----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:53:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.994681910269574 0.000000000000000 0.000000000000000 b 0.000000000000000 5.317242090000001 0.000000000000000 c -5.703640229911760 0.000000000000000 9.572234375104447 Atomic positions (fractional): *1 La 0.77628274078920 0.79054954522108 0.66407058839251 138.905 2 La 0.22371725921080 0.20945045477892 0.33592941160749 138.905 3 La 0.77628274078920 0.70945045477892 0.16407058839251 138.905 4 La 0.22371725921080 0.29054954522108 0.83592941160749 138.905 *5 Re 0.09434242452208 0.77984830855834 0.50667460853626 186.207 6 Re 0.09434242452208 0.72015169144166 0.00667460853626 186.207 7 Re 0.90565757547792 0.27984830855834 0.99332539146374 186.207 8 Re 0.90565757547792 0.22015169144165 0.49332539146374 186.207 *9 N 0.63847752321033 0.19295970865005 0.47014704732018 14.007 *10 N 0.03492587083432 0.97922522882506 0.11922590036451 14.007 11 N 0.36152247678967 0.69295970865005 0.02985295267982 14.007 *12 N 0.09141948045277 0.99626877549991 0.65275930071607 14.007 13 N 0.63847752321033 0.30704029134995 0.97014704732018 14.007 14 N 0.90858051954723 0.00373122450009 0.34724069928393 14.007 15 N 0.90858051954723 0.49626877549991 0.84724069928393 14.007 16 N 0.96507412916568 0.02077477117494 0.88077409963549 14.007 17 N 0.09141948045277 0.50373122450009 0.15275930071607 14.007 18 N 0.36152247678967 0.80704029134995 0.52985295267982 14.007 19 N 0.03492587083432 0.52077477117494 0.61922590036451 14.007 20 N 0.96507412916568 0.47922522882506 0.38077409963549 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.994681910269574 0.000000000000000 0.000000000000000 b 0.000000000000000 5.317242090000001 0.000000000000000 c -5.703640229911760 0.000000000000000 9.572234375104447 Atomic positions (fractional): *1 La 0.77628274078920 0.79054954522108 0.66407058839251 138.905 > 1 2 La 0.22371725921080 0.20945045477892 0.33592941160749 138.905 > 2 3 La 0.77628274078920 0.70945045477892 0.16407058839251 138.905 > 3 4 La 0.22371725921080 0.29054954522108 0.83592941160749 138.905 > 4 *5 Re 0.09434242452208 0.77984830855834 0.50667460853626 186.207 > 5 6 Re 0.09434242452208 0.72015169144166 0.00667460853626 186.207 > 6 7 Re 0.90565757547792 0.27984830855835 0.99332539146374 186.207 > 7 8 Re 0.90565757547792 0.22015169144166 0.49332539146374 186.207 > 8 *9 N 0.63847752321033 0.19295970865005 0.47014704732018 14.007 > 9 *10 N 0.03492587083432 0.97922522882506 0.11922590036451 14.007 > 10 11 N 0.36152247678967 0.69295970865005 0.02985295267982 14.007 > 11 *12 N 0.09141948045277 0.99626877549991 0.65275930071607 14.007 > 12 13 N 0.63847752321033 0.30704029134995 0.97014704732018 14.007 > 13 14 N 0.90858051954723 0.00373122450009 0.34724069928393 14.007 > 14 15 N 0.90858051954723 0.49626877549991 0.84724069928393 14.007 > 15 16 N 0.96507412916568 0.02077477117494 0.88077409963549 14.007 > 16 17 N 0.09141948045277 0.50373122450009 0.15275930071607 14.007 > 17 18 N 0.36152247678967 0.80704029134995 0.52985295267982 14.007 > 18 19 N 0.03492587083432 0.52077477117494 0.61922590036451 14.007 > 19 20 N 0.96507412916568 0.47922522882506 0.38077409963549 14.007 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.989363820539149 0.000000000000000 0.000000000000000 b 0.000000000000000 15.951726270000002 0.000000000000000 