.153 ( 1.131 15.671 2.635) 15.931 3.323 ( 4.791 11.936 -1.082) 12.907 3.638 ( -10.208 22.917 2.456) 25.208 3.817 ( 5.154 6.621 12.903) 15.391 3.973 ( 3.712 7.915 6.870) 11.118 4.089 ( 2.574 20.404 -1.124) 20.596 4.331 ( 1.110 3.723 -5.198) 6.490 4.535 ( 2.366 3.472 -11.750) 12.479 4.944 ( 1.781 4.687 -1.915) 5.367 5.157 ( -6.777 -2.026 0.848) 7.125 5.411 ( -4.431 -8.164 2.125) 9.529 5.718 ( 3.640 -10.010 -0.691) 10.673 5.799 ( 4.343 -4.281 2.161) 6.470 6.105 ( -6.236 -2.484 4.569) 8.120 6.230 ( -1.855 -2.203 4.860) 5.650 6.268 ( 5.707 4.831 10.012) 12.496 6.340 ( 1.223 -7.178 5.770) 9.291 6.964 ( -10.795 21.662 -3.085) 24.399 7.297 ( -3.240 0.205 1.417) 3.542 7.532 ( -2.570 -5.576 -0.908) 6.207 7.807 ( -2.704 -4.168 0.342) 4.980 7.959 ( 2.884 4.985 5.420) 7.908 8.242 ( 1.597 1.125 -0.349) 1.985 8.514 ( -8.401 -3.133 -2.952) 9.440 8.782 ( -8.115 6.757 4.966) 11.669 8.906 ( -2.077 -5.190 -3.459) 6.574 9.130 ( 0.113 2.010 5.067) 5.452 9.277 ( 4.513 -1.505 -3.003) 5.626 9.485 ( 11.433 20.670 2.085) 23.713 10.044 ( -3.547 -8.967 -5.277) 10.992 10.384 ( 7.074 4.525 1.670) 8.562 10.540 ( -2.339 2.252 5.364) 6.271 10.680 ( -0.910 -5.555 0.689) 5.671 10.962 ( 4.956 -3.306 -3.956) 7.151 11.027 ( -2.395 -0.132 -3.059) 3.887 11.294 ( -6.293 9.182 -1.745) 11.267 11.468 ( -5.761 2.775 -2.105) 6.732 11.587 ( -3.345 11.727 -7.176) 14.150 11.753 ( 4.762 8.951 4.407) 11.056 11.794 ( 3.468 -3.935 -0.246) 5.251 12.054 ( 0.488 0.864 -5.963) 6.045 12.321 ( -2.284 -3.244 -6.615) 7.714 12.664 ( 1.097 2.306 0.975) 2.733 12.835 ( 6.113 -6.261 -5.396) 10.280 13.244 ( 3.361 -6.678 3.575) 8.287 13.308 ( 4.169 -4.966 5.152) 8.282 13.441 ( -0.763 -8.772 5.208) 10.230 13.895 ( -2.420 0.784 3.554) 4.371 14.212 ( -4.138 -6.004 5.601) 9.194 14.601 ( -7.254 -7.192 -0.040) 10.215 14.813 ( -0.893 -11.152 -2.096) 11.382 15.790 ( -10.151 15.993 -1.140) 18.977 16.334 ( -4.017 28.888 -1.354) 29.198 16.838 ( 10.087 16.807 -2.000) 19.703 17.339 ( -5.345 8.619 -1.502) 10.252 17.703 ( -2.120 9.916 -3.996) 10.899 17.787 ( -0.794 13.608 6.667) 15.174 18.339 ( 7.889 19.119 -3.518) 20.980 18.652 ( 12.134 -1.446 5.659) 13.467 18.826 ( -0.875 -5.578 1.612) 5.871 20.018 ( 9.208 9.927 9.355) 16.457 20.561 ( -1.648 -8.884 1.131) 9.106 20.827 ( 3.401 -15.683 -1.245) 16.095 23.591 ( 5.426 31.330 13.093) 34.386 25.130 ( -3.806 10.325 -25.164) 27.465 25.364 ( 3.733 -16.900 6.645) 18.539 25.805 ( -5.996 -7.475 -7.856) 12.392 27.900 ( 1.176 2.791 1.895) 3.572 28.374 ( 0.665 -6.022 0.110) 6.060 ======================= Grid point 105 (53/128) ======================= q-point: (-0.20 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -20.717 16.294 -17.909) 31.866 1.891 ( -10.120 2.153 2.182) 10.574 1.959 ( -17.684 5.683 7.762) 20.131 2.283 ( -6.863 -3.966 -10.330) 13.021 2.539 ( -0.814 20.294 -10.508) 22.867 2.728 ( 1.185 12.818 -3.592) 13.365 2.910 ( -2.864 6.207 -0.136) 6.838 3.045 ( 1.587 11.909 -7.198) 14.006 3.121 ( 2.881 21.511 -2.992) 21.908 3.250 ( 9.141 1.323 -11.596) 14.824 3.418 ( 4.647 0.471 -3.613) 5.905 3.592 ( 4.169 22.483 5.863) 23.606 3.929 ( 4.038 4.771 6.654) 9.129 4.048 ( 5.772 2.487 -1.077) 6.376 4.129 ( 2.412 27.441 -0.675) 27.555 4.377 ( 1.971 7.073 1.439) 7.482 4.625 ( 6.646 3.705 -11.678) 13.938 4.953 ( 1.485 4.677 -4.674) 6.776 5.077 ( -2.145 -1.748 1.618) 3.205 5.285 ( -8.740 -6.029 3.922) 11.319 5.749 ( -1.259 -13.120 -6.921) 14.887 5.882 ( 3.368 -3.050 4.037) 6.078 5.958 ( -8.381 -3.320 5.795) 10.717 6.148 ( -6.430 -6.602 6.306) 11.167 6.358 ( 0.618 7.412 9.262) 11.879 6.377 ( 1.974 -3.598 8.181) 9.153 6.789 ( -5.543 17.654 -3.871) 18.905 7.219 ( -5.267 -0.524 2.779) 5.978 7.485 ( -1.758 -6.065 -4.487) 7.747 7.735 ( -4.167 -4.438 2.274) 6.498 8.026 ( 3.251 0.770 6.421) 7.238 8.242 ( -2.118 -4.491 -1.752) 5.265 8.427 ( 0.728 3.524 -2.587) 4.432 8.705 ( 0.082 6.427 4.909) 8.088 8.864 ( -1.144 -6.481 -3.804) 7.601 9.124 ( -1.551 -3.421 5.928) 7.018 9.367 ( 4.694 1.248 -1.494) 5.082 9.690 ( 9.046 12.586 0.236) 15.502 9.959 ( -5.050 -2.318 -5.139) 7.569 10.372 ( -7.654 3.762 2.801) 8.977 10.563 ( 4.660 -2.728 4.634) 7.116 10.696 ( 0.746 3.084 0.766) 3.263 10.935 ( -5.316 0.184 1.060) 5.424 10.961 ( -7.533 -7.893 -9.530) 14.486 11.161 ( -0.541 9.183 -3.965) 10.017 11.418 ( -0.983 -1.955 -1.674) 2.755 11.602 ( 3.959 11.027 -3.251) 12.159 11.822 ( 1.228 9.137 0.206) 9.222 11.895 ( 6.029 -7.284 1.170) 9.528 12.044 ( 0.199 1.314 -4.988) 5.162 12.277 ( -1.378 1.102 -5.687) 5.955 12.675 ( -0.520 0.294 3.181) 3.237 12.956 ( 5.759 -4.788 -1.458) 7.630 13.261 ( -1.926 -2.139 4.348) 5.215 13.336 ( -1.381 0.919 9.663) 9.805 13.485 ( 3.261 -10.903 4.703) 12.314 13.868 ( 0.755 -5.204 -0.554) 5.288 14.110 ( -6.575 -7.308 7.659) 12.462 14.443 ( -8.090 -1.717 0.521) 8.286 14.792 ( -1.939 -11.538 -0.767) 11.725 15.608 ( -8.778 17.882 -0.838) 19.938 16.293 ( 0.606 16.562 -2.648) 16.784 17.069 ( 12.566 13.535 -3.733) 18.842 17.277 ( -0.386 16.126 -4.073) 16.637 17.664 ( -3.003 4.124 -1.309) 5.267 17.808 ( 4.890 18.974 0.901) 19.615 18.493 ( 8.737 18.082 -7.094) 21.298 18.758 ( -3.347 -5.329 3.848) 7.376 18.939 ( 13.584 -3.904 5.364) 15.118 20.178 ( 5.011 3.244 10.562) 12.132 20.521 ( -2.708 -7.195 1.439) 7.822 20.892 ( 3.366 -14.372 0.380) 14.766 23.857 ( 22.537 35.286 19.438) 46.161 24.907 ( -17.149 12.017 -38.695) 43.998 25.461 ( 5.558 -13.653 5.241) 15.645 25.668 ( -7.030 -8.815 -8.773) 14.286 27.926 ( 0.844 2.833 4.589) 5.459 28.384 ( 0.215 -6.288 1.160) 6.398 ======================= Grid point 106 (54/128) ======================= q-point: (-0.10 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -0.910 21.824 -0.113) 21.843 1.522 ( -23.212 12.343 13.940) 29.757 1.815 ( -2.248 -6.441 6.912) 9.712 2.146 ( -5.310 -6.391 -11.607) 14.274 2.404 ( -6.499 36.920 0.305) 37.489 2.775 ( 1.918 14.283 -3.975) 14.949 2.871 ( -1.517 4.580 -0.307) 4.834 3.161 ( 1.918 41.667 0.960) 41.723 3.185 ( 8.891 1.355 -14.718) 17.248 3.358 ( 2.951 0.241 -20.669) 20.880 3.484 ( 4.163 -5.410 -4.576) 8.218 3.759 ( 10.744 16.084 8.455) 21.110 4.005 ( 4.744 2.403 -2.754) 5.988 4.155 ( -0.004 28.165 1.356) 28.198 4.209 ( 9.950 3.922 -2.732) 11.038 4.406 ( 1.422 7.002 -1.585) 7.319 4.712 ( 2.901 5.434 -1.688) 6.387 5.020 ( 0.942 -0.606 -7.533) 7.616 5.055 ( 1.173 1.237 -0.341) 1.738 5.098 ( -8.976 -4.029 3.873) 10.574 5.638 ( -8.610 -7.669 -4.163) 12.259 5.794 ( -6.775 -6.017 1.001) 9.116 5.960 ( 2.691 -3.470 3.904) 5.876 6.012 ( -8.083 -4.433 6.127) 11.069 6.295 ( -5.590 10.033 4.494) 12.333 6.418 ( 1.318 -2.201 9.074) 9.429 6.773 ( 2.837 4.908 0.422) 5.685 7.085 ( -8.934 -1.014 3.628) 9.696 7.471 ( 0.719 -5.743 -5.892) 8.259 7.684 ( -1.369 -6.547 3.843) 7.714 8.078 ( 1.383 -2.397 1.741) 3.270 8.223 ( 2.047 -8.205 -2.780) 8.902 8.500 ( 5.099 6.669 1.315) 8.497 8.720 ( -0.165 -1.779 -2.673) 3.215 8.935 ( 8.282 2.743 3.725) 9.486 9.108 ( 2.467 -5.953 5.284) 8.334 9.428 ( 0.642 -0.327 2.070) 2.192 9.732 ( -8.001 -9.302 -3.429) 12.739 9.864 ( -3.193 14.248 -4.089) 15.163 10.247 ( -2.793 -1.505 7.475) 8.121 10.621 ( -5.716 2.422 0.685) 6.246 10.664 ( 3.841 -5.116 2.022) 6.709 10.744 ( -7.304 -4.758 -5.937) 10.547 11.030 ( 10.516 6.242 0.194) 12.230 11.154 ( -1.127 10.398 -5.311) 11.730 11.440 ( 2.566 -5.673 -1.904) 6.511 11.659 ( 1.125 6.198 -0.747) 6.343 11.787 ( -4.402 5.563 -6.847) 9.860 11.959 ( 1.752 -1.479 -1.231) 2.602 12.103 ( 4.202 6.950 -2.272) 8.433 12.276 ( 2.371 -0.122 -3.826) 4.503 12.632 ( -4.421 -0.442 2.057) 4.896 12.985 ( -4.788 -1.500 12.678) 13.635 13.196 ( -4.465 2.423 6.093) 7.933 13.315 ( -0.389 -1.760 0.388) 1.844 13.549 ( 3.628 -9.387 7.176) 12.361 13.923 ( 2.415 -8.133 1.586) 8.631 13.994 ( -4.500 -9.249 3.495) 10.863 14.327 ( -3.304 1.675 0.560) 3.746 14.721 ( -5.444 -11.208 0.972) 12.498 15.466 ( -5.485 21.127 -0.330) 21.830 16.349 ( 4.965 5.225 -5.056) 8.805 17.198 ( 1.408 24.577 -5.066) 25.133 17.328 ( 2.339 12.488 1.350) 12.776 17.604 ( -0.863 3.776 -2.469) 4.594 18.005 ( 13.934 11.403 -4.585) 18.580 18.653 ( 2.209 5.077 -1.407) 5.713 18.682 ( 1.761 0.661 -3.052) 3.585 19.211 ( 14.370 1.120 3.371) 14.803 20.166 ( -8.783 0.236 9.677) 13.071 20.455 ( -3.800 -6.559 0.716) 7.614 20.954 ( 2.807 -15.254 2.322) 15.683 24.127 ( -23.414 37.317 -61.987) 76.047 24.794 ( 35.021 10.343 34.470) 50.215 25.472 ( -5.052 -10.444 -13.240) 17.604 25.646 ( 6.863 -9.507 9.376) 15.013 27.923 ( -1.819 3.099 3.732) 5.181 28.386 ( 0.050 -6.614 2.061) 6.928 ======================= Grid point 107 (55/128) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.656 12.180 15.716) 19.895 1.501 ( 4.321 18.531 0.238) 19.030 1.691 ( 2.898 -7.940 12.923) 15.442 1.865 ( 4.680 -15.933 -5.231) 17.411 2.798 ( -1.258 6.786 -4.335) 8.150 2.860 ( -2.032 -0.896 -2.900) 3.653 3.064 ( -0.536 13.657 -0.787) 13.690 3.214 ( -2.641 -3.206 -11.695) 12.411 3.453 ( 3.792 5.116 -14.551) 15.884 3.524 ( 6.035 -2.356 -4.884) 8.113 3.908 ( 0.833 28.826 -1.080) 28.858 4.087 ( 7.056 5.646 1.830) 9.220 4.169 ( 8.761 0.386 -9.716) 13.088 4.333 ( -0.360 -9.760 -2.292) 10.032 4.580 ( -0.452 13.301 0.174) 13.310 4.750 ( -7.519 9.922 6.317) 13.960 4.810 ( -8.349 3.400 3.503) 9.671 4.895 ( -0.044 -1.677 -0.523) 1.758 4.926 ( -2.962 15.844 2.878) 16.373 5.153 ( 5.580 0.710 -9.537) 11.073 5.329 ( 3.878 -11.013 -9.334) 14.948 5.509 ( 0.086 -18.468 1.125) 18.503 5.849 ( -4.265 0.095 4.691) 6.341 5.885 ( -0.170 -5.383 5.910) 7.995 6.403 ( -4.605 7.825 6.896) 11.402 6.440 ( -1.525 1.482 7.958) 8.237 6.828 ( -0.585 4.137 -1.655) 4.494 6.949 ( -3.652 -2.920 -0.063) 4.677 7.444 ( 1.036 0.900 -2.116) 2.522 7.518 ( -0.348 -6.505 1.878) 6.780 8.034 ( 2.280 -2.514 -0.995) 3.537 8.074 ( 3.043 -7.888 -2.665) 8.864 8.656 ( 0.659 4.386 1.619) 4.722 8.703 ( -0.989 -0.104 0.919) 1.355 9.168 ( 9.493 8.191 4.319) 13.261 9.243 ( 0.303 -3.493 2.062) 4.067 9.271 ( -6.375 -4.849 5.403) 9.662 9.342 ( 2.884 -9.626 5.756) 11.581 9.971 ( -4.187 7.677 -3.418) 9.389 10.109 ( -3.226 -7.605 1.074) 8.330 10.551 ( 0.001 0.924 -1.386) 1.666 10.602 ( 3.540 -3.807 1.431) 5.392 10.822 ( 0.543 10.889 0.963) 10.944 11.081 ( -0.634 -12.900 -2.513) 13.158 11.362 ( -1.393 10.368 -6.937) 12.553 11.492 ( 0.300 -0.041 -2.221) 2.241 11.679 ( -1.977 3.183 -6.485) 7.490 11.764 ( -0.147 -2.065 -2.359) 3.139 12.004 ( 4.154 3.277 2.486) 5.846 12.154 ( 6.839 -9.343 3.778) 12.179 12.490 ( 1.513 12.788 -2.755) 13.169 12.590 ( -3.992 3.136 -1.068) 5.188 12.923 ( -5.172 4.466 4.516) 8.191 13.084 ( -2.332 -10.080 -2.938) 10.755 13.264 ( -6.270 8.711 8.092) 13.441 13.473 ( -3.943 -9.989 11.091) 15.438 13.771 ( 0.859 0.999 0.645) 1.467 13.864 ( 3.232 -7.502 -0.495) 8.184 14.365 ( 0.365 3.366 1.144) 3.574 14.463 ( -2.046 -6.639 1.176) 7.046 15.827 ( -0.335 20.788 -0.900) 20.810 16.197 ( 0.671 -17.416 -1.407) 17.485 17.541 ( 3.117 8.320 -7.063) 11.350 17.627 ( 4.017 0.233 -6.380) 7.543 17.908 ( -0.213 29.689 -3.925) 29.948 18.322 ( 1.450 -6.828 0.947) 7.045 18.456 ( -4.655 3.814 4.849) 7.729 18.652 ( -1.492 -10.921 -1.458) 11.118 19.757 ( 5.970 17.971 -0.473) 18.943 20.001 ( -2.239 -2.000 2.008) 3.612 20.324 ( -2.065 4.535 3.792) 6.262 20.628 ( -0.261 -20.651 5.116) 21.277 24.240 ( -23.008 36.577 -37.391) 57.143 24.827 ( -13.141 -24.952 -22.548) 36.107 25.688 ( 22.450 -1.676 19.923) 30.062 25.722 ( 15.069 -4.464 14.649) 21.484 28.016 ( -0.493 9.550 1.485) 9.677 28.219 ( 0.278 -10.640 2.151) 10.859 ======================= Grid point 108 (56/128) ======================= q-point: ( 0.10 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 5.623 15.944 -1.637) 16.985 1.687 ( 5.923 -7.039 3.159) 9.726 1.890 ( 17.942 8.752 11.980) 23.281 2.095 ( 15.214 -10.611 3.643) 18.903 2.750 ( -4.705 2.599 -6.796) 8.665 2.781 ( -5.924 -0.796 -4.536) 7.504 3.051 ( -0.529 8.884 -3.765) 9.663 3.133 ( -4.033 -0.686 -8.144) 9.114 3.445 ( -2.159 11.457 -5.583) 12.926 3.593 ( 1.715 -4.142 -2.598) 5.182 3.892 ( -1.695 27.946 -1.688) 28.048 4.159 ( -0.981 14.481 0.184) 14.516 4.282 ( -2.638 -11.059 -1.736) 11.501 4.358 ( 7.041 -3.279 -12.652) 14.846 4.498 ( -6.536 6.343 4.781) 10.287 4.551 ( -10.481 1.624 7.187) 12.812 4.704 ( -2.301 5.257 -3.838) 6.904 4.842 ( -3.375 -7.050 1.055) 7.887 4.930 ( 1.614 28.189 1.390) 28.269 5.278 ( 7.187 -2.277 -5.988) 9.628 5.460 ( 8.330 -6.890 -6.552) 12.641 5.586 ( 6.979 -16.356 0.176) 17.783 5.785 ( -1.492 3.228 3.023) 4.668 5.876 ( -1.612 -8.427 5.478) 10.180 6.326 ( -3.850 10.037 6.537) 12.582 6.406 ( -2.167 0.030 7.611) 7.914 6.854 ( 2.981 3.599 -1.853) 5.027 6.963 ( 4.322 -4.668 -1.185) 6.471 7.487 ( 3.972 -0.224 -1.793) 4.364 7.527 ( 1.450 -4.537 1.423) 4.971 8.093 ( 3.623 -0.927 0.733) 3.811 8.140 ( 3.881 -7.111 -0.844) 8.144 8.677 ( -0.691 4.867 2.706) 5.611 8.701 ( 2.618 3.438 -0.725) 4.382 8.978 ( -13.585 -1.427 6.117) 14.967 9.046 ( -9.099 -8.986 6.290) 14.251 9.445 ( 9.560 7.868 3.335) 12.823 9.636 ( 9.713 -9.873 3.557) 14.299 9.935 ( 1.897 7.087 -3.987) 8.350 10.071 ( -0.364 -7.537 -2.587) 7.977 10.576 ( 2.182 5.435 -3.525) 6.836 10.705 ( 6.557 -4.885 1.166) 8.259 10.811 ( -1.415 6.730 0.756) 6.918 11.026 ( -2.850 -11.822 0.923) 12.195 11.322 ( -2.255 7.280 -3.951) 8.585 11.439 ( -3.939 -2.128 -3.142) 5.470 11.662 ( 0.762 4.822 -7.033) 8.561 11.777 ( 1.686 -5.543 -4.147) 7.125 12.089 ( 3.229 10.246 7.273) 12.973 12.280 ( 2.477 -5.699 4.943) 7.940 12.470 ( -0.884 9.309 -0.054) 9.351 12.547 ( 0.134 5.399 -4.631) 7.114 12.844 ( -2.386 2.838 0.507) 3.742 13.015 ( -4.764 -8.159 -4.456) 10.446 13.183 ( -2.317 5.116 2.971) 6.354 13.389 ( -4.548 -11.988 8.138) 15.186 13.775 ( -1.107 3.534 1.777) 4.108 13.893 ( -0.455 -7.962 2.280) 8.295 14.395 ( 2.391 2.361 0.801) 3.454 14.476 ( 3.273 -5.734 -0.943) 6.669 15.845 ( 2.447 20.184 -0.785) 20.347 16.213 ( 1.255 -17.988 -0.413) 18.036 17.569 ( 1.148 12.785 -6.492) 14.385 17.655 ( -0.604 7.016 -1.135) 7.133 17.954 ( 4.712 20.679 -5.798) 21.987 18.314 ( -1.515 -11.828 1.574) 12.029 18.353 ( -6.622 9.775 3.993) 12.464 18.576 ( -6.093 -12.136 -1.529) 13.666 19.621 ( -13.283 27.229 1.035) 30.314 20.037 ( 1.254 -11.515 1.208) 11.645 20.365 ( 4.468 7.080 3.750) 9.174 20.655 ( 1.937 -18.943 4.886) 19.659 23.873 ( -10.908 44.261 -25.389) 52.179 24.603 ( -7.332 -31.621 -17.654) 36.950 25.897 ( 3.984 1.550 7.078) 8.268 25.992 ( 4.172 -9.198 11.443) 15.263 28.043 ( 3.064 8.834 3.122) 9.858 28.240 ( 1.607 -10.560 2.739) 11.028 ======================= Grid point 109 (57/128) ======================= q-point: ( 0.20 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 15.606 11.788 -9.085) 21.565 1.842 ( 10.267 -6.820 -4.702) 13.192 2.238 ( 16.065 9.021 11.432) 21.683 2.376 ( 12.622 -5.030 2.544) 13.824 2.580 ( -10.791 2.558 -9.690) 14.727 2.647 ( -7.414 -4.003 -6.129) 10.419 3.010 ( -3.473 2.760 -6.474) 7.848 3.055 ( -4.462 -1.144 -5.567) 7.225 3.441 ( 2.760 12.706 -0.474) 13.011 3.591 ( -1.954 -3.113 -4.928) 6.148 3.853 ( -2.256 22.214 -0.725) 22.340 4.039 ( -9.636 16.792 5.506) 20.128 4.156 ( -10.296 -6.235 2.217) 12.239 4.318 ( -4.103 -7.627 5.871) 10.463 4.421 ( -2.702 16.930 6.209) 18.234 4.556 ( 5.725 9.198 -11.866) 16.068 4.688 ( 0.470 -1.942 -7.977) 8.224 4.806 ( 0.198 -13.811 0.430) 13.819 4.958 ( 0.758 25.023 0.989) 25.054 5.386 ( 3.428 -10.661 -0.947) 11.239 5.581 ( 4.168 -0.266 0.271) 4.185 5.705 ( 3.729 -12.699 0.859) 13.263 5.839 ( 6.297 -1.743 -0.358) 6.544 5.858 ( 1.288 -2.286 1.905) 3.243 6.262 ( -3.428 10.953 5.478) 12.717 6.375 ( -1.963 -1.746 7.368) 7.822 6.932 ( 5.156 5.908 -3.137) 8.446 7.073 ( 6.544 -7.811 -0.561) 10.205 7.577 ( 3.508 -1.470 1.402) 4.054 7.596 ( 6.914 -2.200 -0.498) 7.272 8.165 ( 3.524 2.145 4.090) 5.809 8.218 ( 4.085 -4.724 0.978) 6.321 8.635 ( -3.564 6.889 1.488) 7.897 8.757 ( -2.653 7.578 4.709) 9.308 8.799 ( 0.464 -7.038 -0.600) 7.079 8.965 ( 0.158 -11.573 5.390) 12.768 9.529 ( -0.467 8.303 2.970) 8.831 9.632 ( -5.773 0.682 -3.007) 6.545 10.013 ( 2.435 -1.191 -0.141) 2.714 10.079 ( 0.422 -6.453 -4.266) 7.747 10.594 ( -0.266 6.017 -4.690) 7.634 10.740 ( -3.825 -4.485 -6.296) 8.624 10.859 ( 6.589 5.254 3.705) 9.206 11.045 ( 3.700 -9.431 2.890) 10.535 11.304 ( 1.851 5.175 -0.363) 5.508 11.395 ( 1.260 -2.204 -0.455) 2.579 11.687 ( 2.164 6.003 -7.150) 9.584 11.828 ( 3.878 -7.698 -5.160) 10.046 12.094 ( -3.595 14.791 5.656) 16.238 12.234 ( -4.061 4.863 6.281) 8.921 12.484 ( -0.133 6.750 -3.187) 7.465 12.581 ( 2.980 -1.227 2.865) 4.312 12.820 ( -1.495 -2.445 -6.531) 7.132 12.909 ( -4.979 -7.390 -6.391) 10.965 13.176 ( 0.923 3.484 1.757) 4.010 13.332 ( -1.936 -10.767 5.178) 12.103 13.753 ( -0.346 3.376 1.424) 3.681 13.870 ( -1.093 -8.248 3.187) 8.910 14.459 ( 4.056 2.639 -0.579) 4.873 14.552 ( 4.082 -6.637 -2.124) 8.076 15.928 ( 6.447 17.889 -0.436) 19.021 16.260 ( 4.098 -16.253 0.476) 16.769 17.582 ( -0.570 16.678 -3.296) 17.010 17.622 ( -1.698 9.391 3.878) 10.302 18.034 ( 2.564 15.659 0.251) 15.870 18.226 ( -5.948 9.030 2.646) 11.132 18.303 ( 1.213 -10.033 -3.324) 10.639 18.436 ( -7.683 -11.146 -0.836) 13.563 19.391 ( -10.148 35.971 0.650) 37.381 20.018 ( -2.391 -24.026 0.563) 24.152 20.422 ( 0.094 9.511 4.014) 10.324 20.674 ( -0.975 -15.140 4.197) 15.741 23.788 ( 2.786 43.083 -12.291) 44.889 24.533 ( 0.986 -33.232 -10.005) 34.719 25.867 ( -8.138 1.902 -0.231) 8.361 25.941 ( -6.064 -5.300 1.398) 8.174 28.109 ( 2.514 6.240 4.996) 8.380 28.274 ( 1.255 -9.545 3.182) 10.139 ======================= Grid point 110 (58/128) ======================= q-point: ( 0.30 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 17.132 5.070 -11.948) 21.494 2.037 ( 8.983 -0.783 -9.084) 12.800 2.373 ( -6.757 6.550 -11.603) 14.939 2.474 ( -2.852 -3.387 -9.056) 10.081 2.508 ( 9.327 5.709 5.022) 12.034 2.620 ( 6.837 -4.664 8.020) 11.525 2.923 ( -4.338 1.560 -6.462) 7.938 2.958 ( -3.511 -1.820 -5.891) 7.095 3.448 ( -6.567 4.265 -8.800) 11.780 3.482 ( -8.038 1.358 -6.896) 10.677 3.804 ( -2.378 10.554 6.014) 12.378 3.933 ( -0.204 18.259 9.567) 20.614 3.978 ( -7.067 2.096 6.791) 10.022 4.287 ( -0.943 -7.019 1.762) 7.298 4.390 ( -0.678 23.346 5.605) 24.019 4.598 ( -0.684 7.654 -2.281) 8.016 4.728 ( 4.574 -0.025 -12.670) 13.470 4.834 ( 1.408 -8.108 1.007) 8.291 4.963 ( 0.591 11.810 -2.342) 12.055 5.392 ( -2.333 -18.605 2.358) 18.898 5.629 ( 0.706 2.954 6.217) 6.919 5.729 ( -0.642 -6.557 4.902) 8.212 5.926 ( 5.384 2.064 -2.041) 6.116 5.982 ( 6.555 -3.749 -2.237) 7.875 6.211 ( -1.878 9.934 3.084) 10.569 6.337 ( -2.556 -3.504 6.051) 7.445 7.043 ( 6.608 6.765 -2.930) 9.901 7.199 ( 6.420 -8.818 0.638) 10.926 7.643 ( 2.766 1.059 2.894) 4.141 7.720 ( 4.924 -5.182 1.734) 7.355 8.222 ( 0.776 6.821 5.597) 8.858 8.284 ( 2.976 0.229 2.858) 4.133 8.591 ( 0.750 2.491 -0.285) 2.617 8.696 ( -1.543 -6.060 0.900) 6.318 8.894 ( 6.033 3.696 -0.099) 7.076 9.028 ( 4.911 -6.942 1.608) 8.654 9.476 ( -3.864 6.243 -0.099) 7.343 9.525 ( -4.084 3.727 -2.432) 6.040 9.968 ( -5.753 1.082 -3.535) 6.839 10.075 ( -0.927 -8.701 0.548) 8.767 10.573 ( -1.134 2.848 -2.206) 3.776 10.657 ( -4.008 -2.787 -1.633) 5.147 10.922 ( 0.166 5.738 0.116) 5.742 11.108 ( 1.820 -9.991 -1.834) 10.320 11.394 ( 6.738 9.938 0.481) 12.016 11.511 ( 8.963 -1.448 -0.873) 9.121 11.723 ( 1.998 7.993 -6.138) 10.273 11.900 ( 3.539 -10.225 -5.449) 12.115 12.004 ( -4.387 16.092 2.774) 16.908 12.180 ( -2.702 3.366 8.141) 9.215 12.471 ( -0.429 6.684 -4.888) 8.292 12.609 ( -0.987 1.067 2.950) 3.289 12.748 ( -4.404 -5.363 -9.166) 11.497 12.825 ( -3.263 -9.324 -7.109) 12.170 13.187 ( -0.702 2.368 4.375) 5.024 13.311 ( -1.249 -9.726 5.133) 11.068 13.792 ( 4.479 3.155 -0.539) 5.505 13.894 ( 3.722 -7.267 0.992) 8.225 14.532 ( 3.187 1.297 -1.271) 3.668 14.620 ( 3.137 -7.223 -1.890) 8.099 16.088 ( 9.935 15.922 -0.487) 18.773 16.377 ( 7.523 -13.523 0.194) 15.476 17.512 ( -5.021 17.252 8.083) 19.702 17.627 ( 0.032 3.495 5.153) 6.226 18.022 ( -3.003 20.648 -0.108) 20.865 18.156 ( -2.111 7.700 5.244) 9.553 18.300 ( -6.025 -7.165 0.068) 9.362 18.369 ( 5.528 -11.373 -9.184) 15.629 19.229 ( -7.041 40.882 0.692) 41.489 19.962 ( -3.330 -27.977 0.525) 28.180 20.387 ( -3.116 8.407 2.833) 9.403 20.621 ( -4.543 -13.313 2.639) 14.313 23.905 ( 8.552 38.267 -2.955) 39.323 24.598 ( 5.469 -31.864 -3.194) 32.487 25.645 ( -11.980 9.214 -5.718) 16.159 25.830 ( -5.324 -9.164 -2.970) 11.007 28.127 ( -1.050 5.765 4.141) 7.176 28.282 ( -0.769 -9.042 2.467) 9.404 ======================= Grid point 111 (59/128) ======================= q-point: ( 0.40 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 0.009 4.791 -11.158) 12.144 2.183 ( 2.923 -2.960 -6.911) 8.067 2.381 ( 7.061 5.168 -13.640) 16.206 2.473 ( 2.998 -4.056 -10.346) 11.509 2.607 ( 3.246 7.313 -1.366) 8.117 2.721 ( 2.962 -4.009 2.320) 5.498 2.898 ( 2.438 4.338 -2.523) 5.579 2.970 ( 5.084 -2.666 -2.048) 6.094 3.221 ( -12.293 5.037 -9.173) 16.144 3.273 ( -12.521 -0.389 -8.200) 14.972 3.783 ( -1.036 7.078 8.566) 11.161 3.875 ( -4.779 2.527 8.153) 9.782 3.977 ( 0.937 21.195 5.748) 21.981 4.280 ( 1.030 -2.584 3.606) 4.554 4.398 ( 0.188 13.835 -1.104) 13.880 4.557 ( -3.367 -1.862 1.146) 4.015 4.792 ( 0.857 19.183 -2.748) 19.398 4.845 ( 1.902 7.844 -4.733) 9.357 5.014 ( 5.011 -10.074 -6.907) 13.202 5.339 ( -2.381 -20.922 2.875) 21.253 5.617 ( -2.598 2.498 9.427) 10.092 5.701 ( -2.854 -4.363 8.078) 9.614 6.014 ( 3.565 3.003 -0.690) 4.712 6.073 ( 3.365 -1.499 -1.143) 3.857 6.209 ( 1.363 5.280 1.212) 5.586 6.296 ( -1.839 -3.152 3.285) 4.910 7.172 ( 6.718 5.925 -1.913) 9.159 7.312 ( 5.058 -7.509 1.355) 9.154 7.672 ( -0.335 2.162 4.769) 5.247 7.769 ( 0.019 -6.319 4.521) 7.770 8.186 ( -3.461 10.921 3.540) 11.990 8.344 ( 1.778 -1.373 3.826) 4.436 8.661 ( 5.216 0.144 -2.729) 5.888 8.702 ( 1.970 -4.634 -1.627) 5.291 8.991 ( 3.121 5.617 -2.740) 6.986 9.116 ( 3.387 -3.800 -2.414) 5.634 9.427 ( -1.134 5.164 0.504) 5.311 9.490 ( 1.459 2.260 0.593) 2.754 9.847 ( -5.139 4.333 -1.694) 6.932 10.032 ( -3.682 -11.608 1.498) 12.270 10.559 ( -0.020 0.017 -0.507) 0.507 10.596 ( -1.927 -2.034 0.760) 2.903 10.912 ( -0.581 7.750 0.675) 7.801 11.121 ( 0.341 -11.442 -0.724) 11.470 11.495 ( 2.664 17.995 -1.712) 18.271 11.669 ( 6.616 1.171 -5.673) 8.793 11.750 ( 1.600 9.899 -3.522) 10.628 11.932 ( 0.531 -6.710 -3.883) 7.771 11.992 ( 3.347 7.130 -2.826) 8.368 12.123 ( -4.227 1.167 5.430) 6.980 12.433 ( -4.664 2.482 -0.759) 5.338 12.556 ( -5.307 -5.593 1.439) 7.843 12.662 ( -0.692 3.657 -13.825) 14.317 12.809 ( 2.155 -10.413 -5.434) 11.941 13.165 ( -1.600 1.842 5.964) 6.444 13.288 ( -1.423 -9.839 6.478) 11.866 13.900 ( 5.978 4.221 -0.332) 7.326 13.995 ( 5.995 -5.949 -0.828) 8.486 14.572 ( 1.260 0.367 -1.439) 1.948 14.664 ( 1.434 -8.795 -1.723) 9.076 16.282 ( 9.278 13.767 -0.850) 16.623 16.502 ( 4.145 -8.327 -0.214) 9.304 17.443 ( -2.724 15.291 11.285) 19.199 17.604 ( -2.968 -4.417 10.170) 11.478 17.967 ( -2.103 19.576 -4.052) 20.101 18.114 ( -3.565 6.122 3.417) 7.865 18.206 ( -2.971 4.254 0.945) 5.275 18.478 ( 5.915 -12.806 -6.996) 15.746 19.124 ( -3.726 44.235 1.256) 44.409 19.898 ( -3.077 -25.084 0.792) 25.284 20.341 ( -1.376 1.973 1.593) 2.885 20.527 ( -4.748 -11.352 1.028) 12.348 24.059 ( 6.535 34.587 1.639) 35.237 24.703 ( 4.891 -30.176 1.157) 30.592 25.459 ( -6.096 15.238 -6.643) 17.706 25.747 ( -2.734 -13.671 -4.214) 14.564 28.087 ( -3.028 6.755 1.773) 7.612 28.253 ( -2.082 -9.318 0.943) 9.595 ======================= Grid point 112 (60/128) ======================= q-point: (-0.50 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 1.288 4.631 -7.912) 9.257 2.189 ( -0.738 -3.672 -5.445) 6.609 2.429 ( -2.100 3.257 -10.399) 11.097 2.473 ( 3.134 -1.255 -15.534) 15.897 2.730 ( 2.205 4.151 -5.364) 7.132 2.802 ( 5.989 -2.689 -2.200) 6.924 2.890 ( -6.878 3.820 -4.206) 8.921 2.950 ( -7.684 -1.227 -4.188) 8.837 3.086 ( 1.171 5.930 -7.828) 9.890 3.169 ( 5.229 -2.568 -1.614) 6.045 3.769 ( -0.560 6.765 11.169) 13.070 3.815 ( -1.580 6.114 7.888) 10.104 3.973 ( -0.488 22.286 5.402) 22.937 4.289 ( -3.428 -5.430 1.818) 6.674 4.371 ( -2.754 7.442 -6.137) 10.031 4.485 ( -2.523 -4.845 -1.499) 5.665 4.769 ( -1.642 29.347 3.372) 29.586 4.912 ( 4.242 9.093 -8.785) 13.336 5.117 ( 6.015 -11.601 -6.140) 14.438 5.329 ( 1.009 -19.030 2.680) 19.244 5.549 ( -5.052 0.288 9.653) 10.899 5.636 ( -4.587 -5.226 9.802) 12.018 6.071 ( 2.751 2.193 0.929) 3.639 6.126 ( 2.222 -1.937 0.620) 3.012 6.242 ( 1.596 2.378 1.886) 3.429 6.274 ( -0.638 -0.727 1.341) 1.653 7.281 ( 4.287 4.822 -0.825) 6.505 7.389 ( 2.700 -4.402 2.183) 5.607 7.639 ( -3.288 2.543 5.810) 7.144 7.741 ( -2.910 -6.529 4.883) 8.657 8.136 ( -1.567 13.113 1.465) 13.287 8.346 ( -1.477 -4.762 2.729) 5.683 8.719 ( -1.094 -0.549 -2.620) 2.891 8.733 ( 1.015 -1.166 -3.463) 3.792 9.011 ( 0.128 2.458 -3.905) 4.616 9.122 ( -2.363 -6.152 -5.578) 8.634 9.467 ( 5.901 11.617 3.348) 13.453 9.530 ( -0.137 10.075 3.209) 10.574 9.843 ( 6.304 -5.039 1.824) 8.274 9.952 ( -3.932 -11.842 0.146) 12.479 10.569 ( 0.774 -1.303 0.451) 1.581 10.588 ( 0.663 -2.447 1.392) 2.893 10.913 ( 0.808 9.437 2.016) 9.684 11.135 ( 1.333 -11.210 1.454) 11.382 11.485 ( -2.923 22.449 -4.295) 23.042 11.735 ( 1.501 2.702 -7.861) 8.447 11.797 ( 2.163 5.270 -2.975) 6.427 11.926 ( -1.161 -2.866 -3.095) 4.375 12.004 ( -4.754 5.667 -1.742) 7.599 12.114 ( 5.871 4.571 -4.044) 8.469 12.277 ( -10.681 -1.326 0.810) 10.793 12.454 ( -2.908 -16.119 -1.999) 16.501 12.710 ( 4.734 8.792 -9.432) 13.736 12.879 ( 5.217 -9.035 -4.164) 11.233 13.148 ( -0.580 1.755 6.511) 6.768 13.273 ( -0.705 -10.000 6.608) 12.007 13.996 ( 3.564 5.434 1.773) 6.736 14.097 ( 4.191 -5.313 -0.089) 6.768 14.582 ( -0.000 -0.590 -1.361) 1.484 14.668 ( -0.727 -9.275 -2.341) 9.594 16.384 ( -0.284 10.673 -1.131) 10.736 16.523 ( -0.869 -3.036 -0.254) 3.169 17.391 ( -5.140 15.369 10.245) 19.172 17.546 ( -3.945 -4.460 9.189) 10.949 17.943 ( -0.267 7.668 -2.650) 8.117 18.041 ( -1.641 -2.231 -0.127) 2.772 18.201 ( 1.534 22.321 1.062) 22.399 18.571 ( 4.016 -13.633 -3.395) 14.612 19.091 ( -0.000 45.830 1.621) 45.859 19.863 ( -0.368 -21.470 0.765) 21.487 20.340 ( 0.855 -4.356 1.483) 4.680 20.466 ( -1.086 -9.109 0.134) 9.175 24.143 ( 2.266 34.089 3.324) 34.326 24.779 ( 2.957 -29.702 3.546) 30.059 25.401 ( -0.075 16.653 -5.979) 17.694 25.715 ( -0.669 -14.895 -4.480) 15.569 28.031 ( -2.446 7.982 -0.286) 8.353 28.216 ( -1.520 -9.998 -0.370) 10.120 ======================= Grid point 113 (61/128) ======================= q-point: (-0.40 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -6.211 3.673 -10.607) 12.829 2.134 ( -4.336 -2.120 -6.465) 8.068 2.425 ( 1.778 5.474 -12.392) 13.664 2.511 ( -0.990 -2.818 -7.114) 7.716 2.658 ( -1.734 4.872 -16.975) 17.745 2.721 ( -5.796 -0.429 -7.847) 9.765 2.824 ( -2.161 0.978 -1.664) 2.897 2.899 ( -0.123 -5.020 3.043) 5.871 3.204 ( 7.590 5.058 -2.525) 9.464 3.252 ( 2.533 -0.119 0.517) 2.588 3.824 ( 3.950 11.020 6.287) 13.288 3.834 ( 3.619 11.199 6.696) 13.541 3.982 ( -0.103 10.390 9.759) 14.255 4.133 ( -9.965 3.090 -0.617) 10.451 4.301 ( -2.410 3.350 -10.352) 11.144 4.480 ( 1.130 -8.691 -4.299) 9.762 4.750 ( -0.441 32.668 2.251) 32.748 4.979 ( 3.527 6.072 -6.792) 9.769 5.223 ( 4.796 -8.631 -4.116) 10.697 5.329 ( -3.663 -2.985 5.018) 6.893 5.481 ( -1.108 -11.837 6.425) 13.514 5.558 ( -3.397 -8.879 7.152) 11.896 6.113 ( 0.614 -0.887 -0.276) 1.113 6.142 ( -0.891 -3.433 2.070) 4.106 6.279 ( 1.202 1.995 3.773) 4.434 6.284 ( 3.002 2.110 3.884) 5.343 7.318 ( -0.627 5.924 0.625) 5.990 7.411 ( -1.078 -0.472 4.565) 4.714 7.570 ( -4.033 2.436 4.730) 6.676 7.684 ( -2.814 -8.073 1.694) 8.715 8.125 ( -0.365 12.972 0.702) 12.997 8.299 ( -3.509 -2.272 1.856) 4.573 8.640 ( -6.843 -0.388 -2.762) 7.389 8.695 ( -2.813 -7.795 -2.898) 8.779 8.989 ( -2.548 1.041 -1.021) 2.936 9.066 ( -2.270 -6.391 -3.182) 7.491 9.488 ( -2.828 15.930 0.808) 16.199 9.621 ( 6.976 8.665 5.699) 12.499 9.918 ( 1.766 -4.663 -2.200) 5.450 10.051 ( 13.109 -11.184 4.064) 17.704 10.581 ( -0.028 -2.146 0.142) 2.151 10.604 ( 0.842 -2.416 1.659) 3.049 10.951 ( 2.662 10.661 2.415) 11.251 11.171 ( 1.411 -8.109 1.071) 8.301 11.399 ( -4.940 15.702 -6.012) 17.524 11.657 ( -9.985 -7.527 -9.333) 15.603 11.820 ( 0.947 6.836 -1.807) 7.134 11.878 ( -1.802 10.275 -2.522) 10.733 11.968 ( -0.166 5.373 -0.148) 5.378 12.055 ( -8.804 3.123 -0.976) 9.392 12.235 ( 4.514 -2.212 -6.779) 8.440 12.459 ( 3.199 -17.715 -3.031) 18.255 12.801 ( 5.243 10.334 -5.200) 12.701 12.993 ( 6.880 -8.563 -3.150) 11.427 13.156 ( 1.033 0.575 6.635) 6.740 13.267 ( -0.626 -9.575 5.757) 11.190 14.027 ( -0.883 6.124 4.368) 7.574 14.140 ( -0.141 -5.617 2.951) 6.347 14.571 ( -1.099 -1.251 -1.330) 2.131 14.642 ( -1.364 -8.276 -3.028) 8.917 16.277 ( -8.844 12.987 -1.114) 15.752 16.481 ( -4.138 -7.234 -0.908) 8.383 17.269 ( -6.635 16.593 5.586) 18.723 17.458 ( -5.447 -4.917 5.788) 9.346 17.947 ( 1.793 8.563 -1.682) 8.909 18.096 ( 5.052 -2.911 -0.084) 5.831 18.250 ( 3.774 21.414 1.556) 21.800 18.623 ( 1.533 -13.571 -0.499) 13.666 19.118 ( 2.490 45.531 0.793) 45.606 19.884 ( 2.215 -22.780 0.418) 22.891 20.369 ( 2.141 -2.750 2.405) 4.234 20.490 ( 3.190 -9.527 0.089) 10.048 24.179 ( 2.019 35.842 6.145) 36.421 24.835 ( 2.931 -30.207 5.986) 30.934 25.408 ( 0.459 15.143 -9.215) 17.732 25.692 ( -1.791 -13.455 -6.833) 15.196 28.002 ( -0.399 8.761 -0.545) 8.787 28.201 ( -0.079 -10.567 -0.575) 10.583 ======================= Grid point 114 (62/128) ======================= q-point: (-0.30 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -16.535 9.381 -15.552) 24.562 1.985 ( -10.850 -6.152 -9.286) 15.550 2.375 ( -8.190 0.929 1.184) 8.327 2.387 ( -9.651 -0.405 -1.633) 9.797 2.663 ( 5.154 11.475 -12.247) 17.556 2.785 ( 8.558 3.604 -12.117) 15.266 2.871 ( 8.478 -6.687 -15.573) 18.950 2.893 ( 0.549 -6.472 1.916) 6.772 3.262 ( -1.812 4.508 1.498) 5.084 3.299 ( 1.909 0.584 2.162) 2.943 3.813 ( -4.231 18.166 1.036) 18.681 3.916 ( -1.901 5.374 7.745) 9.617 3.959 ( 0.756 4.653 9.668) 10.756 4.067 ( 5.315 8.520 -7.367) 12.455 4.332 ( 6.087 3.032 -4.486) 8.147 4.511 ( 3.175 -7.390 -6.421) 10.292 4.761 ( 1.492 33.804 0.933) 33.849 5.039 ( 3.174 3.857 -6.130) 7.908 5.210 ( -7.429 6.189 4.016) 10.471 5.251 ( -2.513 -6.786 1.921) 7.486 5.477 ( -0.582 -12.958 1.762) 13.090 5.563 ( 2.845 -18.738 2.077) 19.066 6.063 ( -4.925 -0.209 0.630) 4.969 6.107 ( -3.440 -5.029 2.948) 6.769 6.329 ( 3.238 3.332 5.863) 7.481 6.361 ( 4.100 0.796 6.773) 7.957 7.255 ( -6.002 10.084 1.536) 11.835 7.356 ( -4.655 1.745 6.710) 8.350 7.501 ( -3.323 2.538 1.266) 4.369 7.640 ( -2.302 -10.212 -1.523) 10.579 8.086 ( -3.866 7.901 1.349) 8.899 8.221 ( -5.225 -4.493 1.381) 7.028 8.514 ( -3.403 4.087 -2.769) 5.996 8.667 ( 0.236 -10.488 -1.534) 10.602 8.920 ( -4.451 3.618 1.139) 5.848 9.027 ( -1.761 -7.646 1.562) 8.000 9.450 ( -0.732 13.789 -0.924) 13.839 9.677 ( -0.722 -6.861 1.262) 7.013 10.036 ( 8.635 12.211 1.398) 15.021 10.290 ( 9.552 -11.555 6.045) 16.165 10.556 ( -1.871 2.434 -1.281) 3.326 10.650 ( 4.691 -4.726 -1.126) 6.754 10.976 ( -3.075 9.739 0.872) 10.250 11.115 ( -6.939 1.888 -5.138) 8.839 11.343 ( -2.552 -1.565 0.008) 2.994 11.424 ( -8.130 -6.270 -6.008) 11.896 11.807 ( -1.596 7.332 -2.229) 7.828 11.843 ( -2.163 13.184 -3.794) 13.889 11.939 ( -1.898 -0.168 0.679) 2.023 12.000 ( 1.956 -2.248 -0.776) 3.079 12.298 ( 2.960 4.515 -6.760) 8.651 12.542 ( 4.893 -14.696 -1.159) 15.533 12.896 ( 4.732 11.735 -3.743) 13.195 13.124 ( 5.710 -8.797 -0.710) 10.511 13.209 ( 4.161 -2.424 6.066) 7.745 13.266 ( 1.219 -6.926 3.678) 7.936 13.967 ( -5.723 5.745 6.255) 10.241 14.090 ( -5.385 -6.640 6.697) 10.860 14.533 ( -2.853 0.582 -1.478) 3.266 14.619 ( -0.902 -7.953 -2.649) 8.431 16.096 ( -9.085 15.459 -0.494) 17.938 16.365 ( -7.127 -11.345 -0.438) 13.405 17.207 ( 0.837 13.988 -1.035) 14.052 17.385 ( -1.565 -4.848 -0.280) 5.102 18.000 ( 3.012 15.474 -1.216) 15.812 18.156 ( 0.999 12.050 2.290) 12.306 18.369 ( 8.118 1.388 1.768) 8.423 18.631 ( -0.634 -12.877 1.842) 13.023 19.184 ( 4.545 42.766 -1.036) 43.019 19.931 ( 2.362 -26.809 -0.371) 26.915 20.427 ( 3.254 2.098 3.862) 5.468 20.566 ( 4.150 -10.252 1.309) 11.138 24.269 ( 7.661 36.805 11.479) 39.307 24.920 ( 5.701 -29.182 9.250) 31.139 25.367 ( -4.396 13.451 -18.099) 22.975 25.617 ( -5.521 -11.875 -12.107) 17.835 28.012 ( 1.084 8.726 1.095) 8.861 28.208 ( 0.669 -10.540 0.416) 10.570 ======================= Grid point 115 (63/128) ======================= q-point: (-0.20 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -14.749 15.143 -12.134) 24.374 1.754 ( -10.595 -10.963 -6.675) 16.643 2.101 ( -17.697 5.851 6.571) 19.763 2.198 ( -11.495 -4.556 -1.049) 12.409 2.806 ( 7.344 7.193 -2.360) 10.547 2.871 ( -0.007 1.597 -1.184) 1.988 2.966 ( 8.254 4.550 -16.408) 18.922 3.072 ( 10.507 -4.070 -21.688) 24.440 3.210 ( 0.613 4.797 -1.754) 5.144 3.315 ( 0.466 -4.501 1.258) 4.696 3.785 ( 1.919 15.996 2.864) 16.363 3.872 ( -0.443 5.342 2.955) 6.121 4.001 ( 2.525 9.974 3.139) 10.757 4.208 ( 7.236 3.228 -2.973) 8.463 4.446 ( 5.053 6.499 1.410) 8.352 4.620 ( 8.402 -2.797 -7.733) 11.756 4.803 ( 2.615 30.002 -0.132) 30.116 5.057 ( -3.348 7.783 0.505) 8.487 5.107 ( -0.865 2.789 -5.280) 6.034 5.152 ( -7.214 -6.382 6.066) 11.383 5.447 ( -3.024 -13.223 -5.400) 14.599 5.608 ( 0.626 -23.054 1.901) 23.141 5.954 ( -5.915 2.443 3.355) 7.225 6.025 ( -4.868 -4.905 5.137) 8.611 6.392 ( 2.500 3.232 7.420) 8.471 6.437 ( 2.740 -0.056 8.284) 8.726 7.098 ( -9.996 14.068 -0.647) 17.270 7.251 ( -7.226 -0.258 5.627) 9.162 7.452 ( -1.600 2.703 -1.141) 3.342 7.581 ( -3.365 -9.624 -0.983) 10.243 8.022 ( -2.079 0.511 1.579) 2.660 8.103 ( -5.681 -7.508 -1.022) 9.470 8.536 ( 4.728 7.988 -0.968) 9.333 8.706 ( 3.731 -8.939 -1.069) 9.746 8.837 ( -3.060 7.059 3.627) 8.506 8.993 ( -2.099 -8.930 4.389) 10.169 9.454 ( 0.606 8.355 -1.390) 8.491 9.642 ( -2.508 -10.071 -2.412) 10.656 10.162 ( 2.529 13.133 4.810) 14.213 10.340 ( -5.326 -6.456 6.541) 10.622 10.562 ( 2.739 6.266 -4.037) 7.941 10.759 ( -1.458 -11.532 -7.794) 13.995 10.813 ( -4.733 7.359 -0.150) 8.751 10.940 ( -7.578 -3.725 -0.146) 8.445 11.289 ( 2.488 7.002 -1.537) 7.589 11.424 ( 1.444 -2.473 0.216) 2.872 11.783 ( -0.417 0.788 -2.623) 2.770 11.818 ( -0.499 8.351 -2.417) 8.708 11.893 ( -2.391 -0.747 -2.272) 3.382 12.052 ( 2.421 -6.520 -0.979) 7.024 12.355 ( 3.739 12.765 -3.920) 13.867 12.621 ( 2.912 -10.197 1.175) 10.670 12.965 ( 2.577 8.186 -2.178) 8.854 13.160 ( -1.068 -9.499 1.468) 9.671 13.316 ( 6.716 -0.180 5.691) 8.805 13.362 ( 5.860 -3.336 3.916) 7.797 13.841 ( -6.581 3.174 4.845) 8.767 13.960 ( -8.274 -7.862 8.257) 14.087 14.463 ( -4.049 3.956 -0.701) 5.704 14.589 ( -2.362 -8.894 -1.352) 9.302 15.947 ( -6.248 17.046 0.019) 18.155 16.245 ( -4.596 -12.818 -0.133) 13.618 17.293 ( 7.529 8.966 -6.586) 13.434 17.413 ( 4.648 -3.015 -5.727) 7.968 18.022 ( -1.418 23.346 -1.649) 23.447 18.180 ( 2.379 13.906 3.954) 14.652 18.522 ( 6.426 -8.057 0.142) 10.307 18.606 ( -1.797 -10.181 4.558) 11.299 19.306 ( 8.767 36.229 -2.232) 37.341 19.972 ( 2.127 -26.957 -0.997) 27.059 20.475 ( 0.430 4.547 5.430) 7.095 20.632 ( 2.091 -11.183 3.268) 11.837 24.526 ( 18.227 32.845 15.672) 40.702 25.063 ( 4.363 -17.534 4.124) 18.533 25.205 ( -6.604 7.977 -20.484) 22.953 25.457 ( -9.593 -12.855 -16.691) 23.149 28.033 ( 0.703 8.238 2.779) 8.722 28.220 ( 0.295 -10.092 1.627) 10.227 ======================= Grid point 116 (64/128) ======================= q-point: (-0.10 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.408 18.207 0.224) 18.213 1.631 ( -1.164 -12.568 2.938) 12.959 1.753 ( -17.817 11.545 7.381) 22.477 1.968 ( -11.035 -10.622 -2.475) 15.515 2.835 ( -2.359 6.236 -2.803) 7.232 2.875 ( 0.636 0.527 -0.857) 1.190 3.058 ( 1.718 14.654 -3.168) 15.091 3.210 ( 6.002 -0.542 -18.116) 19.092 3.338 ( 6.782 -1.050 -12.889) 14.602 3.374 ( 9.031 -4.892 -7.120) 12.497 3.853 ( 4.145 22.328 -0.996) 22.731 3.941 ( 6.706 4.101 4.171) 8.899 4.058 ( 3.717 6.592 -1.814) 7.782 4.308 ( 3.227 -5.834 -0.785) 6.713 4.536 ( 4.140 16.037 -0.325) 16.566 4.765 ( 5.347 9.297 -0.968) 10.769 4.852 ( 2.629 16.796 -1.454) 17.062 4.971 ( -6.276 2.212 2.742) 7.197 5.005 ( -6.357 -3.402 5.676) 9.177 5.110 ( 0.423 3.675 -8.315) 9.101 5.357 ( -4.577 -13.192 -8.709) 16.457 5.567 ( -4.534 -23.136 1.295) 23.612 5.879 ( -1.744 1.421 5.616) 6.050 5.940 ( -4.538 -3.598 6.070) 8.390 6.434 ( 0.971 2.785 8.298) 8.806 6.464 ( -1.117 2.260 8.185) 8.565 6.910 ( -7.945 11.655 -2.651) 14.352 7.087 ( -9.392 -3.095 2.378) 10.170 7.438 ( -0.018 2.009 -1.902) 2.767 7.533 ( -1.510 -7.573 1.470) 7.861 8.011 ( 0.402 -3.093 -0.063) 3.120 8.042 ( -0.210 -7.352 -2.982) 7.937 8.634 ( 3.387 7.162 1.252) 8.021 8.721 ( -1.253 -0.702 -0.829) 1.658 8.937 ( 12.615 -0.390 5.540) 13.784 8.995 ( 4.556 -5.602 4.544) 8.532 9.428 ( -4.673 2.851 0.989) 5.562 9.547 ( -8.704 -8.754 -1.446) 12.429 10.101 ( -8.130 8.211 -0.014) 11.555 10.200 ( -6.945 -3.292 6.242) 9.901 10.574 ( -0.644 -1.874 -1.878) 2.730 10.601 ( -5.628 -3.913 -3.719) 7.799 10.790 ( 1.631 10.216 0.328) 10.350 11.019 ( 6.979 -9.977 -1.249) 12.240 11.366 ( 3.222 10.673 -4.749) 12.118 11.440 ( 1.810 4.012 0.026) 4.401 11.746 ( -3.573 0.674 -4.464) 5.757 11.791 ( -2.032 -4.532 -2.040) 5.370 11.913 ( 4.783 3.445 -0.994) 5.978 12.080 ( 1.226 -9.871 -0.004) 9.947 12.432 ( 4.170 15.302 -2.305) 16.027 12.643 ( -0.957 -3.601 1.150) 3.899 12.985 ( -0.869 3.896 1.397) 4.229 13.127 ( -2.131 -8.951 -0.434) 9.212 13.377 ( -4.456 6.562 10.866) 13.453 13.458 ( 4.870 -1.943 7.683) 9.301 13.787 ( 0.174 -4.203 1.310) 4.406 13.822 ( -4.221 -7.230 2.818) 8.834 14.391 ( -3.020 5.194 0.547) 6.033 14.526 ( -3.884 -8.766 0.541) 9.603 15.859 ( -3.021 19.309 -0.379) 19.548 16.196 ( -0.781 -15.075 -1.049) 15.131 17.441 ( 7.662 6.710 -8.610) 13.336 17.527 ( 6.662 -1.626 -7.461) 10.134 17.959 ( -3.954 28.429 -1.509) 28.742 18.255 ( 4.555 6.263 1.680) 7.924 18.532 ( -3.587 -6.033 4.039) 8.098 18.638 ( 2.841 -8.907 0.382) 9.357 19.522 ( 13.603 26.805 -1.847) 30.116 20.014 ( 1.872 -19.429 -0.262) 19.520 20.425 ( -6.036 6.356 5.780) 10.500 20.645 ( -0.968 -15.175 4.755) 15.932 24.716 ( -18.157 24.784 -38.915) 49.581 24.996 ( 8.351 3.961 6.155) 11.104 25.256 ( 4.251 -6.279 -5.482) 9.356 25.418 ( 14.108 -13.585 14.778) 24.535 28.034 ( -0.874 8.336 2.526) 8.754 28.220 ( -0.297 -10.042 2.082) 10.260 ======================= Grid point 147 (65/128) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 1.069 0.000 7.116) 7.196 0.993 ( -9.306 0.000 22.438) 24.291 1.047 ( 1.452 0.000 9.505) 9.616 1.913 ( 12.261 0.000 43.228) 44.933 1.921 ( 1.430 0.000 -16.320) 16.383 2.191 ( -1.757 0.000 1.648) 2.409 2.313 ( 4.739 0.000 12.499) 13.368 2.624 ( -4.888 0.000 -24.323) 24.810 2.771 ( -1.776 0.000 -2.318) 2.920 3.202 ( 3.400 0.000 -14.609) 15.000 3.515 ( 1.754 0.000 -7.286) 7.494 3.534 ( 11.076 0.000 -6.633) 12.910 3.804 ( -6.769 0.000 -14.015) 15.565 3.933 ( 3.443 0.000 -6.030) 6.944 4.024 ( -1.053 0.000 -4.514) 4.635 4.301 ( -7.805 0.000 1.316) 7.915 4.658 ( 15.645 0.000 5.809) 16.689 4.664 ( 1.445 0.000 2.661) 3.028 4.910 ( -21.618 0.000 3.144) 21.845 5.069 ( -3.812 0.000 -3.298) 5.041 5.352 ( 5.942 0.000 -4.337) 7.357 5.623 ( 2.881 0.000 5.745) 6.427 5.850 ( -2.073 0.000 -5.774) 6.135 6.485 ( -1.582 0.000 9.842) 9.968 6.520 ( 2.586 0.000 3.245) 4.149 6.800 ( 3.308 0.000 5.389) 6.323 6.866 ( -3.564 0.000 2.085) 4.129 7.119 ( -5.186 0.000 3.025) 6.004 7.700 ( 6.267 0.000 -1.175) 6.376 7.845 ( 1.717 0.000 -0.797) 1.893 7.927 ( -9.101 0.000 -3.629) 9.798 8.034 ( -1.192 0.000 -9.456) 9.531 8.557 ( 3.487 0.000 4.362) 5.584 8.664 ( -5.000 0.000 1.643) 5.263 8.882 ( 7.341 0.000 -4.382) 8.550 9.244 ( -1.800 0.000 -6.010) 6.273 9.407 ( -2.422 0.000 7.262) 7.655 9.882 ( -0.052 0.000 -1.731) 1.732 9.986 ( 20.292 0.000 12.432) 23.797 10.373 ( 8.044 0.000 14.584) 16.656 10.473 ( -8.020 0.000 -8.917) 11.994 10.668 ( -5.973 0.000 0.524) 5.996 10.794 ( -2.748 0.000 1.470) 3.117 10.873 ( 1.595 0.000 5.081) 5.325 11.069 ( -2.897 0.000 -10.766) 11.149 11.145 ( -3.284 0.000 -0.651) 3.348 11.501 ( -6.136 0.000 -6.561) 8.983 11.607 ( 1.152 0.000 -2.058) 2.358 11.718 ( 2.619 0.000 2.122) 3.371 11.915 ( 4.473 0.000 1.824) 4.830 12.484 ( 12.065 0.000 -0.179) 12.066 12.608 ( -14.684 0.000 -3.964) 15.209 12.897 ( -10.553 0.000 10.233) 14.700 13.181 ( 6.904 0.000 -2.186) 7.242 13.735 ( 2.970 0.000 -1.846) 3.497 14.069 ( -1.564 0.000 3.387) 3.731 14.185 ( 2.303 0.000 -1.908) 2.991 14.269 ( 2.648 0.000 2.824) 3.871 14.294 ( -3.343 0.000 12.038) 12.493 14.726 ( 1.560 0.000 -7.405) 7.568 14.884 ( -0.625 0.000 -0.892) 1.089 15.779 ( -12.428 0.000 1.422) 12.509 16.487 ( 4.570 0.000 -6.244) 7.738 17.461 ( 5.155 0.000 -6.561) 8.344 17.724 ( 0.169 0.000 0.010) 0.169 17.980 ( -45.067 0.000 -0.443) 45.069 18.149 ( 0.571 0.000 0.065) 0.574 18.756 ( -4.666 0.000 4.659) 6.594 19.325 ( -11.368 0.000 0.989) 11.411 19.524 ( 18.713 0.000 -6.393) 19.775 20.547 ( -0.197 0.000 -0.108) 0.224 20.729 ( -3.499 0.000 5.528) 6.542 21.339 ( 0.824 0.000 1.412) 1.635 25.367 ( -3.389 0.000 -7.237) 7.991 25.919 ( 1.573 0.000 1.015) 1.872 26.972 ( 37.268 0.000 -0.747) 37.276 27.843 ( 1.338 0.000 0.773) 1.545 28.565 ( 0.738 0.000 2.684) 2.783 ======================= Grid point 148 (66/128) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -13.299 0.000 22.257) 25.928 0.835 ( 0.278 0.000 3.065) 3.078 1.155 ( 8.624 0.000 7.465) 11.406 1.946 ( 2.119 0.000 -13.519) 13.684 2.176 ( -0.051 0.000 -1.342) 1.343 2.378 ( 26.547 0.000 30.626) 40.531 2.415 ( -13.147 0.000 -20.996) 24.773 2.422 ( 5.296 0.000 10.784) 12.014 2.763 ( 1.438 0.000 -2.408) 2.805 3.248 ( 1.527 0.000 -9.372) 9.496 3.557 ( -13.847 0.000 -4.088) 14.438 3.577 ( 5.774 0.000 -10.459) 11.947 3.730 ( 2.168 0.000 -7.510) 7.817 3.939 ( -8.650 0.000 -8.293) 11.984 4.007 ( 7.370 0.000 -15.810) 17.443 4.265 ( 4.335 0.000 4.938) 6.571 4.500 ( -17.705 0.000 0.280) 17.707 4.651 ( -1.665 0.000 -1.133) 2.014 4.964 ( -5.271 0.000 3.309) 6.224 4.979 ( 16.666 0.000 8.360) 18.645 5.501 ( 9.158 0.000 -3.767) 9.902 5.775 ( 7.624 0.000 4.752) 8.984 5.844 ( 2.455 0.000 -4.578) 5.194 6.431 ( -4.989 0.000 10.560) 11.680 6.501 ( -4.505 0.000 0.416) 4.524 6.780 ( -3.448 0.000 4.711) 5.838 6.889 ( 2.444 0.000 2.639) 3.597 7.121 ( 4.478 0.000 3.197) 5.502 7.582 ( -20.048 0.000 7.507) 21.408 7.781 ( 0.270 0.000 5.448) 5.455 7.903 ( 1.123 0.000 1.085) 1.562 8.033 ( 4.113 0.000 -15.763) 16.291 8.555 ( -3.578 0.000 -0.947) 3.701 8.644 ( 2.192 0.000 3.338) 3.993 8.834 ( -5.261 0.000 -1.688) 5.525 9.321 ( 4.048 0.000 -4.818) 6.292 9.343 ( -4.997 0.000 8.101) 9.518 9.787 ( -7.330 0.000 0.231) 7.334 10.219 ( -8.201 0.000 -6.146) 10.248 10.323 ( 1.001 0.000 5.104) 5.201 10.600 ( 5.495 0.000 -3.716) 6.634 10.628 ( 14.425 0.000 13.394) 19.685 10.739 ( -1.190 0.000 1.054) 1.590 10.921 ( 3.410 0.000 3.443) 4.845 11.064 ( 2.886 0.000 -16.749) 16.996 11.246 ( 8.315 0.000 -1.307) 8.417 11.353 ( -8.301 0.000 0.452) 8.313 11.516 ( -7.606 0.000 -3.047) 8.194 11.778 ( 2.139 0.000 1.573) 2.655 11.906 ( -4.991 0.000 -2.061) 5.399 12.398 ( -6.535 0.000 -3.618) 7.469 12.687 ( -11.378 0.000 6.333) 13.022 12.839 ( 21.226 0.000 0.981) 21.248 13.307 ( 5.578 0.000 2.303) 6.035 13.649 ( -9.554 0.000 -3.083) 10.039 13.974 ( -7.176 0.000 2.027) 7.457 14.184 ( -1.910 0.000 -0.962) 2.139 14.289 ( 2.332 0.000 10.549) 10.803 14.543 ( 19.249 0.000 -3.142) 19.504 14.774 ( 4.151 0.000 -7.125) 8.246 14.865 ( -2.007 0.000 1.740) 2.656 15.219 ( -38.268 0.000 24.017) 45.181 16.573 ( 3.999 0.000 -4.553) 6.060 17.049 ( -22.943 0.000 11.225) 25.541 17.587 ( 8.544 0.000 -10.174) 13.286 17.732 ( 0.660 0.000 -0.228) 0.698 18.120 ( -3.258 0.000 -0.829) 3.362 18.656 ( -6.164 0.000 7.486) 9.697 19.278 ( -7.405 0.000 1.523) 7.560 20.160 ( 18.553 0.000 8.307) 20.328 20.581 ( 3.413 0.000 0.194) 3.419 20.974 ( 38.938 0.000 -2.948) 39.050 21.322 ( -2.695 0.000 0.564) 2.754 25.321 ( -0.700 0.000 -4.036) 4.096 25.949 ( 1.484 0.000 -0.432) 1.546 26.690 ( -40.468 0.000 -19.115) 44.756 28.275 ( 20.878 0.000 -5.855) 21.683 28.573 ( -0.251 0.000 1.921) 1.938 ======================= Grid point 149 (67/128) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 16.325 0.000 -8.655) 18.478 0.827 ( -1.122 0.000 1.852) 2.165 1.357 ( 11.400 0.000 0.199) 11.402 1.954 ( -0.597 0.000 -11.067) 11.083 2.113 ( -14.637 0.000 -23.105) 27.352 2.192 ( 1.995 0.000 -2.063) 2.870 2.529 ( 4.796 0.000 9.959) 11.054 2.784 ( 5.661 0.000 0.251) 5.667 2.933 ( 21.025 0.000 20.176) 29.140 3.238 ( -1.581 0.000 -3.019) 3.408 3.241 ( -15.759 0.000 -1.942) 15.878 3.537 ( -19.674 0.000 0.143) 19.675 3.653 ( -7.679 0.000 -1.081) 7.754 3.801 ( 6.753 0.000 -22.176) 23.181 4.114 ( 2.361 0.000 -9.535) 9.823 4.307 ( -3.090 0.000 -3.923) 4.994 4.477 ( 12.711 0.000 -0.676) 12.729 4.657 ( 3.914 0.000 -4.274) 5.795 4.896 ( -0.611 0.000 4.120) 4.165 5.316 ( 17.025 0.000 6.412) 18.192 5.671 ( 8.309 0.000 -1.213) 8.397 5.812 ( -1.152 0.000 -0.868) 1.442 5.927 ( 1.758 0.000 4.695) 5.013 6.322 ( -6.721 0.000 11.171) 13.037 6.406 ( -3.624 0.000 -0.472) 3.654 6.723 ( -3.259 0.000 4.867) 5.857 6.791 ( -14.023 0.000 8.564) 16.431 7.261 ( 8.984 0.000 1.042) 9.044 7.360 ( -0.692 0.000 3.506) 3.573 7.709 ( -7.022 0.000 6.904) 9.848 7.933 ( 1.988 0.000 2.345) 3.075 8.178 ( 10.985 0.000 -13.828) 17.661 8.456 ( -7.047 0.000 -2.283) 7.408 8.607 ( -4.748 0.000 -4.465) 6.518 8.874 ( 8.068 0.000 8.897) 12.010 9.228 ( -7.223 0.000 7.081) 10.115 9.317 ( -2.731 0.000 -5.483) 6.125 9.661 ( -5.543 0.000 2.834) 6.226 10.098 ( -5.152 0.000 -8.470) 9.914 10.277 ( -0.675 0.000 2.581) 2.668 10.599 ( -3.977 0.000 0.921) 4.082 10.806 ( 0.859 0.000 10.791) 10.826 10.890 ( 9.926 0.000 -2.590) 10.259 11.037 ( 4.791 0.000 -11.692) 12.636 11.113 ( 4.745 0.000 -3.959) 6.179 11.267 ( 3.049 0.000 1.409) 3.358 11.354 ( 1.149 0.000 -3.148) 3.351 11.369 ( -5.116 0.000 -2.646) 5.760 11.782 ( -4.475 0.000 -5.199) 6.859 11.833 ( 2.269 0.000 3.967) 4.570 12.313 ( -2.647 0.000 -3.022) 4.017 12.471 ( -11.713 0.000 2.790) 12.041 13.190 ( 14.023 0.000 2.042) 14.171 13.405 ( 4.702 0.000 5.902) 7.546 13.408 ( -14.401 0.000 -2.155) 14.562 13.818 ( -9.115 0.000 -0.508) 9.129 14.109 ( -5.137 0.000 1.733) 5.422 14.402 ( 8.040 0.000 7.598) 11.062 14.541 ( -15.390 0.000 18.283) 23.898 14.790 ( 0.189 0.000 3.117) 3.123 14.879 ( 7.848 0.000 -6.531) 10.210 15.110 ( 15.563 0.000 -1.574) 15.642 16.607 ( -0.597 0.000 -0.553) 0.813 16.978 ( 9.068 0.000 0.051) 9.068 17.736 ( 4.031 0.000 -2.434) 4.709 17.752 ( 2.952 0.000 -4.891) 5.712 18.057 ( -1.126 0.000 -5.566) 5.679 18.539 ( -6.574 0.000 8.180) 10.495 19.056 ( -15.161 0.000 4.755) 15.889 20.206 ( -6.139 0.000 15.031) 16.236 20.661 ( 4.316 0.000 0.465) 4.341 21.247 ( -4.690 0.000 -0.519) 4.719 21.921 ( 48.825 0.000 2.277) 48.878 25.338 ( 2.675 0.000 -0.718) 2.769 25.827 ( -43.452 0.000 -23.765) 49.526 25.977 ( 1.544 0.000 -1.437) 2.109 28.437 ( -1.013 0.000 -3.199) 3.356 28.555 ( -1.785 0.000 0.906) 2.001 ======================= Grid point 150 (68/128) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -1.441 0.000 1.088) 1.806 1.189 ( 27.336 0.000 -22.398) 35.340 1.572 ( 10.656 0.000 -7.987) 13.317 1.872 ( -6.763 0.000 -21.981) 22.998 1.924 ( -0.442 0.000 -10.431) 10.440 2.237 ( 2.338 0.000 -0.530) 2.397 2.600 ( 0.457 0.000 8.625) 8.637 2.791 ( -10.785 0.000 -1.917) 10.954 2.916 ( -5.000 0.000 -1.599) 5.250 3.072 ( -20.508 0.000 -6.356) 21.470 3.240 ( -0.838 0.000 4.453) 4.531 3.413 ( 17.767 0.000 19.147) 26.120 3.510 ( -4.379 0.000 -1.758) 4.719 3.942 ( 5.911 0.000 -8.898) 10.682 4.091 ( -3.367 0.000 -7.418) 8.147 4.312 ( 3.395 0.000 -16.117) 16.471 4.566 ( -0.659 0.000 5.249) 5.290 4.704 ( -1.285 0.000 6.406) 6.533 5.078 ( 16.497 0.000 -11.792) 20.278 5.588 ( 9.056 0.000 6.715) 11.274 5.771 ( -1.983 0.000 0.743) 2.117 5.810 ( 5.781 0.000 1.749) 6.040 5.878 ( -6.138 0.000 4.390) 7.546 6.240 ( -0.663 0.000 9.357) 9.380 6.393 ( 1.399 0.000 0.911) 1.670 6.493 ( -14.307 0.000 8.716) 16.753 6.676 ( -2.506 0.000 2.973) 3.889 7.421 ( 5.245 0.000 -3.730) 6.436 7.452 ( 7.508 0.000 -0.180) 7.510 7.569 ( -5.778 0.000 7.670) 9.603 7.971 ( 1.226 0.000 0.349) 1.275 8.311 ( -6.675 0.000 -1.315) 6.803 8.382 ( 9.793 0.000 -7.542) 12.361 8.512 ( -5.048 0.000 -1.532) 5.275 9.052 ( 8.116 0.000 7.962) 11.369 9.120 ( -3.081 0.000 5.249) 6.087 9.268 ( -0.876 0.000 -7.767) 7.816 9.566 ( -5.275 0.000 4.829) 7.152 9.948 ( -8.210 0.000 -4.748) 9.484 10.368 ( 8.096 0.000 1.612) 8.255 10.527 ( -3.086 0.000 -3.641) 4.773 10.717 ( -8.919 0.000 9.492) 13.025 10.967 ( -1.437 0.000 4.059) 4.306 11.058 ( 2.851 0.000 -13.117) 13.423 11.225 ( 4.668 0.000 -1.042) 4.783 11.263 ( -4.247 0.000 -1.470) 4.494 11.377 ( 0.178 0.000 -3.960) 3.964 11.452 ( 12.079 0.000 -5.639) 13.330 11.716 ( -0.936 0.000 -6.958) 7.021 11.906 ( 3.667 0.000 6.933) 7.843 12.248 ( -11.272 0.000 1.556) 11.378 12.285 ( 0.285 0.000 -5.301) 5.309 13.141 ( -11.970 0.000 -1.585) 12.075 13.377 ( 5.016 0.000 2.379) 5.552 13.505 ( 5.034 0.000 6.999) 8.622 13.637 ( -8.823 0.000 -2.300) 9.117 14.036 ( -2.219 0.000 2.245) 3.157 14.395 ( -3.112 0.000 14.532) 14.861 14.563 ( 6.850 0.000 4.230) 8.051 14.794 ( 0.945 0.000 -0.863) 1.280 15.090 ( 15.015 0.000 -4.315) 15.622 15.350 ( 7.984 0.000 -4.156) 9.000 16.540 ( -6.551 0.000 2.359) 6.963 17.287 ( 21.575 0.000 -4.158) 21.972 17.728 ( -3.978 0.000 2.425) 4.659 17.771 ( -0.001 0.000 -1.164) 1.164 18.121 ( 5.324 0.000 -5.367) 7.560 18.435 ( -3.253 0.000 1.125) 3.442 18.730 ( -18.938 0.000 8.450) 20.737 20.058 ( -9.646 0.000 14.294) 17.244 20.724 ( 1.718 0.000 0.128) 1.723 21.163 ( -3.367 0.000 -1.086) 3.538 22.706 ( 31.440 0.000 8.326) 32.523 25.093 ( -29.119 0.000 -22.912) 37.052 25.416 ( 5.017 0.000 1.958) 5.385 26.007 ( 1.780 0.000 -2.108) 2.759 28.317 ( -9.613 0.000 -1.860) 9.791 28.507 ( -3.123 0.000 -0.019) 3.123 ======================= Grid point 151 (69/128) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.184 0.000 -0.882) 0.901 1.577 ( 10.786 0.000 -20.444) 23.115 1.726 ( 6.505 0.000 -20.771) 21.765 1.909 ( 14.492 0.000 -19.380) 24.199 1.954 ( 4.010 0.000 -5.698) 6.968 2.272 ( 1.397 0.000 0.175) 1.408 2.471 ( -17.954 0.000 -3.569) 18.306 2.503 ( -10.428 0.000 2.126) 10.643 2.791 ( -6.803 0.000 -3.201) 7.519 2.896 ( -0.306 0.000 -0.483) 0.571 3.288 ( 4.018 0.000 11.398) 12.085 3.428 ( -1.041 0.000 0.427) 1.125 3.705 ( 4.666 0.000 5.854) 7.486 3.989 ( -0.136 0.000 1.746) 1.751 4.031 ( 0.958 0.000 4.312) 4.417 4.350 ( 0.485 0.000 -24.242) 24.247 4.565 ( 1.781 0.000 4.894) 5.208 4.650 ( -5.158 0.000 2.230) 5.619 5.305 ( 6.333 0.000 -7.569) 9.869 5.676 ( 1.167 0.000 10.097) 10.165 5.764 ( -4.300 0.000 -0.737) 4.363 5.800 ( 5.583 0.000 2.078) 5.958 5.868 ( 0.608 0.000 2.050) 2.138 6.235 ( -11.842 0.000 5.124) 12.903 6.342 ( 8.402 0.000 4.423) 9.495 6.463 ( 3.285 0.000 1.346) 3.550 6.642 ( -1.051 0.000 3.087) 3.262 7.340 ( -8.072 0.000 4.021) 9.018 7.603 ( 7.754 0.000 0.592) 7.776 7.626 ( 6.497 0.000 -2.717) 7.043 7.956 ( -2.924 0.000 -3.944) 4.909 8.225 ( -2.400 0.000 2.694) 3.609 8.415 ( -4.579 0.000 0.191) 4.583 8.490 ( 1.589 0.000 -1.397) 2.116 9.140 ( -0.641 0.000 3.275) 3.337 9.166 ( 7.489 0.000 3.173) 8.133 9.270 ( 1.043 0.000 -5.192) 5.296 9.449 ( -7.690 0.000 5.680) 9.560 9.851 ( 0.018 0.000 0.153) 0.154 10.450 ( -2.725 0.000 -3.299) 4.279 10.547 ( -8.799 0.000 8.530) 12.255 10.569 ( 10.334 0.000 -3.782) 11.004 10.912 ( -3.210 0.000 3.121) 4.477 11.134 ( 5.609 0.000 -6.162) 8.332 11.191 ( -3.035 0.000 -0.222) 3.043 11.301 ( 3.859 0.000 -6.645) 7.684 11.342 ( -3.365 0.000 -0.065) 3.366 11.609 ( 2.996 0.000 -14.480) 14.786 11.723 ( 0.669 0.000 -3.956) 4.012 11.958 ( 0.928 0.000 7.474) 7.532 12.086 ( -3.850 0.000 2.936) 4.842 12.324 ( 4.513 0.000 -7.508) 8.760 12.950 ( -7.909 0.000 -5.206) 9.469 13.384 ( -3.551 0.000 -1.362) 3.803 13.527 ( -2.172 0.000 2.301) 3.164 13.601 ( 4.120 0.000 6.626) 7.803 14.019 ( -0.117 0.000 1.072) 1.079 14.396 ( 1.385 0.000 10.505) 10.595 14.654 ( 2.611 0.000 1.811) 3.178 14.838 ( 3.866 0.000 -2.616) 4.668 15.414 ( 16.803 0.000 -1.792) 16.898 15.421 ( 0.635 0.000 -5.024) 5.064 16.372 ( -10.246 0.000 3.546) 10.842 17.641 ( -3.844 0.000 2.587) 4.634 17.738 ( 24.603 0.000 -4.657) 25.040 17.776 ( 0.246 0.000 -0.794) 0.831 18.094 ( -8.390 0.000 14.045) 16.360 18.357 ( -20.532 0.000 10.055) 22.862 18.491 ( 8.580 0.000 -15.410) 17.638 19.892 ( -8.024 0.000 13.995) 16.132 20.724 ( -1.196 0.000 -0.721) 1.397 21.127 ( -0.534 0.000 -0.865) 1.017 23.118 ( 11.099 0.000 6.668) 12.948 24.714 ( -8.863 0.000 -16.067) 18.350 25.518 ( 5.043 0.000 3.278) 6.015 26.036 ( 1.118 0.000 -2.454) 2.697 28.116 ( -10.124 0.000 -2.042) 10.328 28.446 ( -2.928 0.000 -0.549) 2.979 ======================= Grid point 152 (70/128) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 1.995 0.000 -2.339) 3.074 1.631 ( -2.283 0.000 -20.188) 20.317 1.804 ( 3.761 0.000 -30.034) 30.269 1.996 ( -1.322 0.000 -3.691) 3.920 2.111 ( -14.228 0.000 -7.697) 16.176 2.251 ( 14.803 0.000 -13.444) 19.997 2.297 ( 0.152 0.000 -0.527) 0.548 2.355 ( -0.477 0.000 1.915) 1.973 2.746 ( 1.393 0.000 -1.111) 1.781 2.921 ( 3.399 0.000 -1.446) 3.694 3.363 ( 0.934 0.000 17.018) 17.044 3.451 ( 3.263 0.000 2.037) 3.847 3.631 ( -7.323 0.000 -0.157) 7.325 3.969 ( -1.376 0.000 5.174) 5.354 4.135 ( 4.501 0.000 10.466) 11.393 4.258 ( -7.552 0.000 -24.130) 25.284 4.498 ( -10.311 0.000 4.793) 11.370 4.665 ( 7.669 0.000 0.861) 7.717 5.352 ( 0.867 0.000 -7.588) 7.637 5.695 ( -0.508 0.000 8.501) 8.516 5.728 ( 0.233 0.000 -1.977) 1.991 5.875 ( 1.050 0.000 2.683) 2.881 5.940 ( 5.276 0.000 6.274) 8.198 6.052 ( -4.684 0.000 -0.779) 4.749 6.458 ( 1.488 0.000 1.776) 2.317 6.503 ( 0.105 0.000 1.736) 1.739 6.655 ( 2.396 0.000 2.440) 3.420 7.235 ( -2.184 0.000 5.974) 6.360 7.738 ( 5.678 0.000 -6.560) 8.676 7.742 ( 6.540 0.000 1.347) 6.678 7.866 ( -5.614 0.000 -5.612) 7.937 8.193 ( -2.010 0.000 4.481) 4.911 8.362 ( -0.217 0.000 1.107) 1.128 8.474 ( -2.655 0.000 1.982) 3.313 9.038 ( -8.858 0.000 1.489) 8.982 9.280 ( 0.121 0.000 -1.265) 1.271 9.285 ( -9.025 0.000 5.307) 10.470 9.358 ( 10.360 0.000 2.543) 10.668 9.957 ( 9.622 0.000 0.759) 9.652 10.375 ( -4.433 0.000 -7.048) 8.326 10.409 ( -6.161 0.000 8.506) 10.502 10.777 ( 10.569 0.000 -2.105) 10.777 10.877 ( 0.080 0.000 -3.526) 3.527 11.146 ( -1.960 0.000 0.991) 2.197 11.251 ( 6.138 0.000 -2.111) 6.491 11.283 ( -1.862 0.000 2.731) 3.305 11.365 ( 3.396 0.000 -6.206) 7.075 11.530 ( -7.064 0.000 -17.042) 18.449 11.676 ( -6.330 0.000 2.235) 6.713 11.970 ( 0.452 0.000 5.139) 5.159 12.129 ( 6.555 0.000 -2.794) 7.126 12.424 ( 4.920 0.000 -8.034) 9.421 12.829 ( -3.365 0.000 -6.898) 7.675 13.332 ( -0.146 0.000 -2.980) 2.983 13.509 ( -0.774 0.000 5.290) 5.346 13.663 ( 1.526 0.000 5.846) 6.042 14.024 ( 0.436 0.000 0.350) 0.559 14.447 ( 2.830 0.000 6.986) 7.538 14.678 ( 0.009 0.000 1.203) 1.203 14.935 ( 6.363 0.000 -4.529) 7.810 15.394 ( -2.495 0.000 -4.953) 5.546 15.593 ( -2.217 0.000 -0.010) 2.217 16.252 ( 1.010 0.000 3.255) 3.408 17.607 ( 0.188 0.000 2.618) 2.625 17.775 ( -0.498 0.000 -0.636) 0.808 17.897 ( -12.172 0.000 15.910) 20.032 17.963 ( -20.786 0.000 7.542) 22.112 18.194 ( 22.244 0.000 -2.569) 22.392 18.651 ( 8.344 0.000 -14.391) 16.635 19.806 ( -1.483 0.000 15.280) 15.352 20.702 ( -0.573 0.000 -0.857) 1.031 21.125 ( 0.068 0.000 -0.742) 0.745 23.206 ( 0.141 0.000 3.656) 3.659 24.647 ( -0.198 0.000 -11.259) 11.261 25.604 ( 3.439 0.000 2.785) 4.426 26.033 ( -1.454 0.000 -2.392) 2.799 27.963 ( -4.956 0.000 -0.549) 4.986 28.407 ( -0.800 0.000 -0.443) 0.914 ======================= Grid point 153 (71/128) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 1.388 0.000 -1.671) 2.172 1.415 ( -18.591 0.000 -20.896) 27.969 1.791 ( -4.451 0.000 -20.603) 21.078 1.852 ( -8.496 0.000 -16.529) 18.585 1.883 ( -6.893 0.000 -8.612) 11.031 2.288 ( -0.089 0.000 -0.548) 0.555 2.512 ( 12.572 0.000 3.129) 12.956 2.557 ( 16.639 0.000 -5.863) 17.642 2.828 ( 7.363 0.000 -3.108) 7.992 2.999 ( 3.625 0.000 -3.924) 5.342 3.315 ( -6.784 0.000 17.513) 18.781 3.441 ( -5.559 0.000 -1.073) 5.662 3.633 ( 8.077 0.000 6.894) 10.620 3.970 ( 0.064 0.000 3.555) 3.555 4.066 ( -8.074 0.000 -22.031) 23.464 4.087 ( -11.890 0.000 2.662) 12.184 4.347 ( -3.607 0.000 13.278) 13.760 4.821 ( 7.208 0.000 1.987) 7.477 5.327 ( -3.428 0.000 -15.121) 15.505 5.636 ( -6.062 0.000 6.966) 9.235 5.725 ( -0.423 0.000 0.438) 0.609 5.926 ( 2.346 0.000 3.235) 3.996 5.985 ( 5.346 0.000 4.617) 7.064 6.138 ( 8.024 0.000 1.760) 8.215 6.405 ( -5.228 0.000 2.808) 5.934 6.471 ( -3.209 0.000 1.675) 3.620 6.722 ( 3.738 0.000 1.870) 4.179 7.264 ( 3.711 0.000 3.681) 5.226 7.743 ( -6.248 0.000 -6.567) 9.065 7.840 ( 5.760 0.000 -8.627) 10.373 7.851 ( 4.605 0.000 2.482) 5.232 8.156 ( -1.645 0.000 5.040) 5.301 8.371 ( -9.610 0.000 4.792) 10.738 8.417 ( 5.482 0.000 0.232) 5.487 8.854 ( -9.626 0.000 3.675) 10.303 9.152 ( -3.618 0.000 3.221) 4.844 9.271 ( -1.030 0.000 0.449) 1.123 9.535 ( 7.386 0.000 2.624) 7.838 10.161 ( 10.359 0.000 -0.200) 10.361 10.269 ( -5.718 0.000 -7.966) 9.805 10.326 ( -3.291 0.000 9.221) 9.790 10.852 ( -0.197 0.000 -10.182) 10.184 10.994 ( 8.832 0.000 -3.822) 9.624 11.127 ( 0.885 0.000 4.926) 5.005 11.236 ( -8.468 0.000 -5.445) 10.067 11.287 ( 0.852 0.000 2.182) 2.343 11.438 ( 4.194 0.000 -1.653) 4.508 11.473 ( 3.981 0.000 -12.392) 13.015 11.507 ( -9.294 0.000 5.605) 10.854 11.998 ( 2.212 0.000 3.390) 4.048 12.276 ( 8.880 0.000 -8.695) 12.428 12.427 ( -4.057 0.000 -10.724) 11.465 12.853 ( 6.002 0.000 -1.490) 6.184 13.391 ( 6.077 0.000 -3.082) 6.813 13.501 ( -0.198 0.000 5.338) 5.341 13.661 ( -2.336 0.000 5.531) 6.004 14.035 ( 0.718 0.000 0.311) 0.783 14.504 ( 2.403 0.000 4.226) 4.861 14.660 ( -1.948 0.000 1.709) 2.591 15.066 ( 7.488 0.000 -5.670) 9.393 15.330 ( -3.513 0.000 -4.506) 5.713 15.364 ( -17.327 0.000 -0.682) 17.340 16.374 ( 7.297 0.000 4.511) 8.579 17.575 ( -19.325 0.000 3.350) 19.613 