c -5.703640229911760 0.000000000000000 9.572234375104447 Atomic positions (fractional): *1 La 0.38814137039460 0.26351651507369 0.66407058839251 138.905 > 1 2 La 0.88814137039460 0.26351651507369 0.66407058839251 138.905 > 1 3 La 0.38814137039460 0.59684984840703 0.66407058839251 138.905 > 1 4 La 0.88814137039460 0.59684984840703 0.66407058839251 138.905 > 1 5 La 0.38814137039460 0.93018318174036 0.66407058839251 138.905 > 1 6 La 0.88814137039460 0.93018318174036 0.66407058839251 138.905 > 1 7 La 0.11185862960540 0.06981681825964 0.33592941160749 138.905 > 2 8 La 0.61185862960540 0.06981681825964 0.33592941160749 138.905 > 2 9 La 0.11185862960540 0.40315015159297 0.33592941160749 138.905 > 2 10 La 0.61185862960540 0.40315015159297 0.33592941160749 138.905 > 2 11 La 0.11185862960540 0.73648348492631 0.33592941160749 138.905 > 2 12 La 0.61185862960540 0.73648348492631 0.33592941160749 138.905 > 2 13 La 0.38814137039460 0.23648348492631 0.16407058839251 138.905 > 3 14 La 0.88814137039460 0.23648348492631 0.16407058839251 138.905 > 3 15 La 0.38814137039460 0.56981681825964 0.16407058839251 138.905 > 3 16 La 0.88814137039460 0.56981681825964 0.16407058839251 138.905 > 3 17 La 0.38814137039460 0.90315015159297 0.16407058839251 138.905 > 3 18 La 0.88814137039460 0.90315015159297 0.16407058839251 138.905 > 3 19 La 0.11185862960540 0.09684984840703 0.83592941160749 138.905 > 4 20 La 0.61185862960540 0.09684984840703 0.83592941160749 138.905 > 4 21 La 0.11185862960540 0.43018318174036 0.83592941160749 138.905 > 4 22 La 0.61185862960540 0.43018318174036 0.83592941160749 138.905 > 4 23 La 0.11185862960540 0.76351651507369 0.83592941160749 138.905 > 4 24 La 0.61185862960540 0.76351651507369 0.83592941160749 138.905 > 4 *25 Re 0.04717121226104 0.25994943618611 0.50667460853626 186.207 > 5 26 Re 0.54717121226104 0.25994943618611 0.50667460853626 186.207 > 5 27 Re 0.04717121226104 0.59328276951945 0.50667460853626 186.207 > 5 28 Re 0.54717121226104 0.59328276951945 0.50667460853626 186.207 > 5 29 Re 0.04717121226104 0.92661610285278 0.50667460853626 186.207 > 5 30 Re 0.54717121226104 0.92661610285278 0.50667460853626 186.207 > 5 31 Re 0.04717121226104 0.24005056381389 0.00667460853626 186.207 > 6 32 Re 0.54717121226104 0.24005056381389 0.00667460853626 186.207 > 6 33 Re 0.04717121226104 0.57338389714722 0.00667460853626 186.207 > 6 34 Re 0.54717121226104 0.57338389714722 0.00667460853626 186.207 > 6 35 Re 0.04717121226104 0.90671723048055 0.00667460853626 186.207 > 6 36 Re 0.54717121226104 0.90671723048055 0.00667460853626 186.207 > 6 37 Re 0.45282878773896 0.09328276951945 0.99332539146374 186.207 > 7 38 Re 0.95282878773896 0.09328276951945 0.99332539146374 186.207 > 7 39 Re 0.45282878773896 0.42661610285278 0.99332539146374 186.207 > 7 40 Re 0.95282878773896 0.42661610285278 0.99332539146374 186.207 > 7 41 Re 0.45282878773896 0.75994943618611 0.99332539146374 186.207 > 7 42 Re 0.95282878773896 0.75994943618611 0.99332539146374 186.207 > 7 43 Re 0.45282878773896 0.07338389714722 0.49332539146374 186.207 > 8 44 Re 0.95282878773896 0.07338389714722 0.49332539146374 186.207 > 8 45 Re 0.45282878773896 0.40671723048055 0.49332539146374 186.207 > 8 46 Re 0.95282878773896 0.40671723048055 0.49332539146374 186.207 > 8 47 Re 0.45282878773896 0.74005056381389 0.49332539146374 186.207 > 8 48 Re 