17.620 ( -5.162 0.000 12.010) 13.072 17.700 ( -1.365 0.000 1.848) 2.297 17.775 ( -0.947 0.000 0.951) 1.342 18.589 ( 19.005 0.000 -1.384) 19.056 18.772 ( 5.274 0.000 -10.892) 12.101 19.874 ( 7.140 0.000 17.118) 18.548 20.707 ( 0.897 0.000 -0.168) 0.912 21.124 ( -0.006 0.000 -0.773) 0.773 23.205 ( 0.234 0.000 5.856) 5.860 24.586 ( -6.421 0.000 -14.809) 16.141 25.650 ( 1.128 0.000 0.166) 1.140 25.976 ( -3.987 0.000 -1.495) 4.258 27.939 ( 2.137 0.000 3.853) 4.406 28.416 ( 1.605 0.000 0.328) 1.638 ======================= Grid point 154 (72/128) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.081 0.000 -0.252) 0.264 0.954 ( -25.301 0.000 -12.901) 28.400 1.564 ( -15.057 0.000 -0.828) 15.080 1.798 ( 5.449 0.000 -26.590) 27.142 1.830 ( 0.807 0.000 -18.520) 18.537 2.277 ( -1.040 0.000 -1.386) 1.733 2.627 ( -4.790 0.000 16.185) 16.878 2.860 ( 13.143 0.000 -3.163) 13.518 2.994 ( -3.517 0.000 -5.345) 6.398 3.056 ( 13.275 0.000 -6.231) 14.665 3.246 ( 4.359 0.000 5.720) 7.192 3.336 ( -8.101 0.000 9.224) 12.276 3.712 ( -4.881 0.000 3.710) 6.131 3.834 ( -8.068 0.000 -22.169) 23.592 3.904 ( 1.283 0.000 2.281) 2.617 4.068 ( 4.112 0.000 3.014) 5.098 4.334 ( 0.477 0.000 9.879) 9.891 4.891 ( -1.092 0.000 1.687) 2.010 5.216 ( -5.022 0.000 -17.647) 18.348 5.504 ( -7.636 0.000 7.127) 10.446 5.747 ( 2.347 0.000 -1.655) 2.872 5.878 ( -8.694 0.000 0.922) 8.742 6.111 ( 4.242 0.000 -0.282) 4.251 6.333 ( 12.440 0.000 11.079) 16.659 6.359 ( 1.283 0.000 6.012) 6.148 6.398 ( -3.664 0.000 0.809) 3.752 6.780 ( 1.806 0.000 3.832) 4.236 7.351 ( 4.776 0.000 -0.003) 4.776 7.638 ( -3.351 0.000 -6.935) 7.702 7.935 ( 4.350 0.000 0.533) 4.382 7.938 ( 4.293 0.000 -10.303) 11.161 8.099 ( -17.841 0.000 7.247) 19.257 8.157 ( 1.619 0.000 7.110) 7.292 8.528 ( 3.210 0.000 -2.860) 4.299 8.728 ( -1.060 0.000 8.737) 8.801 9.175 ( 5.212 0.000 2.120) 5.627 9.235 ( -2.811 0.000 -0.528) 2.860 9.640 ( 3.412 0.000 2.533) 4.250 10.147 ( -6.335 0.000 -8.866) 10.896 10.296 ( -0.837 0.000 9.978) 10.013 10.320 ( 5.643 0.000 1.555) 5.853 10.824 ( -0.925 0.000 -15.246) 15.274 11.052 ( -5.943 0.000 1.786) 6.205 11.054 ( -8.713 0.000 -3.000) 9.215 11.164 ( 1.305 0.000 5.421) 5.576 11.311 ( 6.751 0.000 -2.217) 7.106 11.465 ( -1.133 0.000 -3.418) 3.601 11.470 ( 4.168 0.000 4.165) 5.893 11.563 ( 4.157 0.000 -8.945) 9.863 12.052 ( 2.313 0.000 1.789) 2.924 12.297 ( -7.005 0.000 -9.325) 11.663 12.459 ( 11.194 0.000 -9.226) 14.506 13.005 ( 8.680 0.000 3.448) 9.339 13.443 ( -1.944 0.000 -1.023) 2.197 13.579 ( -6.797 0.000 6.547) 9.438 13.605 ( 11.405 0.000 1.019) 11.451 14.055 ( 1.474 0.000 1.016) 1.790 14.538 ( 0.692 0.000 3.004) 3.082 14.604 ( -4.350 0.000 3.838) 5.801 15.035 ( -15.087 0.000 -4.013) 15.612 15.159 ( -2.061 0.000 2.663) 3.367 15.302 ( 5.837 0.000 -12.720) 13.995 16.462 ( 1.097 0.000 6.338) 6.432 17.266 ( -11.478 0.000 -3.325) 11.950 17.470 ( -6.971 0.000 8.576) 11.052 17.752 ( -0.359 0.000 -0.212) 0.417 17.812 ( 7.463 0.000 0.169) 7.465 18.836 ( 2.260 0.000 -7.229) 7.574 18.919 ( 15.451 0.000 -1.102) 15.490 20.091 ( 13.037 0.000 17.546) 21.860 20.715 ( -0.755 0.000 0.424) 0.866 21.138 ( 2.002 0.000 -0.321) 2.028 23.194 ( -5.536 0.000 0.328) 5.546 24.400 ( -7.807 0.000 -9.377) 12.201 25.639 ( -2.311 0.000 -5.172) 5.665 25.902 ( -2.981 0.000 1.478) 3.327 28.025 ( 5.162 0.000 8.704) 10.119 28.459 ( 2.521 0.000 1.446) 2.906 ======================= Grid point 155 (73/128) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -5.700 0.000 14.802) 15.862 0.845 ( -1.264 0.000 1.690) 2.110 1.278 ( -13.771 0.000 4.591) 14.516 1.858 ( 3.280 0.000 -14.558) 14.923 1.993 ( 14.093 0.000 -24.321) 28.109 2.248 ( -1.593 0.000 -2.252) 2.759 2.446 ( -12.271 0.000 20.752) 24.108 2.743 ( -16.649 0.000 1.823) 16.749 3.015 ( -10.067 0.000 3.970) 10.821 3.151 ( 1.783 0.000 -7.891) 8.090 3.206 ( 6.728 0.000 4.658) 8.183 3.483 ( 7.233 0.000 -2.343) 7.603 3.724 ( 5.559 0.000 0.960) 5.641 3.781 ( 9.130 0.000 -17.286) 19.549 3.940 ( -0.471 0.000 -6.432) 6.450 4.160 ( 5.568 0.000 2.842) 6.251 4.398 ( 5.381 0.000 5.944) 8.018 4.797 ( -7.452 0.000 -9.064) 11.734 5.118 ( -4.258 0.000 -6.089) 7.430 5.375 ( -5.921 0.000 4.820) 7.635 5.633 ( -15.630 0.000 0.258) 15.632 5.776 ( -0.091 0.000 -3.413) 3.414 6.081 ( -6.702 0.000 1.139) 6.798 6.378 ( 1.593 0.000 0.712) 1.745 6.425 ( 3.553 0.000 7.707) 8.487 6.593 ( 11.243 0.000 9.810) 14.921 6.816 ( 2.744 0.000 7.415) 7.907 7.439 ( 4.012 0.000 -4.768) 6.232 7.623 ( 2.648 0.000 -3.479) 4.372 7.702 ( -19.360 0.000 6.928) 20.562 8.004 ( 2.412 0.000 -5.574) 6.073 8.027 ( 2.938 0.000 -7.833) 8.366 8.265 ( 9.392 0.000 9.798) 13.572 8.505 ( -1.653 0.000 2.953) 3.384 8.826 ( 4.584 0.000 6.225) 7.731 9.193 ( 0.931 0.000 -2.037) 2.240 9.313 ( 7.618 0.000 2.869) 8.140 9.689 ( 2.469 0.000 2.313) 3.384 9.983 ( -10.859 0.000 -5.221) 12.049 10.302 ( 0.200 0.000 10.401) 10.403 10.406 ( 4.701 0.000 0.581) 4.736 10.797 ( -2.594 0.000 -7.894) 8.310 10.877 ( -6.662 0.000 -3.781) 7.660 10.919 ( -5.095 0.000 1.584) 5.335 11.263 ( 7.399 0.000 5.302) 9.103 11.373 ( -7.974 0.000 -2.607) 8.390 11.440 ( 4.003 0.000 -4.976) 6.386 11.583 ( 6.518 0.000 2.521) 6.988 11.605 ( 1.258 0.000 -12.004) 12.069 11.996 ( -8.649 0.000 -5.196) 10.090 12.246 ( 3.089 0.000 -0.794) 3.190 12.688 ( 12.893 0.000 -6.369) 14.380 13.122 ( -0.846 0.000 5.990) 6.049 13.408 ( 2.170 0.000 -3.091) 3.777 13.415 ( -10.712 0.000 8.444) 13.640 13.846 ( 12.358 0.000 -0.047) 12.358 14.090 ( 1.688 0.000 1.992) 2.611 14.499 ( -6.779 0.000 7.756) 10.300 14.523 ( -3.322 0.000 4.042) 5.232 14.816 ( -7.143 0.000 -7.567) 10.406 15.026 ( -8.682 0.000 1.835) 8.874 15.516 ( 15.080 0.000 -11.387) 18.897 16.449 ( -1.874 0.000 3.761) 4.202 17.203 ( 7.886 0.000 -11.188) 13.688 17.393 ( -1.692 0.000 2.227) 2.796 17.738 ( -0.764 0.000 0.054) 0.766 17.968 ( 7.915 0.000 0.247) 7.919 18.850 ( -0.231 0.000 -3.390) 3.398 19.176 ( 11.463 0.000 -1.764) 11.598 20.347 ( 10.261 0.000 13.522) 16.975 20.667 ( -3.933 0.000 0.249) 3.941 21.204 ( 4.532 0.000 0.798) 4.602 22.686 ( -51.736 0.000 -34.820) 62.362 24.590 ( 32.758 0.000 31.240) 45.267 25.559 ( -4.864 0.000 -9.267) 10.466 25.876 ( -0.199 0.000 3.499) 3.504 28.104 ( 0.972 0.000 10.219) 10.265 28.507 ( 2.116 0.000 2.429) 3.221 ======================= Grid point 156 (74/128) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -1.846 0.000 5.889) 6.172 0.816 ( 19.211 0.000 27.613) 33.638 1.085 ( -6.348 0.000 8.231) 10.394 1.906 ( 2.273 0.000 -15.572) 15.737 2.004 ( -15.778 0.000 25.256) 29.779 2.231 ( 0.164 0.000 -3.611) 3.615 2.274 ( -5.984 0.000 21.412) 22.233 2.600 ( 6.514 0.000 -24.074) 24.940 2.843 ( -6.209 0.000 -0.200) 6.213 3.167 ( 1.438 0.000 -13.493) 13.570 3.358 ( 7.318 0.000 0.207) 7.321 3.505 ( 0.070 0.000 -6.543) 6.543 3.842 ( 5.532 0.000 0.623) 5.567 3.899 ( -2.001 0.000 -15.313) 15.444 3.989 ( 6.539 0.000 -5.252) 8.387 4.347 ( 14.688 0.000 3.477) 15.094 4.475 ( -3.193 0.000 -0.119) 3.195 4.633 ( -3.721 0.000 -6.799) 7.751 5.077 ( 0.597 0.000 0.191) 0.627 5.298 ( -12.850 0.000 5.277) 13.891 5.309 ( -7.025 0.000 -4.404) 8.292 5.702 ( -7.334 0.000 0.738) 7.371 5.935 ( -6.542 0.000 -2.575) 7.031 6.438 ( 4.274 0.000 3.661) 5.628 6.480 ( 1.244 0.000 8.844) 8.931 6.729 ( 3.877 0.000 5.071) 6.383 6.893 ( 1.931 0.000 5.215) 5.561 7.312 ( -14.140 0.000 0.498) 14.148 7.584 ( 4.994 0.000 0.491) 5.018 7.735 ( 7.843 0.000 -0.290) 7.849 8.020 ( -0.413 0.000 -7.248) 7.259 8.053 ( 0.357 0.000 -8.081) 8.089 8.454 ( 6.614 0.000 3.826) 7.641 8.599 ( 13.200 0.000 9.507) 16.267 8.793 ( -6.050 0.000 -0.253) 6.055 9.300 ( 4.865 0.000 -3.151) 5.796 9.415 ( 1.767 0.000 5.121) 5.417 9.780 ( -4.861 0.000 7.514) 8.949 9.782 ( 7.306 0.000 0.585) 7.329 10.310 ( -0.177 0.000 11.813) 11.814 10.516 ( 4.909 0.000 -1.495) 5.131 10.695 ( -3.521 0.000 -4.505) 5.718 10.834 ( -0.933 0.000 -4.379) 4.477 10.862 ( -1.229 0.000 4.831) 4.985 11.194 ( -8.834 0.000 -6.052) 10.708 11.368 ( -10.647 0.000 -6.540) 12.495 11.451 ( 9.902 0.000 5.767) 11.459 11.588 ( -2.143 0.000 -10.853) 11.062 11.693 ( 3.284 0.000 2.313) 4.017 11.854 ( -1.973 0.000 -3.422) 3.950 12.336 ( 5.428 0.000 -0.222) 5.433 12.914 ( 9.578 0.000 -0.970) 9.627 12.931 ( -16.202 0.000 -0.260) 16.204 13.204 ( -10.581 0.000 7.174) 12.784 13.565 ( 11.369 0.000 -0.259) 11.372 14.036 ( 6.057 0.000 1.868) 6.339 14.119 ( 2.008 0.000 0.399) 2.047 14.378 ( -6.130 0.000 10.793) 12.413 14.393 ( -9.852 0.000 4.341) 10.766 14.731 ( -1.632 0.000 -8.029) 8.193 14.909 ( -2.872 0.000 -0.735) 2.965 15.776 ( 9.773 0.000 -5.571) 11.249 16.434 ( 0.979 0.000 -2.495) 2.680 17.398 ( 1.924 0.000 -2.303) 3.001 17.633 ( 37.823 0.000 -17.603) 41.719 17.726 ( -0.389 0.000 0.088) 0.399 18.095 ( 4.957 0.000 0.304) 4.967 18.823 ( -2.482 0.000 0.725) 2.585 19.356 ( 7.498 0.000 -2.185) 7.810 20.351 ( -24.168 0.000 1.565) 24.218 20.588 ( -3.668 0.000 -0.072) 3.669 21.271 ( -75.072 0.000 -26.663) 79.666 21.291 ( 3.865 0.000 1.541) 4.161 25.455 ( -4.824 0.000 -9.396) 10.562 25.675 ( 72.251 0.000 37.687) 81.489 25.890 ( 1.193 0.000 2.665) 2.920 28.037 ( -9.285 0.000 5.989) 11.049 28.542 ( 1.398 0.000 2.892) 3.212 ======================= Grid point 157 (75/128) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -5.904 8.977 17.937) 20.909 1.375 ( 1.150 29.716 15.376) 33.478 1.703 ( -2.325 35.451 -5.396) 35.935 1.953 ( 7.580 6.544 -0.354) 10.020 2.068 ( 7.939 29.791 16.188) 34.822 2.227 ( 1.174 -1.147 15.885) 15.970 2.569 ( -1.974 20.931 1.636) 21.087 2.688 ( -0.527 11.115 -18.822) 21.865 2.791 ( -0.733 2.302 -1.791) 3.007 3.197 ( 2.531 -1.614 -11.796) 12.172 3.435 ( 0.832 -4.430 -10.559) 11.481 3.636 ( 9.199 10.688 -4.554) 14.818 3.835 ( -2.779 1.932 -17.774) 18.093 3.940 ( -0.212 3.479 0.102) 3.487 4.168 ( 3.857 8.854 -5.876) 11.304 4.338 ( -2.944 1.947 0.113) 3.531 4.684 ( -0.246 2.575 2.407) 3.533 4.800 ( 10.955 11.326 2.488) 15.952 4.931 ( -19.290 1.642 2.224) 19.487 5.048 ( -2.714 -1.990 -3.078) 4.561 5.446 ( 1.621 10.445 -4.665) 11.554 5.618 ( 2.270 -0.898 4.372) 5.007 5.808 ( -2.128 -4.518 -5.606) 7.507 6.338 ( -0.401 -12.688 7.736) 14.866 6.490 ( 0.672 -2.417 7.932) 8.319 6.659 ( -1.853 -8.125 4.483) 9.463 6.854 ( 0.810 3.625 5.174) 6.369 7.077 ( -3.984 -6.201 0.547) 7.391 7.530 ( 3.884 -11.870 -6.892) 14.265 7.769 ( -2.477 -0.696 0.700) 2.667 8.084 ( 1.500 9.723 1.737) 9.990 8.343 ( -0.136 5.474 -7.510) 9.294 8.531 ( 1.115 -2.071 2.425) 3.378 8.722 ( 0.834 5.340 -2.162) 5.821 8.813 ( -2.100 2.763 3.904) 5.224 9.325 ( -0.501 9.046 -7.219) 11.585 9.457 ( -0.290 1.224 4.034) 4.226 9.764 ( -2.369 -10.129 1.532) 10.514 9.901 ( 15.745 -7.079 12.548) 21.342 10.427 ( -5.959 -6.244 -8.696) 12.252 10.456 ( 4.569 4.142 8.368) 10.395 10.712 ( -1.341 -0.888 0.798) 1.796 10.794 ( 4.067 5.987 2.497) 7.656 10.902 ( -0.125 2.789 -0.990) 2.963 11.130 ( -2.629 6.210 -8.596) 10.925 11.264 ( -5.423 9.562 -1.074) 11.045 11.435 ( -2.252 -2.909 -4.376) 5.717 11.612 ( 0.573 0.128 -3.019) 3.075 11.826 ( 0.478 7.965 3.085) 8.555 11.958 ( 2.995 6.528 0.038) 7.183 12.422 ( 10.751 -5.511 -0.479) 12.090 12.528 ( -13.062 -6.303 -3.699) 14.968 13.004 ( -10.729 9.138 10.003) 17.283 13.211 ( 6.039 2.197 -0.735) 6.468 13.565 ( 1.859 -14.340 0.379) 14.465 13.963 ( -1.430 -10.433 6.070) 12.154 14.119 ( -0.047 -6.731 -1.662) 6.933 14.188 ( -1.896 -6.201 8.615) 10.783 14.360 ( 4.209 1.593 5.623) 7.202 14.750 ( -5.172 -4.635 -4.943) 8.525 15.018 ( -0.155 15.435 0.038) 15.436 15.873 ( -3.144 23.028 -5.017) 23.777 16.727 ( 3.611 15.567 -5.209) 16.808 17.370 ( -6.772 -11.016 0.156) 12.932 17.543 ( -7.131 -1.413 4.624) 8.615 18.087 ( 8.948 -0.599 -3.250) 9.538 18.290 ( -6.559 18.812 -9.981) 22.283 18.739 ( -4.443 -1.915 4.485) 6.597 19.433 ( -5.207 0.650 0.881) 5.321 19.770 ( -4.366 17.799 -4.738) 18.929 20.513 ( -0.513 -3.245 -0.182) 3.290 21.194 ( -6.832 25.544 -2.556) 26.565 21.337 ( -0.787 22.451 -7.172) 23.582 25.266 ( -3.604 -10.611 -7.987) 13.762 25.912 ( 2.122 -0.736 1.480) 2.690 26.718 ( 32.907 -22.324 6.127) 40.234 27.847 ( -0.403 0.890 0.864) 1.305 28.544 ( 0.689 -2.596 2.628) 3.758 ======================= Grid point 158 (76/128) ======================= q-point: ( 0.10 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -10.850 13.163 16.676) 23.855 1.489 ( 7.448 32.219 9.383) 34.374 1.671 ( -0.788 34.460 -6.847) 35.142 2.038 ( 2.401 15.502 -12.252) 19.905 2.282 ( 1.512 7.821 3.024) 8.521 2.411 ( 17.759 10.529 19.696) 28.534 2.457 ( -5.654 4.548 -12.525) 14.475 2.690 ( 3.972 23.751 10.175) 26.142 2.800 ( 1.668 5.241 -2.037) 5.865 3.212 ( -0.815 -4.147 -5.129) 6.645 3.467 ( 2.820 -5.320 -16.350) 17.423 3.619 ( -9.123 5.553 -4.092) 11.437 3.825 ( -7.144 7.002 -1.398) 10.100 3.948 ( 8.717 3.838 -21.072) 23.125 4.188 ( -1.263 10.880 -12.716) 16.783 4.311 ( 2.718 4.719 4.368) 6.981 4.547 ( -13.457 3.232 2.634) 14.089 4.691 ( -3.077 3.816 0.860) 4.976 4.961 ( -4.875 -0.132 1.940) 5.249 5.076 ( 16.257 8.154 6.898) 19.451 5.526 ( 6.260 3.715 -3.001) 7.874 5.752 ( 6.586 -3.408 1.957) 7.669 5.823 ( 4.962 -1.896 -2.687) 5.953 6.317 ( -2.673 -11.218 9.176) 14.738 6.471 ( -3.637 -2.040 5.434) 6.850 6.605 ( -3.929 -10.141 4.630) 11.820 6.802 ( -4.478 1.951 4.435) 6.598 7.132 ( 7.671 -2.793 1.096) 8.237 7.579 ( 0.296 -10.058 -5.560) 11.496 7.729 ( 0.205 0.725 1.951) 2.091 8.087 ( -1.172 9.972 3.639) 10.680 8.307 ( -2.503 16.485 -5.799) 17.653 8.594 ( 4.815 -2.549 1.000) 5.539 8.657 ( -6.030 9.232 1.818) 11.175 8.746 ( -4.338 -4.205 1.158) 6.151 9.294 ( -2.167 3.845 -2.232) 4.945 9.429 ( -3.663 1.742 1.389) 4.287 9.673 ( -5.183 -9.444 2.719) 11.111 10.168 ( 1.241 -6.343 -2.553) 6.950 10.331 ( 1.902 -1.537 3.370) 4.164 10.531 ( 1.975 -4.598 -1.483) 5.220 10.684 ( -0.290 0.860 5.082) 5.162 10.841 ( 2.043 7.563 -1.637) 8.004 10.945 ( 5.269 8.171 0.921) 9.766 11.092 ( 4.136 2.084 -10.841) 11.789 11.309 ( 2.343 3.830 -2.337) 5.062 11.356 ( -3.728 1.398 0.236) 3.988 11.538 ( -5.874 3.418 -3.600) 7.690 11.861 ( 1.298 6.737 2.637) 7.350 11.924 ( -5.109 4.560 -1.773) 7.073 12.340 ( -6.042 -4.953 -3.864) 8.715 12.650 ( 2.976 -4.984 2.893) 6.486 12.890 ( 5.789 5.995 4.783) 9.609 13.319 ( 4.548 0.171 4.162) 6.167 13.501 ( -7.645 -13.023 -0.768) 15.121 13.904 ( -5.575 -7.012 2.899) 9.415 14.045 ( -4.566 -13.241 6.065) 15.263 14.246 ( 3.701 -5.222 8.647) 10.758 14.527 ( 9.339 -4.700 0.818) 10.487 14.636 ( -4.026 -5.083 -1.614) 6.682 15.068 ( 5.776 15.467 0.211) 16.511 15.658 ( -17.131 45.096 -0.977) 48.250 16.827 ( 6.918 13.682 -3.639) 15.758 16.955 ( -21.818 -1.574 10.690) 24.347 17.601 ( 8.290 1.180 -9.623) 12.756 18.027 ( -8.407 25.482 -5.280) 27.347 18.136 ( -2.174 2.187 -1.376) 3.377 18.642 ( -5.923 -1.537 7.422) 9.620 19.244 ( -9.480 -2.825 2.003) 10.093 20.159 ( 16.955 0.152 8.416) 18.929 20.534 ( 2.784 -3.799 0.124) 4.712 21.222 ( 2.561 -1.227 2.126) 3.547 21.473 ( 23.311 38.247 -7.273) 45.378 25.220 ( -0.406 -10.719 -4.470) 11.621 25.940 ( 0.642 -0.832 -0.633) 1.227 26.569 ( -33.217 -11.825 -15.734) 38.610 28.154 ( 18.932 -9.362 -0.783) 21.135 28.553 ( -0.034 -2.404 1.935) 3.086 ======================= Grid point 159 (77/128) ======================= q-point: ( 0.20 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 13.766 13.234 -6.512) 20.176 1.630 ( 5.480 34.310 2.346) 34.824 1.656 ( -0.193 28.952 -7.806) 29.987 2.057 ( 0.001 18.448 -11.592) 21.788 2.143 ( -9.031 5.283 -17.044) 20.000 2.447 ( 4.141 11.546 1.723) 12.387 2.609 ( 2.064 16.980 5.176) 17.871 2.843 ( 2.687 6.257 -0.447) 6.824 2.961 ( 14.995 2.609 15.609) 21.801 3.160 ( -1.473 -1.491 4.888) 5.318 3.360 ( -8.468 7.456 -4.525) 12.156 3.467 ( -15.456 -4.078 -8.803) 18.249 3.659 ( -3.027 4.129 -4.759) 6.990 3.979 ( -1.277 11.591 -15.476) 19.377 4.172 ( -1.251 5.968 -6.319) 8.782 4.375 ( 1.643 4.975 -7.424) 9.086 4.505 ( 7.351 1.801 2.115) 7.858 4.687 ( 3.101 3.187 -0.912) 4.539 4.900 ( 0.273 0.603 1.594) 1.726 5.401 ( 15.825 5.917 7.719) 18.574 5.643 ( 5.390 -1.426 -0.739) 5.624 5.815 ( 1.765 0.313 -1.884) 2.601 5.936 ( 3.018 0.283 4.473) 5.403 6.254 ( -4.371 -7.644 11.404) 14.408 6.364 ( -6.307 -5.212 3.787) 9.015 6.548 ( -2.119 -6.507 3.349) 7.619 6.739 ( -2.464 1.982 2.832) 4.245 7.294 ( 7.806 -1.322 0.291) 7.922 7.557 ( -0.017 3.682 -2.054) 4.216 7.772 ( 2.032 -3.673 2.117) 4.701 8.072 ( -0.152 20.015 5.120) 20.660 8.267 ( -1.417 12.473 0.458) 12.562 8.463 ( -10.348 1.186 -5.130) 11.611 8.695 ( -0.362 5.876 -2.812) 6.524 8.750 ( 7.949 -8.743 6.289) 13.386 9.239 ( -3.413 3.032 1.748) 4.888 9.317 ( -6.611 -1.754 -2.566) 7.305 9.594 ( -3.392 -5.815 2.766) 7.278 10.077 ( -6.683 -3.177 -8.752) 11.461 10.331 ( -0.267 3.103 4.569) 5.529 10.551 ( -2.590 -4.037 0.678) 4.844 10.740 ( 3.033 -4.281 5.784) 7.809 10.924 ( 7.040 3.118 -3.074) 8.290 11.073 ( 6.628 1.391 -6.202) 9.183 11.165 ( -0.778 5.200 -7.641) 9.275 11.272 ( -0.568 1.105 1.275) 1.781 11.337 ( 0.332 -0.197 1.375) 1.428 11.481 ( 1.456 11.400 -5.018) 12.541 11.786 ( -4.980 0.517 -4.797) 6.934 11.925 ( 2.680 9.441 4.601) 10.839 12.256 ( -2.873 -4.941 -3.490) 6.697 12.517 ( -10.781 3.571 2.325) 11.593 13.153 ( 13.495 -3.442 2.306) 14.116 13.304 ( -11.952 -9.260 -0.620) 15.132 13.394 ( 2.788 -2.658 6.793) 7.809 13.771 ( -7.597 -3.663 -0.152) 8.436 13.962 ( -4.150 -13.548 6.198) 15.465 14.303 ( 0.019 -7.515 11.331) 13.596 14.567 ( 4.756 -4.102 2.649) 6.816 14.732 ( 5.639 -4.754 -3.146) 8.019 15.223 ( 6.517 18.435 -2.091) 19.665 15.423 ( -1.856 49.128 -0.404) 49.164 16.729 ( -5.601 2.377 2.780) 6.689 16.992 ( 11.184 8.819 -1.056) 14.282 17.765 ( 7.510 2.268 -7.264) 10.692 17.940 ( -1.592 17.028 -1.706) 17.187 18.082 ( -1.432 3.822 -6.130) 7.365 18.531 ( -6.291 -0.817 8.419) 10.542 19.021 ( -14.248 -3.376 4.632) 15.357 20.241 ( -4.962 3.340 13.495) 14.761 20.614 ( 4.643 -4.905 0.485) 6.772 21.182 ( -4.656 -6.631 -0.316) 8.109 22.164 ( 40.084 24.644 2.057) 47.099 25.247 ( 3.340 -9.692 -0.854) 10.287 25.767 ( -33.976 -4.326 -18.991) 39.163 25.997 ( -4.514 0.583 -4.631) 6.493 28.338 ( 1.050 -8.674 -0.891) 8.783 28.542 ( -1.284 -1.725 0.906) 2.334 ======================= Grid point 160 (78/128) ======================= q-point: ( 0.30 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 25.849 7.874 -19.991) 33.613 1.637 ( -0.502 29.702 -8.701) 30.954 1.677 ( 0.384 19.854 -8.454) 21.582 1.973 ( -1.684 19.640 -14.689) 24.583 2.138 ( 4.777 20.359 -7.693) 22.282 2.517 ( 2.058 9.561 1.729) 9.931 2.617 ( -1.434 16.346 4.579) 17.036 2.789 ( -11.514 -0.020 -2.421) 11.766 2.979 ( -0.904 6.626 2.138) 7.021 3.085 ( -18.727 0.635 -7.601) 20.221 3.238 ( -1.780 1.638 1.778) 3.002 3.440 ( 14.439 2.855 15.946) 21.700 3.577 ( -3.178 7.995 -2.853) 9.064 4.026 ( 5.221 5.519 -11.562) 13.835 4.122 ( -3.535 3.887 -2.969) 6.034 4.377 ( 0.095 5.650 -12.360) 13.591 4.576 ( 0.464 0.669 3.279) 3.378 4.715 ( -1.200 1.348 6.948) 7.178 5.080 ( 15.102 0.013 -10.746) 18.536 5.631 ( 6.364 3.238 6.532) 9.677 5.730 ( 4.015 -6.411 2.141) 7.862 5.817 ( -2.024 3.575 1.104) 4.254 5.918 ( -4.053 3.554 5.993) 8.060 6.182 ( -2.524 -6.213 12.192) 13.914 6.326 ( 1.898 -6.802 0.608) 7.088 6.522 ( -0.792 2.916 2.265) 3.777 6.714 ( 0.116 6.217 1.354) 6.364 7.378 ( -0.003 -1.042 -0.258) 1.073 7.618 ( 5.885 8.740 -0.500) 10.549 7.793 ( 1.058 4.457 2.396) 5.170 8.068 ( -2.121 21.594 -1.820) 21.774 8.214 ( -3.490 -5.844 2.503) 7.253 8.322 ( -4.259 3.736 3.087) 6.452 8.737 ( 5.449 9.937 -5.791) 12.726 8.883 ( 4.524 -10.007 4.736) 11.960 9.187 ( -1.548 3.826 3.196) 5.220 9.224 ( -2.310 -4.796 -4.769) 7.147 9.542 ( -2.602 -2.549 2.918) 4.667 9.911 ( -8.483 -3.572 -5.203) 10.573 10.391 ( 4.041 -1.122 3.521) 5.476 10.497 ( -1.141 -0.801 -3.887) 4.130 10.719 ( -4.996 -0.490 9.580) 10.816 11.001 ( -0.872 4.393 2.378) 5.070 11.120 ( 1.175 6.381 -13.767) 15.220 11.156 ( -0.561 -7.266 -2.917) 7.850 11.256 ( 2.306 0.755 -0.276) 2.442 11.383 ( 1.183 2.731 -0.665) 3.049 11.575 ( 6.564 10.182 -3.612) 12.641 11.745 ( 2.311 3.122 -8.683) 9.513 11.980 ( 1.903 7.486 6.684) 10.215 12.222 ( -0.254 -5.870 -4.874) 7.634 12.305 ( -10.420 5.196 0.326) 11.648 13.077 ( -10.756 -6.278 -1.733) 12.574 13.344 ( 5.502 -3.005 3.417) 7.140 13.414 ( -1.596 -9.600 3.613) 10.381 13.660 ( -2.616 2.143 1.619) 3.750 13.918 ( -0.796 -10.780 3.235) 11.284 14.294 ( -0.500 -6.742 10.150) 12.195 14.697 ( 4.135 -7.168 -0.851) 8.319 14.860 ( 11.051 -0.447 1.068) 11.111 15.244 ( -0.041 37.161 -3.631) 37.338 15.565 ( 10.373 23.392 -2.201) 25.683 16.634 ( -6.044 5.581 1.572) 8.376 17.274 ( 17.963 2.293 -0.866) 18.130 17.778 ( -4.386 4.858 2.947) 7.178 17.954 ( 1.888 15.461 -2.643) 15.798 18.135 ( 5.841 2.026 -7.225) 9.509 18.426 ( -3.958 -0.826 2.732) 4.880 18.717 ( -17.612 -1.177 7.754) 19.280 20.098 ( -9.755 4.134 12.970) 16.747 20.686 ( 2.352 -4.309 0.287) 4.917 21.085 ( -4.538 -7.922 -1.346) 9.228 22.840 ( 28.094 14.366 8.092) 32.575 25.115 ( -25.989 2.713 -21.252) 33.681 25.345 ( 5.276 -7.671 2.237) 9.575 25.989 ( 0.818 -2.268 -2.840) 3.725 28.257 ( -7.907 -5.389 -1.021) 9.623 28.503 ( -2.793 -0.955 -0.025) 2.952 ======================= Grid point 161 (79/128) ======================= q-point: ( 0.40 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 7.135 5.150 -18.261) 20.270 1.646 ( 2.943 31.193 -13.392) 34.074 1.821 ( 16.985 18.529 -11.155) 27.500 1.982 ( 4.597 19.585 -15.873) 25.625 2.217 ( 1.883 18.979 -4.006) 19.488 2.470 ( -13.293 0.117 -3.881) 13.848 2.510 ( -6.793 4.262 0.973) 8.078 2.590 ( -3.046 25.283 -1.153) 25.492 2.836 ( -5.051 4.794 -1.808) 7.194 2.949 ( -3.277 5.339 -1.317) 6.401 3.252 ( 2.475 -2.852 9.609) 10.325 3.480 ( -1.238 7.044 0.832) 7.200 3.725 ( 6.241 2.327 6.319) 9.181 3.991 ( -4.586 0.651 -2.965) 5.500 4.160 ( 5.775 8.065 3.343) 10.468 4.352 ( -2.421 2.720 -15.666) 16.083 4.585 ( 1.351 1.474 3.317) 3.873 4.674 ( -4.223 2.270 1.173) 4.936 5.291 ( 6.439 -2.247 -6.785) 9.620 5.716 ( 1.176 3.269 7.749) 8.492 5.727 ( -3.750 -3.558 3.569) 6.281 5.783 ( 1.530 0.321 -1.080) 1.900 5.896 ( 2.502 1.233 5.596) 6.253 6.164 ( -2.123 -2.035 7.350) 7.917 6.382 ( 2.904 -6.063 1.248) 6.838 6.529 ( 1.150 0.345 2.728) 2.981 6.764 ( 4.800 19.074 -0.315) 19.671 7.309 ( -5.867 -0.276 0.279) 5.880 7.711 ( 2.772 9.877 2.810) 10.637 7.853 ( 4.362 9.013 -0.392) 10.020 7.987 ( -4.355 3.105 -5.626) 7.763 8.173 ( -2.233 -4.398 2.241) 5.418 8.275 ( 0.010 10.454 4.888) 11.540 8.814 ( 0.547 17.010 -2.189) 17.159 8.976 ( 5.905 -11.551 2.335) 13.181 9.173 ( -0.615 -2.282 0.952) 2.548 9.205 ( -0.044 -5.812 -3.015) 6.548 9.470 ( -6.176 0.661 3.717) 7.238 9.827 ( 1.956 -2.242 -1.108) 3.175 10.378 ( -3.677 -6.507 -2.949) 8.035 10.577 ( 4.798 1.200 0.460) 4.967 10.616 ( -2.950 4.078 7.735) 9.229 10.948 ( -3.260 3.897 1.878) 5.417 11.092 ( -2.411 -4.691 -0.596) 5.308 11.203 ( 5.574 4.983 -7.377) 10.503 11.302 ( -0.148 -1.340 -1.352) 1.910 11.374 ( 0.474 4.373 -5.125) 6.754 11.659 ( 1.965 4.352 -6.593) 8.141 11.816 ( 2.281 8.770 -10.505) 13.873 11.989 ( -1.547 3.807 7.796) 8.813 12.140 ( -3.578 3.894 1.605) 5.527 12.275 ( 4.943 -3.569 -6.978) 9.266 12.899 ( -7.560 -5.057 -4.322) 10.070 13.298 ( -5.276 -9.065 -2.796) 10.855 13.448 ( 1.930 -5.353 6.239) 8.444 13.664 ( 1.457 3.207 4.861) 6.003 13.926 ( 1.178 -8.082 1.176) 8.252 14.316 ( 1.820 -6.006 7.864) 10.061 14.744 ( 2.419 -7.638 -2.205) 8.310 15.085 ( 9.268 -5.543 -0.782) 10.827 15.245 ( 0.215 40.673 -2.055) 40.725 15.754 ( 9.516 20.815 -2.167) 22.989 16.484 ( -9.145 8.809 2.052) 12.863 17.625 ( 14.264 -1.026 0.960) 14.333 17.705 ( -0.092 3.232 1.812) 3.706 17.995 ( 2.687 13.368 -0.289) 13.638 18.131 ( -6.080 4.473 10.251) 12.730 18.362 ( -18.121 1.193 8.963) 20.251 18.479 ( 7.621 -1.218 -14.096) 16.070 19.930 ( -7.988 3.999 12.509) 15.371 20.697 ( -0.945 -3.005 -0.690) 3.225 21.029 ( -1.145 -10.152 -0.966) 10.262 23.214 ( 10.220 10.561 6.385) 16.023 24.772 ( -7.980 6.269 -14.999) 18.110 25.456 ( 5.380 -6.839 3.739) 9.470 26.004 ( 0.716 -3.623 -3.034) 4.779 28.082 ( -9.091 -2.939 -1.685) 9.702 28.445 ( -2.789 -0.527 -0.535) 2.888 ======================= Grid point 162 (80/128) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 0.828 8.000 -15.191) 17.189 1.714 ( 4.118 36.964 -17.204) 40.979 1.922 ( -0.509 25.465 -18.739) 31.621 2.103 ( -12.457 4.664 -5.193) 14.280 2.185 ( 0.868 3.322 -4.324) 5.521 2.290 ( 6.657 13.935 -9.260) 18.007 2.448 ( 1.880 10.700 -0.986) 10.909 2.567 ( 0.745 18.257 -1.735) 18.354 2.812 ( 0.629 9.562 0.722) 9.610 2.920 ( 1.365 -0.288 -2.165) 2.576 3.304 ( 0.799 -2.568 12.782) 13.062 3.496 ( 3.425 5.147 2.854) 6.809 3.698 ( -6.162 5.907 1.949) 8.756 3.978 ( 1.582 0.350 4.101) 4.409 4.204 ( -5.407 -3.277 -15.240) 16.499 4.289 ( -0.536 12.924 6.367) 14.418 4.534 ( -9.524 2.410 0.742) 9.853 4.666 ( 6.751 0.366 1.135) 6.855 5.343 ( 0.227 -1.436 -6.768) 6.923 5.653 ( -2.162 -3.706 7.533) 8.669 5.729 ( 0.223 0.060 -0.724) 0.760 5.867 ( 3.378 -0.814 1.571) 3.813 5.960 ( 3.034 2.241 6.441) 7.464 6.134 ( 0.882 5.991 3.441) 6.965 6.417 ( 0.348 -5.034 1.618) 5.299 6.563 ( 2.218 -7.769 2.446) 8.442 6.817 ( -2.232 27.840 -0.730) 27.939 7.234 ( 0.296 -1.809 0.883) 2.035 7.752 ( 2.120 9.539 0.709) 9.797 7.868 ( -3.618 1.643 3.724) 5.446 7.912 ( -3.504 -1.089 -3.080) 4.791 8.172 ( 2.570 -4.028 0.850) 4.853 8.332 ( 5.429 19.654 -0.842) 20.408 8.795 ( -1.442 18.691 0.568) 18.755 8.969 ( -6.958 -5.995 2.279) 9.463 9.177 ( -2.071 -6.403 -4.165) 7.914 9.238 ( 2.426 -7.834 2.258) 8.506 9.346 ( -2.643 -0.718 5.779) 6.395 9.968 ( 10.974 0.464 -0.940) 11.024 10.291 ( -4.782 -7.093 -5.260) 10.042 10.506 ( -4.552 8.137 9.042) 12.988 10.752 ( 8.335 -4.104 -1.858) 9.475 10.909 ( -0.625 3.427 -1.312) 3.722 11.059 ( -0.999 -4.443 1.383) 4.760 11.216 ( -4.878 -1.381 -0.473) 5.092 11.348 ( 8.346 5.127 -2.822) 10.194 11.433 ( 3.950 4.837 -6.431) 8.964 11.597 ( -6.779 6.249 -12.191) 15.285 11.777 ( -5.096 9.105 -0.802) 10.464 11.951 ( -1.996 -1.173 5.094) 5.596 12.176 ( 5.474 4.368 -3.355) 7.765 12.384 ( 5.459 -3.415 -7.430) 9.832 12.790 ( -2.635 -3.957 -5.522) 7.286 13.235 ( -0.291 -9.360 -3.169) 9.886 13.467 ( -0.137 -4.018 6.616) 7.742 13.693 ( 0.656 0.896 5.057) 5.177 13.954 ( 1.394 -5.394 0.016) 5.571 14.366 ( 2.463 -5.570 5.234) 8.030 14.802 ( 3.767 -8.623 -2.879) 9.841 15.140 ( -2.982 -14.905 -4.021) 15.723 15.275 ( 2.964 50.292 -0.191) 50.380 15.850 ( -2.963 17.976 -0.196) 18.219 16.377 ( 1.145 10.312 1.570) 10.493 17.661 ( 0.642 4.596 2.061) 5.078 17.851 ( 2.973 5.740 0.821) 6.516 17.902 ( -12.103 1.353 14.871) 19.222 17.987 ( -17.510 3.334 7.242) 19.240 18.241 ( 14.604 5.650 -0.931) 15.686 18.639 ( 8.457 -1.299 -13.770) 16.212 19.847 ( -1.058 4.318 13.271) 13.996 20.674 ( -0.683 -2.834 -0.934) 3.061 21.025 ( 0.274 -10.546 -0.697) 10.573 23.298 ( 0.402 10.196 3.453) 10.773 24.713 ( -0.109 6.975 -10.537) 12.637 25.546 ( 3.557 -6.451 3.240) 8.048 25.996 ( -1.561 -4.068 -2.917) 5.244 27.943 ( -4.531 -1.587 -0.438) 4.821 28.408 ( -0.818 -0.447 -0.426) 1.025 ======================= Grid point 163 (81/128) ======================= q-point: (-0.40 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -18.029 6.380 -19.372) 27.222 1.738 ( -0.893 35.188 -13.945) 37.861 1.864 ( -5.263 29.282 -10.589) 31.580 1.897 ( -3.417 5.685 -20.351) 21.404 2.105 ( -6.354 17.307 1.158) 18.473 2.494 ( 12.561 2.066 -0.306) 12.734 2.536 ( 3.216 17.742 -0.949) 18.056 2.659 ( 10.043 8.108 -5.839) 14.167 2.828 ( 0.468 3.322 0.213) 3.362 2.998 ( 6.619 0.257 -3.144) 7.332 3.278 ( -4.409 -0.091 13.251) 13.966 3.552 ( -3.768 9.945 1.595) 10.754 3.649 ( 6.207 2.326 4.460) 7.989 4.002 ( -2.114 -1.011 -1.217) 2.640 4.040 ( -6.936 1.169 -12.761) 14.572 4.194 ( -9.337 9.013 5.141) 13.959 4.397 ( -3.607 4.896 8.052) 10.090 4.822 ( 7.863 0.010 1.161) 7.949 5.279 ( -6.253 -2.875 -9.942) 12.091 5.635 ( -1.259 -2.886 4.658) 5.622 5.741 ( 0.711 0.974 0.326) 1.249 5.861 ( -1.069 -3.960 4.491) 6.083 6.081 ( 8.075 6.831 1.293) 10.656 6.217 ( 6.202 5.546 4.655) 9.534 6.396 ( -2.616 -4.369 2.271) 5.576 6.603 ( 0.224 -6.739 -0.999) 6.816 6.683 ( -8.215 19.638 2.819) 21.472 7.302 ( 4.475 0.312 0.153) 4.489 7.736 ( -6.576 2.132 1.350) 7.044 7.839 ( 2.006 2.224 -1.211) 3.231 7.855 ( 0.577 0.536 2.214) 2.350 8.224 ( 1.829 -4.792 1.463) 5.334 8.468 ( 8.224 26.308 -4.415) 27.915 8.733 ( -7.346 18.855 1.288) 20.276 8.814 ( -7.565 -0.222 4.752) 8.936 9.086 ( -3.546 -6.798 0.180) 7.669 9.215 ( -1.389 -5.189 1.069) 5.477 9.437 ( 6.205 -8.774 3.312) 11.246 10.163 ( 1.739 -4.494 -8.849) 10.076 10.215 ( 4.078 -0.679 2.002) 4.594 10.447 ( -2.274 10.657 8.478) 13.806 10.854 ( 0.172 -5.806 -9.547) 11.176 10.929 ( 3.534 -1.580 -1.521) 4.159 11.057 ( 0.708 -2.266 5.055) 5.584 11.155 ( -0.372 -3.728 -1.823) 4.167 11.405 ( -7.069 6.759 -6.567) 11.781 11.477 ( -1.615 3.819 -5.243) 6.684 11.530 ( 5.620 8.219 1.765) 10.112 11.663 ( -2.431 10.410 -2.607) 11.003 11.952 ( 1.525 -4.127 2.807) 5.219 12.277 ( 4.021 -0.654 -7.697) 8.709 12.425 ( 0.626 0.870 -9.187) 9.249 12.818 ( 5.500 -3.574 -1.252) 6.678 13.293 ( 6.422 -9.023 -2.435) 11.340 13.461 ( -1.072 -3.769 5.198) 6.509 13.692 ( -1.223 0.423 5.268) 5.424 13.973 ( 0.514 -4.495 -0.466) 4.548 14.408 ( 1.307 -5.475 3.541) 6.650 14.872 ( 3.375 -9.685 -3.403) 10.806 15.015 ( -9.299 -8.693 -1.281) 12.793 15.329 ( 3.028 43.555 -3.690) 43.816 15.670 ( -12.222 17.614 -0.018) 21.439 16.497 ( 7.924 9.667 2.371) 12.723 17.576 ( -18.495 1.427 6.702) 19.724 17.685 ( -7.323 4.604 9.046) 12.516 17.743 ( -0.087 3.823 1.408) 4.075 17.890 ( -0.052 13.188 1.997) 13.338 18.560 ( 16.742 -2.953 -0.143) 17.001 18.762 ( 5.451 -1.048 -10.247) 11.654 19.923 ( 7.629 4.883 14.405) 17.016 20.678 ( 0.852 -3.000 -0.117) 3.121 21.029 ( 0.374 -9.894 -0.934) 9.945 23.307 ( 1.100 11.269 5.320) 12.510 24.656 ( -6.005 7.391 -13.890) 16.841 25.596 ( 1.365 -6.108 0.668) 6.294 25.936 ( -4.237 -4.364 -2.097) 6.434 27.922 ( 2.095 -1.259 3.607) 4.357 28.415 ( 1.451 -0.628 0.355) 1.620 ======================= Grid point 164 (82/128) ======================= q-point: (-0.30 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -22.941 9.494 -12.288) 27.702 1.684 ( -3.047 26.915 -10.213) 28.948 1.799 ( -0.273 36.757 -13.959) 39.319 1.848 ( -1.038 3.838 -15.451) 15.954 1.983 ( -3.620 24.905 -4.995) 25.657 2.552 ( -0.865 23.392 0.539) 23.414 2.613 ( -5.215 -1.700 14.504) 15.506 2.882 ( 11.562 -0.969 -5.774) 12.960 2.887 ( 4.175 -4.293 -5.386) 8.054 3.112 ( 5.845 5.102 -3.050) 8.337 3.237 ( 2.786 0.371 6.073) 6.692 3.458 ( -9.738 12.241 10.230) 18.691 3.714 ( 1.373 1.809 -3.600) 4.257 3.855 ( -9.509 1.607 -16.956) 19.506 3.962 ( 3.003 4.096 3.098) 5.949 4.173 ( 3.656 9.175 4.874) 11.014 4.360 ( -0.759 2.929 7.407) 8.001 4.906 ( -0.894 1.551 1.353) 2.244 5.141 ( -4.581 -4.843 -11.177) 13.014 5.588 ( -4.407 0.435 4.342) 6.202 5.739 ( -0.594 -0.981 -1.104) 1.592 5.875 ( 0.136 1.129 0.189) 1.153 6.177 ( -0.336 6.426 -0.947) 6.504 6.315 ( -1.385 -6.804 0.304) 6.951 6.391 ( 6.051 3.501 9.648) 11.915 6.496 ( -3.224 14.447 1.974) 14.933 6.656 ( 0.357 -9.683 3.327) 10.245 7.359 ( 1.225 -3.656 0.924) 3.965 7.597 ( -6.897 0.463 -2.837) 7.472 7.826 ( -0.486 -2.066 1.335) 2.507 7.990 ( 9.310 5.437 2.975) 11.184 8.215 ( -3.835 1.790 2.052) 4.704 8.538 ( -9.955 10.771 -2.236) 14.837 8.591 ( 2.889 24.673 -0.330) 24.844 8.735 ( 1.132 4.154 6.543) 7.832 9.105 ( 3.430 -6.262 -3.022) 7.753 9.200 ( 0.730 -2.322 2.186) 3.272 9.541 ( 4.497 -8.740 2.700) 10.193 10.073 ( -5.381 -6.545 -7.481) 11.303 10.364 ( 4.624 4.375 6.846) 9.348 10.437 ( 1.460 10.993 4.264) 11.881 10.796 ( -3.196 -4.165 -12.440) 13.502 10.948 ( -2.569 -5.222 -3.061) 6.576 11.082 ( -2.132 0.524 2.457) 3.295 11.142 ( -2.892 -4.380 1.103) 5.364 11.303 ( 1.522 4.219 -2.227) 5.008 11.402 ( -1.288 1.619 -0.352) 2.099 11.629 ( 2.479 7.587 -1.612) 8.143 11.704 ( 4.463 10.905 -6.396) 13.407 12.001 ( 2.905 -5.052 2.159) 6.215 12.251 ( -4.879 -2.651 -6.849) 8.817 12.505 ( 8.512 3.270 -8.516) 12.477 12.955 ( 7.886 -5.059 2.857) 9.795 13.408 ( -1.144 -3.249 -0.834) 3.544 13.464 ( 5.523 -8.266 2.035) 10.148 13.667 ( -0.453 1.836 5.763) 6.065 13.978 ( 0.311 -6.472 -0.150) 6.481 14.415 ( -0.948 -5.803 3.871) 7.039 14.790 ( -12.535 -8.484 2.121) 15.284 14.919 ( 0.678 -3.463 -5.296) 6.364 15.377 ( -1.855 28.802 -5.617) 29.404 15.481 ( -2.228 23.910 -1.480) 24.059 16.631 ( 5.887 11.953 3.112) 13.683 17.249 ( -14.415 1.080 0.166) 14.456 17.529 ( -6.505 5.310 6.149) 10.408 17.807 ( 1.153 2.089 3.641) 4.353 17.917 ( 4.836 14.533 -1.751) 15.416 18.813 ( 4.093 -2.773 -5.436) 7.348 18.878 ( 12.759 -3.910 -1.134) 13.393 20.143 ( 12.981 4.665 14.397) 19.938 20.684 ( -0.963 -3.343 0.385) 3.500 21.052 ( 2.536 -8.809 -0.384) 9.174 23.329 ( -2.234 14.394 -0.381) 14.571 24.481 ( -7.685 8.364 -9.148) 14.584 25.589 ( -2.275 -5.537 -5.267) 7.974 25.857 ( -3.012 -4.893 1.475) 5.932 28.004 ( 4.868 -1.678 7.920) 9.447 28.454 ( 2.230 -1.016 1.466) 2.855 ======================= Grid point 165 (83/128) ======================= q-point: (-0.20 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -5.836 13.271 9.722) 17.456 1.558 ( -8.485 36.195 3.636) 37.354 1.805 ( -0.474 45.556 -8.960) 46.431 1.840 ( 2.040 -0.760 -12.777) 12.961 2.053 ( 10.082 12.138 -15.408) 22.054 2.431 ( -12.122 -1.455 19.330) 22.863 2.516 ( -2.170 22.308 -0.503) 22.419 2.819 ( -9.584 7.564 -0.936) 12.245 2.963 ( -5.502 -3.664 0.693) 6.647 3.175 ( -2.494 -0.089 -2.674) 3.658 3.306 ( 6.333 12.445 4.914) 14.803 3.397 ( 6.032 -4.408 -3.408) 8.212 3.766 ( 3.365 2.089 -13.379) 13.953 3.838 ( 9.036 7.253 -0.724) 11.609 4.006 ( 0.593 4.615 -5.297) 7.050 4.224 ( 1.436 6.423 4.372) 7.901 4.429 ( 7.303 2.833 2.837) 8.331 4.825 ( -4.564 2.501 -6.344) 8.205 5.092 ( -1.689 -1.904 -3.532) 4.354 5.473 ( -8.030 -0.246 5.884) 9.958 5.681 ( -7.361 4.528 -6.122) 10.591 5.808 ( -5.346 7.997 -3.156) 10.124 6.081 ( -8.154 0.708 1.279) 8.284 6.289 ( 0.312 -8.958 -0.156) 8.965 6.436 ( 0.886 1.308 8.474) 8.620 6.628 ( 8.868 4.294 7.379) 12.310 6.662 ( 1.178 -10.448 3.625) 11.121 7.346 ( -3.424 -9.341 1.616) 10.079 7.489 ( -3.309 -1.159 -5.098) 6.187 7.805 ( -1.936 -1.844 0.807) 2.793 8.085 ( -4.387 13.962 6.767) 16.124 8.220 ( 10.826 5.788 1.206) 12.335 8.401 ( -3.934 -3.222 -2.862) 5.835 8.641 ( 4.117 25.834 4.585) 26.559 8.791 ( 0.031 -2.638 2.278) 3.486 9.167 ( 6.058 0.127 -3.667) 7.083 9.277 ( 4.964 -2.967 3.157) 6.589 9.629 ( 4.932 -4.822 1.415) 7.041 9.949 ( -7.483 -4.299 -4.439) 9.705 10.385 ( -0.732 8.086 10.578) 13.335 10.511 ( 4.102 8.222 1.288) 9.278 10.750 ( -0.565 -4.612 -7.543) 8.860 10.817 ( -10.120 -2.370 -2.579) 10.709 10.953 ( -4.289 1.152 -3.180) 5.463 11.180 ( 1.904 -8.817 5.464) 10.546 11.344 ( 0.828 1.963 -2.354) 3.175 11.447 ( 5.119 2.030 -2.241) 5.946 11.624 ( -2.266 5.956 -6.232) 8.914 11.784 ( 4.274 9.992 -5.752) 12.296 11.998 ( -5.279 0.574 -1.422) 5.497 12.196 ( 2.155 -3.560 -1.583) 4.452 12.687 ( 9.642 -0.885 -4.539) 10.694 13.082 ( 2.605 -3.821 4.763) 6.638 13.352 ( -0.611 -4.597 -2.540) 5.287 13.455 ( -7.500 2.671 6.669) 10.385 13.782 ( 10.348 -5.895 2.129) 12.098 13.993 ( 1.308 -9.043 0.719) 9.165 14.379 ( -3.116 -6.177 6.687) 9.621 14.556 ( -11.562 -4.991 3.241) 13.004 14.899 ( -2.044 -0.581 -7.340) 7.642 15.216 ( -9.571 16.860 -0.308) 19.390 15.618 ( 11.431 25.723 -6.896) 28.981 16.725 ( 1.976 21.694 3.322) 22.035 17.108 ( 3.781 -7.181 -8.977) 12.101 17.467 ( 0.365 6.471 -0.683) 6.517 17.783 ( -2.901 3.491 6.459) 7.894 18.054 ( 8.112 11.241 -3.026) 14.189 18.834 ( -0.317 -1.735 -3.027) 3.503 19.120 ( 11.314 -5.718 -0.878) 12.708 20.381 ( 8.364 2.231 10.878) 13.902 20.633 ( -3.929 -3.617 -0.090) 5.341 21.128 ( 4.928 -7.715 1.252) 9.240 22.958 ( -39.525 26.684 -35.725) 59.586 24.637 ( 28.890 5.261 28.132) 40.666 25.503 ( -5.262 -6.040 -10.105) 12.895 25.840 ( 0.702 -3.984 4.443) 6.008 28.076 ( 0.743 -2.310 8.995) 9.317 28.495 ( 1.726 -1.618 2.401) 3.371 ======================= Grid point 166 (84/128) ======================= q-point: (-0.10 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 15.288 9.387 22.662) 28.903 1.426 ( -5.288 34.595 10.265) 36.471 1.766 ( -2.596 42.061 -6.972) 42.714 1.891 ( 3.081 2.833 -10.722) 11.511 2.071 ( -9.051 18.417 18.244) 27.458 2.258 ( -6.267 -1.343 18.924) 19.980 2.556 ( 5.211 23.454 -4.287) 24.405 2.668 ( -0.710 9.729 -14.884) 17.796 2.843 ( -4.728 0.313 0.063) 4.739 3.165 ( 1.314 -1.320 -11.297) 11.450 3.430 ( 1.375 -3.242 -7.685) 8.453 3.473 ( 7.309 10.757 -0.300) 13.009 3.874 ( 3.957 1.759 -6.656) 7.940 3.904 ( -0.147 3.576 -3.659) 5.118 4.081 ( 6.562 6.821 -8.753) 12.892 4.293 ( 5.575 -0.888 6.420) 8.549 4.588 ( 8.238 4.964 0.271) 9.622 4.751 ( -2.740 9.288 -8.799) 13.085 5.062 ( -0.574 -1.419 -0.406) 1.584 5.270 ( -14.668 -2.823 4.213) 15.520 5.495 ( -7.192 16.888 -5.622) 19.197 5.695 ( -6.954 -0.069 -1.126) 7.044 5.911 ( -8.075 -2.598 -2.084) 8.735 6.318 ( 1.759 -11.023 4.436) 12.012 6.461 ( 1.000 -2.078 9.435) 9.712 6.669 ( 0.310 -7.550 4.686) 8.891 6.787 ( 5.221 -0.115 4.424) 6.844 7.220 ( -8.656 -6.639 0.747) 10.934 7.476 ( 1.828 -7.227 -5.266) 9.127 7.787 ( 0.141 -1.953 -0.524) 2.028 8.051 ( 0.538 14.839 3.958) 15.367 8.336 ( 0.692 -3.575 -4.591) 5.860 8.460 ( 8.132 3.230 3.754) 9.522 8.711 ( -0.932 0.704 -4.250) 4.407 8.776 ( 3.660 15.091 6.319) 16.765 9.315 ( 3.498 3.021 -2.519) 5.264 9.371 ( 8.151 -4.166 5.144) 10.501 9.724 ( 2.494 -3.518 1.686) 4.630 9.804 ( -3.568 -1.550 2.220) 4.479 10.391 ( 0.487 6.890 11.984) 13.832 10.543 ( -3.230 1.210 -1.936) 3.955 10.688 ( 0.406 -0.909 -4.347) 4.460 10.749 ( 0.539 -3.930 -1.190) 4.141 10.910 ( -0.637 3.259 -1.509) 3.647 11.156 ( -2.868 -3.500 1.507) 4.770 11.405 ( 4.322 -0.742 -3.457) 5.584 11.489 ( -8.021 7.440 -5.198) 12.112 11.550 ( 2.076 1.397 -4.343) 5.012 11.852 ( 0.752 1.826 -2.954) 3.553 11.890 ( -0.971 12.689 -0.817) 12.752 12.282 ( 5.575 -4.813 -0.661) 7.395 12.759 ( -6.079 -8.624 -0.402) 10.559 13.069 ( 1.578 6.816 -0.963) 7.062 13.262 ( -11.538 5.387 8.117) 15.100 13.450 ( 8.131 -10.338 0.005) 13.152 13.949 ( 4.202 -9.395 5.662) 11.747 14.037 ( 4.428 -7.355 -1.942) 8.802 14.305 ( -6.264 -7.016 8.713) 12.821 14.371 ( -6.272 -1.498 5.059) 8.196 14.837 ( -3.546 -0.380 -8.122) 8.871 15.069 ( -5.226 15.936 0.120) 16.771 15.818 ( 8.196 19.151 -5.727) 21.604 16.708 ( -1.204 19.279 -1.902) 19.410 17.315 ( 8.891 -8.115 -5.753) 13.342 17.625 ( 13.486 -1.330 -10.580) 17.193 17.745 ( 5.741 5.953 8.270) 11.696 18.201 ( 7.668 12.654 -4.937) 15.597 18.804 ( -2.579 -1.883 0.845) 3.303 19.307 ( 8.565 -4.573 -1.486) 9.822 20.342 ( -18.984 -1.086 2.722) 19.209 20.555 ( -3.642 -3.356 -0.221) 4.957 21.222 ( 3.992 -7.146 2.170) 8.468 21.901 ( -55.909 54.680 -38.828) 87.312 25.342 ( 1.344 -10.575 -5.057) 11.799 25.628 ( 53.137 -4.071 28.462) 60.417 25.882 ( 4.491 -1.556 4.942) 6.857 28.012 ( -8.449 -1.967 5.021) 10.023 28.524 ( 1.120 -2.263 2.828) 3.792 ======================= Grid point 167 (85/128) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -3.015 12.398 9.649) 15.996 1.727 ( 3.729 8.982 22.283) 24.313 1.829 ( 0.925 -1.981 -10.407) 10.634 2.166 ( 3.232 -4.032 19.457) 20.131 2.390 ( 4.213 24.146 -4.839) 24.984 2.719 ( -4.967 9.623 -11.483) 15.784 2.843 ( -0.403 7.626 1.010) 7.703 2.871 ( 5.245 18.848 -0.268) 19.566 3.126 ( 2.518 -1.772 -9.357) 9.850 3.216 ( 1.223 34.557 0.950) 34.592 3.399 ( 3.396 -0.056 -13.595) 14.013 3.877 ( -0.906 3.910 -13.981) 14.546 4.032 ( 4.655 16.752 0.066) 17.387 4.122 ( -2.167 27.592 -1.754) 27.733 4.284 ( 4.581 3.943 -9.852) 11.559 4.361 ( 1.214 1.153 2.405) 2.931 4.757 ( -1.736 4.306 1.595) 4.909 4.945 ( -11.873 0.375 4.269) 12.623 4.952 ( 6.658 2.675 -3.088) 7.812 5.005 ( -1.366 -1.877 -2.540) 3.441 5.506 ( 0.982 -12.310 -1.454) 12.434 5.694 ( -2.520 2.500 -0.682) 3.615 5.729 ( -4.156 6.183 -5.242) 9.109 6.159 ( 1.404 -8.490 4.590) 9.753 6.433 ( -1.275 0.524 10.907) 10.994 6.579 ( -1.537 -0.872 4.984) 5.288 6.907 ( 6.039 -4.471 2.538) 7.931 6.971 ( -8.132 1.354 2.290) 8.556 7.376 ( 2.053 -3.403 -5.189) 6.536 7.723 ( -1.731 -6.458 2.152) 7.024 8.106 ( -0.545 -3.685 1.733) 4.108 8.221 ( 4.268 -12.291 -3.841) 13.566 8.564 ( -0.022 4.851 -1.347) 5.035 8.730 ( 0.789 0.933 2.461) 2.747 9.071 ( 0.715 13.910 6.402) 15.330 9.401 ( 0.062 -5.698 2.536) 6.237 9.516 ( -0.502 -4.180 0.483) 4.238 9.610 ( -6.616 7.186 -7.304) 12.196 9.737 ( 13.062 -9.125 13.402) 20.820 10.248 ( -6.285 -10.702 -6.748) 14.127 10.504 ( -2.284 0.626 0.365) 2.396 10.684 ( 3.632 0.593 4.388) 5.727 10.837 ( 1.424 -2.912 0.924) 3.371 11.019 ( 3.674 8.485 -2.972) 9.712 11.218 ( 2.516 -0.776 -1.474) 3.018 11.401 ( -8.271 3.714 -9.768) 13.327 11.437 ( 1.230 3.458 -1.223) 3.868 11.672 ( -0.227 5.314 -2.793) 6.008 12.001 ( 2.580 9.608 5.108) 11.183 12.148 ( 1.770 10.821 -0.327) 10.969 12.320 ( 7.808 -3.562 -2.315) 8.889 12.439 ( -10.813 -0.365 -4.405) 11.681 13.174 ( -4.796 -1.456 2.283) 5.508 13.208 ( -2.821 -0.864 11.737) 12.102 13.303 ( -0.782 -5.771 0.422) 5.839 13.740 ( 1.062 -8.909 4.461) 10.020 13.955 ( -4.842 -9.446 1.171) 10.679 14.044 ( 2.056 -8.663 5.785) 10.618 14.365 ( 2.786 0.213 2.783) 3.944 14.609 ( -4.396 -7.606 -2.073) 9.026 15.397 ( -0.578 21.651 -0.457) 21.664 16.327 ( 3.796 5.955 -4.934) 8.615 17.111 ( -0.186 33.329 -3.146) 33.478 17.299 ( -3.456 3.965 -1.607) 5.500 17.540 ( -0.029 -1.112 -2.498) 2.735 18.197 ( 6.869 11.476 0.453) 13.382 18.565 ( -0.242 4.906 -8.742) 10.028 18.679 ( -4.016 -2.679 4.530) 6.620 19.494 ( 3.532 8.489 1.437) 9.306 19.978 ( -8.921 6.954 1.137) 11.368 20.424 ( -0.379 -5.498 0.753) 5.562 21.067 ( 0.676 -13.976 3.572) 14.441 22.498 ( -14.140 64.439 -26.918) 71.253 24.956 ( -4.937 -21.730 -10.533) 24.648 25.895 ( 3.995 -0.762 2.954) 5.026 26.285 ( 22.603 -19.772 10.992) 31.978 27.900 ( -0.989 5.108 1.061) 5.309 28.451 ( 0.589 -7.300 2.472) 7.730 ======================= Grid point 168 (86/128) ======================= q-point: ( 0.10 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -5.622 16.561 7.180) 18.906 1.779 ( -0.457 -2.857 -7.649) 8.178 1.972 ( 11.704 13.258 10.942) 20.797 2.270 ( 4.065 -0.056 3.557) 5.402 2.492 ( 1.980 8.492 -2.178) 8.988 2.579 ( -4.200 14.079 -10.849) 18.264 2.858 ( 2.931 5.219 1.100) 6.086 2.979 ( 4.515 16.498 5.667) 18.019 3.147 ( 1.291 5.492 0.894) 5.712 3.213 ( -1.865 29.850 -1.149) 29.930 3.445 ( 2.644 1.492 -17.736) 17.994 3.840 ( -3.582 13.927 -13.377) 19.640 3.953 ( -9.775 8.230 -0.909) 12.811 4.178 ( 6.847 23.972 -11.497) 27.454 4.332 ( 0.936 5.776 -11.020) 12.478 4.388 ( 3.024 1.113 2.338) 3.981 4.617 ( -12.270 4.402 3.195) 13.422 4.764 ( -3.161 3.519 4.815) 6.749 4.950 ( -3.250 -1.440 0.600) 3.605 5.178 ( 13.237 1.632 0.742) 13.358 5.578 ( 4.609 -10.333 -1.955) 11.482 5.692 ( 3.690 7.528 -0.154) 8.385 5.777 ( 6.968 -3.241 0.641) 7.712 6.164 ( -1.375 -8.482 2.812) 9.042 6.386 ( -5.307 -0.667 12.033) 13.168 6.540 ( -2.073 0.551 4.861) 5.314 6.841 ( -4.142 0.658 1.144) 4.347 7.072 ( 9.395 -2.795 3.674) 10.468 7.436 ( 4.674 -3.245 -5.091) 7.635 7.692 ( -1.116 -5.655 2.549) 6.302 8.125 ( 2.144 -1.273 0.685) 2.586 8.317 ( 5.713 -13.418 -3.308) 14.954 8.565 ( -1.003 5.743 -0.394) 5.843 8.705 ( -1.526 1.040 2.137) 2.824 9.021 ( -7.302 15.558 7.501) 18.752 9.319 ( -4.884 -6.654 1.616) 8.411 9.498 ( -0.981 -3.286 1.155) 3.619 9.510 ( -4.308 7.441 -3.462) 9.269 10.028 ( 6.519 -7.242 2.393) 10.034 10.182 ( 4.455 -11.645 -1.665) 12.579 10.482 ( -0.354 -0.911 -0.125) 0.985 10.720 ( -2.712 3.669 1.410) 4.776 10.827 ( 2.984 -4.665 -0.340) 5.548 11.127 ( 0.314 3.144 -7.764) 8.382 11.221 ( 6.015 6.894 1.918) 9.348 11.309 ( -2.240 -1.026 -4.198) 4.867 11.411 ( -3.466 5.190 -2.259) 6.638 11.683 ( 1.859 7.495 -4.476) 8.926 11.996 ( -5.001 10.875 2.096) 12.152 12.137 ( -0.940 13.478 1.098) 13.555 12.261 ( -5.629 -0.532 -5.994) 8.240 12.531 ( 10.203 -5.853 0.987) 11.804 13.034 ( -4.826 6.477 5.141) 9.575 13.195 ( -3.289 -15.039 8.449) 17.561 13.276 ( -1.464 -6.929 2.981) 7.684 13.751 ( -0.985 -7.386 5.332) 9.163 13.815 ( -7.265 -7.850 2.527) 10.990 14.115 ( 2.810 -8.076 5.247) 10.032 14.431 ( 2.010 -3.393 1.026) 4.075 14.554 ( 0.854 -4.782 -1.554) 5.100 15.432 ( 4.424 20.800 -0.313) 21.268 16.412 ( 5.485 6.010 -7.655) 11.172 16.950 ( -16.105 31.471 5.412) 35.764 17.271 ( 2.719 20.390 -2.305) 20.700 17.614 ( 7.972 -0.276 -9.755) 12.601 18.234 ( -2.714 8.551 0.701) 8.998 18.461 ( -7.504 10.815 -7.942) 15.373 18.600 ( -4.564 -0.837 6.810) 8.240 19.253 ( -16.057 7.981 1.641) 18.005 20.174 ( 13.956 0.795 6.654) 15.482 20.441 ( 1.548 -5.134 1.223) 5.500 21.058 ( -1.824 -13.015 2.516) 13.380 22.460 ( 10.986 56.594 -10.640) 58.624 24.901 ( 0.215 -22.667 -5.563) 23.341 25.925 ( -1.283 -0.401 -1.131) 1.756 26.295 ( -17.695 -14.730 -8.204) 24.442 28.035 ( 11.390 -1.419 2.642) 11.778 28.466 ( 0.659 -6.885 1.921) 7.178 ======================= Grid point 169 (87/128) ======================= q-point: ( 0.20 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 9.764 17.258 -7.095) 21.060 1.767 ( -0.072 -2.068 -12.025) 12.202 2.084 ( -5.171 12.289 -9.727) 16.504 2.306 ( 6.179 9.006 -0.028) 10.922 2.498 ( 2.847 1.989 5.239) 6.285 2.569 ( -0.477 13.505 -3.270) 13.904 2.934 ( -4.750 -2.737 -0.186) 5.486 2.984 ( 4.474 5.514 0.133) 7.102 3.141 ( -3.938 18.675 -3.314) 19.371 3.290 ( 11.293 23.175 10.707) 27.915 3.463 ( -0.950 3.050 -13.307) 13.685 3.634 ( -15.903 16.679 -4.810) 23.542 3.827 ( -0.528 15.976 -8.658) 18.179 4.221 ( -3.390 16.610 -6.935) 18.316 4.320 ( -3.953 8.349 -4.162) 10.132 4.455 ( 3.356 3.071 -7.434) 8.715 4.505 ( 3.150 -1.803 2.432) 4.369 4.758 ( 0.930 4.274 6.151) 7.548 4.915 ( 1.901 0.129 -1.684) 2.543 5.429 ( 11.799 -2.556 1.404) 12.154 5.638 ( 2.218 -2.478 0.653) 3.389 5.817 ( 7.453 0.579 1.639) 7.653 5.909 ( 4.122 -2.065 2.677) 5.331 6.116 ( -2.207 -13.418 0.175) 13.600 6.263 ( -7.965 4.456 14.042) 16.748 6.528 ( 0.172 0.718 4.788) 4.845 6.807 ( 0.682 4.156 -0.335) 4.225 7.253 ( 8.449 -4.033 2.695) 9.742 7.553 ( 8.062 0.147 -3.684) 8.865 7.697 ( 1.327 -4.489 2.678) 5.392 8.175 ( 2.492 1.429 0.844) 2.994 8.404 ( 0.074 -12.333 0.315) 12.338 8.514 ( -0.398 4.980 -2.476) 5.576 8.700 ( -0.411 7.395 4.471) 8.651 8.901 ( -3.108 8.845 5.947) 11.102 9.225 ( -6.338 -6.718 -0.060) 9.236 9.375 ( -4.791 9.179 -5.034) 11.513 9.511 ( -0.806 0.397 4.014) 4.113 9.993 ( -5.261 -4.253 -8.204) 10.633 10.286 ( 1.101 -7.199 7.030) 10.122 10.491 ( 0.503 -1.715 -1.069) 2.082 10.678 ( 0.399 -2.225 -0.920) 2.440 10.949 ( 7.296 -3.864 1.777) 8.445 11.099 ( 0.369 5.772 -5.892) 8.257 11.259 ( -2.563 -1.977 -1.473) 3.556 11.303 ( -1.775 4.979 -5.069) 7.323 11.430 ( 7.125 9.110 2.668) 11.869 11.736 ( 4.724 10.213 -7.439) 13.489 11.866 ( -6.287 10.207 -0.104) 11.988 12.112 ( -3.387 6.453 -0.761) 7.328 12.200 ( -0.058 4.336 -1.657) 4.642 12.573 ( -5.739 1.955 0.158) 6.065 13.045 ( -0.941 -10.253 -0.544) 10.310 13.117 ( 0.169 -8.862 6.434) 10.953 13.266 ( -0.662 -7.786 6.193) 9.971 13.669 ( -5.135 -12.399 3.982) 13.998 13.754 ( -0.840 -0.115 3.079) 3.194 14.144 ( -0.329 -9.044 7.680) 11.870 14.472 ( 3.994 -3.956 0.205) 5.625 14.621 ( 4.606 -6.329 -3.195) 8.455 15.564 ( 8.955 18.524 -0.638) 20.585 16.517 ( 5.878 10.241 -9.227) 14.986 16.679 ( -9.968 38.227 5.684) 39.912 17.344 ( 4.662 21.845 1.292) 22.374 17.802 ( 11.408 1.207 -10.780) 15.742 18.130 ( -6.794 6.910 0.960) 9.738 18.347 ( -3.381 13.090 -4.635) 14.292 18.515 ( -5.203 0.160 7.829) 9.402 18.986 ( -12.933 4.335 3.067) 13.981 20.307 ( -0.932 0.781 8.713) 8.797 20.472 ( 1.990 -8.020 1.060) 8.330 20.998 ( -4.723 -12.037 0.476) 12.939 22.821 ( 23.976 41.615 1.683) 48.057 24.956 ( 5.507 -20.904 -0.430) 21.621 25.711 ( -24.678 -0.718 -14.526) 28.645 25.969 ( -6.254 -3.614 -5.770) 9.245 28.189 ( 3.016 -4.918 1.698) 6.013 28.472 ( -0.366 -5.864 1.044) 5.967 ======================= Grid point 170 (88/128) ======================= q-point: ( 0.30 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 18.815 11.157 -18.932) 28.929 1.739 ( -1.139 2.214 -16.182) 16.373 1.966 ( -1.248 9.459 -13.491) 16.524 2.415 ( -1.489 -0.771 -1.532) 2.272 2.514 ( 4.910 13.883 6.796) 16.218 2.647 ( 3.774 15.109 -1.380) 15.634 2.783 ( -6.847 1.861 -2.296) 7.457 2.960 ( -6.986 -3.358 -1.713) 7.938 3.144 ( 2.336 12.756 -0.046) 12.968 3.324 ( -11.395 22.646 -2.623) 25.486 3.357 ( -8.758 15.144 -6.394) 18.626 3.551 ( 11.940 10.910 8.441) 18.244 3.869 ( 3.486 18.645 -9.078) 21.028 4.117 ( -5.297 9.598 -4.094) 11.703 4.251 ( -2.459 8.373 2.323) 9.031 4.480 ( 0.408 4.216 -8.140) 9.176 4.567 ( 2.259 -2.161 0.063) 3.127 4.769 ( -0.527 5.055 6.391) 8.166 5.050 ( 9.419 -4.432 -4.888) 11.500 5.598 ( 5.039 -6.726 -0.133) 8.406 5.689 ( 3.695 1.915 3.591) 5.497 5.860 ( -4.399 0.265 0.345) 4.420 5.963 ( 4.284 -2.988 4.901) 7.162 6.100 ( -4.634 -3.030 9.121) 10.670 6.175 ( 2.422 -1.971 3.801) 4.919 6.524 ( -1.755 -1.789 4.828) 5.439 6.878 ( 6.804 7.746 -0.936) 10.352 7.380 ( 4.279 -1.917 1.547) 4.938 7.720 ( 5.815 -2.936 -1.693) 6.730 7.744 ( 6.008 3.339 2.278) 7.241 8.182 ( -4.013 2.533 0.762) 4.806 8.299 ( -4.599 4.484 0.159) 6.426 8.594 ( 2.655 -9.355 0.249) 9.728 8.698 ( 2.618 16.770 7.805) 18.682 8.924 ( 3.733 1.182 -1.592) 4.227 9.090 ( -5.836 -5.201 -1.900) 8.045 9.341 ( -0.228 10.455 0.034) 10.457 9.487 ( -1.374 -1.261 2.061) 2.780 9.842 ( -8.027 -1.753 -6.401) 10.416 10.292 ( -1.040 -6.924 3.760) 7.948 10.499 ( 1.638 -0.476 -2.054) 2.670 10.689 ( -0.508 -2.688 3.406) 4.368 10.986 ( -2.458 -6.865 1.306) 7.408 11.172 ( 3.805 10.086 1.775) 10.925 11.217 ( -0.646 -0.180 -3.404) 3.470 11.304 ( 3.057 5.714 -11.709) 13.383 11.514 ( 1.327 10.694 3.684) 11.388 11.782 ( -2.500 10.032 1.451) 10.440 11.884 ( 11.003 10.021 -11.580) 18.857 12.037 ( -3.304 -3.749 -5.441) 7.387 12.209 ( -0.532 8.292 4.108) 9.270 12.415 ( -8.444 5.584 -2.698) 10.477 12.916 ( -8.159 -10.087 -2.254) 13.168 13.145 ( -3.586 -17.448 4.324) 18.330 13.288 ( 3.407 -2.127 4.306) 5.888 13.617 ( -1.079 -10.538 3.338) 11.107 13.770 ( 2.470 0.547 2.784) 3.762 14.142 ( 0.297 -8.884 7.759) 11.799 14.555 ( 3.343 -5.955 -1.101) 6.917 14.723 ( 6.464 -8.719 -3.138) 11.298 15.751 ( 10.272 17.959 -0.850) 20.707 16.592 ( 0.786 64.685 -1.821) 64.715 16.606 ( 2.073 -7.089 -1.994) 7.650 17.464 ( 8.254 15.413 3.085) 17.754 17.905 ( -4.403 8.331 4.014) 10.243 18.099 ( 7.229 0.331 -8.440) 11.117 18.309 ( -0.943 9.429 -2.857) 9.898 18.410 ( -5.865 -0.741 5.931) 8.374 18.747 ( -12.160 9.391 4.308) 15.957 20.201 ( -8.980 4.976 8.611) 13.400 20.527 ( 3.215 -12.755 0.569) 13.166 20.881 ( -6.990 -12.056 -1.156) 13.984 23.270 ( 20.240 30.013 7.596) 36.989 25.090 ( 7.641 -17.679 2.957) 19.485 25.230 ( -20.189 7.936 -16.821) 27.451 25.903 ( -1.801 -7.063 -4.814) 8.735 28.163 ( -4.878 -2.969 0.129) 5.712 28.448 ( -2.152 -5.111 0.066) 5.546 ======================= Grid point 171 (89/128) ======================= q-point: ( 0.40 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 5.524 5.121 -17.311) 18.879 1.814 ( 8.584 3.488 -23.621) 25.374 2.051 ( 10.511 8.748 -9.734) 16.786 2.379 ( 1.267 -0.349 -1.570) 2.048 2.458 ( -14.307 2.635 -2.298) 14.728 2.616 ( -0.478 17.755 -3.234) 18.054 2.779 ( -0.205 9.900 -2.508) 10.215 2.906 ( 3.637 5.760 -1.343) 6.944 3.065 ( -8.285 7.327 2.333) 11.304 3.171 ( -7.602 10.664 -0.039) 13.097 3.259 ( 1.556 25.498 1.729) 25.604 3.759 ( 8.451 8.457 4.866) 12.908 3.882 ( -3.004 26.870 -0.891) 27.053 4.013 ( -3.728 1.182 -5.055) 6.391 4.239 ( -0.349 4.209 -3.330) 5.379 4.502 ( 3.318 9.214 -1.195) 9.866 4.593 ( 0.405 -1.063 0.054) 1.138 4.733 ( -4.327 4.324 2.787) 6.722 5.180 ( 4.544 -9.807 -2.612) 11.120 5.633 ( -1.058 -6.753 1.068) 6.918 5.761 ( 0.485 0.907 7.029) 7.104 5.798 ( 0.225 0.779 -0.446) 0.925 5.987 ( 0.474 7.465 5.235) 9.130 6.098 ( 3.424 -5.134 5.013) 7.950 6.248 ( 3.633 -5.443 1.498) 6.714 6.467 ( -4.161 -4.587 3.777) 7.254 7.043 ( 9.602 7.073 -0.212) 11.927 7.406 ( -1.849 5.738 0.619) 6.060 7.768 ( 1.831 -4.618 0.809) 5.033 7.886 ( 4.782 4.730 2.197) 7.076 8.037 ( -8.175 5.098 -0.622) 9.654 8.283 ( 0.344 10.144 4.275) 11.013 8.593 ( 0.681 3.280 0.183) 3.355 8.826 ( 7.698 2.689 0.411) 8.164 8.948 ( -2.353 -9.791 -1.546) 10.187 9.057 ( 2.221 0.434 -1.421) 2.672 9.312 ( -3.094 16.199 1.047) 16.525 9.447 ( -4.037 -2.167 1.302) 4.763 9.780 ( 3.981 -1.943 -2.570) 5.121 10.237 ( -4.592 -7.500 -0.311) 8.799 10.562 ( 4.611 -2.203 -0.944) 5.196 10.664 ( -1.957 -0.255 6.058) 6.372 10.929 ( -2.945 -3.820 1.655) 5.099 11.166 ( -2.168 12.985 1.895) 13.301 11.252 ( 2.419 -3.811 -1.514) 4.761 11.380 ( 5.437 7.130 -10.438) 13.760 11.503 ( -1.954 12.353 -0.600) 12.521 11.774 ( 0.738 7.625 -1.928) 7.899 11.966 ( -3.009 -0.241 -9.445) 9.916 12.088 ( 4.781 6.658 -7.819) 11.328 12.162 ( 0.677 5.161 5.421) 7.515 12.315 ( -1.891 5.604 -3.612) 6.930 12.763 ( -7.040 -9.094 -2.668) 11.806 13.051 ( -4.493 -15.612 -1.828) 16.348 13.347 ( 1.641 -4.659 7.816) 9.246 13.606 ( -0.707 -10.000 3.567) 10.641 13.845 ( 4.610 1.475 0.789) 4.904 14.179 ( 2.682 -7.943 6.045) 10.335 14.597 ( 1.751 -6.332 -2.361) 6.981 14.826 ( 3.487 -13.108 -3.411) 13.986 15.953 ( 10.444 19.443 -0.815) 22.085 16.581 ( -4.024 8.015 2.901) 9.426 16.640 ( 2.466 59.177 -4.630) 59.409 17.673 ( 12.656 5.641 3.613) 14.319 17.795 ( -5.160 5.260 4.410) 8.587 18.155 ( -4.951 5.168 10.197) 12.458 18.235 ( -7.886 1.465 0.911) 8.072 18.407 ( 6.448 -2.546 -10.839) 12.867 18.564 ( -5.237 19.107 2.812) 20.011 20.038 ( -7.530 6.106 7.786) 12.434 20.582 ( 2.115 -11.006 0.049) 11.208 20.756 ( -5.012 -15.679 -1.282) 16.511 23.553 ( 8.220 25.019 6.225) 27.061 24.962 ( -6.130 13.280 -12.346) 19.141 25.233 ( 6.195 -16.755 4.841) 18.508 25.880 ( -0.369 -9.602 -4.580) 10.645 28.040 ( -6.844 -0.296 -1.067) 6.933 28.398 ( -2.643 -4.923 -0.541) 5.613 ======================= Grid point 172 (90/128) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 2.926 5.282 -14.542) 15.746 1.890 ( 2.123 2.686 -27.233) 27.447 2.171 ( -12.439 3.105 -7.085) 14.648 2.190 ( 3.413 0.125 -4.776) 5.872 2.461 ( 1.001 10.008 -5.172) 11.310 2.631 ( 8.478 16.173 -4.550) 18.819 2.779 ( -1.624 8.913 -1.311) 9.154 2.869 ( -3.546 -1.666 -2.621) 4.714 2.981 ( -1.893 2.048 2.611) 3.820 3.127 ( 1.735 42.284 1.459) 42.344 3.321 ( 3.815 3.397 7.281) 8.894 3.769 ( -5.955 15.750 2.846) 17.077 3.876 ( 2.860 19.311 0.538) 19.529 3.991 ( 0.997 1.098 -1.007) 1.793 4.188 ( -4.072 5.192 -7.534) 10.015 4.540 ( -8.519 5.578 6.304) 11.977 4.561 ( -1.605 5.274 -0.406) 5.527 4.684 ( 5.250 2.080 0.622) 5.681 5.248 ( 2.860 -9.318 -4.645) 10.797 5.583 ( -3.959 -3.891 5.624) 7.902 5.723 ( -1.335 -0.843 2.628) 3.066 5.832 ( -0.252 -1.860 4.463) 4.842 6.064 ( 6.839 6.860 -0.118) 9.688 6.171 ( 3.054 -4.201 4.574) 6.920 6.308 ( 2.456 -3.126 1.609) 4.289 6.394 ( -2.982 -8.445 2.387) 9.269 7.203 ( 4.570 0.901 -0.485) 4.683 7.331 ( -3.800 18.135 -0.058) 18.529 7.778 ( -2.038 -4.661 2.692) 5.756 7.911 ( -2.213 1.756 4.316) 5.158 7.926 ( -1.705 6.623 0.305) 6.845 8.278 ( -1.252 11.313 4.237) 12.145 8.655 ( 4.302 1.148 -3.641) 5.752 8.895 ( -2.162 -8.358 0.338) 8.640 8.957 ( 4.753 3.576 -1.735) 6.196 9.072 ( -0.019 -5.643 -6.374) 8.513 9.256 ( -2.190 16.550 3.227) 17.004 9.359 ( -4.244 5.889 5.374) 9.032 9.946 ( 10.901 -3.596 -3.642) 12.043 10.139 ( -4.336 -7.515 -1.350) 8.781 10.638 ( -0.386 -0.183 4.629) 4.648 10.653 ( 3.688 -2.583 0.785) 4.570 10.886 ( -1.603 -1.242 1.029) 2.274 11.112 ( -3.886 8.755 3.177) 10.092 11.275 ( 0.205 4.209 0.108) 4.215 11.476 ( 3.540 0.653 -8.353) 9.096 11.512 ( 5.194 12.377 -4.439) 14.138 11.735 ( -4.576 7.384 -8.471) 12.133 11.914 ( -0.642 1.256 -4.957) 5.154 11.995 ( -8.660 7.503 5.216) 12.589 12.263 ( -0.309 3.087 -2.705) 4.116 12.352 ( 8.693 2.841 -7.201) 11.640 12.674 ( -1.386 -8.928 -2.870) 9.480 13.008 ( 0.871 -12.809 -3.597) 13.333 13.368 ( 0.151 -5.569 8.443) 10.116 13.593 ( -0.940 -10.380 3.554) 11.012 13.927 ( 3.528 2.600 -0.961) 4.487 14.242 ( 3.109 -7.039 3.994) 8.670 14.629 ( 1.830 -7.675 -3.178) 8.506 14.838 ( -1.708 -14.339 -3.410) 14.838 16.089 ( 1.209 18.228 -1.664) 18.343 16.480 ( -4.654 19.234 3.469) 20.090 16.672 ( 1.250 51.848 -1.950) 51.900 17.736 ( -1.710 2.452 5.571) 6.322 17.887 ( 3.778 0.061 6.119) 7.191 17.996 ( -11.422 7.608 7.655) 15.714 18.081 ( -1.784 3.037 1.728) 3.924 18.468 ( 1.328 17.178 1.302) 17.278 18.611 ( 7.260 1.044 -9.167) 11.740 19.962 ( -0.503 6.366 7.694) 9.999 20.593 ( -0.584 -5.652 -0.899) 5.753 20.715 ( 0.522 -21.276 -0.371) 21.286 23.631 ( 1.321 24.985 3.585) 25.276 24.917 ( -0.053 13.908 -8.836) 16.477 25.331 ( 3.684 -16.420 4.183) 17.340 25.863 ( -1.624 -10.133 -4.188) 11.084 27.934 ( -3.497 1.538 -0.291) 3.831 28.360 ( -1.002 -5.161 -0.404) 5.273 ======================= Grid point 173 (91/128) ======================= q-point: (-0.40 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -14.844 8.150 -17.412) 24.288 1.851 ( -3.241 1.476 -24.662) 24.918 2.001 ( -4.700 7.320 -12.981) 15.627 2.285 ( 6.615 1.097 0.194) 6.709 2.511 ( 5.530 7.542 -1.684) 9.502 2.683 ( -4.271 9.131 -3.997) 10.844 2.692 ( -3.541 2.872 0.293) 4.568 2.965 ( 2.733 6.743 -2.013) 7.549 2.999 ( 9.480 8.017 1.708) 12.532 3.177 ( 3.444 40.368 -0.139) 40.515 3.334 ( -4.030 1.754 9.388) 10.366 3.724 ( 1.051 7.515 -3.194) 8.233 3.897 ( 0.384 15.870 -3.595) 16.277 4.017 ( 0.177 6.169 3.810) 7.253 4.096 ( -4.624 11.760 -6.047) 14.008 4.333 ( -8.700 3.942 8.467) 12.764 4.516 ( -3.189 5.977 1.355) 6.909 4.829 ( 7.647 1.543 0.195) 7.803 5.236 ( -5.064 -3.078 -5.897) 8.360 5.522 ( -2.049 -6.482 6.299) 9.268 5.741 ( 2.492 -2.185 0.562) 3.361 5.793 ( -2.951 -3.377 5.010) 6.724 6.193 ( -0.839 -7.285 -0.991) 7.400 6.220 ( 7.914 6.232 1.101) 10.133 6.339 ( 0.423 -6.674 -1.005) 6.762 6.389 ( 2.667 -5.122 6.916) 9.010 7.109 ( -9.948 14.188 -2.918) 17.572 7.356 ( 1.827 8.704 2.277) 9.180 7.703 ( -5.417 -0.072 5.459) 7.691 7.848 ( -3.317 -2.525 1.636) 4.478 7.966 ( 4.534 4.914 2.595) 7.172 8.255 ( -1.078 7.931 2.216) 8.305 8.647 ( -5.694 -5.603 -0.153) 7.990 8.874 ( -0.977 -8.185 -0.791) 8.281 8.990 ( 0.232 8.210 -3.767) 9.036 9.090 ( 0.884 -5.672 -4.539) 7.319 9.226 ( -0.719 13.315 4.387) 14.038 9.352 ( 4.448 15.524 4.684) 16.814 9.999 ( -3.752 -10.433 -8.095) 13.728 10.223 ( 11.224 -0.656 0.813) 11.272 10.643 ( 0.764 3.110 4.688) 5.677 10.695 ( -0.395 -6.048 -1.279) 6.194 10.870 ( -0.162 0.016 0.209) 0.265 11.035 ( -3.375 1.391 1.953) 4.140 11.290 ( 1.303 13.228 -0.935) 13.325 11.478 ( -3.536 -1.413 -9.192) 9.949 11.587 ( 0.000 8.111 -6.183) 10.199 11.713 ( 4.539 8.039 0.633) 9.254 11.803 ( -8.365 5.139 3.505) 10.424 11.920 ( 0.981 2.545 -4.611) 5.357 12.246 ( -0.784 -2.261 -2.540) 3.489 12.488 ( 5.727 5.552 -8.155) 11.407 12.704 ( 4.125 -9.005 -0.454) 9.916 13.090 ( 7.747 -10.751 -3.187) 13.630 13.371 ( -0.670 -5.117 6.505) 8.303 13.576 ( -1.044 -11.160 3.573) 11.765 13.965 ( 0.372 3.510 -1.429) 3.808 14.292 ( 1.550 -6.499 2.527) 7.143 14.657 ( 0.921 -9.740 -3.049) 10.247 14.771 ( -4.446 -12.494 -3.374) 13.684 15.974 ( -10.533 16.198 -1.410) 19.373 16.425 ( -3.196 35.877 2.971) 36.141 16.706 ( 2.834 27.619 -1.030) 27.783 17.649 ( -10.970 4.258 13.206) 17.688 17.778 ( -8.752 6.367 0.280) 10.827 17.858 ( 0.168 10.002 2.532) 10.319 18.203 ( 6.826 10.974 1.283) 12.987 18.541 ( 6.994 7.783 2.545) 10.769 18.727 ( 5.178 -2.138 -7.328) 9.224 20.035 ( 7.112 5.028 8.093) 11.889 20.587 ( -0.041 -7.022 0.005) 7.022 20.746 ( 2.574 -18.422 -0.807) 18.618 23.670 ( 3.237 26.744 4.440) 27.302 24.869 ( -5.098 14.434 -11.657) 19.241 25.388 ( 2.115 -16.177 1.962) 16.432 25.798 ( -4.712 -10.189 -3.818) 11.857 27.920 ( 1.916 1.934 2.850) 3.941 28.363 ( 1.139 -5.455 0.523) 5.597 ======================= Grid point 174 (92/128) ======================= q-point: (-0.30 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -17.867 13.289 -12.048) 25.317 1.784 ( -1.651 -1.873 -20.671) 20.822 1.963 ( 3.602 10.083 -18.436) 21.320 2.313 ( -6.060 14.521 3.754) 16.177 2.552 ( -7.122 -3.589 8.746) 11.837 2.620 ( 3.674 15.209 0.608) 15.658 2.716 ( 5.989 -7.040 -6.422) 11.255 3.039 ( 2.320 11.837 -5.758) 13.366 3.069 ( -1.468 7.692 3.804) 8.706 3.210 ( 0.318 29.111 2.911) 29.258 3.341 ( 4.423 8.469 3.553) 10.193 3.705 ( -4.387 6.560 1.307) 7.999 3.822 ( -5.006 2.438 -17.320) 18.193 4.043 ( 2.980 12.102 7.569) 14.582 4.052 ( 1.862 23.730 -0.933) 23.821 4.325 ( 5.519 5.465 6.920) 10.402 4.450 ( -3.632 5.217 0.406) 6.369 4.940 ( 2.368 1.308 0.216) 2.714 5.084 ( -6.951 -0.048 -6.432) 9.470 5.486 ( -3.471 -8.269 4.952) 10.244 5.710 ( -3.595 -3.512 0.109) 5.027 5.849 ( 5.974 -4.621 1.959) 7.802 6.139 ( -4.268 -9.560 -0.927) 10.510 6.267 ( -3.475 -2.165 -1.455) 4.345 6.414 ( 6.878 -4.819 0.137) 8.399 6.470 ( 4.220 1.223 8.043) 9.165 6.897 ( -10.971 19.041 -2.382) 22.104 7.346 ( -2.541 4.149 2.890) 5.659 7.578 ( -7.665 0.807 4.367) 8.859 7.807 ( -1.619 -5.281 -0.319) 5.532 8.082 ( 6.409 2.378 5.432) 8.731 8.249 ( 0.400 4.872 0.907) 4.972 8.496 ( -8.618 -5.109 1.707) 10.163 8.845 ( -1.674 -8.122 -1.034) 8.357 8.895 ( -6.931 5.677 4.962) 10.241 9.172 ( 6.990 4.768 -7.494) 11.303 9.233 ( 0.246 2.085 4.466) 4.935 9.501 ( 9.005 19.343 0.045) 21.336 9.919 ( -3.326 -8.156 -6.545) 10.974 10.417 ( 7.895 0.789 0.338) 7.942 10.635 ( -4.231 -3.110 0.279) 5.259 10.674 ( 1.811 1.635 2.025) 3.171 10.860 ( -1.980 -1.226 -4.007) 4.635 11.008 ( 0.431 -3.914 1.836) 4.344 11.243 ( -8.985 10.467 -2.623) 14.042 11.395 ( -2.718 -0.181 -6.167) 6.742 11.519 ( -0.655 14.205 1.549) 14.305 11.777 ( 1.629 0.102 -2.318) 2.835 11.823 ( 6.057 5.301 2.228) 8.352 11.931 ( 0.366 1.749 -4.651) 4.983 12.226 ( -1.130 -1.220 -1.674) 2.360 12.587 ( 5.767 6.561 -7.189) 11.313 12.806 ( 6.306 -10.796 1.694) 12.617 13.276 ( 10.579 -10.180 -1.412) 14.749 13.347 ( -1.890 -3.053 1.915) 4.069 13.569 ( 0.244 -11.792 4.804) 12.735 13.936 ( -3.278 3.224 -0.658) 4.645 14.299 ( -1.090 -6.294 2.890) 7.011 14.603 ( -6.749 -8.330 0.431) 10.730 14.721 ( 0.166 -11.590 -6.500) 13.290 15.764 ( -10.380 17.192 -1.201) 20.118 16.343 ( -4.842 32.743 2.385) 33.185 16.791 ( 6.891 14.829 -3.206) 16.664 17.417 ( -12.371 13.310 9.251) 20.391 17.644 ( -5.035 8.536 -1.615) 10.041 17.911 ( 3.049 10.644 4.785) 12.062 18.291 ( 3.609 19.976 -1.302) 20.341 18.721 ( 8.931 -4.182 -0.075) 9.862 18.806 ( 5.088 -2.312 -2.255) 6.027 20.217 ( 9.851 0.349 8.175) 12.806 20.574 ( -1.415 -8.176 -0.138) 8.298 20.820 ( 5.136 -13.598 0.641) 14.550 23.757 ( 3.725 29.637 -1.699) 29.918 24.717 ( -7.240 15.829 -8.065) 19.184 25.404 ( -1.253 -14.411 -5.124) 15.346 25.704 ( -3.512 -11.242 0.740) 11.801 27.990 ( 4.054 1.108 5.997) 7.323 28.395 ( 1.791 -5.643 1.711) 6.163 ======================= Grid point 175 (93/128) ======================= q-point: (-0.20 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -4.955 17.034 2.512) 17.917 1.748 ( 0.159 -6.029 -13.874) 15.128 2.087 ( -2.477 7.319 -6.216) 9.917 2.161 ( 2.049 22.355 -3.308) 22.691 2.394 ( -8.858 -1.893 12.566) 15.490 2.663 ( 1.076 18.567 -0.632) 18.609 2.840 ( 5.059 -4.956 -6.187) 9.405 2.933 ( -6.995 14.631 -1.494) 16.286 3.067 ( -3.443 -2.050 1.479) 4.272 3.229 ( 0.110 31.765 2.177) 31.839 3.350 ( -0.995 -0.606 -5.406) 5.530 3.709 ( 6.603 18.720 3.057) 20.085 3.823 ( 5.492 3.699 -10.782) 12.652 4.083 ( 0.739 5.135 1.877) 5.517 4.130 ( 4.680 28.018 -0.334) 28.408 4.375 ( -3.179 6.913 -0.814) 7.652 4.493 ( 9.804 3.649 0.786) 10.490 4.886 ( -3.465 4.081 -3.573) 6.437 5.049 ( 0.292 -2.458 -3.252) 4.087 5.379 ( -7.982 -6.894 4.772) 11.577 5.638 ( -4.083 -7.783 -3.015) 9.291 5.943 ( 0.623 0.697 0.759) 1.204 6.045 ( -3.449 -12.328 3.148) 13.183 6.141 ( -8.959 -1.981 -6.509) 11.250 6.511 ( -0.106 3.883 4.451) 5.908 6.524 ( 2.197 0.067 5.564) 5.982 6.756 ( -1.389 9.313 0.645) 9.438 7.278 ( -4.935 1.819 2.301) 5.740 7.442 ( -6.020 -0.748 0.340) 6.076 7.767 ( -2.210 -6.035 0.513) 6.448 8.163 ( 0.862 -3.466 3.546) 5.033 8.251 ( -3.947 -3.542 4.672) 7.067 8.407 ( 3.810 5.412 0.795) 6.666 8.749 ( -5.859 -0.716 -1.305) 6.045 8.906 ( 5.985 0.999 8.366) 10.335 9.218 ( -1.978 -4.021 2.515) 5.139 9.313 ( 7.792 5.968 -3.715) 10.495 9.647 ( 5.697 9.275 -3.262) 11.363 9.859 ( -3.416 0.295 -3.796) 5.115 10.491 ( -0.444 0.739 6.724) 6.779 10.604 ( 1.620 -4.405 -2.453) 5.295 10.696 ( -1.043 4.275 0.896) 4.491 10.752 ( -8.310 -5.083 -8.130) 12.688 11.022 ( -0.593 -0.336 6.764) 6.798 11.077 ( -2.704 6.351 -3.813) 7.885 11.367 ( 0.135 -0.219 -3.098) 3.108 11.582 ( 4.678 11.845 0.732) 12.756 11.745 ( -4.284 4.796 -7.567) 9.930 11.920 ( 0.064 -4.184 -1.215) 4.357 11.971 ( 7.265 6.702 0.720) 9.910 12.203 ( -0.702 2.153 -1.290) 2.607 12.676 ( 2.532 1.999 -2.771) 4.253 12.951 ( 8.503 -10.220 1.463) 13.376 13.280 ( -3.052 -3.021 -1.244) 4.470 13.460 ( 4.195 -3.091 1.304) 5.371 13.612 ( 4.789 -11.992 5.906) 14.199 13.859 ( -3.330 -1.125 -0.419) 3.540 14.254 ( -4.121 -7.105 5.631) 9.959 14.458 ( -7.359 -3.720 0.894) 8.294 14.717 ( -0.523 -11.672 -6.395) 13.319 15.583 ( -8.318 19.222 -1.348) 20.988 16.275 ( -1.807 20.728 1.169) 20.840 16.988 ( 13.695 9.489 -5.812) 17.645 17.223 ( -7.723 20.505 2.292) 22.031 17.579 ( -1.598 6.612 -3.835) 7.809 17.953 ( 1.052 15.620 8.769) 17.944 18.377 ( 5.804 18.499 -4.463) 19.895 18.777 ( -0.399 -4.417 -2.035) 4.880 18.996 ( 12.086 -3.652 1.255) 12.688 20.356 ( 2.208 -8.724 5.350) 10.469 20.548 ( -1.268 -2.747 0.918) 3.162 20.928 ( 5.466 -12.057 2.719) 13.514 23.612 ( -21.147 38.355 -33.818) 55.335 24.805 ( 20.027 12.127 21.161) 31.559 25.314 ( -5.839 -13.812 -12.615) 19.596 25.709 ( 3.411 -9.900 7.123) 12.664 28.048 ( 0.485 0.279 6.392) 6.417 28.425 ( 1.039 -5.988 2.506) 6.574 ======================= Grid point 176 (94/128) ======================= q-point: (-0.10 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 11.083 14.203 12.712) 22.049 1.777 ( 2.549 -6.104 -9.558) 11.624 1.861 ( -12.659 10.913 14.736) 22.282 2.186 ( -5.936 -0.351 19.067) 19.973 2.354 ( 2.090 21.259 -8.039) 22.824 2.735 ( 8.282 14.255 -9.056) 18.810 2.801 ( -5.074 15.393 -1.711) 16.298 2.861 ( -1.148 4.151 -0.362) 4.322 3.070 ( 3.540 -2.296 -8.671) 9.643 3.211 ( -1.313 32.862 1.081) 32.906 3.356 ( 1.948 -1.745 -9.797) 10.140 3.877 ( 8.416 17.456 -0.885) 19.399 3.906 ( 1.790 6.693 -2.280) 7.294 4.122 ( 3.599 16.127 -5.449) 17.399 4.200 ( 3.474 14.522 -3.183) 15.267 4.338 ( -0.146 4.128 1.246) 4.314 4.678 ( 8.534 4.254 -0.616) 9.556 4.870 ( 1.739 3.621 -5.720) 6.989 5.026 ( -2.220 -2.380 -1.497) 3.582 5.198 ( -11.131 -4.412 3.437) 12.457 5.550 ( -4.274 -10.712 -2.596) 11.822 5.816 ( -9.271 -1.046 -0.083) 9.330 5.902 ( -11.546 8.376 -7.949) 16.329 6.105 ( 3.529 -11.202 4.162) 12.460 6.458 ( -2.848 5.328 8.680) 10.575 6.575 ( 1.409 -1.742 5.311) 5.764 6.804 ( 4.279 -0.205 1.864) 4.671 7.147 ( -8.852 -0.514 1.759) 9.040 7.370 ( -1.304 -2.039 -3.233) 4.038 7.741 ( -0.645 -6.138 1.367) 6.322 8.149 ( -4.034 -4.049 4.460) 7.250 8.173 ( 0.645 -9.272 -2.062) 9.521 8.547 ( 5.238 6.013 2.522) 8.364 8.674 ( 0.252 1.272 -0.828) 1.539 9.049 ( 3.465 6.339 6.286) 9.576 9.233 ( 7.894 -7.534 6.193) 12.547 9.454 ( 6.503 2.587 -0.833) 7.048 9.694 ( -1.282 -5.513 -0.633) 5.695 9.749 ( -7.103 8.199 -3.673) 11.453 10.410 ( -9.633 -6.038 4.211) 12.124 10.570 ( -4.069 0.859 -2.427) 4.814 10.629 ( 0.931 -4.019 -3.810) 5.615 10.744 ( 4.800 2.148 4.641) 7.013 11.027 ( -0.990 7.875 -5.940) 9.913 11.111 ( 5.871 0.150 5.704) 8.187 11.393 ( 2.509 -0.276 -1.983) 3.210 11.589 ( -8.046 2.456 -9.517) 12.702 11.669 ( 0.954 9.016 -1.708) 9.226 11.938 ( 2.566 3.444 0.542) 4.329 12.088 ( 4.188 8.079 0.771) 9.133 12.221 ( 3.152 0.638 -1.879) 3.725 12.632 ( -7.093 -2.536 -1.909) 7.771 13.108 ( 6.698 -6.139 1.570) 9.221 13.254 ( 0.609 -6.657 -1.184) 6.788 13.405 ( -8.233 8.594 6.630) 13.623 13.707 ( 2.402 -12.401 6.684) 14.291 13.884 ( 6.119 -7.840 -2.754) 10.320 14.144 ( -7.703 -9.368 7.566) 14.294 14.359 ( -2.614 0.537 2.581) 3.712 14.683 ( -2.665 -10.205 -4.882) 11.622 15.452 ( -4.988 21.192 -0.954) 21.792 16.277 ( 1.678 10.693 -1.654) 10.949 17.116 ( -1.598 24.784 -1.588) 24.887 17.250 ( 9.077 6.981 -6.367) 13.102 17.566 ( -0.435 -1.826 -3.359) 3.848 18.023 ( 7.411 19.198 6.100) 21.464 18.494 ( 6.395 13.003 -6.520) 15.890 18.744 ( -2.822 -4.413 1.172) 5.368 19.242 ( 14.015 1.519 0.670) 14.113 20.292 ( -10.756 -6.265 2.023) 12.610 20.478 ( -5.576 -2.583 1.190) 6.259 21.021 ( 3.739 -13.243 3.638) 14.233 23.009 ( -32.599 55.528 -41.321) 76.508 25.080 ( -4.943 -17.079 -10.462) 20.629 25.555 ( 38.152 -2.332 23.022) 44.621 25.816 ( 7.095 -5.210 7.513) 11.573 27.999 ( -5.793 1.570 3.345) 6.871 28.440 ( 0.420 -6.725 2.714) 7.264 ======================= Grid point 177 (95/128) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -0.954 11.549 0.911) 11.624 1.689 ( 0.038 -7.952 -5.729) 9.801 1.925 ( 4.817 7.864 21.978) 23.834 2.064 ( 3.957 -6.386 20.743) 22.061 2.670 ( -1.254 7.950 -7.312) 10.874 2.779 ( -2.618 -3.076 -4.869) 6.326 2.924 ( 0.505 4.592 -13.579) 14.343 2.996 ( 1.944 -2.430 -8.581) 9.128 3.253 ( 7.018 10.438 -1.712) 12.693 3.377 ( 5.954 -3.013 -8.842) 11.077 3.886 ( -1.947 28.510 -2.909) 28.724 3.994 ( 2.406 7.800 -7.857) 11.330 4.105 ( 1.770 -3.663 -2.539) 4.796 4.290 ( -0.114 -10.640 0.012) 10.641 4.498 ( 0.690 20.930 -5.188) 21.574 4.809 ( -2.975 11.157 0.949) 11.586 4.835 ( -5.825 6.048 -0.328) 8.403 4.885 ( 2.732 -8.258 -1.021) 8.758 4.970 ( -1.929 15.021 0.072) 15.144 5.031 ( 2.347 3.228 -0.777) 4.066 5.203 ( 2.076 -11.242 -3.194) 11.870 5.539 ( -0.604 -19.002 1.365) 19.060 5.878 ( -4.027 4.465 -1.278) 6.147 5.963 ( 0.242 -7.401 1.947) 7.657 6.570 ( -3.313 7.427 7.528) 11.082 6.600 ( -1.264 2.303 6.403) 6.921 6.832 ( 0.682 1.729 1.879) 2.644 6.965 ( -3.567 -5.545 1.487) 6.758 7.394 ( 0.796 4.839 -2.437) 5.476 7.545 ( -0.705 -10.050 0.691) 10.098 8.026 ( 2.291 -5.089 -1.658) 5.822 8.028 ( 1.661 -4.013 0.234) 4.349 8.674 ( 0.022 5.987 0.372) 5.998 8.747 ( -0.130 -0.643 2.615) 2.696 9.248 ( 2.938 1.816 2.027) 4.005 9.325 ( 4.810 -5.997 3.515) 8.453 9.370 ( -5.328 4.510 8.333) 10.871 9.545 ( 9.469 -9.720 12.529) 18.469 9.853 ( -5.362 11.308 -8.343) 15.041 10.049 ( -6.991 -9.824 -7.240) 14.065 10.526 ( -0.347 3.239 -0.983) 3.402 10.638 ( 3.335 -6.970 1.484) 7.868 10.867 ( 0.322 8.516 3.141) 9.083 11.065 ( 0.965 -9.591 1.827) 9.811 11.221 ( 0.120 8.882 -5.875) 10.650 11.379 ( -3.716 -5.676 -8.217) 10.656 11.567 ( -0.320 8.216 -3.427) 8.908 11.702 ( -1.099 -3.958 -3.079) 5.134 12.106 ( 6.535 5.003 6.202) 10.305 12.221 ( 6.509 -5.138 2.404) 8.634 12.444 ( 0.739 14.645 -1.517) 14.742 12.544 ( -5.878 6.196 -3.081) 9.079 12.980 ( -1.838 -8.451 1.007) 8.707 13.030 ( -3.867 -11.530 -1.842) 12.299 13.479 ( -8.875 12.311 10.719) 18.580 13.660 ( 0.033 -3.798 4.965) 6.251 13.797 ( -2.740 -3.813 1.669) 4.984 13.872 ( 4.691 -8.284 2.114) 9.752 14.393 ( 0.306 2.938 1.495) 3.311 14.478 ( -1.813 -5.801 0.037) 6.078 15.807 ( -0.346 20.372 -0.911) 20.395 16.163 ( 0.757 -16.029 -1.603) 16.127 17.392 ( 3.765 5.557 -6.556) 9.383 17.485 ( 3.603 -3.993 -5.850) 7.947 17.849 ( -1.882 33.845 -1.935) 33.953 18.331 ( 0.893 -13.291 0.011) 13.321 18.510 ( -2.413 7.673 0.617) 8.067 18.661 ( -1.754 -4.066 1.941) 4.835 19.762 ( 5.469 16.722 0.745) 17.609 20.021 ( -0.971 -6.735 0.201) 6.807 20.414 ( -2.562 9.589 4.031) 10.713 20.735 ( -0.326 -19.456 4.498) 19.972 23.608 ( -12.002 50.013 -22.584) 56.173 24.419 ( -8.084 -34.588 -15.544) 38.773 25.900 ( 7.607 1.982 5.559) 9.628 26.003 ( 13.555 -9.491 8.986) 18.830 28.050 ( -0.279 10.278 1.542) 10.397 28.267 ( 0.335 -11.272 2.094) 11.469 ======================= Grid point 178 (96/128) ======================= q-point: ( 0.10 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -2.528 13.721 -0.071) 13.952 1.652 ( -1.219 -9.376 -5.623) 11.000 2.152 ( 13.129 6.333 12.595) 19.264 2.237 ( 9.307 -2.928 8.725) 13.089 2.600 ( -5.798 5.529 -5.051) 9.471 2.701 ( -4.844 -3.183 -2.563) 6.338 2.922 ( 1.109 5.161 -6.794) 8.603 3.017 ( 0.607 -3.559 -4.661) 5.896 3.336 ( 1.741 9.236 -5.873) 11.083 3.443 ( 1.710 -2.370 -12.854) 13.182 3.839 ( -2.002 25.386 -2.748) 25.613 4.032 ( 1.156 3.554 -14.456) 14.931 4.096 ( -1.772 7.739 -4.079) 8.926 4.306 ( 2.124 -9.884 1.797) 10.269 4.469 ( -1.711 12.228 -5.488) 13.512 4.652 ( -10.227 -1.445 2.743) 10.687 4.715 ( -6.267 11.214 3.200) 13.239 4.879 ( -2.183 -6.923 1.501) 7.412 4.964 ( 1.522 24.942 1.629) 25.042 5.178 ( 9.611 -0.768 -2.584) 9.982 5.340 ( 10.328 -7.115 -4.792) 13.426 5.601 ( 6.105 -19.066 1.081) 20.048 5.840 ( 0.103 5.852 2.325) 6.298 5.949 ( -1.914 -8.224 1.864) 8.647 6.511 ( -3.747 7.774 9.180) 12.599 6.568 ( -2.143 1.143 6.959) 7.371 6.852 ( 1.553 3.510 1.193) 4.019 6.989 ( 4.900 -7.099 3.477) 9.300 7.443 ( 4.677 3.233 -2.297) 6.133 7.551 ( 1.680 -7.503 1.034) 7.758 8.087 ( 4.667 -2.220 -1.359) 5.343 8.105 ( 5.415 -5.786 -1.577) 8.080 8.693 ( 0.896 6.446 0.116) 6.509 8.742 ( 0.112 1.647 2.581) 3.064 9.106 ( -12.512 -2.620 5.341) 13.854 9.150 ( -8.229 -8.060 3.545) 12.051 9.560 ( 7.925 9.898 7.525) 14.745 9.671 ( -3.970 3.103 -3.288) 6.017 9.910 ( 10.231 -3.764 3.129) 11.342 9.970 ( 1.679 -8.548 -6.111) 10.641 10.513 ( -0.734 4.936 -2.004) 5.378 10.661 ( -1.723 -9.116 -3.750) 10.007 10.871 ( 1.675 9.765 4.175) 10.751 11.088 ( 1.045 -11.560 4.044) 12.291 11.229 ( 0.901 6.630 -5.008) 8.358 11.335 ( 0.736 -2.907 -5.375) 6.155 11.548 ( -0.733 8.565 -3.396) 9.243 11.699 ( 0.997 -5.502 -2.650) 6.187 12.191 ( 0.760 8.406 0.757) 8.474 12.314 ( 0.190 -0.588 -1.664) 1.775 12.436 ( -2.217 14.531 -4.453) 15.359 12.504 ( 5.717 6.323 3.503) 9.216 12.914 ( -4.133 -11.966 4.823) 13.547 12.931 ( -6.871 -12.934 -2.425) 14.846 13.334 ( -6.248 10.726 9.449) 15.600 13.556 ( -7.646 -11.596 6.857) 15.491 13.814 ( 1.227 4.968 1.841) 5.438 13.950 ( 2.239 -8.508 3.572) 9.496 14.408 ( 0.966 1.008 0.368) 1.444 14.462 ( 0.860 -4.238 -0.454) 4.349 15.831 ( 3.023 20.219 -0.424) 20.448 16.197 ( 2.698 -17.363 -1.094) 17.605 17.420 ( 0.475 11.451 -7.060) 13.460 17.561 ( 5.036 -4.122 -7.651) 10.045 17.853 ( 2.531 32.257 -2.090) 32.423 18.327 ( -1.328 -17.036 -0.336) 17.091 18.442 ( -4.915 11.191 3.609) 12.744 18.602 ( -4.624 -4.364 3.442) 7.230 19.614 ( -13.729 25.328 -1.690) 28.859 20.048 ( -0.114 -16.476 -0.291) 16.479 20.472 ( 5.529 10.262 5.646) 12.952 20.756 ( 1.265 -17.088 4.181) 17.637 23.504 ( 2.770 49.915 -9.638) 50.913 24.337 ( 0.819 -36.254 -7.265) 36.984 25.944 ( -3.291 2.949 -1.770) 4.761 26.058 ( -7.144 -9.215 -3.353) 12.133 28.105 ( 4.912 7.848 2.328) 9.547 28.293 ( 1.919 -10.450 1.954) 10.803 ======================= Grid point 179 (97/128) ======================= q-point: ( 0.20 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 6.697 13.158 -9.237) 17.416 1.666 ( 3.336 -8.009 -11.307) 14.252 2.264 ( -5.437 7.361 -8.889) 12.758 2.366 ( 2.695 -2.614 -0.801) 3.839 2.559 ( 4.608 5.289 8.478) 11.003 2.649 ( 2.827 -2.567 3.655) 5.286 2.916 ( -3.323 2.083 -1.493) 4.196 2.980 ( -4.432 -3.429 -0.635) 5.639 3.343 ( 0.447 7.455 -9.588) 12.153 3.449 ( 0.024 -3.681 -10.867) 11.474 3.802 ( -1.999 19.179 -3.231) 19.552 3.983 ( -3.887 2.749 -11.051) 12.033 4.043 ( -2.811 19.158 -5.828) 20.221 4.364 ( 1.885 -10.104 0.066) 10.278 4.456 ( 0.157 4.400 -4.231) 6.106 4.506 ( -2.436 -0.042 1.475) 2.848 4.621 ( -4.214 15.210 4.995) 16.555 4.850 ( -0.215 -8.080 2.696) 8.521 4.999 ( 1.341 23.946 2.422) 24.106 5.342 ( 6.826 -7.665 -1.976) 10.452 5.537 ( 10.116 -2.519 -3.964) 11.153 5.721 ( 4.885 -18.898 0.283) 19.521 5.878 ( 3.332 1.831 4.024) 5.536 5.909 ( -1.469 -1.730 2.495) 3.373 6.432 ( -5.335 8.780 8.958) 13.630 6.531 ( -2.728 -1.572 6.695) 7.398 6.913 ( 4.914 8.412 1.114) 9.806 7.114 ( 7.086 -10.214 4.274) 13.146 7.564 ( 7.349 1.039 -1.546) 7.582 7.619 ( 5.548 -3.726 1.742) 6.907 8.190 ( 5.733 -0.145 -1.547) 5.940 8.220 ( 6.341 -4.293 -0.005) 7.658 8.651 ( -4.638 8.810 0.020) 9.956 8.791 ( 3.669 0.074 -0.016) 3.670 8.897 ( -8.705 -0.936 6.740) 11.049 9.052 ( -2.402 -10.998 2.445) 11.520 9.541 ( -6.976 7.207 -4.677) 11.067 9.598 ( -3.011 2.725 1.650) 4.383 9.973 ( 1.196 3.657 -1.663) 4.191 10.116 ( 4.599 -9.402 6.909) 12.541 10.503 ( -0.011 3.545 -3.410) 4.919 10.609 ( -1.419 -5.852 -5.600) 8.223 10.933 ( 2.617 4.943 2.801) 6.255 11.093 ( -0.654 -9.277 1.572) 9.432 11.273 ( 5.021 7.677 -3.095) 9.681 11.380 ( 3.354 -1.106 -1.411) 3.803 11.572 ( 3.697 7.393 -2.141) 8.539 11.733 ( 2.641 -7.623 -3.095) 8.641 12.133 ( -4.896 14.225 -2.337) 15.225 12.292 ( -1.780 0.969 -3.638) 4.165 12.372 ( -3.584 18.412 -3.845) 19.147 12.628 ( 2.169 5.556 2.753) 6.569 12.771 ( -7.475 -17.316 -5.589) 19.671 12.859 ( -2.554 -14.634 7.902) 16.826 13.274 ( -0.653 6.447 6.072) 8.880 13.442 ( -3.997 -10.464 4.495) 12.069 13.817 ( -0.564 5.698 4.603) 7.347 13.964 ( -0.658 -9.122 6.088) 10.987 14.443 ( 2.918 1.127 -0.942) 3.267 14.507 ( 3.362 -5.105 -2.158) 6.482 15.923 ( 6.598 18.461 -0.028) 19.604 16.265 ( 4.611 -16.796 -0.100) 17.418 17.444 ( 3.387 21.045 -8.019) 22.774 17.648 ( 4.068 -0.316 -2.881) 4.995 17.943 ( 7.057 20.511 -5.261) 22.321 18.262 ( -6.591 -3.592 2.065) 7.785 18.358 ( -2.829 2.025 4.258) 5.498 18.493 ( -6.949 -5.492 5.670) 10.517 19.379 ( -9.891 33.055 -1.863) 34.554 20.010 ( -2.621 -27.911 -1.176) 28.058 20.529 ( -0.998 9.665 5.412) 11.122 20.751 ( -2.635 -12.787 2.777) 13.348 23.668 ( 13.109 43.849 1.212) 45.782 24.429 ( 8.333 -33.999 0.511) 35.009 25.752 ( -15.653 4.692 -10.380) 19.360 25.867 ( -8.910 -6.441 -7.180) 13.131 28.185 ( 2.143 4.427 1.864) 5.260 28.324 ( 0.692 -8.691 1.329) 8.819 ======================= Grid point 180 (98/128) ======================= q-point: ( 0.30 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 11.164 7.586 -18.723) 23.081 1.737 ( 4.696 -2.534 -17.603) 18.394 2.155 ( -1.405 9.595 -8.009) 12.577 2.316 ( -3.161 -6.972 -2.817) 8.157 2.704 ( 2.897 5.873 7.358) 9.850 2.752 ( -0.334 1.082 -1.628) 1.983 2.833 ( 4.305 0.937 0.955) 4.508 2.864 ( -5.822 -4.183 0.666) 7.199 3.301 ( -6.034 5.545 -4.189) 9.203 3.373 ( -8.259 -1.827 -4.489) 9.576 3.781 ( 1.493 11.891 -5.537) 13.202 3.915 ( -1.758 4.050 -9.110) 10.124 4.021 ( 0.881 19.088 -2.609) 19.285 4.341 ( -1.896 -4.658 3.589) 6.178 4.493 ( 1.606 0.665 -7.595) 7.791 4.520 ( -0.929 6.298 -1.251) 6.488 4.567 ( 2.061 14.273 4.518) 15.112 4.877 ( 2.211 -13.111 2.941) 13.618 5.001 ( -1.719 21.050 4.060) 21.507 5.413 ( 0.533 -15.723 0.398) 15.737 5.702 ( 6.623 0.620 -0.083) 6.652 5.773 ( 1.609 -7.253 -0.655) 7.458 5.925 ( 3.325 0.753 2.170) 4.041 5.968 ( 5.029 -4.311 1.334) 6.757 6.331 ( -5.448 9.574 7.277) 13.202 6.467 ( -4.504 -4.579 5.643) 8.550 7.035 ( 7.253 10.047 2.003) 12.552 7.250 ( 6.368 -10.583 4.013) 12.987 7.682 ( 4.898 1.554 0.822) 5.204 7.763 ( 7.877 -4.130 2.298) 9.186 8.276 ( 2.209 5.794 -0.465) 6.218 8.339 ( 5.791 -0.414 2.207) 6.211 8.563 ( -2.873 6.319 -2.415) 7.350 8.750 ( -5.237 -11.099 3.038) 12.643 8.886 ( 3.262 5.899 -0.515) 6.761 9.036 ( 0.036 -6.665 -0.841) 6.718 9.447 ( -1.668 4.618 -1.566) 5.154 9.525 ( -3.248 -1.203 1.271) 3.689 9.938 ( -4.337 11.056 1.366) 11.955 10.143 ( -1.547 -9.042 5.580) 10.737 10.509 ( 1.089 2.687 -3.168) 4.294 10.603 ( 0.215 -5.937 -3.181) 6.739 10.949 ( -0.369 3.762 2.118) 4.333 11.085 ( 0.241 -8.577 -0.387) 8.589 11.405 ( 7.074 9.244 -0.224) 11.642 11.445 ( 3.635 6.320 -5.636) 9.216 11.654 ( 3.782 3.339 0.914) 5.127 11.783 ( 2.439 -10.182 -5.102) 11.647 12.040 ( -4.551 16.149 0.605) 16.790 12.244 ( -1.547 5.318 -9.459) 10.961 12.323 ( -0.937 9.289 -1.064) 9.396 12.517 ( -8.721 3.537 -5.249) 10.776 12.699 ( -3.351 -10.448 -3.491) 11.514 12.802 ( -4.213 -15.518 7.095) 17.575 13.294 ( 1.217 3.189 5.065) 6.108 13.411 ( -0.269 -8.853 3.521) 9.531 13.831 ( 2.189 5.012 4.349) 6.988 13.967 ( 1.193 -8.766 5.920) 10.645 14.501 ( 2.704 0.702 -1.533) 3.186 14.573 ( 3.443 -6.281 -2.473) 7.577 16.080 ( 9.487 16.412 -0.292) 18.959 16.377 ( 6.844 -14.226 -0.207) 15.788 17.532 ( 5.677 26.320 -5.433) 27.468 17.710 ( 2.707 5.171 3.257) 6.684 18.094 ( -0.641 8.839 2.436) 9.191 18.109 ( 0.677 2.678 -6.578) 7.135 18.322 ( -2.534 -3.329 2.012) 4.642 18.356 ( -7.090 -4.540 7.622) 11.357 19.229 ( -5.866 37.519 -0.785) 37.983 19.960 ( -2.624 -32.399 -0.715) 32.513 20.464 ( -5.007 8.499 3.920) 10.615 20.660 ( -6.424 -10.886 0.984) 12.679 23.941 ( 13.406 37.428 6.751) 40.325 24.617 ( 9.850 -30.908 5.248) 32.861 25.449 ( -12.691 13.658 -12.447) 22.417 25.712 ( -6.207 -12.520 -7.982) 16.093 28.176 ( -2.864 4.530 0.395) 5.374 28.312 ( -2.055 -8.275 0.211) 8.529 ======================= Grid point 181 (99/128) ======================= q-point: ( 0.40 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 5.195 4.769 -17.886) 19.226 1.836 ( 6.609 -1.333 -20.994) 22.049 2.199 ( 3.176 6.657 -5.964) 9.485 2.313 ( 1.138 -5.101 -4.348) 6.798 2.565 ( -5.094 7.607 -3.241) 9.712 2.708 ( -2.983 -5.706 -3.125) 7.157 2.901 ( 5.310 7.957 2.024) 9.778 3.001 ( 6.221 0.049 2.296) 6.631 3.121 ( -10.206 1.316 1.303) 10.373 3.153 ( -11.352 -1.603 -3.625) 12.024 3.842 ( 3.711 8.484 -0.533) 9.275 3.892 ( -0.431 7.834 -2.694) 8.296 4.041 ( 0.740 13.802 -2.976) 14.139 4.331 ( 0.359 -3.782 2.256) 4.419 4.392 ( -7.190 14.846 -2.193) 16.640 4.545 ( -0.214 -1.727 -2.332) 2.910 4.676 ( 7.450 10.849 -1.092) 13.206 4.917 ( -1.535 1.347 4.856) 5.268 4.951 ( 0.000 4.620 0.390) 4.636 5.389 ( -2.024 -20.272 2.073) 20.478 5.774 ( 0.371 1.237 4.863) 5.031 5.800 ( 1.019 -0.769 1.590) 2.039 6.017 ( 5.150 -0.177 0.624) 5.191 6.058 ( 3.945 -2.517 -0.015) 4.680 6.263 ( -1.261 6.187 3.639) 7.288 6.375 ( -5.109 -5.022 3.905) 8.159 7.176 ( 6.757 8.564 1.967) 11.085 7.357 ( 4.325 -8.567 2.745) 9.981 7.752 ( 1.997 3.755 2.873) 5.132 7.877 ( 3.044 -6.487 5.249) 8.882 8.249 ( -4.150 14.245 1.663) 14.930 8.428 ( 2.259 0.372 3.934) 4.551 8.573 ( 3.613 2.219 -5.277) 6.769 8.681 ( -1.791 -10.982 -0.760) 11.153 8.910 ( 0.093 3.607 -3.906) 5.318 9.035 ( -0.793 -6.067 -4.715) 7.724 9.461 ( 2.630 4.327 2.357) 5.585 9.535 ( 4.226 0.421 3.663) 5.608 9.849 ( -3.876 11.748 1.435) 12.454 10.079 ( -5.107 -9.873 3.023) 11.520 10.539 ( 1.987 0.720 -1.126) 2.395 10.599 ( -0.263 -4.869 -0.658) 4.920 10.950 ( 0.552 6.076 2.812) 6.717 11.113 ( 2.687 -9.316 0.225) 9.699 11.474 ( 0.130 14.472 0.321) 14.476 11.515 ( 3.331 7.195 -8.702) 11.772 11.696 ( 0.273 3.750 -2.561) 4.549 11.808 ( 1.477 -9.339 -5.740) 11.061 11.972 ( -2.117 12.533 0.118) 12.711 12.189 ( -5.053 -4.445 -0.992) 6.803 12.361 ( 4.449 12.922 -5.519) 14.738 12.400 ( -1.509 3.794 -7.899) 8.892 12.575 ( -8.908 -6.269 -0.848) 10.925 12.743 ( -1.152 -15.826 0.341) 15.871 13.308 ( -0.237 1.632 7.027) 7.217 13.411 ( -0.472 -8.498 4.218) 9.499 13.906 ( 4.848 4.496 1.250) 6.728 14.025 ( 4.025 -7.626 3.340) 9.247 14.536 ( 1.085 0.541 -1.891) 2.247 14.620 ( 1.330 -7.905 -2.333) 8.349 16.265 ( 8.864 14.082 -0.736) 16.656 16.493 ( 4.121 -9.149 -0.614) 10.053 17.618 ( 2.807 25.100 2.946) 25.428 17.776 ( 3.320 1.560 5.503) 6.614 17.930 ( -7.575 13.226 2.386) 15.428 18.182 ( -6.944 -7.593 0.021) 10.289 18.251 ( -0.936 4.381 4.822) 6.582 18.327 ( 5.568 -4.112 -6.024) 9.176 19.148 ( -2.604 40.379 0.804) 40.471 19.908 ( -2.525 -29.975 0.151) 30.081 20.387 ( -2.548 2.804 2.511) 4.545 20.536 ( -5.742 -9.234 -0.116) 10.874 24.145 ( 6.747 34.417 6.484) 35.666 24.778 ( 6.039 -29.159 5.912) 30.359 25.286 ( -3.434 18.215 -9.252) 20.717 25.629 ( -1.872 -16.249 -6.755) 17.696 28.098 ( -4.643 6.304 -0.734) 7.864 28.257 ( -3.161 -9.026 -0.615) 9.584 ======================= Grid point 182 (100/128) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 2.885 3.885 -15.514) 16.251 1.905 ( 1.670 -1.158 -20.353) 20.455 2.203 ( -0.625 0.949 -6.319) 6.420 2.209 ( -6.793 0.717 -7.330) 10.020 2.610 ( 1.552 7.137 -4.718) 8.694 2.745 ( 3.416 -6.327 -2.705) 7.682 2.857 ( -6.315 6.935 -0.175) 9.381 2.955 ( -3.492 -3.215 1.293) 4.919 2.999 ( 3.510 11.062 -2.087) 11.792 3.192 ( 5.762 -8.471 2.839) 10.631 3.871 ( -0.443 16.505 1.279) 16.560 3.902 ( 0.746 3.142 2.844) 4.303 4.046 ( 0.138 12.807 -3.366) 13.243 4.247 ( -7.219 14.831 -0.533) 16.503 4.349 ( 1.195 -5.059 0.326) 5.209 4.467 ( -7.473 -7.267 0.561) 10.439 4.796 ( 1.558 12.408 0.061) 12.506 4.863 ( 1.215 24.192 2.329) 24.335 5.021 ( 5.047 -12.259 -3.248) 13.649 5.375 ( 0.857 -20.766 1.707) 20.854 5.732 ( -4.808 2.752 7.337) 9.193 5.793 ( -2.511 -2.633 5.350) 6.470 6.079 ( 1.115 -0.913 0.142) 1.448 6.124 ( 2.587 -2.743 -0.664) 3.829 6.293 ( 2.120 0.409 2.167) 3.059 6.307 ( 0.233 -0.264 1.566) 1.605 7.279 ( 3.451 6.969 0.408) 7.787 7.420 ( 2.302 -5.342 0.952) 5.894 7.757 ( -1.821 4.027 5.008) 6.680 7.888 ( -2.198 -6.432 8.078) 10.557 8.173 ( -2.887 17.296 1.980) 17.647 8.421 ( -2.566 -1.909 4.430) 5.464 8.635 ( 1.182 0.445 -5.420) 5.565 8.658 ( -0.966 -7.789 -3.439) 8.569 8.927 ( 2.035 -1.576 -4.007) 4.763 8.996 ( -1.453 -6.063 -5.627) 8.398 9.543 ( 2.292 11.172 3.776) 12.014 9.602 ( 3.043 10.752 3.367) 11.670 9.850 ( 3.186 -2.103 -1.019) 3.951 9.989 ( -1.677 -9.646 2.806) 10.185 10.571 ( 0.983 -1.442 -0.284) 1.768 10.601 ( 0.678 -3.983 -0.316) 4.052 10.975 ( 1.656 9.267 3.351) 9.993 11.176 ( 3.021 -9.477 2.382) 10.228 11.404 ( -6.012 14.657 -2.353) 16.016 11.548 ( -0.908 2.661 -8.274) 8.738 11.684 ( 1.044 5.311 -8.588) 10.152 11.851 ( 2.492 -7.060 -3.185) 8.136 11.944 ( -0.852 14.380 -1.958) 14.538 12.109 ( -2.554 1.651 1.498) 3.390 12.288 ( -7.792 0.753 0.484) 7.843 12.412 ( -5.544 -13.449 -1.597) 14.634 12.528 ( 9.043 11.425 -7.586) 16.427 12.778 ( 4.728 -12.211 -4.612) 13.883 13.305 ( -0.569 0.616 7.862) 7.906 13.399 ( -1.097 -8.307 4.664) 9.590 13.998 ( 4.285 4.505 -1.572) 6.413 14.107 ( 3.961 -6.711 0.864) 7.840 14.544 ( 0.053 -0.414 -2.139) 2.179 14.619 ( -1.085 -7.970 -1.965) 8.280 16.362 ( -0.262 11.322 -0.804) 11.354 16.518 ( -0.821 -4.354 -0.167) 4.434 17.606 ( -6.531 25.157 8.513) 27.350 17.758 ( -3.359 -0.212 9.858) 10.417 17.909 ( 2.195 4.401 0.061) 4.918 18.046 ( -3.941 -5.743 1.029) 7.041 18.220 ( -0.381 14.804 1.260) 14.863 18.465 ( 7.080 -8.816 -7.049) 13.324 19.125 ( -0.183 41.754 1.421) 41.778 19.878 ( -0.351 -26.282 0.603) 26.291 20.375 ( 0.870 -3.307 1.692) 3.816 20.467 ( -1.014 -7.280 -0.085) 7.351 24.229 ( 2.640 34.917 4.422) 35.295 24.867 ( 3.425 -28.747 4.420) 29.286 25.259 ( -0.434 17.834 -6.725) 19.065 25.604 ( -1.232 -16.528 -5.619) 17.500 28.024 ( -2.372 7.868 -0.312) 8.224 28.208 ( -1.506 -9.950 -0.385) 10.071 ======================= Grid point 183 (101/128) ======================= q-point: (-0.40 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -9.906 5.785 -18.053) 21.389 1.843 ( -5.601 -2.232 -21.253) 22.092 2.148 ( -0.156 7.045 -7.930) 10.609 2.252 ( 5.899 -3.645 -4.523) 8.279 2.576 ( -1.572 2.281 -2.613) 3.808 2.634 ( -4.986 -3.528 -0.264) 6.114 2.857 ( -3.358 6.599 2.495) 7.813 2.967 ( 1.177 -4.269 3.268) 5.504 3.164 ( 12.404 8.945 -2.401) 15.480 3.293 ( 5.298 -4.708 1.938) 7.348 3.830 ( -3.727 11.269 -1.418) 11.954 3.908 ( -1.534 3.797 -1.939) 4.531 4.001 ( -4.286 19.313 -8.831) 21.665 4.154 ( -2.486 8.218 6.916) 11.025 4.319 ( -4.189 -3.177 9.163) 10.564 4.388 ( 1.877 -7.841 -2.946) 8.584 4.771 ( -1.282 24.677 -1.415) 24.751 4.923 ( 2.381 7.901 0.910) 8.302 5.123 ( 5.083 -3.932 -4.603) 7.905 5.405 ( 0.502 -13.570 1.961) 13.720 5.633 ( -4.559 -2.654 7.696) 9.331 5.709 ( -6.544 -5.818 6.698) 11.025 6.077 ( -1.150 -1.541 -2.576) 3.215 6.136 ( -0.446 -7.259 -2.182) 7.594 6.342 ( 4.526 4.179 1.852) 6.432 6.386 ( 4.722 -0.533 4.370) 6.456 7.293 ( -1.993 9.168 -2.458) 9.699 7.447 ( 0.231 -3.580 -0.458) 3.616 7.699 ( -4.400 2.304 5.713) 7.570 7.811 ( -6.290 -4.846 9.186) 12.142 8.157 ( 0.528 15.966 2.555) 16.178 8.361 ( -3.637 0.277 4.069) 5.465 8.575 ( -6.254 -1.928 -3.281) 7.321 8.637 ( -0.455 -11.285 -2.061) 11.481 8.958 ( 0.806 -2.165 -2.397) 3.329 8.999 ( 1.740 -4.923 -3.003) 6.023 9.492 ( -4.212 14.739 0.141) 15.330 9.700 ( 1.343 -0.491 0.359) 1.474 9.873 ( 5.023 8.572 -0.853) 9.972 10.126 ( 11.775 -10.405 2.383) 15.893 10.571 ( -0.957 -1.614 -1.293) 2.279 10.613 ( 0.158 -4.984 -1.099) 5.107 11.015 ( 2.036 11.025 2.452) 11.477 11.156 ( -6.751 4.409 -0.589) 8.085 11.341 ( 0.896 -2.842 -1.561) 3.364 11.448 ( -7.020 -4.698 -5.955) 10.335 11.730 ( 2.605 8.978 -6.309) 11.278 11.853 ( -1.350 1.477 -1.688) 2.618 11.966 ( 0.383 9.647 0.543) 9.669 12.038 ( -3.690 14.858 -0.505) 15.317 12.166 ( -2.714 -7.049 0.858) 7.602 12.396 ( 3.794 -18.662 -2.854) 19.256 12.683 ( 7.324 10.743 -5.670) 14.184 12.900 ( 8.090 -10.250 -5.238) 14.069 13.302 ( -0.324 -0.437 7.022) 7.043 13.377 ( -1.545 -7.775 4.260) 8.999 14.053 ( 1.415 5.219 -2.353) 5.897 14.166 ( 1.947 -6.400 -0.451) 6.705 14.536 ( -0.688 -2.096 -2.194) 3.111 14.582 ( -2.350 -6.505 -1.706) 7.124 16.258 ( -8.713 13.291 -0.582) 15.903 16.471 ( -4.431 -8.120 0.019) 9.250 17.425 ( -10.850 22.738 8.125) 26.472 17.651 ( -9.560 -4.444 11.978) 15.957 17.928 ( 2.403 8.921 -0.293) 9.243 18.100 ( 5.667 -4.097 0.373) 7.003 18.262 ( 4.706 17.076 -0.243) 17.714 18.567 ( 4.092 -10.461 -4.995) 12.293 19.136 ( 1.149 41.825 0.893) 41.850 19.895 ( 1.704 -28.201 0.550) 28.258 20.415 ( 3.216 -1.587 1.688) 3.964 20.503 ( 4.370 -7.361 0.997) 8.618 24.294 ( 4.512 35.778 3.889) 36.270 24.937 ( 3.851 -28.170 2.687) 28.558 25.206 ( -5.048 17.191 -8.384) 19.782 25.542 ( -4.918 -16.127 -6.205) 17.966 28.017 ( 1.503 8.116 1.816) 8.452 28.205 ( 1.114 -10.182 0.973) 10.289 ======================= Grid point 184 (102/128) ======================= q-point: (-0.30 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -12.430 11.362 -13.669) 21.690 1.698 ( -7.026 -6.931 -16.860) 19.536 2.170 ( 3.839 10.748 -11.939) 16.516 2.356 ( 3.865 -7.660 -4.417) 9.650 2.546 ( -4.364 3.363 5.164) 7.551 2.613 ( 2.593 -3.935 -0.947) 4.807 2.806 ( 0.388 8.147 1.819) 8.357 2.960 ( -0.985 -7.608 3.184) 8.306 3.294 ( -2.099 9.140 0.676) 9.402 3.382 ( 1.174 -0.432 4.555) 4.723 3.778 ( 1.105 4.597 -6.606) 8.124 3.820 ( -2.599 -0.750 -13.457) 13.726 3.939 ( -1.316 26.843 -1.855) 26.939 4.158 ( 1.822 4.271 8.438) 9.632 4.348 ( 5.482 0.473 6.206) 8.294 4.422 ( 1.371 -6.714 -1.842) 7.096 4.765 ( 0.850 28.063 -1.810) 28.135 4.960 ( 1.732 0.757 -1.746) 2.573 5.155 ( -2.297 8.163 -3.876) 9.324 5.355 ( -4.763 -4.078 4.458) 7.694 5.567 ( -7.957 -9.241 4.832) 13.117 5.630 ( 2.249 -17.856 4.240) 18.489 6.038 ( -2.470 0.337 -2.502) 3.532 6.113 ( -1.928 -7.040 -2.474) 7.707 6.441 ( 5.058 3.203 3.672) 7.023 6.484 ( 4.956 -0.879 4.834) 6.979 7.202 ( -7.056 14.291 -4.632) 16.598 7.416 ( -3.706 -3.223 -1.388) 5.104 7.602 ( -6.332 0.937 4.992) 8.117 7.689 ( -6.107 -4.117 6.457) 9.795 8.147 ( -2.830 6.345 4.013) 8.023 8.287 ( -5.947 -4.060 4.703) 8.600 8.473 ( -0.793 5.477 -0.797) 5.591 8.653 ( 2.201 -10.688 0.827) 10.944 8.938 ( -2.135 2.269 0.482) 3.153 9.041 ( 2.162 -8.366 -0.505) 8.655 9.430 ( -1.746 12.777 -0.794) 12.921 9.652 ( -3.651 -9.409 -3.253) 10.604 10.054 ( 10.331 20.003 -0.436) 22.518 10.352 ( 10.546 -9.824 -0.564) 14.424 10.524 ( -3.586 -0.476 -2.009) 4.138 10.608 ( -0.428 -7.325 -3.582) 8.165 10.987 ( -9.525 6.924 0.006) 11.775 11.035 ( -1.254 4.910 0.458) 5.088 11.277 ( -5.326 -0.521 -4.128) 6.758 11.402 ( 0.828 -6.394 2.001) 6.751 11.739 ( -0.788 6.245 -3.731) 7.317 11.831 ( -0.350 14.513 1.666) 14.613 11.884 ( -4.713 -3.227 -4.086) 7.023 12.065 ( 2.069 0.585 6.138) 6.504 12.183 ( 4.329 7.472 -4.359) 9.673 12.517 ( 7.832 -18.065 -1.169) 19.725 12.795 ( 5.002 13.516 -5.432) 15.402 13.063 ( 8.434 -12.825 -4.769) 16.074 13.309 ( 0.936 -0.488 3.970) 4.108 13.361 ( 0.356 -6.902 4.490) 8.242 14.038 ( -3.030 6.559 -0.434) 7.238 14.172 ( -1.571 -6.976 0.766) 7.192 14.501 ( -3.051 -1.694 -1.246) 3.706 14.545 ( -0.892 -6.067 -3.623) 7.122 16.083 ( -8.662 15.840 -0.583) 18.063 16.360 ( -6.471 -12.091 0.087) 13.714 17.261 ( -5.753 18.055 5.384) 19.700 17.474 ( -8.417 -5.440 8.455) 13.112 17.982 ( 1.947 18.531 -0.851) 18.652 18.189 ( 3.776 7.327 0.817) 8.283 18.386 ( 7.184 2.406 -0.167) 7.578 18.620 ( 2.047 -10.677 -2.888) 11.248 19.176 ( 3.335 39.517 0.417) 39.659 19.929 ( 1.584 -32.098 0.178) 32.138 20.500 ( 5.031 2.880 2.733) 6.409 20.612 ( 6.140 -7.962 2.666) 10.402 24.403 ( 5.159 34.965 -2.771) 35.452 25.011 ( 2.372 -26.333 -4.024) 26.745 25.065 ( -6.777 19.148 -5.533) 21.052 25.426 ( -4.919 -17.261 -1.951) 18.054 28.069 ( 2.946 7.117 3.918) 8.642 28.241 ( 2.000 -9.623 2.451) 10.130 ======================= Grid point 185 (103/128) ======================= q-point: (-0.20 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -3.830 14.893 -3.383) 15.745 1.587 ( -2.138 -10.633 -8.956) 14.066 2.208 ( -3.900 5.822 0.207) 7.011 2.305 ( -9.241 -3.841 10.530) 14.527 2.524 ( 6.332 12.312 -8.676) 16.338 2.711 ( 7.716 -7.464 -9.046) 14.039 2.853 ( 1.982 5.066 2.181) 5.861 2.953 ( -0.705 -5.807 3.503) 6.819 3.167 ( -6.759 9.882 -3.650) 12.516 3.304 ( -5.037 -4.484 -3.998) 7.839 3.848 ( 4.259 9.685 0.830) 10.612 3.882 ( 7.111 2.460 -4.758) 8.903 3.938 ( 1.520 20.957 -4.080) 21.405 4.217 ( 3.737 1.933 3.719) 5.616 4.430 ( 0.084 1.911 -3.875) 4.321 4.506 ( 9.855 -1.221 0.708) 9.956 4.791 ( 1.650 25.124 -2.033) 25.260 4.982 ( 0.356 -0.039 -3.730) 3.747 5.065 ( -5.055 13.498 -1.559) 14.498 5.253 ( -6.565 -5.063 3.858) 9.144 5.419 ( -7.685 -9.670 1.161) 12.407 5.665 ( -0.235 -25.118 2.986) 25.296 5.982 ( -2.833 2.989 -0.482) 4.146 6.060 ( -3.398 -4.670 -2.012) 6.116 6.531 ( 3.739 2.477 5.035) 6.743 6.574 ( 3.670 -1.018 4.659) 6.018 7.028 ( -9.946 17.287 -4.143) 20.370 7.295 ( -8.746 -6.107 -1.747) 10.809 7.481 ( -5.506 4.776 2.573) 7.729 7.606 ( -3.199 -7.576 2.936) 8.732 8.076 ( -4.051 -1.858 2.922) 5.330 8.144 ( -7.498 -6.524 4.188) 10.785 8.555 ( 7.165 9.290 2.853) 12.074 8.711 ( 2.460 -5.183 1.633) 5.965 8.920 ( 2.114 3.631 4.252) 5.978 9.062 ( -0.067 -9.830 1.959) 10.024 9.431 ( 1.585 7.889 -0.579) 8.067 9.593 ( -1.995 -8.455 -1.747) 8.861 10.164 ( -1.203 19.796 -4.981) 20.449 10.444 ( -3.732 -6.964 3.153) 8.507 10.505 ( 3.886 -2.543 -2.514) 5.280 10.560 ( -4.280 -8.872 -10.140) 14.137 10.842 ( -4.010 6.913 3.993) 8.934 10.981 ( -1.369 -5.736 4.325) 7.313 11.244 ( 0.736 10.852 -2.686) 11.204 11.403 ( -0.166 -0.652 -2.214) 2.314 11.708 ( -2.843 -0.735 -4.524) 5.393 11.791 ( -3.905 -6.186 -3.598) 8.153 11.865 ( 3.463 13.375 3.676) 14.297 12.100 ( 1.293 -8.261 4.995) 9.739 12.291 ( 6.365 17.907 -2.089) 19.119 12.645 ( 4.000 -15.271 1.328) 15.842 12.877 ( 4.455 11.545 -5.940) 13.727 13.143 ( -0.303 -12.788 -3.308) 13.213 13.392 ( 7.292 -1.160 0.719) 7.418 13.431 ( 7.147 -5.222 3.936) 9.688 13.937 ( -7.343 7.418 2.786) 10.803 14.100 ( -6.237 -8.747 4.202) 11.536 14.439 ( -2.767 1.930 -1.325) 3.624 14.530 ( -0.602 -7.395 -3.955) 8.408 15.940 ( -6.204 17.646 -0.658) 18.716 16.246 ( -5.025 -13.155 0.281) 14.085 17.233 ( 2.225 10.708 0.611) 10.954 17.375 ( -1.841 -3.662 2.588) 4.847 17.977 ( -2.114 26.310 -2.670) 26.529 18.255 ( 2.747 6.570 2.796) 7.650 18.497 ( 3.998 -1.111 -2.255) 4.722 18.652 ( 1.476 -9.100 -0.093) 9.219 19.286 ( 8.711 33.541 0.583) 34.658 19.961 ( 2.129 -30.846 0.156) 30.920 20.578 ( 1.589 4.824 3.799) 6.343 20.715 ( 3.697 -9.273 4.070) 10.781 24.337 ( -13.051 35.109 -27.384) 46.399 24.902 ( -10.216 -20.575 -16.887) 28.511 25.142 ( 14.630 13.263 13.524) 23.934 25.458 ( 8.320 -15.868 11.262) 21.162 28.111 ( 0.554 6.375 4.163) 7.634 28.271 ( 0.698 -9.238 2.971) 9.729 ======================= Grid point 186 (104/128) ======================= q-point: (-0.10 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 7.658 13.467 3.383) 15.857 1.619 ( 5.274 -10.206 -4.897) 12.488 2.017 ( -12.510 6.587 17.597) 22.573 2.125 ( -9.612 -4.545 18.351) 21.208 2.667 ( 4.413 10.563 -12.878) 17.230 2.809 ( 0.996 -4.166 -8.084) 9.149 2.880 ( 3.369 4.201 -6.796) 8.671 2.953 ( 2.493 -3.848 -6.480) 7.938 3.133 ( 3.452 10.811 -1.649) 11.468 3.282 ( 3.090 -4.939 -6.600) 8.803 3.896 ( 0.829 27.089 2.786) 27.244 3.965 ( 1.870 6.741 -6.556) 9.587 4.025 ( 6.206 -2.202 0.597) 6.612 4.285 ( 1.824 -7.483 -0.346) 7.710 4.447 ( 3.150 19.248 -6.207) 20.468 4.706 ( 10.378 -1.744 -2.063) 10.724 4.820 ( 1.657 18.121 -2.334) 18.345 4.956 ( -3.471 -4.517 -3.221) 6.544 4.984 ( -2.663 17.401 -0.349) 17.607 5.122 ( -6.847 -2.275 2.600) 7.670 5.273 ( -7.113 -10.401 -0.731) 12.622 5.608 ( -5.108 -23.655 1.731) 24.262 5.953 ( -0.231 -0.475 1.723) 1.803 5.976 ( -5.008 -0.743 -2.438) 5.619 6.588 ( 1.563 2.299 5.669) 6.314 6.614 ( -0.427 2.771 5.539) 6.208 6.864 ( -5.445 11.661 -0.697) 12.889 7.105 ( -9.829 -7.628 -0.496) 12.452 7.410 ( -2.179 5.727 -0.902) 6.194 7.565 ( -1.463 -9.835 1.135) 10.008 8.017 ( -1.665 -4.328 0.532) 4.668 8.043 ( -3.168 -5.211 2.385) 6.548 8.678 ( 2.182 6.374 1.970) 7.020 8.724 ( 1.266 1.929 1.597) 2.806 9.076 ( 9.974 -1.663 6.829) 12.202 9.100 ( 8.582 -5.185 5.424) 11.399 9.456 ( -0.343 2.060 1.995) 2.888 9.550 ( -3.525 -6.944 2.692) 8.240 10.021 ( -10.149 14.018 -7.348) 18.802 10.250 ( -13.008 -10.007 -3.340) 16.748 10.530 ( 0.049 -1.133 -2.138) 2.420 10.568 ( 3.422 -3.910 0.808) 5.258 10.835 ( 1.732 8.476 4.227) 9.629 11.022 ( 3.427 -8.971 2.310) 9.878 11.240 ( -0.991 12.371 -6.365) 13.947 11.416 ( 1.068 -2.256 -3.101) 3.980 11.613 ( -4.969 3.268 -6.786) 9.023 11.737 ( -1.998 -5.331 -3.006) 6.438 11.968 ( 6.543 7.030 5.806) 11.222 12.134 ( 2.421 -7.191 4.494) 8.819 12.397 ( 4.309 17.430 -0.999) 17.983 12.645 ( -3.484 -3.200 -0.994) 4.834 12.959 ( 3.717 -1.614 -3.009) 5.048 13.100 ( -3.115 -10.758 -2.393) 11.452 13.534 ( 6.239 3.378 2.053) 7.386 13.586 ( 5.038 -1.757 5.276) 7.504 13.802 ( -3.992 2.444 2.020) 5.098 13.953 ( -8.911 -10.158 6.475) 14.984 14.401 ( -1.212 3.934 0.380) 4.134 14.510 ( -1.262 -7.434 -2.090) 7.825 15.845 ( -3.521 19.300 -0.841) 19.636 16.177 ( -2.114 -14.258 -0.616) 14.427 17.308 ( 4.745 6.032 -3.451) 8.415 17.408 ( 4.397 -3.636 -3.180) 6.532 17.912 ( -3.855 30.556 -2.817) 30.927 18.300 ( 1.969 -1.416 1.921) 3.094 18.534 ( 0.201 1.339 -1.986) 2.404 18.671 ( 0.335 -5.359 1.494) 5.574 19.515 ( 14.501 25.251 1.170) 29.142 20.013 ( 2.726 -22.316 0.419) 22.486 20.533 ( -6.561 7.823 3.813) 10.899 20.749 ( -0.419 -13.805 4.521) 14.532 23.959 ( -20.305 42.720 -31.424) 56.787 24.646 ( -13.054 -28.780 -20.573) 37.709 25.574 ( 24.981 4.311 17.804) 30.977 25.693 ( 13.324 -7.099 11.610) 19.045 28.090 ( -2.672 7.773 2.541) 8.603 28.272 ( -0.629 -10.076 2.540) 10.410 ======================= Grid point 217 (105/128) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -0.000 0.000 0.000) 0.000 1.183 ( 0.000 0.000 0.000) 0.000 1.281 ( 0.000 0.000 0.000) 0.000 1.732 ( 0.000 0.000 0.000) 0.000 2.156 ( -0.000 0.000 0.000) 0.000 2.308 ( -0.000 0.000 0.000) 0.000 2.536 ( -0.000 0.000 0.000) 0.000 2.718 ( -0.000 0.000 0.000) 0.000 2.727 ( -0.000 0.000 0.000) 0.000 2.781 ( -0.000 0.000 -0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.451 ( -0.000 0.000 0.000) 0.000 3.661 ( -0.000 0.000 0.000) 0.000 3.907 ( -0.000 0.000 0.000) 0.000 3.981 ( -0.000 0.000 0.000) 0.000 4.317 ( -0.000 0.000 0.000) 0.000 4.687 ( -0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.960 ( -0.000 0.000 -0.000) 0.000 5.036 ( 0.000 0.000 0.000) 0.000 5.303 ( -0.000 0.000 0.000) 0.000 5.716 ( 0.000 0.000 0.000) 0.000 5.759 ( -0.000 0.000 -0.000) 0.000 6.551 ( -0.000 0.000 0.000) 0.000 6.586 ( 0.000 0.000 0.000) 0.000 6.862 ( -0.000 0.000 0.000) 0.000 6.890 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.661 ( -0.000 0.000 0.000) 0.000 7.838 ( -0.000 0.000 0.000) 0.000 7.883 ( 0.000 0.000 0.000) 0.000 7.955 ( 0.000 0.000 0.000) 0.000 8.622 ( 0.000 0.000 0.000) 0.000 8.662 ( -0.000 0.000 0.000) 0.000 8.847 ( 0.000 0.000 0.000) 0.000 9.170 ( -0.000 0.000 0.000) 0.000 9.484 ( 0.000 0.000 0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 10.187 ( -0.000 0.000 -0.000) 0.000 10.311 ( 0.000 0.000 0.000) 0.000 10.618 ( 0.000 0.000 0.000) 0.000 10.673 ( 0.000 0.000 0.000) 0.000 10.815 ( -0.000 0.000 0.000) 0.000 10.852 ( -0.000 0.000 0.000) 0.000 10.945 ( -0.000 0.000 0.000) 0.000 11.125 ( -0.000 0.000 0.000) 0.000 11.427 ( -0.000 0.000 0.000) 0.000 11.591 ( 0.000 0.000 0.000) 0.000 11.734 ( -0.000 0.000 0.000) 0.000 11.945 ( 0.000 0.000 0.000) 0.000 12.500 ( -0.000 0.000 -0.000) 0.000 12.542 ( 0.000 0.000 0.000) 0.000 13.035 ( -0.000 0.000 0.000) 0.000 13.136 ( 0.000 0.000 0.000) 0.000 13.716 ( -0.000 0.000 0.000) 0.000 14.129 ( 0.000 0.000 0.000) 0.000 14.141 ( -0.000 0.000 0.000) 0.000 14.300 ( -0.000 0.000 0.000) 0.000 14.505 ( -0.000 0.000 0.000) 0.000 14.569 ( -0.000 0.000 0.000) 0.000 14.874 ( -0.000 0.000 0.000) 0.000 15.795 ( -0.000 0.000 0.000) 0.000 16.411 ( -0.000 0.000 0.000) 0.000 17.391 ( -0.000 0.000 0.000) 0.000 17.726 ( 0.000 0.000 0.000) 0.000 17.975 ( -0.000 0.000 0.000) 0.000 18.150 ( -0.000 0.000 0.000) 0.000 18.805 ( 0.000 0.000 0.000) 0.000 19.343 ( 0.000 0.000 -0.000) 0.000 19.448 ( -0.000 0.000 0.000) 0.000 20.546 ( 0.000 0.000 0.000) 0.000 20.788 ( 0.000 0.000 0.000) 0.000 21.355 ( -0.000 0.000 0.000) 0.000 25.290 ( 0.000 0.000 0.000) 0.000 25.928 ( 0.000 0.000 0.000) 0.000 26.964 ( 0.000 0.000 0.000) 0.000 27.851 ( -0.000 0.000 0.000) 0.000 28.595 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 219 (106/128) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -0.249 0.000 -0.125) 0.279 1.095 ( -16.608 0.000 5.854) 17.610 1.216 ( 3.815 0.000 -2.373) 4.493 1.761 ( 2.096 0.000 -2.130) 2.988 2.100 ( -18.844 0.000 -2.486) 19.007 2.161 ( 0.560 0.000 1.687) 1.777 2.630 ( 7.785 0.000 -9.489) 12.274 2.776 ( 2.432 0.000 20.675) 20.817 2.820 ( 7.045 0.000 -28.193) 29.060 2.855 ( 14.058 0.000 4.180) 14.666 3.349 ( 0.795 0.000 -5.666) 5.721 3.449 ( -0.006 0.000 -0.942) 0.942 3.648 ( 3.080 0.000 5.035) 5.903 3.864 ( -3.775 0.000 -1.975) 4.260 3.905 ( -9.797 0.000 2.410) 10.089 4.388 ( 6.694 0.000 6.219) 9.137 4.443 ( -16.258 0.000 -4.777) 16.945 4.608 ( -6.040 0.000 -1.680) 6.269 5.042 ( 0.089 0.000 3.225) 3.226 5.172 ( 12.874 0.000 8.983) 15.698 5.413 ( 10.457 0.000 -5.306) 11.726 5.745 ( 1.933 0.000 -3.547) 4.039 5.877 ( 10.174 0.000 3.667) 10.815 6.489 ( -5.385 0.000 -1.467) 5.581 6.555 ( -3.198 0.000 1.419) 3.499 6.804 ( -3.207 0.000 -1.788) 3.672 6.935 ( 1.029 0.000 0.757) 1.278 7.226 ( 5.468 0.000 6.496) 8.491 7.690 ( -11.829 0.000 3.906) 12.457 7.716 ( 6.487 0.000 -10.835) 12.628 7.927 ( 1.831 0.000 1.988) 2.703 7.929 ( -2.673 0.000 4.876) 5.560 8.531 ( -5.997 0.000 -2.654) 6.558 8.637 ( -6.194 0.000 -0.596) 6.222 8.855 ( 5.559 0.000 -0.395) 5.573 9.247 ( 2.017 0.000 -0.532) 2.086 9.447 ( -4.326 0.000 1.879) 4.716 9.788 ( -5.598 0.000 -0.093) 5.599 10.009 ( -7.579 0.000 -12.828) 14.900 10.442 ( -0.950 0.000 5.410) 5.493 10.607 ( 3.951 0.000 3.603) 5.347 10.623 ( 0.832 0.000 -16.957) 16.977 10.776 ( -3.473 0.000 1.954) 3.985 10.913 ( 1.080 0.000 2.442) 2.670 11.014 ( 10.498 0.000 8.357) 13.418 11.261 ( 8.278 0.000 3.094) 8.837 11.416 ( -1.426 0.000 5.505) 5.687 11.504 ( -7.521 0.000 0.498) 7.537 11.760 ( 0.013 0.000 -3.396) 3.396 11.846 ( -4.355 0.000 -2.381) 4.964 12.347 ( -5.164 0.000 -1.395) 5.349 12.823 ( -13.914 0.000 6.392) 15.312 12.890 ( 20.300 0.000 3.121) 20.539 13.315 ( 10.317 0.000 -2.312) 10.573 13.589 ( -10.664 0.000 -2.439) 10.940 14.021 ( -8.424 0.000 2.183) 8.702 14.153 ( -0.315 0.000 -1.997) 2.022 14.476 ( 12.682 0.000 -3.738) 13.222 14.510 ( 0.875 0.000 8.447) 8.492 14.611 ( 4.473 0.000 -6.834) 8.168 14.890 ( 2.902 0.000 1.115) 3.109 15.589 ( -21.112 0.000 13.102) 24.847 16.465 ( 5.100 0.000 -4.849) 7.037 17.308 ( -33.534 0.000 14.253) 36.437 17.420 ( 3.396 0.000 -4.825) 5.900 17.731 ( 0.491 0.000 -0.203) 0.532 18.105 ( -4.512 0.000 -0.641) 4.557 18.783 ( -2.355 0.000 4.440) 5.026 19.311 ( -6.787 0.000 1.944) 7.060 20.287 ( 36.292 0.000 5.154) 36.656 20.585 ( 3.698 0.000 0.182) 3.702 21.005 ( 38.451 0.000 5.342) 38.820 21.318 ( -3.657 0.000 -0.892) 3.765 25.316 ( 2.617 0.000 3.605) 4.455 25.929 ( 0.243 0.000 -1.399) 1.419 26.267 ( -52.545 0.000 -23.335) 57.494 28.156 ( 16.274 0.000 -5.769) 17.266 28.584 ( -1.113 0.000 -0.887) 1.423 ======================= Grid point 220 (107/128) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -7.150 0.000 4.637) 8.522 0.853 ( -0.708 0.000 0.629) 0.947 1.328 ( 7.537 0.000 -1.451) 7.676 1.716 ( -17.638 0.000 -7.854) 19.308 1.768 ( -1.160 0.000 -5.047) 5.179 2.193 ( 2.620 0.000 2.184) 3.411 2.764 ( 6.595 0.000 -0.474) 6.612 2.825 ( 1.327 0.000 12.169) 12.242 3.004 ( 11.875 0.000 -18.765) 22.207 3.108 ( -3.263 0.000 -3.024) 4.449 3.290 ( 9.523 0.000 1.175) 9.595 3.452 ( -2.329 0.000 -4.147) 4.756 3.583 ( -17.737 0.000 3.885) 18.157 3.675 ( -5.725 0.000 4.982) 7.589 3.905 ( 8.258 0.000 -6.780) 10.685 4.237 ( -5.720 0.000 -3.821) 6.879 4.521 ( -0.979 0.000 -5.956) 6.036 4.575 ( 11.917 0.000 9.087) 14.986 5.026 ( -2.683 0.000 5.377) 6.010 5.421 ( 12.316 0.000 2.132) 12.499 5.636 ( 12.222 0.000 -1.387) 12.300 5.763 ( -0.106 0.000 -1.866) 1.869 6.043 ( 4.571 0.000 4.619) 6.498 6.392 ( -3.188 0.000 -0.773) 3.280 6.472 ( -5.322 0.000 2.994) 6.106 6.730 ( -5.460 0.000 -3.552) 6.514 6.884 ( -6.629 0.000 0.542) 6.651 7.328 ( 3.704 0.000 5.099) 6.302 7.492 ( -6.178 0.000 8.061) 10.156 7.824 ( -1.971 0.000 0.702) 2.092 7.949 ( 11.780 0.000 -5.016) 12.804 7.956 ( 1.091 0.000 0.527) 1.212 8.391 ( -7.810 0.000 -4.369) 8.949 8.543 ( -2.562 0.000 -1.392) 2.915 9.004 ( 7.615 0.000 -1.663) 7.795 9.159 ( -7.443 0.000 -4.571) 8.734 9.320 ( -8.182 0.000 2.043) 8.434 9.705 ( -3.097 0.000 0.931) 3.233 9.962 ( 1.257 0.000 -3.460) 3.682 10.367 ( -1.863 0.000 4.537) 4.905 10.614 ( -0.155 0.000 -19.651) 19.652 10.648 ( -5.634 0.000 4.545) 7.239 10.856 ( 12.667 0.000 -0.468) 12.676 10.926 ( 1.291 0.000 1.763) 2.185 11.257 ( 10.691 0.000 8.386) 13.587 11.325 ( -3.486 0.000 -0.735) 3.563 11.366 ( -4.493 0.000 1.945) 4.895 11.386 ( -1.430 0.000 8.788) 8.903 11.661 ( -5.780 0.000 -5.552) 8.014 11.911 ( 6.815 0.000 3.553) 7.685 12.262 ( -3.938 0.000 -1.880) 4.363 12.556 ( -14.096 0.000 5.697) 15.204 13.210 ( 9.796 0.000 -1.587) 9.924 13.368 ( -9.418 0.000 -0.146) 9.419 13.486 ( 7.555 0.000 1.124) 7.639 13.829 ( -11.393 0.000 1.131) 11.449 14.117 ( -3.045 0.000 -0.547) 3.093 14.563 ( 3.623 0.000 5.889) 6.914 14.601 ( 0.328 0.000 -3.464) 3.480 14.740 ( 10.258 0.000 -4.883) 11.361 15.047 ( 10.530 0.000 2.042) 10.726 15.182 ( -16.347 0.000 17.988) 24.306 16.554 ( 3.398 0.000 -4.816) 5.894 17.035 ( 1.106 0.000 5.397) 5.509 17.524 ( 8.313 0.000 -10.463) 13.363 17.744 ( 0.766 0.000 -0.338) 0.837 17.986 ( -7.310 0.000 -1.707) 7.507 18.726 ( -4.209 0.000 8.463) 9.452 19.129 ( -12.098 0.000 2.777) 12.413 20.421 ( -6.374 0.000 4.829) 7.997 20.668 ( 4.237 0.000 0.173) 4.241 21.227 ( -5.182 0.000 -1.248) 5.330 22.123 ( 56.738 0.000 18.424) 59.654 25.265 ( -44.922 0.000 -31.292) 54.746 25.394 ( 4.978 0.000 6.003) 7.799 25.936 ( 0.727 0.000 -2.467) 2.572 28.303 ( 0.312 0.000 -8.900) 8.906 28.549 ( -2.436 0.000 -1.422) 2.821 ======================= Grid point 221 (108/128) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -1.750 0.000 1.758) 2.480 0.942 ( 17.077 0.000 -4.602) 17.686 1.453 ( 3.604 0.000 1.238) 3.811 1.507 ( -1.904 0.000 -5.500) 5.821 1.764 ( 3.346 0.000 -5.411) 6.362 2.247 ( 2.346 0.000 1.339) 2.701 2.803 ( -11.880 0.000 2.428) 12.125 2.827 ( -2.602 0.000 8.427) 8.820 2.913 ( -1.705 0.000 1.812) 2.488 2.946 ( -20.930 0.000 -5.185) 21.563 3.361 ( 9.735 0.000 4.643) 10.786 3.459 ( -1.960 0.000 -3.628) 4.124 3.605 ( 8.878 0.000 -12.404) 15.254 3.703 ( 11.705 0.000 7.385) 13.840 3.955 ( -0.753 0.000 -4.828) 4.886 4.150 ( -4.007 0.000 -4.103) 5.735 4.538 ( 1.934 0.000 -7.537) 7.781 4.876 ( 14.917 0.000 7.622) 16.752 4.942 ( -4.145 0.000 1.929) 4.572 5.624 ( 8.614 0.000 -3.346) 9.241 5.744 ( -1.063 0.000 -1.294) 1.675 5.852 ( 8.792 0.000 2.680) 9.191 6.021 ( -6.269 0.000 7.148) 9.508 6.384 ( -2.772 0.000 3.574) 4.523 6.399 ( 2.623 0.000 -0.217) 2.632 6.529 ( -13.489 0.000 -5.447) 14.547 6.767 ( -4.472 0.000 4.686) 6.477 7.367 ( 0.215 0.000 -1.656) 1.670 7.504 ( 5.334 0.000 5.108) 7.385 7.742 ( -4.892 0.000 9.036) 10.276 7.957 ( -1.378 0.000 -1.248) 1.859 8.235 ( 15.206 0.000 -6.667) 16.603 8.270 ( -3.770 0.000 -3.609) 5.220 8.491 ( -3.719 0.000 0.404) 3.741 9.000 ( -1.635 0.000 -15.918) 16.002 9.185 ( 5.415 0.000 4.558) 7.078 9.187 ( -4.474 0.000 1.220) 4.637 9.645 ( -3.936 0.000 2.152) 4.485 9.979 ( 0.428 0.000 6.332) 6.346 10.378 ( -0.092 0.000 -2.802) 2.803 10.560 ( -1.421 0.000 9.117) 9.228 10.585 ( -1.106 0.000 -17.185) 17.221 10.984 ( 4.673 0.000 4.022) 6.166 11.038 ( 2.049 0.000 2.561) 3.280 11.235 ( -2.632 0.000 -1.798) 3.187 11.295 ( -3.411 0.000 8.467) 9.128 11.311 ( -0.802 0.000 -1.932) 2.091 11.469 ( 4.773 0.000 3.230) 5.763 11.576 ( -1.766 0.000 -6.378) 6.618 12.038 ( 4.768 0.000 5.019) 6.923 12.203 ( -1.119 0.000 -1.554) 1.915 12.309 ( -11.451 0.000 5.028) 12.506 13.080 ( -12.014 0.000 -3.722) 12.577 13.416 ( 2.990 0.000 1.428) 3.314 13.610 ( 5.258 0.000 2.695) 5.908 13.620 ( -8.553 0.000 -0.263) 8.557 14.058 ( -2.625 0.000 0.540) 2.680 14.572 ( -1.739 0.000 0.776) 1.904 14.633 ( 2.992 0.000 1.634) 3.409 14.955 ( -6.661 0.000 16.408) 17.708 15.011 ( 17.892 0.000 -2.209) 18.028 15.258 ( 6.725 0.000 -4.461) 8.070 16.552 ( -3.731 0.000 -1.741) 4.117 17.242 ( 18.014 0.000 -0.572) 18.023 17.698 ( 8.185 0.000 -9.102) 12.241 17.751 ( -1.107 0.000 0.127) 1.114 17.869 ( -0.746 0.000 -8.936) 8.967 18.635 ( -6.293 0.000 11.943) 13.500 18.860 ( -16.196 0.000 4.520) 16.815 20.243 ( -10.949 0.000 2.168) 11.161 20.722 ( 0.975 0.000 -0.268) 1.011 21.143 ( -2.959 0.000 -0.745) 3.052 22.966 ( 28.078 0.000 16.114) 32.373 24.608 ( -19.422 0.000 -22.320) 29.587 25.506 ( 5.636 0.000 6.393) 8.523 25.955 ( 1.487 0.000 -2.898) 3.257 28.205 ( -8.126 0.000 -8.141) 11.503 28.491 ( -3.345 0.000 -1.414) 3.631 ======================= Grid point 222 (109/128) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -2.289 0.000 2.151) 3.142 1.261 ( 12.518 0.000 -7.069) 14.376 1.461 ( -1.259 0.000 1.121) 1.686 1.663 ( 17.686 0.000 -1.100) 17.720 1.886 ( 7.452 0.000 -2.166) 7.760 2.277 ( 0.864 0.000 0.412) 0.957 2.468 ( -19.703 0.000 2.653) 19.881 2.544 ( -16.252 0.000 0.508) 16.260 2.775 ( -3.641 0.000 1.481) 3.931 2.916 ( -1.169 0.000 2.904) 3.131 3.432 ( 1.193 0.000 0.106) 1.198 3.590 ( 11.056 0.000 16.633) 19.972 3.732 ( -6.784 0.000 -2.646) 7.282 3.767 ( 7.336 0.000 -20.880) 22.131 4.065 ( -4.229 0.000 -3.405) 5.429 4.111 ( 14.270 0.000 1.667) 14.367 4.546 ( -0.599 0.000 -5.722) 5.753 4.771 ( -9.565 0.000 7.401) 12.094 5.181 ( 11.002 0.000 -2.407) 11.262 5.737 ( -0.720 0.000 -1.124) 1.335 5.750 ( 4.997 0.000 -2.997) 5.826 5.914 ( -1.915 0.000 7.258) 7.506 5.920 ( -1.477 0.000 3.142) 3.472 6.248 ( -12.247 0.000 -4.348) 12.996 6.414 ( 4.709 0.000 1.943) 5.094 6.485 ( 3.200 0.000 0.455) 3.232 6.705 ( -2.528 0.000 2.861) 3.818 7.340 ( -2.260 0.000 -3.187) 3.907 7.641 ( 7.564 0.000 3.276) 8.243 7.678 ( -2.249 0.000 6.707) 7.074 7.895 ( -4.647 0.000 -2.126) 5.110 8.239 ( 0.208 0.000 -2.008) 2.019 8.411 ( -3.912 0.000 0.174) 3.916 8.443 ( 6.004 0.000 -2.767) 6.611 9.018 ( 3.716 0.000 -11.444) 12.032 9.198 ( 5.915 0.000 -0.559) 5.941 9.246 ( 0.487 0.000 2.461) 2.509 9.540 ( -7.433 0.000 2.448) 7.826 10.000 ( 0.811 0.000 11.092) 11.121 10.313 ( -4.025 0.000 -7.588) 8.589 10.551 ( -1.026 0.000 -9.878) 9.931 10.639 ( 6.761 0.000 8.606) 10.945 10.950 ( -7.893 0.000 1.342) 8.006 11.107 ( 7.078 0.000 6.710) 9.753 11.182 ( -2.473 0.000 -0.999) 2.667 11.241 ( -1.878 0.000 3.407) 3.890 11.332 ( 0.094 0.000 -1.381) 1.385 11.472 ( -4.413 0.000 -2.421) 5.034 11.618 ( 5.760 0.000 -5.518) 7.977 12.072 ( -0.276 0.000 -0.594) 0.654 12.152 ( -5.036 0.000 4.105) 6.497 12.244 ( 4.095 0.000 3.855) 5.624 12.866 ( -9.556 0.000 -2.598) 9.903 13.357 ( -5.636 0.000 -0.066) 5.637 13.569 ( 0.756 0.000 -0.363) 0.839 13.691 ( 2.893 0.000 1.973) 3.502 14.024 ( -1.051 0.000 0.535) 1.179 14.550 ( -0.756 0.000 1.524) 1.701 14.677 ( 1.489 0.000 0.237) 1.507 14.889 ( -1.960 0.000 8.639) 8.859 15.325 ( 1.375 0.000 -3.400) 3.668 15.376 ( 18.455 0.000 -1.602) 18.524 16.415 ( -9.488 0.000 0.372) 9.495 17.653 ( 23.507 0.000 -3.971) 23.840 17.672 ( -4.276 0.000 0.666) 4.328 17.760 ( 0.838 0.000 -0.745) 1.121 18.028 ( 13.078 0.000 -18.578) 22.720 18.502 ( -8.680 0.000 14.440) 16.848 18.518 ( -19.832 0.000 5.625) 20.615 20.054 ( -7.759 0.000 0.263) 7.763 20.710 ( -1.466 0.000 -0.514) 1.553 21.116 ( -0.203 0.000 -0.094) 0.224 23.241 ( 3.241 0.000 3.356) 4.665 24.470 ( 2.362 0.000 -4.847) 5.392 25.602 ( 3.474 0.000 4.193) 5.445 25.986 ( 1.717 0.000 -2.051) 2.674 28.037 ( -7.447 0.000 -5.068) 9.008 28.430 ( -2.620 0.000 -0.875) 2.762 ======================= Grid point 223 (110/128) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -0.000 0.000 0.000) 0.000 1.377 ( -0.000 0.000 0.000) 0.000 1.446 ( -0.000 0.000 0.000) 0.000 1.968 ( -0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 -0.000) 0.000 2.085 ( -0.000 0.000 0.000) 0.000 2.291 ( -0.000 0.000 0.000) 0.000 2.374 ( -0.000 0.000 0.000) 0.000 2.734 ( -0.000 0.000 -0.000) 0.000 2.898 ( -0.000 0.000 0.000) 0.000 3.469 ( -0.000 0.000 0.000) 0.000 3.634 ( -0.000 0.000 0.000) 0.000 3.766 ( -0.000 0.000 -0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 4.017 ( -0.000 0.000 0.000) 0.000 4.298 ( -0.000 0.000 0.000) 0.000 4.521 ( -0.000 0.000 0.000) 0.000 4.650 ( -0.000 0.000 0.000) 0.000 5.284 ( -0.000 0.000 0.000) 0.000 5.706 ( 0.000 0.000 -0.000) 0.000 5.806 ( -0.000 0.000 -0.000) 0.000 5.884 ( -0.000 0.000 0.000) 0.000 5.983 ( 0.000 0.000 0.000) 0.000 6.066 ( -0.000 0.000 0.000) 0.000 6.477 ( -0.000 0.000 0.000) 0.000 6.520 ( -0.000 0.000 0.000) 0.000 6.679 ( -0.000 0.000 0.000) 0.000 7.309 ( -0.000 0.000 -0.000) 0.000 7.662 ( -0.000 0.000 0.000) 0.000 7.763 ( -0.000 0.000 -0.000) 0.000 7.803 ( 0.000 0.000 0.000) 0.000 8.247 ( -0.000 0.000 -0.000) 0.000 8.368 ( -0.000 0.000 0.000) 0.000 8.488 ( -0.000 0.000 0.000) 0.000 9.065 ( -0.000 0.000 -0.000) 0.000 9.239 ( -0.000 0.000 0.000) 0.000 9.368 ( 0.000 0.000 -0.000) 0.000 9.369 ( -0.000 0.000 0.000) 0.000 10.015 ( -0.000 0.000 0.000) 0.000 10.266 ( -0.000 0.000 0.000) 0.000 10.536 ( -0.000 0.000 0.000) 0.000 10.790 ( -0.000 0.000 -0.000) 0.000 10.791 ( 0.000 0.000 0.000) 0.000 11.157 ( -0.000 0.000 0.000) 0.000 11.183 ( 0.000 0.000 0.000) 0.000 11.272 ( -0.000 0.000 -0.000) 0.000 11.324 ( -0.000 0.000 0.000) 0.000 11.368 ( -0.000 0.000 -0.000) 0.000 11.687 ( -0.000 0.000 0.000) 0.000 12.068 ( -0.000 0.000 0.000) 0.000 12.110 ( -0.000 0.000 0.000) 0.000 12.300 ( -0.000 0.000 0.000) 0.000 12.756 ( -0.000 0.000 0.000) 0.000 13.297 ( -0.000 0.000 0.000) 0.000 13.579 ( -0.000 0.000 0.000) 0.000 13.720 ( -0.000 0.000 0.000) 0.000 14.014 ( -0.000 0.000 0.000) 0.000 14.544 ( -0.000 0.000 -0.000) 0.000 14.691 ( -0.000 0.000 0.000) 0.000 14.876 ( -0.000 0.000 0.000) 0.000 15.333 ( -0.000 0.000 0.000) 0.000 15.594 ( -0.000 0.000 0.000) 0.000 16.286 ( -0.000 0.000 0.000) 0.000 17.628 ( -0.000 0.000 0.000) 0.000 17.767 ( -0.000 0.000 -0.000) 0.000 18.055 ( -0.000 0.000 0.000) 0.000 18.156 ( 0.000 0.000 -0.000) 0.000 18.202 ( -0.000 0.000 0.000) 0.000 18.373 ( -0.000 0.000 0.000) 0.000 19.976 ( -0.000 0.000 -0.000) 0.000 20.692 ( -0.000 0.000 0.000) 0.000 21.117 ( -0.000 0.000 0.000) 0.000 23.252 ( -0.000 0.000 0.000) 0.000 24.516 ( -0.000 0.000 0.000) 0.000 25.637 ( -0.000 0.000 0.000) 0.000 26.004 ( -0.000 0.000 -0.000) 0.000 27.956 ( -0.000 0.000 0.000) 0.000 28.402 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 229 (111/128) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.000 4.281 0.000) 4.281 1.577 ( 0.000 28.753 0.000) 28.753 1.589 ( -0.000 31.809 -0.000) 31.809 1.815 ( 0.000 16.649 0.000) 16.649 2.318 ( -0.000 21.928 0.000) 21.928 2.360 ( 0.000 5.566 0.000) 5.566 2.662 ( 0.000 -2.856 0.000) 2.856 2.695 ( -0.000 4.953 -0.000) 4.953 2.855 ( 0.000 