0.95282878773896 0.74005056381389 0.49332539146374 186.207 > 8 *49 N 0.31923876160517 0.06431990288335 0.47014704732018 14.007 > 9 50 N 0.81923876160517 0.06431990288335 0.47014704732018 14.007 > 9 51 N 0.31923876160517 0.39765323621668 0.47014704732018 14.007 > 9 52 N 0.81923876160517 0.39765323621668 0.47014704732018 14.007 > 9 53 N 0.31923876160517 0.73098656955002 0.47014704732018 14.007 > 9 54 N 0.81923876160517 0.73098656955002 0.47014704732018 14.007 > 9 *55 N 0.01746293541716 0.32640840960835 0.11922590036451 14.007 > 10 56 N 0.51746293541716 0.32640840960835 0.11922590036451 14.007 > 10 57 N 0.01746293541716 0.65974174294169 0.11922590036451 14.007 > 10 58 N 0.51746293541716 0.65974174294169 0.11922590036451 14.007 > 10 59 N 0.01746293541716 0.99307507627502 0.11922590036451 14.007 > 10 60 N 0.51746293541716 0.99307507627502 0.11922590036451 14.007 > 10 61 N 0.18076123839483 0.23098656955002 0.02985295267982 14.007 > 11 62 N 0.68076123839483 0.23098656955002 0.02985295267982 14.007 > 11 63 N 0.18076123839483 0.56431990288335 0.02985295267982 14.007 > 11 64 N 0.68076123839483 0.56431990288335 0.02985295267982 14.007 > 11 65 N 0.18076123839483 0.89765323621668 0.02985295267982 14.007 > 11 66 N 0.68076123839483 0.89765323621668 0.02985295267982 14.007 > 11 *67 N 0.04570974022638 0.33208959183330 0.65275930071607 14.007 > 12 68 N 0.54570974022638 0.33208959183330 0.65275930071607 14.007 > 12 69 N 0.04570974022638 0.66542292516664 0.65275930071607 14.007 > 12 70 N 0.54570974022638 0.66542292516664 0.65275930071607 14.007 > 12 71 N 0.04570974022638 0.99875625849997 0.65275930071607 14.007 > 12 72 N 0.54570974022638 0.99875625849997 0.65275930071607 14.007 > 12 73 N 0.31923876160517 0.10234676378332 0.97014704732018 14.007 > 13 74 N 0.81923876160517 0.10234676378332 0.97014704732018 14.007 > 13 75 N 0.31923876160517 0.43568009711665 0.97014704732018 14.007 > 13 76 N 0.81923876160517 0.43568009711665 0.97014704732018 14.007 > 13 77 N 0.31923876160517 0.76901343044998 0.97014704732018 14.007 > 13 78 N 0.81923876160517 0.76901343044998 0.97014704732018 14.007 > 13 79 N 0.45429025977362 0.00124374150003 0.34724069928393 14.007 > 14 80 N 0.95429025977362 0.00124374150003 0.34724069928393 14.007 > 14 81 N 0.45429025977362 0.33457707483336 0.34724069928393 14.007 > 14 82 N 0.95429025977362 0.33457707483336 0.34724069928393 14.007 > 14 83 N 0.45429025977362 0.66791040816670 0.34724069928393 14.007 > 14 84 N 0.95429025977362 0.66791040816670 0.34724069928393 14.007 > 14 85 N 0.45429025977362 0.16542292516664 0.84724069928393 14.007 > 15 86 N 0.95429025977362 0.16542292516664 0.84724069928393 14.007 > 15 87 N 0.45429025977362 0.49875625849997 0.84724069928393 14.007 > 15 88 N 0.95429025977362 0.49875625849997 0.84724069928393 14.007 > 15 89 N 0.45429025977362 0.83208959183330 0.84724069928393 14.007 > 15 90 N 0.95429025977362 0.83208959183330 0.84724069928393 14.007 > 15 91 N 0.48253706458284 0.00692492372498 0.88077409963549 14.007 > 16 92 N 0.98253706458284 0.00692492372498 0.88077409963549 14.007 > 16 93 N 0.48253706458284 0.34025825705831 0.88077409963549 14.007 > 16 94 N 0.98253706458284 0.34025825705831 0.88077409963549 14.007 > 16 95 N 0.48253706458284 0.67359159039165 0.88077409963549 14.007 > 16 96 N 0.98253706458284 0.67359159039165 0.88077409963549 14.007 > 16 97 N 0.04570974022638 