4.553 0.000) 4.553 2.875 ( -0.000 23.859 -0.000) 23.859 3.290 ( 0.000 -2.378 0.000) 2.378 3.422 ( 0.000 1.650 0.000) 1.650 3.692 ( -0.000 5.112 0.000) 5.112 3.949 ( -0.000 4.304 0.000) 4.304 4.101 ( -0.000 7.152 0.000) 7.152 4.352 ( -0.000 3.157 0.000) 3.157 4.708 ( 0.000 2.418 0.000) 2.418 4.812 ( 0.000 7.531 0.000) 7.531 4.984 ( 0.000 1.981 0.000) 1.981 5.017 ( -0.000 -1.695 -0.000) 1.695 5.392 ( -0.000 10.210 0.000) 10.210 5.702 ( 0.000 -6.372 0.000) 6.372 5.714 ( -0.000 -0.309 -0.000) 0.309 6.402 ( -0.000 -12.383 0.000) 12.383 6.591 ( -0.000 0.371 0.000) 0.371 6.703 ( -0.000 -9.317 0.000) 9.317 6.918 ( -0.000 3.109 0.000) 3.109 7.078 ( 0.000 -6.853 0.000) 6.853 7.448 ( -0.000 -11.237 0.000) 11.237 7.777 ( 0.000 0.597 0.000) 0.597 8.133 ( 0.000 12.505 0.000) 12.505 8.236 ( -0.000 5.351 -0.000) 5.351 8.554 ( 0.000 -5.371 0.000) 5.371 8.706 ( -0.000 4.818 0.000) 4.818 8.868 ( 0.000 8.754 0.000) 8.754 9.232 ( -0.000 6.963 0.000) 6.963 9.502 ( 0.000 -0.310 0.000) 0.310 9.768 ( -0.000 -8.820 0.000) 8.820 10.127 ( 0.000 -5.704 0.000) 5.704 10.250 ( -0.000 -6.637 -0.000) 6.637 10.564 ( 0.000 -2.783 0.000) 2.783 10.761 ( 0.000 0.061 0.000) 0.061 10.872 ( -0.000 -3.630 0.000) 3.630 10.887 ( 0.000 12.892 0.000) 12.892 10.928 ( -0.000 5.909 -0.000) 5.909 11.256 ( -0.000 8.270 0.000) 8.270 11.406 ( -0.000 -0.505 0.000) 0.505 11.572 ( 0.000 -0.447 0.000) 0.447 11.867 ( -0.000 11.877 0.000) 11.877 11.959 ( -0.000 2.564 -0.000) 2.564 12.428 ( 0.000 -6.854 0.000) 6.854 12.470 ( -0.000 -5.831 0.000) 5.831 13.141 ( -0.000 9.746 0.000) 9.746 13.177 ( 0.000 3.193 0.000) 3.193 13.565 ( -0.000 -13.304 0.000) 13.304 14.041 ( 0.000 -10.192 -0.000) 10.192 14.075 ( 0.000 -5.207 0.000) 5.207 14.267 ( -0.000 -3.715 0.000) 3.715 14.540 ( 0.000 -3.990 0.000) 3.990 14.600 ( -0.000 0.019 -0.000) 0.019 15.019 ( 0.000 15.369 0.000) 15.369 15.827 ( -0.000 18.925 0.000) 18.925 16.664 ( -0.000 16.548 0.000) 16.548 17.335 ( -0.000 -5.837 0.000) 5.837 17.635 ( -0.000 -5.954 0.000) 5.954 18.045 ( -0.000 -0.604 0.000) 0.604 18.190 ( -0.000 17.106 0.000) 17.106 18.787 ( 0.000 -2.056 0.000) 2.056 19.441 ( 0.000 0.079 0.000) 0.079 19.709 ( 0.000 22.201 0.000) 22.201 20.513 ( 0.000 -3.072 0.000) 3.072 21.167 ( 0.000 41.294 0.000) 41.294 21.297 ( -0.000 -6.179 0.000) 6.179 25.180 ( 0.000 -11.487 0.000) 11.487 25.925 ( -0.000 -0.247 0.000) 0.247 26.770 ( 0.000 -17.943 0.000) 17.943 27.857 ( -0.000 0.971 0.000) 0.971 28.573 ( -0.000 -2.649 0.000) 2.649 ======================= Grid point 231 (112/128) ======================= q-point: ( 0.10 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -14.393 5.202 4.271) 15.889 1.539 ( -0.855 25.647 -2.572) 25.790 1.646 ( 2.137 36.651 4.399) 36.976 1.820 ( 0.978 14.112 -6.647) 15.630 2.168 ( -16.119 11.313 -0.554) 19.701 2.393 ( 5.461 20.459 -0.120) 21.176 2.733 ( 5.113 4.961 -8.011) 10.720 2.786 ( 5.988 1.109 15.297) 16.464 2.850 ( 4.010 6.751 -19.534) 21.053 2.937 ( 7.069 9.639 -3.468) 12.446 3.325 ( 0.940 -4.734 3.972) 6.251 3.455 ( -0.406 5.598 -4.295) 7.067 3.695 ( 4.651 5.844 2.455) 7.862 3.864 ( -8.754 2.779 1.893) 9.378 4.032 ( -6.275 7.583 -3.180) 10.344 4.373 ( -0.708 1.719 -0.102) 1.862 4.578 ( -8.098 5.803 1.423) 10.063 4.662 ( -5.281 7.180 -0.483) 8.926 5.026 ( 0.200 -1.539 2.953) 3.336 5.246 ( 16.603 3.306 7.464) 18.501 5.463 ( 6.536 8.564 -2.831) 11.139 5.711 ( 2.538 -3.697 -2.706) 5.237 5.861 ( 10.813 -1.962 3.199) 11.446 6.370 ( -3.246 -10.752 -0.887) 11.266 6.564 ( -2.451 0.560 0.013) 2.514 6.686 ( -1.906 -11.001 3.026) 11.567 6.838 ( -5.588 -0.206 -0.825) 5.652 7.184 ( 7.632 -3.239 3.398) 8.960 7.468 ( 1.768 -9.848 -3.986) 10.770 7.767 ( -0.089 1.073 1.482) 1.832 8.142 ( 1.094 11.934 -2.540) 12.250 8.227 ( -0.456 9.098 2.617) 9.478 8.549 ( -5.785 3.213 -4.165) 7.819 8.659 ( 0.026 0.578 0.573) 0.814 8.835 ( -1.580 7.232 2.485) 7.809 9.257 ( 0.098 2.843 0.462) 2.882 9.439 ( -6.738 -2.530 -1.105) 7.282 9.718 ( -4.602 -6.540 1.506) 8.137 9.983 ( -5.224 -3.458 -12.198) 13.713 10.450 ( 9.444 -2.341 6.378) 11.634 10.568 ( -0.318 -2.015 3.217) 3.809 10.684 ( -1.364 2.117 -10.089) 10.398 10.768 ( -5.078 2.819 -2.938) 6.509 10.884 ( 0.445 -0.848 -0.152) 0.970 11.084 ( 9.084 7.246 7.006) 13.568 11.350 ( 6.218 5.124 4.806) 9.382 11.374 ( -3.147 -2.186 1.269) 4.036 11.517 ( -4.820 2.906 0.601) 5.660 11.848 ( -7.841 3.216 -2.365) 8.799 11.897 ( 3.147 10.557 -0.701) 11.039 12.287 ( -5.130 -5.443 -1.284) 7.589 12.714 ( 5.882 -7.931 3.228) 10.389 13.000 ( -0.025 7.807 5.078) 9.313 13.359 ( 8.880 3.570 -0.865) 9.610 13.470 ( -8.177 -10.693 -1.746) 13.574 13.962 ( -8.171 -5.725 2.686) 10.333 14.054 ( -1.161 -10.403 -2.324) 10.723 14.382 ( 8.818 -6.794 0.386) 11.138 14.535 ( -0.508 -6.545 -6.928) 9.544 14.630 ( 3.440 1.670 9.503) 10.243 15.071 ( 5.626 14.993 0.006) 16.014 15.709 ( -12.027 26.516 4.746) 29.500 16.737 ( 7.081 18.708 -4.161) 20.432 17.170 ( -21.666 -8.043 9.447) 24.967 17.484 ( -2.659 3.333 0.199) 4.269 17.910 ( -3.060 14.492 -6.759) 16.281 18.138 ( -4.739 6.861 1.506) 8.474 18.767 ( -2.091 -1.716 4.325) 5.101 19.275 ( -8.516 -3.140 1.433) 9.189 20.297 ( 25.753 0.318 5.331) 26.301 20.546 ( 3.123 -3.436 0.703) 4.696 21.255 ( -3.407 -5.749 -0.237) 6.687 21.466 ( 35.323 42.908 8.119) 56.167 25.212 ( 3.116 -10.861 3.778) 11.914 25.908 ( -3.087 -2.072 -2.690) 4.589 26.194 ( -43.594 -6.856 -21.124) 48.925 28.102 ( 14.563 -4.380 -3.771) 15.667 28.565 ( -0.840 -2.361 -0.842) 2.643 ======================= Grid point 232 (113/128) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -5.292 8.751 2.751) 10.590 1.532 ( -1.374 15.860 -0.647) 15.933 1.615 ( -5.695 25.290 -0.852) 25.938 1.842 ( -0.356 24.735 -7.676) 25.901 1.918 ( -3.065 25.187 -1.847) 25.440 2.488 ( 4.111 24.630 1.406) 25.010 2.769 ( 0.209 0.687 4.187) 4.248 2.887 ( 1.757 5.529 4.874) 7.577 2.978 ( 8.524 -1.461 -22.687) 24.280 3.089 ( 2.191 -0.732 2.842) 3.663 3.342 ( -5.769 -7.325 -1.069) 9.385 3.392 ( 7.010 11.171 1.946) 13.331 3.619 ( -10.444 4.045 0.902) 11.236 3.793 ( -5.634 9.065 1.200) 10.741 3.989 ( 6.582 7.366 -6.898) 12.048 4.301 ( -3.611 5.532 -2.558) 7.084 4.525 ( -0.888 0.190 -4.536) 4.626 4.666 ( 7.227 7.770 6.168) 12.274 5.010 ( -2.655 -1.556 5.196) 6.039 5.558 ( 13.871 2.291 6.583) 15.524 5.592 ( 6.299 3.281 -4.271) 8.287 5.772 ( 3.924 2.528 -0.634) 4.711 6.040 ( 5.580 -0.696 4.498) 7.201 6.302 ( -2.188 -8.735 -0.855) 9.046 6.509 ( -3.357 3.211 2.405) 5.231 6.624 ( -5.436 -13.895 4.919) 15.711 6.740 ( -3.624 1.068 -2.834) 4.723 7.326 ( 6.182 -3.288 2.543) 7.449 7.492 ( 1.714 -0.083 -3.654) 4.037 7.802 ( 2.752 -2.659 0.935) 3.940 8.163 ( -0.837 7.764 2.175) 8.107 8.233 ( 0.284 23.724 -2.598) 23.868 8.379 ( -5.128 -0.374 -2.169) 5.580 8.655 ( -2.296 14.960 -0.168) 15.136 8.882 ( 5.297 -8.910 2.335) 10.626 9.159 ( -8.822 0.375 -5.842) 10.588 9.304 ( -5.567 -1.826 0.232) 5.864 9.634 ( -3.604 -5.901 0.941) 6.978 9.938 ( -0.527 -3.387 -3.734) 5.069 10.454 ( -0.810 6.160 6.340) 8.877 10.590 ( -4.832 -3.832 1.164) 6.276 10.707 ( -0.009 6.869 -13.370) 15.031 10.793 ( 9.288 -5.906 -0.581) 11.022 10.920 ( 5.355 2.100 -0.108) 5.753 11.221 ( 1.102 -4.698 2.824) 5.591 11.302 ( -2.838 -0.026 1.376) 3.154 11.432 ( 0.141 7.041 0.979) 7.110 11.451 ( 1.509 5.525 6.857) 8.934 11.723 ( -4.986 5.183 -0.198) 7.195 11.983 ( 5.273 7.468 1.153) 9.214 12.200 ( -3.867 -5.312 -1.765) 6.803 12.586 ( -12.322 1.762 4.554) 13.254 13.164 ( 4.590 -4.588 -2.343) 6.900 13.299 ( -3.653 -5.708 1.662) 6.977 13.496 ( 3.615 -0.498 2.320) 4.324 13.788 ( -8.792 -3.109 1.003) 9.379 14.007 ( -3.204 -11.106 -0.083) 11.559 14.469 ( -0.712 -7.717 -0.075) 7.750 14.606 ( 9.870 -8.138 0.449) 12.801 14.724 ( 4.283 -2.109 5.726) 7.456 15.218 ( 7.484 13.833 0.298) 15.731 15.472 ( -8.746 41.194 5.778) 42.506 16.779 ( -7.113 13.313 0.374) 15.098 16.989 ( 9.303 1.232 1.780) 9.551 17.553 ( 8.000 2.286 -9.207) 12.410 17.899 ( 1.007 14.040 -4.244) 14.702 18.017 ( -7.610 5.065 0.155) 9.143 18.716 ( -3.869 -1.068 8.204) 9.133 19.087 ( -11.638 -4.201 2.269) 12.579 20.438 ( -5.015 1.307 4.550) 6.896 20.625 ( 4.489 -4.602 0.529) 6.450 21.161 ( -5.731 -6.794 -1.621) 9.035 22.373 ( 47.270 25.323 19.363) 57.015 25.225 ( -25.775 -4.397 -19.134) 32.401 25.351 ( -8.689 -3.792 -2.989) 9.940 25.921 ( -0.631 -1.883 -3.613) 4.123 28.246 ( 0.906 -5.062 -7.143) 8.802 28.537 ( -1.992 -1.653 -1.383) 2.935 ======================= Grid point 233 (114/128) ======================= q-point: ( 0.30 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 15.081 7.627 -4.685) 17.538 1.453 ( -2.268 5.544 -0.230) 5.994 1.565 ( 0.364 16.184 0.205) 16.189 1.815 ( -0.185 50.016 -2.074) 50.060 2.008 ( 7.908 23.379 -4.574) 25.101 2.546 ( 1.639 23.804 0.859) 23.875 2.747 ( -5.203 -3.926 6.596) 9.273 2.796 ( -11.447 0.236 2.609) 11.743 2.913 ( -12.203 -2.154 -10.639) 16.333 3.040 ( -4.232 10.534 3.841) 11.985 3.333 ( 9.102 -2.563 4.830) 10.618 3.493 ( -1.787 4.656 -2.349) 5.512 3.682 ( 10.596 4.714 -6.608) 13.348 3.714 ( 3.754 4.185 1.666) 5.864 4.035 ( -1.681 7.021 -5.002) 8.783 4.253 ( -1.239 8.688 -3.295) 9.374 4.536 ( 1.824 -0.287 -6.805) 7.051 4.898 ( 7.564 1.784 9.306) 12.124 4.938 ( 1.836 0.308 -1.555) 2.426 5.669 ( 2.714 0.944 -2.196) 3.616 5.742 ( 4.577 -3.401 -0.931) 5.778 5.849 ( 2.390 2.785 2.541) 4.463 6.065 ( -1.888 4.907 7.616) 9.254 6.325 ( 3.226 -7.051 0.043) 7.754 6.427 ( -6.240 -1.864 8.546) 10.745 6.525 ( -1.754 2.883 -2.602) 4.261 6.706 ( -0.055 0.711 -1.863) 1.995 7.372 ( -1.431 -2.616 -0.350) 3.002 7.593 ( 8.900 9.025 -1.443) 12.757 7.831 ( 0.093 -3.343 0.975) 3.483 8.025 ( -9.475 13.154 -1.663) 16.296 8.239 ( 0.315 -3.686 0.115) 3.702 8.435 ( 2.372 23.181 6.547) 24.205 8.627 ( 3.402 10.653 -4.376) 12.008 8.950 ( 0.915 -6.860 -5.450) 8.810 9.045 ( -1.326 -4.599 -3.230) 5.774 9.228 ( -1.886 -0.284 0.044) 1.908 9.573 ( -3.314 -6.557 -0.091) 7.348 9.927 ( -0.332 -5.245 5.485) 7.597 10.434 ( -6.516 1.509 -2.411) 7.110 10.536 ( 4.070 -0.298 10.259) 11.041 10.691 ( -0.691 9.222 -14.836) 17.483 10.909 ( 4.618 -5.099 0.477) 6.896 11.051 ( 2.551 2.340 2.937) 4.540 11.170 ( -3.195 -6.454 0.927) 7.261 11.268 ( -0.005 1.216 1.275) 1.762 11.403 ( -1.095 5.676 0.817) 5.838 11.550 ( 4.420 7.789 1.334) 9.055 11.653 ( -1.987 6.730 -0.112) 7.018 12.054 ( 0.500 -0.890 -1.071) 1.479 12.166 ( 1.614 -0.406 1.053) 1.969 12.355 ( -11.014 3.684 5.199) 12.724 13.020 ( -10.577 -5.995 -3.322) 12.603 13.383 ( 0.215 -3.401 1.152) 3.597 13.473 ( -1.796 -8.821 1.533) 9.131 13.709 ( 0.409 3.581 1.376) 3.858 13.956 ( -1.805 -9.551 1.440) 9.826 14.452 ( -0.730 -6.766 2.004) 7.094 14.758 ( 1.191 -8.634 7.958) 11.802 14.846 ( 11.664 -10.468 -2.560) 15.880 15.253 ( -1.055 40.583 4.618) 40.858 15.506 ( 8.621 24.401 -2.966) 26.049 16.658 ( -6.047 6.198 0.356) 8.666 17.266 ( 17.797 5.311 -0.472) 18.579 17.740 ( 10.313 3.019 -10.763) 15.209 17.873 ( -5.277 4.263 -3.790) 7.770 17.923 ( 1.911 13.897 -4.033) 14.596 18.630 ( -6.111 -0.590 11.478) 13.017 18.832 ( -15.141 -2.823 3.749) 15.852 20.268 ( -11.043 2.373 2.103) 11.489 20.688 ( 1.527 -3.849 -0.071) 4.142 21.059 ( -3.993 -8.480 -0.997) 9.426 23.097 ( 24.369 14.063 15.998) 32.366 24.666 ( -17.292 6.258 -20.523) 27.557 25.445 ( 6.217 -6.634 7.043) 11.501 25.920 ( 0.791 -3.857 -3.662) 5.377 28.165 ( -7.230 -3.535 -7.080) 10.719 28.487 ( -3.020 -0.949 -1.420) 3.470 ======================= Grid point 234 (115/128) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 13.548 6.162 -4.957) 15.688 1.435 ( -1.643 9.429 2.358) 9.858 1.712 ( 16.189 9.262 -0.544) 18.659 1.814 ( -0.225 53.419 -1.109) 53.431 2.151 ( 6.253 21.886 -2.772) 22.930 2.447 ( -18.150 -0.092 1.707) 18.231 2.559 ( -9.743 10.192 0.068) 14.100 2.569 ( -3.065 14.319 1.909) 14.768 2.823 ( -0.278 6.003 0.335) 6.019 2.946 ( -5.484 3.442 1.295) 6.603 3.454 ( -0.778 4.389 0.247) 4.464 3.522 ( 7.193 -4.616 10.117) 13.244 3.765 ( 2.130 3.093 -11.885) 12.465 3.835 ( 2.481 4.567 -1.746) 5.483 4.031 ( 1.660 0.289 -2.288) 2.842 4.287 ( 6.519 12.608 -1.414) 14.264 4.551 ( 0.067 0.419 -5.360) 5.377 4.779 ( -8.459 0.881 5.824) 10.307 5.182 ( 10.154 0.141 -1.996) 10.349 5.714 ( 1.232 -3.453 -1.928) 4.142 5.745 ( -0.862 0.806 -1.004) 1.549 5.893 ( 0.927 -2.444 2.817) 3.843 6.002 ( -2.652 6.245 6.015) 9.067 6.277 ( -7.171 1.678 1.444) 7.505 6.404 ( 2.442 -5.475 1.047) 6.086 6.563 ( 2.787 -1.009 1.430) 3.291 6.742 ( 4.386 15.469 -1.992) 16.201 7.306 ( -4.753 -1.207 -0.301) 4.913 7.771 ( 6.841 9.010 1.268) 11.384 7.811 ( -0.654 7.908 -1.705) 8.116 7.903 ( -2.105 0.206 -2.502) 3.276 8.222 ( -2.538 -4.561 1.667) 5.479 8.382 ( -4.414 19.823 4.884) 20.887 8.762 ( 5.370 16.184 -2.335) 17.210 8.964 ( 3.035 -6.808 -7.719) 10.730 9.070 ( 2.540 -5.265 -0.128) 5.847 9.223 ( 1.268 -5.562 0.538) 5.730 9.495 ( -4.773 -4.196 -1.424) 6.513 9.947 ( 1.485 -5.178 10.349) 11.667 10.294 ( -6.483 -2.355 -4.693) 8.342 10.640 ( 2.586 3.492 1.901) 4.743 10.679 ( 2.597 6.115 -2.341) 7.044 10.936 ( -3.255 -2.010 -1.463) 4.096 11.063 ( 1.743 2.206 0.868) 2.943 11.134 ( 0.694 -3.768 2.115) 4.376 11.301 ( 2.175 -0.252 1.936) 2.922 11.358 ( -4.080 6.843 3.203) 8.587 11.569 ( -4.239 8.234 -2.606) 9.621 11.686 ( 6.082 6.343 -3.565) 9.484 12.040 ( -0.077 -3.714 -4.152) 5.571 12.188 ( -3.291 3.113 1.975) 4.942 12.243 ( 1.472 1.290 7.111) 7.376 12.829 ( -8.631 -3.777 -2.173) 9.669 13.265 ( -6.420 -9.036 -0.088) 11.085 13.524 ( 2.728 -3.578 0.156) 4.502 13.732 ( 1.120 1.722 1.053) 2.308 13.939 ( -0.308 -7.281 1.466) 7.433 14.444 ( -0.307 -6.063 1.855) 6.348 14.763 ( -0.398 -9.852 5.016) 11.063 15.034 ( 6.615 -15.345 -2.900) 16.960 15.260 ( 0.972 49.756 2.756) 49.842 15.701 ( 11.404 20.462 -2.641) 23.573 16.513 ( -8.963 7.555 0.616) 11.739 17.634 ( 18.660 1.364 -0.370) 18.713 17.726 ( -3.611 4.778 0.433) 6.004 17.940 ( 3.372 15.046 -3.745) 15.867 18.034 ( 12.618 0.881 -17.862) 21.886 18.492 ( -10.707 -1.156 11.066) 15.441 18.522 ( -15.843 0.934 7.723) 17.650 20.075 ( -7.948 2.227 0.323) 8.260 20.683 ( -1.423 -2.938 -0.563) 3.312 21.019 ( -0.530 -10.164 0.025) 10.178 23.334 ( 2.587 10.407 3.483) 11.276 24.546 ( 2.381 8.004 -4.390) 9.435 25.549 ( 3.630 -5.925 4.527) 8.293 25.943 ( 1.573 -4.671 -2.394) 5.480 28.012 ( -6.869 -2.058 -4.580) 8.508 28.429 ( -2.475 -0.551 -0.892) 2.688 ======================= Grid point 235 (116/128) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -0.000 11.869 0.000) 11.869 1.460 ( -0.000 7.613 0.000) 7.613 1.806 ( -0.000 52.596 0.000) 52.596 2.067 ( 0.000 5.048 -0.000) 5.048 2.092 ( -0.000 0.895 0.000) 0.895 2.213 ( -0.000 19.727 -0.000) 19.727 2.448 ( -0.000 10.579 0.000) 10.579 2.546 ( -0.000 17.356 0.000) 17.356 2.819 ( -0.000 11.324 0.000) 11.324 2.890 ( -0.000 -1.060 0.000) 1.060 3.453 ( -0.000 2.247 0.000) 2.247 3.579 ( -0.000 -4.363 0.000) 4.363 3.786 ( -0.000 1.571 -0.000) 1.571 3.854 ( 0.000 6.364 0.000) 6.364 4.040 ( -0.000 0.479 0.000) 0.479 4.414 ( -0.000 11.381 -0.000) 11.381 4.533 ( -0.000 0.939 0.000) 0.939 4.668 ( -0.000 1.565 0.000) 1.565 5.277 ( -0.000 -1.239 0.000) 1.239 5.693 ( 0.000 -1.630 -0.000) 1.630 5.794 ( 0.000 -3.057 -0.000) 3.057 5.836 ( -0.000 2.737 0.000) 2.737 6.044 ( -0.000 -1.709 0.000) 1.709 6.173 ( -0.000 10.020 0.000) 10.020 6.430 ( -0.000 -5.930 0.000) 5.930 6.586 ( -0.000 -8.213 -0.000) 8.213 6.811 ( -0.000 27.188 0.000) 27.188 7.242 ( -0.000 -4.410 0.000) 4.410 7.764 ( -0.000 9.010 0.000) 9.010 7.872 ( -0.000 3.194 0.000) 3.194 7.910 ( -0.000 5.980 0.000) 5.980 8.175 ( -0.000 -2.229 0.000) 2.229 8.341 ( -0.000 14.701 0.000) 14.701 8.796 ( -0.000 17.568 0.000) 17.568 9.042 ( 0.000 -1.375 -0.000) 1.375 9.059 ( -0.000 -13.349 0.000) 13.349 9.274 ( -0.000 -8.872 0.000) 8.872 9.420 ( -0.000 1.084 0.000) 1.084 9.974 ( -0.000 -3.843 0.000) 3.843 10.219 ( -0.000 -4.350 0.000) 4.350 10.644 ( -0.000 9.308 0.000) 9.308 10.742 ( -0.000 -4.440 0.000) 4.440 10.877 ( -0.000 4.708 0.000) 4.708 11.070 ( -0.000 -0.598 0.000) 0.598 11.222 ( 0.000 2.823 -0.000) 2.823 11.225 ( -0.000 -2.562 0.000) 2.562 11.397 ( -0.000 2.733 0.000) 2.733 11.466 ( -0.000 9.710 -0.000) 9.710 11.758 ( -0.000 6.179 0.000) 6.179 12.047 ( -0.000 -1.224 0.000) 1.224 12.152 ( -0.000 3.830 0.000) 3.830 12.274 ( -0.000 -1.973 0.000) 1.973 12.730 ( -0.000 -2.671 0.000) 2.671 13.200 ( -0.000 -9.461 0.000) 9.461 13.550 ( -0.000 -2.813 0.000) 2.813 13.744 ( -0.000 0.466 0.000) 0.466 13.938 ( -0.000 -6.314 0.000) 6.314 14.442 ( -0.000 -5.809 -0.000) 5.809 14.761 ( -0.000 -9.970 0.000) 9.970 15.091 ( -0.000 -15.427 0.000) 15.427 15.273 ( -0.000 50.835 0.000) 50.835 15.849 ( -0.000 19.015 0.000) 19.015 16.392 ( -0.000 8.744 0.000) 8.744 17.677 ( -0.000 4.805 0.000) 4.805 17.858 ( -0.000 6.987 0.000) 6.987 18.055 ( -0.000 0.330 0.000) 0.330 18.179 ( 0.000 2.568 0.000) 2.568 18.262 ( 0.000 7.490 -0.000) 7.490 18.364 ( -0.000 -0.991 0.000) 0.991 19.995 ( -0.000 2.099 -0.000) 2.099 20.664 ( -0.000 -2.910 0.000) 2.910 21.017 ( -0.000 -10.476 0.000) 10.476 23.341 ( -0.000 10.013 0.000) 10.013 24.590 ( -0.000 7.807 0.000) 7.807 25.585 ( -0.000 -5.874 0.000) 5.874 25.961 ( -0.000 -4.734 -0.000) 4.734 27.938 ( -0.000 -1.473 0.000) 1.473 28.403 ( -0.000 -0.432 0.000) 0.432 ======================= Grid point 241 (117/128) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.000 6.248 0.000) 6.248 1.664 ( 0.000 -2.078 0.000) 2.078 2.132 ( -0.000 9.404 0.000) 9.404 2.154 ( 0.000 20.823 0.000) 20.823 2.472 ( 0.000 6.847 0.000) 6.847 2.649 ( 0.000 2.400 0.000) 2.400 2.737 ( -0.000 1.618 0.000) 1.618 2.895 ( -0.000 -2.028 0.000) 2.028 3.098 ( 0.000 41.557 0.000) 41.557 3.206 ( -0.000 -2.014 0.000) 2.014 3.299 ( -0.000 13.476 0.000) 13.476 3.568 ( 0.000 11.921 -0.000) 11.921 4.038 ( 0.000 25.545 0.000) 25.545 4.100 ( -0.000 12.270 0.000) 12.270 4.191 ( -0.000 11.172 0.000) 11.172 4.395 ( -0.000 0.099 0.000) 0.099 4.776 ( 0.000 3.922 0.000) 3.922 4.894 ( -0.000 0.887 0.000) 0.887 4.979 ( -0.000 -2.317 -0.000) 2.317 5.019 ( 0.000 1.493 0.000) 1.493 5.488 ( -0.000 -15.730 0.000) 15.730 5.656 ( 0.000 13.653 0.000) 13.653 5.702 ( 0.000 -1.433 0.000) 1.433 6.202 ( -0.000 -10.248 0.000) 10.248 6.584 ( -0.000 -0.986 0.000) 0.986 6.604 ( -0.000 1.401 0.000) 1.401 6.940 ( -0.000 -6.721 -0.000) 6.721 6.994 ( 0.000 3.352 0.000) 3.352 7.317 ( -0.000 -1.998 0.000) 1.998 7.747 ( 0.000 -6.229 0.000) 6.229 8.148 ( -0.000 -7.490 0.000) 7.490 8.158 ( 0.000 -8.414 -0.000) 8.414 8.547 ( 0.000 5.189 0.000) 5.189 8.761 ( -0.000 2.028 0.000) 2.028 9.174 ( -0.000 14.896 -0.000) 14.896 9.430 ( 0.000 12.141 -0.000) 12.141 9.450 ( -0.000 -2.974 0.000) 2.974 9.563 ( -0.000 -11.382 -0.000) 11.382 9.992 ( 0.000 -7.599 0.000) 7.599 10.063 ( -0.000 -12.081 -0.000) 12.081 10.510 ( 0.000 -2.365 0.000) 2.365 10.779 ( 0.000 3.537 0.000) 3.537 10.801 ( -0.000 -5.415 -0.000) 5.415 11.031 ( 0.000 5.371 0.000) 5.371 11.151 ( -0.000 11.194 -0.000) 11.194 11.302 ( -0.000 -4.868 0.000) 4.868 11.437 ( -0.000 3.389 -0.000) 3.389 11.634 ( -0.000 5.785 0.000) 5.785 12.100 ( -0.000 11.950 0.000) 11.950 12.126 ( 0.000 13.169 0.000) 13.169 12.281 ( 0.000 -6.153 0.000) 6.153 12.384 ( -0.000 -1.362 0.000) 1.362 13.196 ( -0.000 -3.367 0.000) 3.367 13.274 ( 0.000 -16.020 0.000) 16.020 13.368 ( -0.000 13.084 0.000) 13.084 13.787 ( 0.000 -12.609 0.000) 12.609 13.946 ( 0.000 -7.690 0.000) 7.690 14.133 ( 0.000 -9.915 0.000) 9.915 14.425 ( -0.000 -3.477 0.000) 3.477 14.553 ( -0.000 -4.017 0.000) 4.017 15.392 ( 0.000 21.345 0.000) 21.345 16.275 ( -0.000 8.641 0.000) 8.641 17.067 ( -0.000 31.972 0.000) 31.972 17.273 ( -0.000 3.202 0.000) 3.202 17.528 ( 0.000 -5.378 0.000) 5.378 18.212 ( -0.000 15.048 0.000) 15.048 18.467 ( -0.000 6.468 0.000) 6.468 18.727 ( 0.000 -3.146 0.000) 3.146 19.510 ( 0.000 8.801 0.000) 8.801 19.979 ( 0.000 8.226 0.000) 8.226 20.435 ( 0.000 -4.325 0.000) 4.325 21.109 ( -0.000 -13.581 0.000) 13.581 22.236 ( 0.000 62.330 0.000) 62.330 24.843 ( 0.000 -23.779 0.000) 23.779 25.923 ( -0.000 0.291 0.000) 0.291 26.387 ( -0.000 -19.224 0.000) 19.224 27.912 ( -0.000 5.304 0.000) 5.304 28.478 ( -0.000 -7.443 0.000) 7.443 ======================= Grid point 243 (118/128) ======================= q-point: ( 0.10 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -10.600 8.516 1.277) 13.657 1.639 ( -2.165 -2.808 -0.807) 3.636 2.124 ( -5.704 9.860 -3.822) 12.016 2.195 ( 2.981 22.382 0.081) 22.580 2.396 ( -0.211 6.803 0.258) 6.812 2.782 ( 11.015 3.615 -12.627) 17.142 2.786 ( 1.248 1.900 16.588) 16.743 2.896 ( 3.275 -1.124 -8.387) 9.074 3.024 ( -5.348 17.449 -9.924) 20.774 3.237 ( -0.226 28.762 -1.290) 28.792 3.252 ( -0.206 -0.879 -2.321) 2.491 3.689 ( 7.067 11.865 8.106) 16.014 3.956 ( -10.856 7.793 1.226) 13.419 4.008 ( -1.760 23.631 -4.113) 24.051 4.206 ( -0.273 18.415 -2.714) 18.616 4.404 ( 0.640 -0.127 -1.923) 2.031 4.663 ( -9.212 4.048 1.430) 10.163 4.797 ( -2.853 5.250 1.245) 6.104 4.988 ( 0.222 -2.397 2.390) 3.392 5.222 ( 12.613 -3.693 1.277) 13.205 5.541 ( 4.420 -12.020 -1.116) 12.856 5.737 ( 7.777 11.881 5.026) 15.064 5.808 ( 9.470 -3.110 1.920) 10.151 6.168 ( -3.474 -11.328 -1.744) 11.976 6.560 ( -1.851 1.045 0.843) 2.287 6.593 ( -1.665 1.157 2.492) 3.213 6.839 ( -4.600 -0.597 -1.315) 4.821 7.141 ( 8.917 -1.350 2.292) 9.305 7.358 ( 4.292 -1.257 -1.999) 4.898 7.737 ( -0.438 -5.861 1.564) 6.082 8.142 ( 1.308 -5.260 1.060) 5.523 8.238 ( 6.094 -8.336 -4.155) 11.131 8.565 ( 0.061 4.202 0.237) 4.209 8.703 ( -4.086 3.804 -2.135) 5.977 9.129 ( -3.388 10.909 0.370) 11.429 9.323 ( -7.429 -5.962 -1.472) 9.638 9.410 ( -5.710 8.567 -0.281) 10.299 9.602 ( 1.267 -1.688 5.101) 5.521 9.876 ( -2.467 -6.556 -11.160) 13.176 10.313 ( 14.903 -10.222 9.251) 20.301 10.515 ( -0.179 -3.043 3.102) 4.349 10.675 ( -5.764 -1.154 -4.321) 7.295 10.863 ( 1.683 -0.873 -2.451) 3.098 10.939 ( -2.074 10.618 -2.969) 11.219 11.215 ( 0.562 1.978 -3.104) 3.724 11.376 ( -1.477 -0.694 2.848) 3.282 11.386 ( 4.998 3.987 5.293) 8.300 11.646 ( 0.440 8.208 0.356) 8.228 11.982 ( -7.908 10.018 -2.682) 13.042 12.123 ( -1.415 9.606 -2.368) 9.994 12.198 ( -2.605 0.482 0.108) 2.652 12.574 ( 9.289 -4.816 3.067) 10.904 13.106 ( -5.739 -1.329 1.794) 6.158 13.227 ( -4.038 -11.007 0.732) 11.747 13.429 ( 2.795 1.986 4.843) 5.933 13.793 ( 0.149 -10.802 -0.985) 10.848 13.843 ( -7.614 -7.108 0.775) 10.445 14.216 ( 5.921 -10.151 1.630) 11.864 14.423 ( 0.097 -3.216 -2.550) 4.105 14.564 ( 1.140 -5.408 4.312) 7.010 15.435 ( 4.505 20.903 0.556) 21.390 16.293 ( 2.061 12.662 -3.429) 13.279 17.083 ( -7.680 24.214 6.271) 26.166 17.186 ( 0.528 12.639 -4.195) 13.327 17.513 ( 0.507 -0.008 0.126) 0.522 18.173 ( -2.799 14.367 -6.832) 16.153 18.401 ( -5.438 12.782 2.106) 14.049 18.715 ( -1.277 -3.202 3.844) 5.163 19.256 ( -14.693 4.628 -0.659) 15.419 20.274 ( 14.000 -4.698 3.091) 15.087 20.476 ( 4.227 -1.838 1.490) 4.844 21.075 ( -3.395 -12.526 -1.067) 13.021 22.473 ( 23.213 56.688 12.484) 62.515 24.896 ( 5.141 -22.235 5.136) 23.392 25.861 ( -9.948 -2.341 -5.932) 11.817 26.042 ( -25.007 -8.007 -15.094) 30.287 28.048 ( 9.605 0.025 -1.171) 9.676 28.478 ( -0.054 -6.857 -0.769) 6.900 ======================= Grid point 244 (119/128) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -2.913 12.063 -1.421) 12.491 1.593 ( -2.627 -2.908 -1.416) 4.167 1.890 ( -12.513 13.551 -1.794) 18.532 2.287 ( 6.393 19.044 -5.321) 20.781 2.507 ( 7.971 10.264 2.022) 13.152 2.714 ( -6.914 -0.856 7.722) 10.400 2.893 ( -4.991 7.074 -8.809) 12.351 2.969 ( 4.536 3.912 -13.207) 14.502 3.079 ( 10.176 7.205 5.359) 13.572 3.183 ( -0.039 0.442 0.288) 0.528 3.324 ( 4.458 25.680 -6.361) 26.829 3.694 ( -4.780 12.274 1.670) 13.277 3.717 ( -11.264 6.291 4.159) 13.556 4.090 ( 5.019 21.652 -5.201) 22.827 4.175 ( -0.697 17.584 -3.898) 18.024 4.406 ( -0.171 3.464 -1.831) 3.922 4.531 ( -3.666 0.923 -1.244) 3.980 4.810 ( 4.700 6.751 2.737) 8.669 4.972 ( -2.185 -1.986 4.349) 5.256 5.443 ( 9.819 -7.244 -0.985) 12.242 5.623 ( 4.134 -5.652 -1.010) 7.075 5.901 ( 6.105 5.705 4.796) 9.635 5.986 ( 5.494 -4.018 5.585) 8.805 6.100 ( 0.202 -13.150 -1.588) 13.247 6.488 ( -6.577 0.778 6.777) 9.476 6.581 ( 0.573 3.574 0.127) 3.622 6.789 ( 0.131 4.266 -1.715) 4.599 7.295 ( 6.533 -0.616 0.838) 6.615 7.481 ( 8.761 1.144 -3.041) 9.344 7.750 ( 1.529 -5.141 2.079) 5.752 8.183 ( 2.048 -1.977 -0.048) 2.847 8.364 ( 4.719 -7.605 -4.106) 9.847 8.453 ( -6.483 7.000 -3.164) 10.052 8.732 ( 5.626 0.577 0.067) 5.656 9.049 ( -4.731 4.780 1.389) 6.868 9.175 ( -9.975 1.278 -0.129) 10.057 9.305 ( -1.203 4.400 -2.019) 4.989 9.583 ( -3.402 4.539 3.133) 6.481 9.853 ( -1.256 -2.576 -3.940) 4.872 10.462 ( -1.671 -4.659 9.165) 10.416 10.520 ( -1.374 -3.738 3.520) 5.315 10.645 ( 5.282 -7.350 -1.217) 9.133 10.880 ( 3.107 6.437 -11.260) 13.337 11.010 ( 7.205 6.120 2.123) 9.689 11.169 ( -3.642 1.048 -6.486) 7.513 11.302 ( -2.899 -0.396 2.890) 4.113 11.564 ( 8.353 5.274 8.523) 13.048 11.625 ( -2.142 12.560 -3.203) 13.138 11.879 ( -2.888 9.680 1.559) 10.222 12.030 ( -6.461 -2.667 -4.107) 8.107 12.207 ( 2.111 6.851 -0.481) 7.185 12.605 ( -6.079 1.480 3.116) 6.989 13.000 ( -6.699 -12.784 -2.859) 14.714 13.225 ( 5.000 -2.856 4.110) 7.075 13.407 ( -6.306 -7.842 5.770) 11.600 13.691 ( -5.276 -11.780 -1.609) 13.007 13.825 ( 1.573 0.206 3.059) 3.446 14.293 ( 1.059 -10.158 3.597) 10.828 14.471 ( 5.723 -5.001 -0.074) 7.601 14.596 ( 1.736 -7.297 2.513) 7.910 15.563 ( 8.505 19.263 0.510) 21.064 16.348 ( 4.104 23.957 -6.119) 25.064 16.834 ( -11.569 16.043 8.231) 21.423 17.336 ( 10.280 25.765 -4.133) 28.046 17.578 ( 6.848 -0.327 -6.418) 9.391 18.101 ( -4.963 10.505 -4.926) 12.619 18.312 ( -3.112 17.975 1.434) 18.298 18.681 ( -3.003 -2.607 7.131) 8.165 19.011 ( -11.729 -0.131 -0.120) 11.731 20.399 ( 0.826 -11.378 0.574) 11.422 20.528 ( -0.081 -0.410 3.144) 3.172 20.981 ( -6.120 -11.063 -2.056) 12.809 23.036 ( 29.945 41.176 19.904) 54.666 25.030 ( 7.033 -17.085 6.202) 19.489 25.335 ( -28.678 3.573 -20.151) 35.231 25.847 ( -3.954 -6.147 -6.325) 9.665 28.159 ( 1.408 -2.566 -4.031) 4.981 28.468 ( -1.101 -5.813 -1.381) 6.075 ======================= Grid point 245 (120/128) ======================= q-point: ( 0.30 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 10.965 10.427 -4.510) 15.789 1.534 ( -2.302 1.058 0.268) 2.547 1.778 ( 1.487 13.729 -1.896) 13.939 2.393 ( 3.063 9.499 -2.412) 10.268 2.586 ( -6.316 8.092 1.409) 10.361 2.614 ( 1.658 5.626 -0.479) 5.884 2.824 ( -2.309 -2.675 -7.736) 8.504 2.874 ( -6.907 12.440 7.059) 15.883 3.190 ( -0.600 15.028 -6.807) 16.509 3.253 ( 0.794 16.503 0.162) 16.523 3.337 ( -1.297 12.544 7.567) 14.707 3.613 ( 1.630 5.729 -8.450) 10.338 3.707 ( 7.496 1.014 4.668) 8.889 4.057 ( -3.843 30.242 -1.874) 30.542 4.182 ( -2.058 8.201 -6.376) 10.590 4.415 ( 1.893 6.958 -1.109) 7.296 4.517 ( 1.614 -2.122 -4.867) 5.549 4.909 ( -3.946 0.669 5.484) 6.789 4.985 ( 10.918 2.939 0.061) 11.306 5.573 ( 3.750 -8.545 -2.813) 9.746 5.714 ( 5.521 -0.522 -0.098) 5.546 5.870 ( -5.509 -1.973 -0.038) 5.852 6.072 ( 4.386 -7.117 5.288) 9.892 6.202 ( 5.596 -8.714 3.545) 10.946 6.335 ( -9.324 2.281 7.595) 12.240 6.566 ( -2.694 -0.279 -1.165) 2.948 6.873 ( 8.341 11.713 0.332) 14.383 7.389 ( 3.201 2.559 -0.903) 4.196 7.665 ( 9.288 1.758 -3.550) 10.098 7.790 ( 2.834 -1.625 1.569) 3.625 8.159 ( -6.961 0.882 -2.389) 7.412 8.276 ( -1.504 9.096 -1.654) 9.367 8.560 ( 8.335 -10.118 -3.074) 13.465 8.841 ( 3.947 -3.224 0.130) 5.098 8.971 ( -7.250 12.763 10.320) 17.943 9.010 ( -0.929 -2.136 -5.534) 6.004 9.313 ( 0.360 7.470 -2.964) 8.045 9.503 ( -4.394 7.841 -0.069) 8.989 9.809 ( -1.917 -4.768 3.035) 5.968 10.382 ( -6.938 -4.356 3.700) 8.989 10.526 ( 2.941 -2.638 5.274) 6.590 10.715 ( 1.264 -7.221 0.218) 7.334 10.969 ( 6.603 7.925 -10.728) 14.883 11.044 ( -4.187 -2.112 -1.909) 5.063 11.203 ( 5.829 10.383 1.182) 11.966 11.271 ( -0.475 -0.918 4.693) 4.805 11.577 ( -1.209 13.651 -0.814) 13.729 11.715 ( 6.245 7.106 -0.715) 9.488 11.825 ( -3.978 11.819 2.021) 12.634 11.927 ( -2.639 -9.126 -4.043) 10.324 12.246 ( 1.547 4.105 -1.910) 4.785 12.441 ( -9.091 6.006 5.949) 12.414 12.857 ( -7.469 -11.026 -2.985) 13.648 13.222 ( -10.515 -13.172 3.329) 17.180 13.359 ( 5.984 -2.250 1.598) 6.590 13.631 ( -1.470 -12.355 -1.506) 12.533 13.863 ( 1.787 2.738 5.415) 6.325 14.297 ( -0.212 -9.327 4.649) 10.423 14.565 ( 1.924 -8.208 3.316) 9.059 14.663 ( 5.923 -8.484 -2.149) 10.568 15.747 ( 10.387 18.070 0.398) 20.846 16.434 ( 5.037 37.221 -6.494) 38.118 16.707 ( -3.257 15.575 4.867) 16.639 17.523 ( 9.642 19.768 1.755) 22.064 17.773 ( 13.742 -0.230 -15.010) 20.352 17.971 ( -7.579 8.504 -1.210) 11.455 18.283 ( -0.949 16.759 -0.420) 16.791 18.604 ( -6.010 -2.505 9.634) 11.628 18.793 ( -10.870 2.925 0.525) 11.269 20.302 ( -9.337 -1.786 0.399) 9.514 20.552 ( 2.333 -9.743 1.700) 10.162 20.848 ( -7.028 -11.702 -1.814) 13.771 23.519 ( 16.488 29.446 15.727) 37.232 24.859 ( -12.507 13.871 -16.434) 24.878 25.230 ( 7.423 -16.262 8.969) 20.000 25.791 ( -1.175 -9.938 -5.757) 11.545 