0.16791040816670 0.15275930071607 14.007 > 17 98 N 0.54570974022638 0.16791040816670 0.15275930071607 14.007 > 17 99 N 0.04570974022638 0.50124374150003 0.15275930071607 14.007 > 17 100 N 0.54570974022638 0.50124374150003 0.15275930071607 14.007 > 17 101 N 0.04570974022638 0.83457707483336 0.15275930071607 14.007 > 17 102 N 0.54570974022638 0.83457707483336 0.15275930071607 14.007 > 17 103 N 0.18076123839483 0.26901343044998 0.52985295267982 14.007 > 18 104 N 0.68076123839483 0.26901343044998 0.52985295267982 14.007 > 18 105 N 0.18076123839483 0.60234676378332 0.52985295267982 14.007 > 18 106 N 0.68076123839483 0.60234676378332 0.52985295267982 14.007 > 18 107 N 0.18076123839483 0.93568009711665 0.52985295267982 14.007 > 18 108 N 0.68076123839483 0.93568009711665 0.52985295267982 14.007 > 18 109 N 0.01746293541716 0.17359159039165 0.61922590036451 14.007 > 19 110 N 0.51746293541716 0.17359159039165 0.61922590036451 14.007 > 19 111 N 0.01746293541716 0.50692492372498 0.61922590036451 14.007 > 19 112 N 0.51746293541716 0.50692492372498 0.61922590036451 14.007 > 19 113 N 0.01746293541716 0.84025825705831 0.61922590036451 14.007 > 19 114 N 0.51746293541716 0.84025825705831 0.61922590036451 14.007 > 19 115 N 0.48253706458284 0.15974174294169 0.38077409963549 14.007 > 20 116 N 0.98253706458284 0.15974174294169 0.38077409963549 14.007 > 20 117 N 0.48253706458284 0.49307507627502 0.38077409963549 14.007 > 20 118 N 0.98253706458284 0.49307507627502 0.38077409963549 14.007 > 20 119 N 0.48253706458284 0.82640840960835 0.38077409963549 14.007 > 20 120 N 0.98253706458284 0.82640840960835 0.38077409963549 14.007 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5941628 0.0000000 -0.7127526 0.0000000 9.0900412 0.0000000 -0.7130865 0.0000000 5.9563495 -------------------------- Born effective charges -------------------------- 1 La 4.4918292 0.0759954 -0.1496562 -0.0887800 3.8296093 -0.4525673 -0.4962782 -0.5139362 5.0883358 2 La 4.4918292 0.0759954 -0.1496562 -0.0887800 3.8296093 -0.4525673 -0.4962782 -0.5139362 5.0883358 3 La 4.4918292 -0.0759954 -0.1496562 0.0887800 3.8296093 0.4525673 -0.4962782 0.5139362 5.0883358 4 La 4.4918292 -0.0759954 -0.1496562 0.0887800 3.8296093 0.4525673 -0.4962782 0.5139362 5.0883358 5 Re 2.6873793 0.5581815 -0.5095811 2.2218084 2.6699743 0.4361717 0.3018149 0.1541802 1.1535713 6 Re 2.6873793 -0.5581815 -0.5095811 -2.2218084 2.6699743 -0.4361717 0.3018149 -0.1541802 1.1535713 7 Re 2.6873793 -0.5581815 -0.5095811 -2.2218084 2.6699743 -0.4361717 0.3018149 -0.1541802 1.1535713 8 Re 2.6873793 0.5581815 -0.5095811 2.2218084 2.6699743 0.4361717 0.3018149 0.1541802 1.1535713 9 N -4.6532209 -0.3630828 -0.8910932 -1.0036804 -0.9012529 0.0723890 -0.7556396 0.1746452 -0.9764176 10 N -1.2898081 0.1930656 0.8792803 0.5005923 -3.9301506 -0.0512690 0.8175597 0.1916173 -2.6217197 11 N -4.6532209 0.3630828 -0.8910932 1.0036804 -0.9012529 -0.0723890 -0.7556396 -0.1746452 -0.9764176 12 N -1.2361795 0.0462444 0.6710502 -0.6640403 -1.6681802 -0.3892283 0.1325433 -0.1295050 -2.6437699 13 N -4.6532209 0.3630828 -0.8910932 1.0036804 -0.9012529 -0.0723890 -0.7556396 -0.1746452 -0.9764176 14 N -1.2361795 0.0462444 0.6710502 -0.6640403 -1.6681802 -0.3892283 0.1325433 -0.1295050 -2.6437699 15 N -1.2361795 -0.0462444 0.6710502 0.6640403 -1.6681802 0.3892283 0.1325433 0.1295050 -2.6437699 16 N -1.2898081 0.1930656 0.8792803 0.5005923 -3.9301506 -0.0512690 0.8175597 0.1916173 -2.6217197 17 N -1.2361795 -0.0462444 0.6710502 0.6640403 -1.6681802 0.3892283 0.1325433 0.1295050 -2.6437699 18 N -4.6532209 -0.3630828 -0.8910932 -1.0036804 -0.9012529 0.0723890 -0.7556396 0.1746452 -0.9764176 19 N -1.2898081 -0.1930656 0.8792803 -0.5005923 -3.9301506 0.0512690 0.8175597 -0.1916173 -2.6217197 20 N -1.2898081 -0.1930656 0.8792803 -0.5005923 -3.9301506 0.0512690 0.8175597 -0.1916173 -2.6217197 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2820 Number of blocks in projector: 2820 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: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 94 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 600 / 600 (1) 95 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 94 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 340 Use standard eigh solver. Tree of FC basis block matrices: - (2820, 2776), data: False |-- (340, 335), data: True |-- (340, 335), data: True |-- (340, 335), data: True |-- (600, 590), data: False |-- (600, 6), data: (600, 16) @ (16, 6) |-- (100, 94), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (600, 591), data: False |-- (600, 5), data: (600, 14) @ (14, 5) |-- (100, 95), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (600, 590), data: False |-- (600, 6), data: (600, 16) @ (16, 6) |-- (100, 94), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 0.830 Solver_block: 200 / 640 - Time: 0.762 Solver_block: 300 / 640 - Time: 0.772 Solver_block: 400 / 640 - Time: 0.780 Solver_block: 500 / 640 - Time: 0.773 Solver_block: 600 / 640 - Time: 0.770 Solver_block: 640 / 640 - Time: 0.382 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.184 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zx) 0.00000000 (zx) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2820 Number of blocks in projector: 2820 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: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 94 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 600 / 600 (1) 95 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 94 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 340 Use standard eigh solver. Tree of FC basis block matrices: - (2820, 2776), data: False |-- (340, 335), data: True |-- (340, 335), data: True |-- (340, 335), data: True |-- (600, 590), data: False |-- (600, 6), data: (600, 16) @ (16, 6) |-- (100, 94), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (600, 591), data: False |-- (600, 5), data: (600, 14) @ (14, 5) |-- (100, 95), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (600, 590), data: False |-- (600, 6), data: (600, 16) @ (16, 6) |-- (100, 94), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zx) 0.00000000 (zx) 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 04:53:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:53:39]------------------------- 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 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.994681910269574 0.000000000000000 0.000000000000000 b 0.000000000000000 5.317242090000001 0.000000000000000 c -5.703640229911760 0.000000000000000 9.572234375104447 Atomic positions (fractional): 1 La 0.77628274078920 0.79054954522108 0.66407058839251 138.905 2 La 0.22371725921080 0.20945045477892 0.33592941160749 138.905 3 La 0.77628274078920 0.70945045477892 0.16407058839251 138.905 4 La 0.22371725921080 0.29054954522108 0.83592941160749 138.905 5 Re 0.09434242452208 0.77984830855834 0.50667460853626 186.207 6 Re 0.09434242452208 0.72015169144166 0.00667460853626 186.207 7 Re 0.90565757547792 0.27984830855834 0.99332539146374 186.207 8 Re 0.90565757547792 0.22015169144165 0.49332539146374 186.207 9 N 0.63847752321033 0.19295970865005 0.47014704732018 14.007 10 N 0.03492587083432 0.97922522882506 0.11922590036451 14.007 11 N 0.36152247678967 0.69295970865005 0.02985295267982 14.007 12 N 0.09141948045277 0.99626877549991 0.65275930071607 14.007 13 N 0.63847752321033 0.30704029134995 0.97014704732018 14.007 14 N 0.90858051954723 0.00373122450009 0.34724069928393 14.007 15 N 0.90858051954723 0.49626877549991 0.84724069928393 14.007 16 N 0.96507412916568 0.02077477117494 0.88077409963549 14.007 17 N 0.09141948045277 0.50373122450009 0.15275930071607 14.007 18 N 0.36152247678967 0.80704029134995 0.52985295267982 14.007 19 N 0.03492587083432 0.52077477117494 0.61922590036451 14.007 20 N 0.96507412916568 0.47922522882506 0.38077409963549 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.989363820539149 0.000000000000000 0.000000000000000 b 0.000000000000000 15.951726270000002 0.000000000000000 c -5.703640229911760 0.000000000000000 9.572234375104447 Atomic positions (fractional): 1 La 0.38814137039460 0.26351651507369 0.66407058839251 138.905 > 1 2 La 0.88814137039460 0.26351651507369 0.66407058839251 138.905 > 1 3 La 0.38814137039460 0.59684984840703 0.66407058839251 138.905 > 1 4 La 0.88814137039460 0.59684984840703 0.66407058839251 138.905 > 1 5 La 0.38814137039460 0.93018318174036 0.66407058839251 138.905 > 1 6 La 0.88814137039460 0.93018318174036 0.66407058839251 138.905 > 1 7 La 0.11185862960540 0.06981681825964 0.33592941160749 138.905 > 7 8 La 0.61185862960540 0.06981681825964 0.33592941160749 138.905 > 7 9 La 0.11185862960540 0.40315015159297 0.33592941160749 138.905 > 7 10 La 0.61185862960540 0.40315015159297 0.33592941160749 138.905 > 7 11 La 0.11185862960540 0.73648348492631 0.33592941160749 138.905 > 7 12 La 0.61185862960540 0.73648348492631 0.33592941160749 138.905 > 7 13 La 0.38814137039460 0.23648348492631 0.16407058839251 138.905 > 13 14 La 0.88814137039460 0.23648348492631 0.16407058839251 138.905 > 13 15 La 0.38814137039460 0.56981681825964 0.16407058839251 138.905 > 13 16 La 0.88814137039460 0.56981681825964 0.16407058839251 138.905 > 13 17 La 0.38814137039460 0.90315015159297 0.16407058839251 138.905 > 13 18 La 0.88814137039460 0.90315015159297 0.16407058839251 138.905 > 13 19 La 0.11185862960540 0.09684984840703 0.83592941160749 138.905 > 19 20 La 0.61185862960540 0.09684984840703 0.83592941160749 138.905 > 19 21 La 0.11185862960540 0.43018318174036 0.83592941160749 138.905 > 19 22 La 0.61185862960540 0.43018318174036 0.83592941160749 138.905 > 19 23 La 0.11185862960540 0.76351651507369 0.83592941160749 138.905 > 19 24 La 0.61185862960540 0.76351651507369 0.83592941160749 138.905 > 19 25 Re 0.04717121226104 0.25994943618611 0.50667460853626 186.207 > 25 26 Re 0.54717121226104 0.25994943618611 0.50667460853626 186.207 > 25 27 Re 0.04717121226104 0.59328276951945 0.50667460853626 186.207 > 25 28 Re 0.54717121226104 0.59328276951945 0.50667460853626 186.207 > 25 29 Re 0.04717121226104 0.92661610285278 0.50667460853626 186.207 > 25 30 Re 0.54717121226104 0.92661610285278 0.50667460853626 186.207 > 25 31 Re 0.04717121226104 0.24005056381389 0.00667460853626 186.207 > 31 32 Re 0.54717121226104 0.24005056381389 0.00667460853626 186.207 > 31 33 Re 0.04717121226104 0.57338389714722 0.00667460853626 186.207 > 31 34 Re 0.54717121226104 0.57338389714722 0.00667460853626 186.207 > 31 35 Re 0.04717121226104 0.90671723048055 0.00667460853626 186.207 > 31 36 Re 0.54717121226104 0.90671723048055 0.00667460853626 186.207 > 31 37 Re 0.45282878773896 0.09328276951945 0.99332539146374 186.207 > 37 38 Re 0.95282878773896 0.09328276951945 0.99332539146374 186.207 > 37 39 Re 0.45282878773896 0.42661610285278 0.99332539146374 186.207 > 37 40 Re 0.95282878773896 0.42661610285278 0.99332539146374 186.207 > 37 41 Re 0.45282878773896 0.75994943618611 0.99332539146374 186.207 > 37 42 Re 0.95282878773896 0.75994943618611 0.99332539146374 186.207 > 37 43 Re 0.45282878773896 0.07338389714722 0.49332539146374 186.207 > 43 44 Re 0.95282878773896 0.07338389714722 0.49332539146374 186.207 > 43 45 Re 0.45282878773896 0.40671723048055 0.49332539146374 186.207 > 43 46 Re 0.95282878773896 0.40671723048055 0.49332539146374 186.207 > 43 47 Re 0.45282878773896 0.74005056381389 0.49332539146374 186.207 > 43 48 Re 0.95282878773896 0.74005056381389 0.49332539146374 186.207 > 43 49 N 0.31923876160517 0.06431990288335 0.47014704732018 14.007 > 49 50 N 0.81923876160517 0.06431990288335 0.47014704732018 14.007 > 49 51 N 0.31923876160517 0.39765323621668 0.47014704732018 14.007 > 49 52 N 0.81923876160517 0.39765323621668 0.47014704732018 14.007 > 49 53 N 0.31923876160517 0.73098656955002 0.47014704732018 14.007 > 49 54 N 0.81923876160517 0.73098656955002 0.47014704732018 14.007 > 49 55 N 0.01746293541716 0.32640840960835 0.11922590036451 14.007 > 55 56 N 0.51746293541716 0.32640840960835 0.11922590036451 14.007 > 55 57 N 0.01746293541716 0.65974174294169 0.11922590036451 14.007 > 55 58 N 0.51746293541716 0.65974174294169 0.11922590036451 14.007 > 55 59 N 0.01746293541716 0.99307507627502 0.11922590036451 14.007 > 55 60 N 0.51746293541716 0.99307507627502 0.11922590036451 14.007 > 55 61 N 0.18076123839483 0.23098656955002 0.02985295267982 14.007 > 61 62 N 0.68076123839483 0.23098656955002 0.02985295267982 14.007 > 61 63 N 0.18076123839483 0.56431990288335 0.02985295267982 14.007 > 61 64 N 0.68076123839483 0.56431990288335 0.02985295267982 14.007 > 61 65 N 0.18076123839483 0.89765323621668 0.02985295267982 14.007 > 61 66 N 0.68076123839483 0.89765323621668 0.02985295267982 14.007 > 61 67 N 0.04570974022638 0.33208959183330 0.65275930071607 14.007 > 67 68 N 0.54570974022638 0.33208959183330 0.65275930071607 14.007 > 67 69 N 0.04570974022638 0.66542292516664 0.65275930071607 14.007 > 67 70 N 0.54570974022638 0.66542292516664 0.65275930071607 14.007 > 67 71 N 0.04570974022638 0.99875625849997 0.65275930071607 14.007 > 67 72 N 0.54570974022638 0.99875625849997 0.65275930071607 14.007 > 67 73 N 0.31923876160517 0.10234676378332 0.97014704732018 14.007 > 73 74 N 0.81923876160517 0.10234676378332 0.97014704732018 14.007 > 73 75 N 0.31923876160517 0.43568009711665 0.97014704732018 14.007 > 73 76 N 0.81923876160517 0.43568009711665 0.97014704732018 14.007 > 73 77 N 0.31923876160517 0.76901343044998 