28.108 ( -5.337 -1.272 -4.907) 7.361 28.431 ( -2.498 -5.219 -1.564) 5.994 ======================= Grid point 246 (121/128) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 13.260 6.836 -2.011) 15.053 1.532 ( 1.200 3.637 0.905) 3.936 1.903 ( 10.386 11.405 -2.594) 15.642 2.342 ( -9.500 -2.642 -3.912) 10.608 2.440 ( -5.194 5.968 3.129) 8.508 2.625 ( -3.336 14.930 2.254) 15.464 2.723 ( 1.572 8.211 -2.357) 8.687 2.911 ( 1.474 6.303 1.905) 6.747 3.049 ( -9.383 5.636 -2.442) 11.215 3.183 ( -3.763 41.568 -0.412) 41.740 3.401 ( 4.098 -6.380 9.332) 12.024 3.690 ( 4.732 11.139 -10.772) 16.202 3.868 ( 4.374 1.436 3.115) 5.559 3.985 ( -1.253 22.931 2.269) 23.077 4.119 ( -2.822 9.885 -5.762) 11.785 4.488 ( 5.374 6.010 -3.993) 8.997 4.553 ( 2.600 0.101 -2.185) 3.398 4.814 ( -6.177 3.482 2.649) 7.570 5.156 ( 5.129 -4.393 1.174) 6.854 5.615 ( 1.582 -6.448 -2.503) 7.095 5.763 ( -0.232 0.728 -1.911) 2.058 5.847 ( 3.133 -2.060 0.416) 3.773 6.114 ( -3.258 1.976 5.860) 6.989 6.198 ( -1.319 -6.340 3.993) 7.608 6.286 ( 2.891 -5.512 2.452) 6.690 6.488 ( -4.776 -3.304 -1.980) 6.136 7.061 ( 10.055 10.371 1.756) 14.551 7.398 ( -2.518 9.057 -1.429) 9.508 7.765 ( 2.573 -3.060 -1.118) 4.151 7.897 ( 6.567 5.461 -1.816) 8.731 8.006 ( -6.770 4.864 -1.520) 8.473 8.301 ( 2.781 10.195 -1.709) 10.705 8.658 ( 0.022 -10.943 1.649) 11.066 8.848 ( 0.481 5.057 3.403) 6.114 8.892 ( -0.433 0.931 -1.007) 1.438 9.055 ( 0.820 -7.932 0.689) 8.004 9.292 ( -1.080 19.327 -2.128) 19.474 9.443 ( -1.274 4.663 -3.115) 5.751 9.826 ( 3.162 -6.288 7.033) 9.950 10.234 ( -7.993 -3.460 -0.229) 8.713 10.600 ( 3.430 -4.512 4.194) 7.051 10.718 ( -0.557 -5.965 -0.318) 5.999 10.961 ( -3.215 3.202 -2.901) 5.386 11.097 ( 6.292 5.353 -6.376) 10.436 11.258 ( 0.873 13.250 1.515) 13.365 11.302 ( 3.449 -1.795 5.980) 7.133 11.512 ( -6.406 10.352 1.243) 12.237 11.735 ( -5.534 7.715 -1.656) 9.638 11.837 ( 4.195 8.085 -1.671) 9.260 11.941 ( 6.481 -3.741 -5.887) 9.521 12.250 ( -0.618 2.670 -2.116) 3.463 12.322 ( -4.245 6.031 8.041) 10.911 12.717 ( -6.588 -8.380 -1.590) 10.778 13.042 ( -7.340 -12.943 1.097) 14.920 13.451 ( 3.233 -3.699 0.521) 4.941 13.616 ( -0.254 -12.263 -1.232) 12.327 13.895 ( 0.936 2.612 4.052) 4.911 14.300 ( 0.135 -9.074 3.465) 9.714 14.579 ( 0.042 -7.443 1.905) 7.683 14.765 ( 3.881 -12.103 -2.079) 12.879 15.952 ( 10.197 18.317 0.620) 20.973 16.512 ( 2.971 31.968 -5.329) 32.545 16.663 ( -2.361 33.105 2.921) 33.318 17.735 ( 12.364 8.205 2.180) 14.998 17.840 ( -5.252 6.720 -0.195) 8.531 18.039 ( 14.427 1.546 -16.248) 21.784 18.226 ( -6.270 7.174 -0.826) 9.563 18.470 ( -8.234 -0.615 10.807) 13.601 18.615 ( -7.097 13.632 1.893) 15.485 20.125 ( -7.562 1.571 -0.015) 7.724 20.585 ( 0.514 -8.377 0.169) 8.394 20.739 ( -3.522 -16.838 -0.257) 17.205 23.677 ( 1.233 25.632 4.168) 25.997 24.776 ( 2.169 15.622 -3.595) 16.177 25.348 ( 3.670 -15.638 5.270) 16.905 25.793 ( 1.369 -11.185 -3.099) 11.687 27.990 ( -5.479 0.706 -3.460) 6.518 28.380 ( -2.300 -5.120 -1.056) 5.711 ======================= Grid point 247 (122/128) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -0.000 5.563 0.000) 5.563 1.609 ( -0.000 6.427 0.000) 6.427 2.111 ( 0.000 2.951 -0.000) 2.951 2.115 ( -0.000 1.367 0.000) 1.367 2.411 ( -0.000 8.497 -0.000) 8.497 2.590 ( -0.000 19.403 -0.000) 19.403 2.764 ( -0.000 9.369 0.000) 9.369 2.840 ( -0.000 -4.455 0.000) 4.455 3.003 ( -0.000 1.488 0.000) 1.488 3.141 ( -0.000 49.151 0.000) 49.151 3.457 ( -0.000 -8.842 0.000) 8.842 3.728 ( -0.000 19.547 -0.000) 19.547 3.861 ( -0.000 6.303 0.000) 6.303 4.045 ( 0.000 18.014 0.000) 18.014 4.063 ( -0.000 3.992 -0.000) 3.992 4.538 ( -0.000 -1.182 0.000) 1.182 4.642 ( -0.000 10.686 -0.000) 10.686 4.698 ( 0.000 1.701 -0.000) 1.701 5.195 ( -0.000 -8.265 0.000) 8.265 5.628 ( -0.000 -5.778 -0.000) 5.778 5.781 ( 0.000 0.926 -0.000) 0.926 5.870 ( -0.000 -0.203 0.000) 0.203 6.056 ( -0.000 3.850 0.000) 3.850 6.220 ( 0.000 -7.444 0.000) 7.444 6.326 ( -0.000 -0.745 0.000) 0.745 6.418 ( -0.000 -8.314 -0.000) 8.314 7.200 ( 0.000 0.898 0.000) 0.898 7.331 ( -0.000 20.156 0.000) 20.156 7.798 ( -0.000 -4.242 0.000) 4.242 7.927 ( -0.000 5.433 0.000) 5.433 7.967 ( -0.000 6.535 0.000) 6.535 8.341 ( -0.000 12.313 0.000) 12.313 8.623 ( -0.000 -3.228 0.000) 3.228 8.877 ( -0.000 -8.558 0.000) 8.558 8.922 ( 0.000 6.904 0.000) 6.904 9.013 ( -0.000 -9.517 0.000) 9.517 9.293 ( -0.000 18.643 0.000) 18.643 9.435 ( -0.000 3.923 0.000) 3.923 9.886 ( -0.000 -4.794 0.000) 4.794 10.131 ( -0.000 -4.194 0.000) 4.194 10.641 ( -0.000 -5.428 0.000) 5.428 10.707 ( -0.000 -5.426 0.000) 5.426 10.927 ( -0.000 4.105 0.000) 4.105 11.160 ( -0.000 9.561 0.000) 9.561 11.284 ( -0.000 3.592 0.000) 3.592 11.375 ( 0.000 15.050 -0.000) 15.050 11.402 ( -0.000 -3.747 -0.000) 3.747 11.655 ( -0.000 10.654 0.000) 10.654 11.857 ( -0.000 2.644 -0.000) 2.644 12.072 ( -0.000 4.041 0.000) 4.041 12.235 ( -0.000 4.744 0.000) 4.744 12.267 ( -0.000 2.301 0.000) 2.301 12.642 ( -0.000 -7.676 0.000) 7.676 12.969 ( -0.000 -13.121 0.000) 13.121 13.482 ( -0.000 -3.875 0.000) 3.875 13.613 ( -0.000 -12.198 0.000) 12.198 13.905 ( -0.000 2.387 0.000) 2.387 14.304 ( -0.000 -8.824 -0.000) 8.824 14.580 ( -0.000 -7.196 0.000) 7.196 14.800 ( -0.000 -13.365 0.000) 13.365 16.072 ( -0.000 19.132 0.000) 19.132 16.528 ( -0.000 3.803 -0.000) 3.803 16.638 ( -0.000 66.519 0.000) 66.519 17.786 ( -0.000 5.514 0.000) 5.514 17.937 ( -0.000 0.935 0.000) 0.935 18.079 ( 0.000 2.110 0.000) 2.110 18.245 ( 0.000 3.875 -0.000) 3.875 18.331 ( -0.000 -2.365 0.000) 2.365 18.547 ( -0.000 22.119 0.000) 22.119 20.048 ( -0.000 2.358 -0.000) 2.358 20.582 ( -0.000 -5.437 0.000) 5.437 20.711 ( -0.000 -20.794 0.000) 20.794 23.676 ( -0.000 25.349 0.000) 25.349 24.814 ( -0.000 15.076 0.000) 15.076 25.383 ( -0.000 -15.881 0.000) 15.881 25.811 ( -0.000 -11.061 -0.000) 11.061 27.930 ( -0.000 1.586 0.000) 1.586 28.356 ( -0.000 -5.154 0.000) 5.154 ======================= Grid point 253 (123/128) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -0.000 5.541 0.000) 5.541 1.606 ( 0.000 -3.787 0.000) 3.787 2.269 ( -0.000 5.292 0.000) 5.292 2.326 ( 0.000 0.388 0.000) 0.388 2.616 ( 0.000 7.988 0.000) 7.988 2.726 ( -0.000 2.634 0.000) 2.634 2.758 ( -0.000 0.378 0.000) 0.378 2.782 ( -0.000 -7.406 -0.000) 7.406 3.238 ( -0.000 3.442 0.000) 3.442 3.295 ( 0.000 -1.774 0.000) 1.774 3.831 ( 0.000 12.788 -0.000) 12.788 3.863 ( 0.000 24.257 0.000) 24.257 4.076 ( -0.000 -1.033 0.000) 1.033 4.307 ( -0.000 -10.564 0.000) 10.564 4.446 ( 0.000 23.245 0.000) 23.245 4.817 ( -0.000 10.329 0.000) 10.329 4.831 ( 0.000 1.806 0.000) 1.806 4.868 ( -0.000 -10.163 0.000) 10.163 4.965 ( 0.000 21.455 0.000) 21.455 5.043 ( 0.000 1.275 0.000) 1.275 5.169 ( -0.000 -9.381 0.000) 9.381 5.553 ( 0.000 -18.911 0.000) 18.911 5.855 ( -0.000 6.950 0.000) 6.950 5.980 ( 0.000 -9.043 0.000) 9.043 6.651 ( -0.000 3.156 -0.000) 3.156 6.668 ( -0.000 4.538 0.000) 4.538 6.864 ( 0.000 1.589 0.000) 1.589 6.985 ( 0.000 -5.293 0.000) 5.293 7.365 ( -0.000 6.505 0.000) 6.505 7.550 ( 0.000 -11.807 0.000) 11.807 8.009 ( -0.000 -3.716 0.000) 3.716 8.033 ( -0.000 -4.611 0.000) 4.611 8.678 ( 0.000 7.401 0.000) 7.401 8.778 ( -0.000 -1.627 0.000) 1.627 9.268 ( -0.000 -0.171 0.000) 0.171 9.353 ( 0.000 -8.846 0.000) 8.846 9.554 ( -0.000 11.544 -0.000) 11.544 9.654 ( -0.000 8.781 0.000) 8.781 9.822 ( 0.000 -11.212 0.000) 11.212 9.852 ( -0.000 -7.210 -0.000) 7.210 10.515 ( 0.000 3.862 0.000) 3.862 10.651 ( -0.000 -8.975 0.000) 8.975 10.910 ( 0.000 9.697 0.000) 9.697 11.123 ( -0.000 -10.614 -0.000) 10.614 11.157 ( 0.000 5.914 0.000) 5.914 11.251 ( -0.000 -1.269 0.000) 1.269 11.534 ( -0.000 7.139 0.000) 7.139 11.665 ( -0.000 -4.104 0.000) 4.104 12.192 ( 0.000 1.750 0.000) 1.750 12.239 ( 0.000 -1.120 -0.000) 1.120 12.430 ( -0.000 14.998 0.000) 14.998 12.500 ( -0.000 9.544 0.000) 9.544 12.982 ( -0.000 -11.802 0.000) 11.802 13.016 ( 0.000 -12.302 0.000) 12.302 13.618 ( 0.000 11.462 0.000) 11.462 13.678 ( -0.000 0.405 0.000) 0.405 13.812 ( -0.000 -4.530 0.000) 4.530 13.919 ( 0.000 -11.671 0.000) 11.671 14.414 ( -0.000 1.603 0.000) 1.603 14.471 ( -0.000 -4.002 0.000) 4.002 15.796 ( 0.000 20.104 0.000) 20.104 16.145 ( -0.000 -15.250 0.000) 15.250 17.318 ( -0.000 5.380 0.000) 5.380 17.424 ( 0.000 -5.479 0.000) 5.479 17.829 ( 0.000 34.084 0.000) 34.084 18.330 ( -0.000 -17.986 0.000) 17.986 18.513 ( 0.000 13.814 0.000) 13.814 18.686 ( -0.000 -4.020 0.000) 4.020 19.772 ( -0.000 16.075 0.000) 16.075 20.021 ( 0.000 -6.749 0.000) 6.749 20.459 ( 0.000 10.804 0.000) 10.804 20.784 ( -0.000 -19.184 0.000) 19.184 23.373 ( 0.000 53.453 0.000) 53.453 24.253 ( 0.000 -37.922 0.000) 37.922 25.954 ( -0.000 3.615 0.000) 3.615 26.090 ( 0.000 -11.123 0.000) 11.123 28.068 ( -0.000 10.599 0.000) 10.599 28.290 ( -0.000 -11.544 0.000) 11.544 ======================= Grid point 255 (124/128) ======================= q-point: ( 0.10 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -6.844 7.680 -0.550) 10.302 1.558 ( -3.922 -5.400 -1.137) 6.770 2.279 ( -2.083 6.596 -3.219) 7.630 2.365 ( 3.299 -1.491 3.367) 4.944 2.563 ( -2.555 10.122 -4.223) 11.262 2.730 ( -3.174 -7.045 3.663) 8.551 2.849 ( 10.879 2.197 -8.560) 14.016 2.866 ( 10.133 -0.290 1.539) 10.253 3.160 ( -7.110 4.380 -5.311) 9.897 3.222 ( -5.780 -2.227 -5.156) 8.059 3.861 ( 0.160 14.103 -0.838) 14.129 3.874 ( 0.761 12.895 5.952) 14.223 4.029 ( -4.325 6.897 -2.884) 8.637 4.311 ( 0.154 -9.788 -1.420) 9.891 4.397 ( -2.745 20.224 -1.149) 20.441 4.685 ( -9.265 -4.838 0.802) 10.482 4.769 ( -3.250 13.961 2.413) 14.536 4.909 ( 0.522 -3.905 1.719) 4.299 4.984 ( 2.454 22.069 0.287) 22.207 5.154 ( 8.277 -2.320 -0.872) 8.640 5.277 ( 9.116 -7.600 -1.230) 11.932 5.619 ( 5.755 -21.616 0.462) 22.374 5.898 ( 3.729 4.625 3.785) 7.044 5.966 ( -1.158 -5.261 0.074) 5.387 6.630 ( -2.447 3.177 1.897) 4.436 6.658 ( -1.295 2.523 1.409) 3.167 6.869 ( 1.942 7.500 -0.108) 7.748 7.067 ( 6.987 -8.235 3.246) 11.276 7.407 ( 4.433 5.975 -0.885) 7.492 7.569 ( 2.163 -9.828 0.583) 10.080 8.046 ( 3.809 -2.854 -1.995) 5.160 8.083 ( 5.003 -5.400 -1.316) 7.478 8.694 ( 0.732 7.279 -0.130) 7.317 8.763 ( -1.542 1.180 -0.837) 2.114 9.154 ( -8.149 -3.316 -0.828) 8.837 9.184 ( -11.225 -6.238 -1.009) 12.882 9.537 ( -3.536 6.484 -6.572) 9.886 9.651 ( -3.082 -3.196 -3.755) 5.815 9.865 ( 10.217 9.761 4.214) 14.745 10.095 ( 14.284 -12.107 9.927) 21.193 10.501 ( -1.397 2.478 0.655) 2.919 10.601 ( -4.393 -6.398 -2.157) 8.055 10.916 ( 0.566 7.448 -1.414) 7.603 11.096 ( -1.180 -8.005 -3.904) 8.984 11.160 ( 1.039 8.577 0.436) 8.650 11.324 ( 4.137 -5.879 4.308) 8.381 11.527 ( 0.880 9.042 1.419) 9.195 11.687 ( 1.726 -5.473 1.385) 5.904 12.109 ( -5.821 7.263 -7.012) 11.654 12.237 ( -0.500 -3.417 -5.065) 6.130 12.392 ( -3.854 18.114 -0.541) 18.528 12.594 ( 6.928 3.034 4.146) 8.625 12.909 ( -7.041 -8.875 0.996) 11.373 13.025 ( 0.377 -13.480 4.883) 14.342 13.495 ( -7.918 5.937 5.402) 11.275 13.632 ( -8.267 -7.819 0.632) 11.397 13.836 ( 5.083 6.521 -0.212) 8.271 14.013 ( 5.782 -10.578 1.046) 12.101 14.408 ( -0.233 1.379 -0.316) 1.434 14.466 ( -0.209 -4.375 1.353) 4.585 15.831 ( 3.498 19.756 0.400) 20.067 16.177 ( 3.157 -15.371 -0.652) 15.705 17.310 ( -1.106 7.265 -3.245) 8.033 17.421 ( 1.552 -3.706 -4.483) 6.020 17.859 ( 2.767 32.441 1.993) 32.619 18.320 ( -0.911 -13.265 -0.302) 13.300 18.495 ( -2.169 11.070 1.901) 11.439 18.666 ( -2.209 -4.635 2.030) 5.522 19.562 ( -14.517 24.893 -2.974) 28.970 20.031 ( -1.833 -20.274 -1.100) 20.387 20.555 ( 6.429 9.500 1.814) 11.613 20.800 ( 0.595 -14.846 -0.165) 14.859 23.517 ( 13.675 49.758 11.304) 52.827 24.343 ( 8.576 -35.701 8.079) 37.595 25.844 ( -12.569 1.108 -8.310) 15.108 25.909 ( -13.891 -5.469 -10.119) 18.035 28.124 ( 4.415 7.612 -0.498) 8.814 28.307 ( 1.371 -10.277 -0.641) 10.388 ======================= Grid point 256 (125/128) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -1.670 10.127 -2.780) 10.634 1.497 ( -1.545 -6.758 -2.400) 7.336 2.152 ( -8.302 13.239 -0.259) 15.629 2.381 ( -2.861 -9.430 1.829) 10.023 2.591 ( 4.948 7.503 -6.194) 10.915 2.697 ( 0.493 -3.148 -1.109) 3.373 2.974 ( -7.335 3.495 -1.499) 8.262 3.027 ( -0.170 -0.711 0.093) 0.737 3.153 ( 7.267 0.866 -11.066) 13.267 3.159 ( 14.034 1.449 2.424) 14.316 3.788 ( -7.717 5.280 -0.414) 9.360 3.814 ( -7.447 1.725 0.818) 7.688 3.969 ( -0.597 26.307 -3.472) 26.542 4.310 ( 0.620 -3.367 -4.924) 5.997 4.395 ( 1.422 5.408 -0.131) 5.594 4.533 ( -6.112 -2.480 -0.439) 6.610 4.723 ( -2.096 18.788 4.301) 19.388 4.911 ( 0.261 -3.061 3.342) 4.539 5.040 ( 2.980 20.014 1.442) 20.286 5.309 ( 7.204 -6.583 -1.814) 9.926 5.461 ( 10.053 -5.219 -2.979) 11.712 5.711 ( 2.440 -23.998 -1.348) 24.159 5.953 ( 0.524 1.401 2.021) 2.514 5.976 ( 3.159 -0.453 5.049) 5.973 6.559 ( -5.074 4.107 2.666) 7.051 6.614 ( -3.404 -1.052 1.047) 3.714 6.958 ( 6.826 13.641 2.901) 15.527 7.217 ( 7.537 -9.900 5.084) 13.441 7.528 ( 7.855 4.134 -1.988) 9.096 7.642 ( 5.522 -5.763 -0.057) 7.982 8.139 ( 5.559 -0.432 -3.039) 6.351 8.208 ( 7.800 -5.945 -1.589) 9.935 8.624 ( -7.058 10.060 -2.839) 12.613 8.762 ( 0.580 -0.901 -2.715) 2.919 8.980 ( -7.158 -2.810 0.013) 7.690 9.071 ( -2.620 -8.876 0.377) 9.262 9.451 ( -3.584 8.175 -3.039) 9.429 9.590 ( -2.496 -5.773 -1.344) 6.432 10.028 ( 4.057 16.358 6.415) 18.033 10.305 ( 4.298 -11.652 10.951) 16.557 10.473 ( -1.152 0.045 0.436) 1.233 10.526 ( -1.098 -4.870 -2.777) 5.712 10.938 ( 2.161 4.394 -3.177) 5.837 11.078 ( -0.566 -8.606 -3.604) 9.347 11.214 ( 4.399 12.090 -0.930) 12.899 11.362 ( 1.126 0.328 0.775) 1.406 11.610 ( 6.132 2.309 4.494) 7.945 11.723 ( 1.755 -6.196 1.957) 6.731 12.002 ( -4.089 12.513 -8.384) 15.607 12.212 ( -1.891 -4.763 -4.386) 6.745 12.289 ( -6.136 19.088 -2.914) 20.261 12.681 ( -2.066 -15.766 -2.096) 16.038 12.745 ( -6.739 9.164 6.212) 12.960 13.029 ( -1.378 -15.760 7.575) 17.540 13.370 ( -4.611 3.654 2.885) 6.552 13.483 ( -5.613 -8.132 -0.585) 9.899 13.918 ( 2.734 7.486 4.212) 9.014 14.092 ( 1.914 -10.239 4.887) 11.506 14.427 ( 2.512 0.408 -0.280) 2.560 14.479 ( 1.645 -4.673 0.137) 4.956 15.927 ( 6.457 18.325 0.429) 19.434 16.256 ( 5.068 -15.250 -0.624) 16.082 17.300 ( 1.871 16.586 -5.586) 17.601 17.504 ( 7.386 -6.295 -8.834) 13.123 17.923 ( 3.294 28.606 2.093) 28.871 18.282 ( -3.670 -2.878 -0.000) 4.664 18.439 ( -3.416 4.645 3.434) 6.711 18.605 ( -4.399 -6.690 4.358) 9.116 19.326 ( -9.208 32.227 -2.856) 33.638 19.980 ( -2.459 -30.475 -1.516) 30.612 20.605 ( -1.837 6.783 1.406) 7.166 20.771 ( -3.946 -10.157 -1.002) 10.942 23.856 ( 18.389 41.654 17.338) 48.722 24.566 ( 12.744 -31.036 12.764) 35.897 25.476 ( -19.349 10.194 -16.009) 27.104 25.685 ( -9.864 -10.410 -10.376) 17.701 28.180 ( 0.752 4.857 -2.175) 5.375 28.321 ( -0.230 -8.658 -1.558) 8.800 ======================= Grid point 257 (126/128) ======================= q-point: ( 0.30 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 6.824 8.229 -3.142) 11.143 1.504 ( 2.332 -3.965 -1.458) 4.826 2.061 ( -0.097 14.422 -0.754) 14.442 2.307 ( -3.348 -10.740 1.152) 11.308 2.650 ( -4.621 1.770 -5.121) 7.121 2.682 ( -0.190 -1.182 -5.260) 5.394 2.859 ( -1.665 6.890 -1.471) 7.240 2.981 ( 0.962 -3.629 3.520) 5.146 3.291 ( -0.379 6.804 -0.469) 6.830 3.365 ( 0.241 -0.066 7.252) 7.256 3.681 ( 1.333 2.608 -5.300) 6.055 3.703 ( 1.898 0.418 -2.545) 3.202 3.967 ( 0.001 28.620 -2.742) 28.751 4.320 ( 0.278 0.259 -7.969) 7.978 4.397 ( -1.596 -2.754 1.484) 3.512 4.466 ( -0.712 -2.345 -4.139) 4.810 4.689 ( -1.291 22.466 5.197) 23.095 4.930 ( 1.151 -4.256 1.951) 4.821 5.082 ( 0.203 15.313 3.611) 15.734 5.409 ( 3.129 -10.081 -1.086) 10.611 5.654 ( 9.899 -4.141 -3.684) 11.345 5.719 ( 0.393 -12.418 -4.067) 13.073 5.981 ( 1.926 -0.093 2.840) 3.433 6.033 ( 2.451 -5.278 4.434) 7.316 6.448 ( -6.487 5.879 3.160) 9.307 6.533 ( -4.988 -3.049 0.447) 5.863 7.106 ( 7.548 13.247 4.495) 15.895 7.344 ( 4.982 -8.945 4.698) 11.265 7.673 ( 6.636 2.896 -1.890) 7.483 7.783 ( 8.811 -4.078 -1.396) 9.809 8.230 ( 3.248 7.077 -3.638) 8.595 8.357 ( 7.020 -3.678 -0.964) 7.984 8.498 ( -3.969 8.362 -3.203) 9.795 8.719 ( -4.115 -11.158 -4.849) 12.843 8.922 ( -0.617 1.100 2.609) 2.898 9.021 ( -2.871 -6.234 0.307) 6.871 9.426 ( 1.230 8.130 -0.449) 8.235 9.574 ( 1.101 -6.240 3.610) 7.292 10.004 ( -5.872 19.300 3.955) 20.558 10.275 ( -6.061 -8.371 6.280) 12.094 10.483 ( 2.364 -0.037 1.110) 2.612 10.559 ( 2.391 -7.487 -0.295) 7.865 10.982 ( 1.890 2.306 0.650) 3.051 11.081 ( 1.852 -5.656 -0.917) 6.022 11.284 ( 2.758 10.577 -5.633) 12.297 11.429 ( 5.071 2.608 -0.224) 5.707 11.690 ( 0.350 -1.193 0.831) 1.496 11.761 ( 1.975 -3.169 4.232) 5.644 11.963 ( 1.653 15.138 -7.986) 17.195 12.122 ( -6.653 15.923 0.658) 17.270 12.221 ( 0.067 -4.640 -8.146) 9.375 12.494 ( -10.772 -12.422 1.133) 16.481 12.701 ( -3.558 6.317 3.159) 7.909 12.945 ( -7.573 -14.811 6.625) 17.905 13.353 ( 1.965 1.548 0.227) 2.511 13.428 ( -0.739 -7.001 -1.706) 7.243 13.953 ( 0.810 6.207 6.591) 9.090 14.108 ( -0.164 -9.624 6.555) 11.645 14.481 ( 2.299 -0.566 -0.007) 2.368 14.529 ( 3.330 -5.099 -1.498) 6.272 16.077 ( 8.993 16.326 0.032) 18.639 16.368 ( 6.461 -13.531 -0.592) 15.006 17.393 ( 8.057 24.338 -7.155) 26.617 17.668 ( 9.761 -7.281 -8.144) 14.649 17.976 ( 1.880 19.145 -1.607) 19.304 18.179 ( -6.316 5.781 2.162) 8.831 18.364 ( -5.238 0.300 1.831) 5.557 18.517 ( -4.832 -7.276 7.002) 11.194 19.200 ( -4.077 37.056 -1.713) 37.319 19.941 ( -1.756 -33.856 -0.943) 33.915 20.519 ( -5.862 5.224 1.065) 7.924 20.656 ( -7.210 -8.443 -1.369) 11.187 24.170 ( 11.075 35.709 14.608) 40.139 24.801 ( 9.229 -28.262 12.031) 32.073 25.183 ( -8.305 18.692 -12.412) 23.925 25.533 ( -4.259 -16.597 -8.791) 19.259 28.146 ( -3.629 5.316 -3.107) 7.147 28.291 ( -2.615 -8.606 -2.068) 9.229 ======================= Grid point 258 (127/128) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 9.646 3.469 -0.514) 10.264 1.579 ( 4.980 0.853 -0.058) 5.053 2.107 ( 2.667 9.070 -2.357) 9.744 2.250 ( -4.631 -6.116 -2.249) 7.994 2.530 ( -1.966 5.660 0.625) 6.024 2.652 ( -0.188 -5.725 -1.812) 6.008 2.907 ( 3.514 8.592 -1.911) 9.478 3.012 ( -1.429 -0.482 -0.438) 1.570 3.115 ( -13.688 5.925 0.995) 14.948 3.254 ( -4.883 -7.636 6.618) 11.223 3.804 ( 8.119 5.710 -2.060) 10.138 3.857 ( 8.192 -0.303 1.369) 8.311 3.959 ( -0.493 28.654 -2.728) 28.787 4.292 ( -2.030 9.739 -6.465) 11.864 4.361 ( -2.001 -5.340 0.671) 5.742 4.471 ( 1.115 -4.133 -5.211) 6.743 4.717 ( 4.115 18.358 3.203) 19.084 4.948 ( 0.231 2.012 -0.504) 2.087 5.029 ( -5.413 4.575 4.905) 8.620 5.417 ( -1.644 -17.609 0.564) 17.695 5.764 ( 4.103 0.544 -4.555) 6.154 5.804 ( 5.241 -2.568 -2.079) 6.196 6.033 ( 3.412 -1.956 1.330) 4.152 6.083 ( 2.559 -6.121 2.373) 7.046 6.334 ( -4.837 5.992 2.562) 8.116 6.427 ( -6.046 -3.669 0.555) 7.094 7.233 ( 4.930 9.672 3.240) 11.329 7.413 ( 1.949 -7.074 2.533) 7.762 7.774 ( 4.039 5.349 -1.194) 6.808 7.932 ( 5.776 -7.099 -1.146) 9.223 8.227 ( -2.101 18.735 -3.491) 19.173 8.450 ( 4.089 3.385 -4.066) 6.686 8.515 ( 3.125 -1.936 2.347) 4.361 8.642 ( -3.032 -14.550 -2.550) 15.080 8.893 ( -2.234 -0.300 2.538) 3.394 8.973 ( -2.430 -5.966 -0.751) 6.485 9.493 ( 5.452 9.138 0.504) 10.653 9.633 ( 3.523 -3.598 5.281) 7.296 9.875 ( -6.125 16.189 0.392) 17.314 10.133 ( -8.250 -8.725 1.574) 12.110 10.538 ( 2.513 -0.687 1.278) 2.901 10.588 ( 0.689 -5.625 0.313) 5.676 11.004 ( 0.606 5.184 2.046) 5.606 11.152 ( 4.556 -7.675 3.285) 9.511 11.339 ( 4.068 10.110 -7.172) 13.046 11.482 ( -0.184 2.046 -2.277) 3.067 11.632 ( -5.440 6.751 0.531) 8.686 11.794 ( 1.491 -3.998 2.901) 5.160 11.981 ( -3.919 14.126 0.342) 14.664 12.077 ( 5.010 10.058 -5.688) 12.594 12.252 ( 3.342 -3.054 -6.506) 7.926 12.348 ( -3.052 -10.439 1.781) 11.021 12.592 ( -7.963 4.423 2.894) 9.558 12.799 ( -6.937 -12.668 4.303) 15.071 13.398 ( 1.983 -1.339 0.225) 2.404 13.426 ( 0.301 -5.386 -1.849) 5.702 13.968 ( 0.302 5.193 4.638) 6.969 14.112 ( 0.153 -9.547 4.459) 10.538 14.510 ( 0.846 0.349 -0.198) 0.936 14.582 ( 1.905 -6.789 -1.188) 7.151 16.255 ( 8.677 13.853 -0.208) 16.347 16.479 ( 4.301 -8.987 -0.664) 9.985 17.567 ( 9.569 29.009 -5.625) 31.060 17.834 ( 7.293 -2.829 -1.803) 8.027 17.954 ( -4.819 7.639 -3.113) 9.554 18.109 ( -0.535 -2.955 -1.978) 3.596 18.256 ( -3.913 7.831 -0.197) 8.757 18.425 ( -5.923 -5.406 8.492) 11.680 19.151 ( -1.277 39.439 -0.465) 39.462 19.905 ( -1.799 -31.101 -0.403) 31.155 20.425 ( -3.381 0.508 0.846) 3.522 20.524 ( -5.637 -7.360 -0.963) 9.320 24.282 ( 0.979 34.864 5.216) 35.265 24.907 ( 1.694 -26.640 5.212) 27.198 25.144 ( 2.692 18.107 -2.843) 18.526 25.511 ( 1.585 -17.770 -3.422) 18.166 28.063 ( -3.889 6.983 -2.335) 8.327 28.233 ( -2.698 -9.449 -1.520) 9.944 ======================= Grid point 259 (128/128) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -0.000 3.855 0.000) 3.855 1.677 ( -0.000 0.453 0.000) 0.453 2.139 ( -0.000 0.991 0.000) 0.991 2.145 ( 0.000 0.575 -0.000) 0.575 2.559 ( -0.000 7.972 -0.000) 7.972 2.715 ( -0.000 -7.818 0.000) 7.818 2.854 ( -0.000 8.693 0.000) 8.693 2.962 ( -0.000 -0.748 0.000) 0.748 2.984 ( -0.000 9.736 -0.000) 9.736 3.235 ( -0.000 -12.968 0.000) 12.968 3.907 ( 0.000 3.308 0.000) 3.308 3.927 ( -0.000 8.344 -0.000) 8.344 3.948 ( -0.000 24.066 -0.000) 24.066 4.266 ( -0.000 14.946 0.000) 14.946 4.336 ( -0.000 -5.997 0.000) 5.997 4.482 ( -0.000 -4.658 0.000) 4.658 4.812 ( -0.000 7.573 -0.000) 7.573 4.891 ( -0.000 25.111 0.000) 25.111 4.984 ( -0.000 -11.318 0.000) 11.318 5.393 ( -0.000 -20.673 0.000) 20.673 5.812 ( -0.000 2.088 -0.000) 2.088 5.849 ( -0.000 -1.538 0.000) 1.538 6.089 ( 0.000 -2.479 0.000) 2.479 6.106 ( 0.000 -1.043 0.000) 1.043 6.315 ( 0.000 -1.118 -0.000) 1.118 6.324 ( -0.000 -0.504 0.000) 0.504 7.285 ( -0.000 7.328 0.000) 7.328 7.430 ( -0.000 -5.588 0.000) 5.588 7.815 ( -0.000 6.390 0.000) 6.390 7.985 ( -0.000 -7.068 -0.000) 7.068 8.202 ( -0.000 19.951 0.000) 19.951 8.513 ( 0.000 0.145 -0.000) 0.145 8.530 ( -0.000 1.491 0.000) 1.491 8.611 ( -0.000 -13.371 -0.000) 13.371 8.878 ( -0.000 -3.058 0.000) 3.058 8.935 ( -0.000 -5.854 0.000) 5.854 9.596 ( -0.000 8.368 0.000) 8.368 9.635 ( -0.000 10.119 0.000) 10.119 9.834 ( -0.000 3.361 0.000) 3.361 10.023 ( -0.000 -8.909 0.000) 8.909 10.565 ( -0.000 -1.672 0.000) 1.672 10.592 ( -0.000 -4.432 0.000) 4.432 11.011 ( -0.000 7.614 0.000) 7.614 11.211 ( -0.000 -11.069 0.000) 11.069 11.406 ( -0.000 5.181 0.000) 5.181 11.455 ( -0.000 7.826 -0.000) 7.826 11.550 ( 0.000 11.696 -0.000) 11.696 11.818 ( -0.000 -8.198 -0.000) 8.198 11.926 ( -0.000 15.877 0.000) 15.877 12.130 ( -0.000 -1.232 0.000) 1.232 12.295 ( -0.000 1.505 0.000) 1.505 12.406 ( -0.000 -13.489 0.000) 13.489 12.433 ( 0.000 14.541 -0.000) 14.541 12.726 ( -0.000 -13.651 0.000) 13.651 13.418 ( -0.000 -2.259 0.000) 2.259 13.429 ( -0.000 -4.785 -0.000) 4.785 13.973 ( -0.000 4.987 0.000) 4.987 14.116 ( -0.000 -9.644 0.000) 9.644 14.517 ( -0.000 0.781 0.000) 0.781 14.599 ( -0.000 -7.439 0.000) 7.439 16.354 ( -0.000 11.613 0.000) 11.613 16.516 ( -0.000 -4.881 0.000) 4.881 17.688 ( -0.000 34.463 0.000) 34.463 17.866 ( 0.000 2.698 0.000) 2.698 17.927 ( -0.000 -0.803 0.000) 0.803 18.070 ( 0.000 -6.446 0.000) 6.446 18.302 ( 0.001 0.323 -0.001) 0.323 18.305 ( -0.001 1.484 0.001) 1.484 19.140 ( -0.000 39.970 0.000) 39.970 19.884 ( -0.000 -28.331 0.000) 28.331 20.395 ( -0.000 -3.401 0.000) 3.401 20.465 ( -0.000 -6.307 0.000) 6.307 24.283 ( -0.000 35.411 0.000) 35.411 24.919 ( -0.000 -26.637 0.000) 26.637 25.182 ( -0.000 16.664 0.000) 16.664 25.535 ( -0.000 -17.294 0.000) 17.294 28.021 ( -0.000 7.824 0.000) 7.824 28.204 ( -0.000 -9.925 0.000) 9.925 =================== 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 3/32760 10.0 179.649 201.060 118.471 0.000 51.921 0.000 3/32760 20.0 69.603 88.393 52.109 0.000 15.469 0.000 3/32760 30.0 40.055 63.143 33.637 0.000 7.361 0.000 3/32760 40.0 27.432 48.329 24.619 0.000 4.407 0.000 3/32760 50.0 20.613 38.680 19.203 0.000 2.978 0.000 3/32760 60.0 16.392 31.975 15.599 0.000 2.172 0.000 3/32760 70.0 13.533 27.064 13.034 0.000 1.671 0.000 3/32760 80.0 11.474 23.327 11.122 0.000 1.338 0.000 3/32760 90.0 9.923 20.405 9.650 0.000 1.104 0.000 3/32760 100.0 8.718 18.072 8.488 0.000 0.935 0.000 3/32760 110.0 7.758 16.177 7.554 0.000 0.807 0.000 3/32760 120.0 6.978 14.617 6.790 0.000 0.708 0.000 3/32760 130.0 6.335 13.316 6.157 0.000 0.629 0.000 3/32760 140.0 5.796 12.219 5.626 0.000 0.566 0.000 3/32760 150.0 5.341 11.285 5.176 0.000 0.514 0.000 3/32760 160.0 4.951 10.482 4.792 0.000 0.471 0.000 3/32760 170.0 4.615 9.785 4.459 0.000 0.435 0.000 3/32760 180.0 4.322 9.176 4.170 0.000 0.404 0.000 3/32760 190.0 4.065 8.641 3.917 0.000 0.378 0.000 3/32760 200.0 3.838 8.166 3.693 0.000 0.355 0.000 3/32760 210.0 3.636 7.742 3.494 0.000 0.336 0.000 3/32760 220.0 3.455 7.362 3.317 0.000 0.319 0.000 3/32760 230.0 3.292 7.019 3.157 0.000 0.304 0.000 3/32760 240.0 3.145 6.708 3.013 0.000 0.290 0.000 3/32760 250.0 3.011 6.424 2.882 0.000 0.278 0.000 3/32760 260.0 2.889 6.165 2.763 0.000 0.268 0.000 3/32760 270.0 2.777 5.927 2.654 0.000 0.258 0.000 3/32760 280.0 2.674 5.708 2.553 0.000 0.249 0.000 3/32760 290.0 2.579 5.505 2.461 0.000 0.241 0.000 3/32760 300.0 2.491 5.316 2.375 0.000 0.234 0.000 3/32760 310.0 2.409 5.141 2.295 0.000 0.227 0.000 3/32760 320.0 2.333 4.977 2.221 0.000 0.221 0.000 3/32760 330.0 2.261 4.824 2.152 0.000 0.215 0.000 3/32760 340.0 2.194 4.681 2.087 0.000 0.209 0.000 3/32760 350.0 2.131 4.546 2.027 0.000 0.204 0.000 3/32760 360.0 2.072 4.419 1.970 0.000 0.199 0.000 3/32760 370.0 2.016 4.299 1.916 0.000 0.195 0.000 3/32760 380.0 1.964 4.185 1.865 0.000 0.190 0.000 3/32760 390.0 1.914 4.078 1.817 0.000 0.186 0.000 3/32760 400.0 1.866 3.976 1.771 0.000 0.182 0.000 3/32760 410.0 1.821 3.879 1.728 0.000 0.179 0.000 3/32760 420.0 1.779 3.787 1.687 0.000 0.175 0.000 3/32760 430.0 1.738 3.699 1.648 0.000 0.172 0.000 3/32760 440.0 1.699 3.616 1.611 0.000 0.169 0.000 3/32760 450.0 1.662 3.536 1.575 0.000 0.166 0.000 3/32760 460.0 1.626 3.460 1.541 0.000 0.163 0.000 3/32760 470.0 1.592 3.386 1.509 0.000 0.160 0.000 3/32760 480.0 1.560 3.316 1.478 0.000 0.157 0.000 3/32760 490.0 1.529 3.249 1.448 0.000 0.154 0.000 3/32760 500.0 1.499 3.185 1.419 0.000 0.152 0.000 3/32760 510.0 1.470 3.123 1.392 0.000 0.149 0.000 3/32760 520.0 1.442 3.063 1.365 0.000 0.147 0.000 3/32760 530.0 1.415 3.006 1.340 0.000 0.144 0.000 3/32760 540.0 1.390 2.951 1.315 0.000 0.142 0.000 3/32760 550.0 1.365 2.898 1.292 0.000 0.140 0.000 3/32760 560.0 1.341 2.847 1.269 0.000 0.138 0.000 3/32760 570.0 1.318 2.797 1.247 0.000 0.136 0.000 3/32760 580.0 1.296 2.749 1.226 0.000 0.134 0.000 3/32760 590.0 1.274 2.703 1.205 0.000 0.132 0.000 3/32760 600.0 1.254 2.659 1.186 0.000 0.130 0.000 3/32760 610.0 1.233 2.616 1.166 0.000 0.128 0.000 3/32760 620.0 1.214 2.574 1.148 0.000 0.126 0.000 3/32760 630.0 1.195 2.533 1.130 0.000 0.125 0.000 3/32760 640.0 1.177 2.494 1.113 0.000 0.123 0.000 3/32760 650.0 1.159 2.456 1.096 0.000 0.121 0.000 3/32760 660.0 1.142 2.419 1.079 0.000 0.120 0.000 3/32760 670.0 1.125 2.384 1.063 0.000 0.118 0.000 3/32760 680.0 1.109 2.349 1.048 0.000 0.117 0.000 3/32760 690.0 1.093 2.315 1.033 0.000 0.115 0.000 3/32760 700.0 1.078 2.282 1.019 0.000 0.114 0.000 3/32760 710.0 1.063 2.251 1.004 0.000 0.112 0.000 3/32760 720.0 1.048 2.220 0.991 0.000 0.111 0.000 3/32760 730.0 1.034 2.189 0.977 0.000 0.110 0.000 3/32760 740.0 1.021 2.160 0.964 0.000 0.108 0.000 3/32760 750.0 1.007 2.132 0.952 0.000 0.107 0.000 3/32760 760.0 0.994 2.104 0.939 0.000 0.106 0.000 3/32760 770.0 0.981 2.077 0.927 0.000 0.104 0.000 3/32760 780.0 0.969 2.050 0.915 0.000 0.103 0.000 3/32760 790.0 0.957 2.025 0.904 0.000 0.102 0.000 3/32760 800.0 0.945 1.999 0.893 0.000 0.101 0.000 3/32760 810.0 0.934 1.975 0.882 0.000 0.100 0.000 3/32760 820.0 0.923 1.951 0.871 0.000 0.099 0.000 3/32760 830.0 0.912 1.928 0.861 0.000 0.098 0.000 3/32760 840.0 0.901 1.905 0.851 0.000 0.097 0.000 3/32760 850.0 0.890 1.883 0.841 0.000 0.096 0.000 3/32760 860.0 0.880 1.861 0.831 0.000 0.095 0.000 3/32760 870.0 0.870 1.840 0.822 0.000 0.094 0.000 3/32760 880.0 0.861 1.819 0.813 0.000 0.093 0.000 3/32760 890.0 0.851 1.799 0.804 0.000 0.092 0.000 3/32760 900.0 0.842 1.779 0.795 0.000 0.091 0.000 3/32760 910.0 0.833 1.760 0.786 0.000 0.090 0.000 3/32760 920.0 0.824 1.741 0.778 0.000 0.089 0.000 3/32760 930.0 0.815 1.722 0.769 0.000 0.088 0.000 3/32760 940.0 0.806 1.704 0.761 0.000 0.087 0.000 3/32760 950.0 0.798 1.686 0.753 0.000 0.086 0.000 3/32760 960.0 0.790 1.669 0.746 0.000 0.085 0.000 3/32760 970.0 0.782 1.651 0.738 0.000 0.085 0.000 3/32760 980.0 0.774 1.635 0.731 0.000 0.084 0.000 3/32760 990.0 0.766 1.618 0.723 0.000 0.083 0.000 3/32760 1000.0 0.759 1.602 0.716 0.000 0.082 0.000 3/32760 Thermal conductivity related properties were written into "kappa-m1076.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:12:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|