0.97014704732018 14.007 > 73 78 N 0.81923876160517 0.76901343044998 0.97014704732018 14.007 > 73 79 N 0.45429025977362 0.00124374150003 0.34724069928393 14.007 > 79 80 N 0.95429025977362 0.00124374150003 0.34724069928393 14.007 > 79 81 N 0.45429025977362 0.33457707483336 0.34724069928393 14.007 > 79 82 N 0.95429025977362 0.33457707483336 0.34724069928393 14.007 > 79 83 N 0.45429025977362 0.66791040816670 0.34724069928393 14.007 > 79 84 N 0.95429025977362 0.66791040816670 0.34724069928393 14.007 > 79 85 N 0.45429025977362 0.16542292516664 0.84724069928393 14.007 > 85 86 N 0.95429025977362 0.16542292516664 0.84724069928393 14.007 > 85 87 N 0.45429025977362 0.49875625849997 0.84724069928393 14.007 > 85 88 N 0.95429025977362 0.49875625849997 0.84724069928393 14.007 > 85 89 N 0.45429025977362 0.83208959183330 0.84724069928393 14.007 > 85 90 N 0.95429025977362 0.83208959183330 0.84724069928393 14.007 > 85 91 N 0.48253706458284 0.00692492372498 0.88077409963549 14.007 > 91 92 N 0.98253706458284 0.00692492372498 0.88077409963549 14.007 > 91 93 N 0.48253706458284 0.34025825705831 0.88077409963549 14.007 > 91 94 N 0.98253706458284 0.34025825705831 0.88077409963549 14.007 > 91 95 N 0.48253706458284 0.67359159039165 0.88077409963549 14.007 > 91 96 N 0.98253706458284 0.67359159039165 0.88077409963549 14.007 > 91 97 N 0.04570974022638 0.16791040816670 0.15275930071607 14.007 > 97 98 N 0.54570974022638 0.16791040816670 0.15275930071607 14.007 > 97 99 N 0.04570974022638 0.50124374150003 0.15275930071607 14.007 > 97 100 N 0.54570974022638 0.50124374150003 0.15275930071607 14.007 > 97 101 N 0.04570974022638 0.83457707483336 0.15275930071607 14.007 > 97 102 N 0.54570974022638 0.83457707483336 0.15275930071607 14.007 > 97 103 N 0.18076123839483 0.26901343044998 0.52985295267982 14.007 > 103 104 N 0.68076123839483 0.26901343044998 0.52985295267982 14.007 > 103 105 N 0.18076123839483 0.60234676378332 0.52985295267982 14.007 > 103 106 N 0.68076123839483 0.60234676378332 0.52985295267982 14.007 > 103 107 N 0.18076123839483 0.93568009711665 0.52985295267982 14.007 > 103 108 N 0.68076123839483 0.93568009711665 0.52985295267982 14.007 > 103 109 N 0.01746293541716 0.17359159039165 0.61922590036451 14.007 > 109 110 N 0.51746293541716 0.17359159039165 0.61922590036451 14.007 > 109 111 N 0.01746293541716 0.50692492372498 0.61922590036451 14.007 > 109 112 N 0.51746293541716 0.50692492372498 0.61922590036451 14.007 > 109 113 N 0.01746293541716 0.84025825705831 0.61922590036451 14.007 > 109 114 N 0.51746293541716 0.84025825705831 0.61922590036451 14.007 > 109 115 N 0.48253706458284 0.15974174294169 0.38077409963549 14.007 > 115 116 N 0.98253706458284 0.15974174294169 0.38077409963549 14.007 > 115 117 N 0.48253706458284 0.49307507627502 0.38077409963549 14.007 > 115 118 N 0.98253706458284 0.49307507627502 0.38077409963549 14.007 > 115 119 N 0.48253706458284 0.82640840960835 0.38077409963549 14.007 > 115 120 N 0.98253706458284 0.82640840960835 0.38077409963549 14.007 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5941628 0.0000000 -0.7127526 0.0000000 9.0900412 0.0000000 -0.7130865 0.0000000 5.9563495 -------------------------- Born effective charges -------------------------- 1 La 4.4918292 0.0759954 -0.1496562 -0.0887800 3.8296093 -0.4525673 -0.4962782 -0.5139362 5.0883358 2 La 4.4918292 0.0759954 -0.1496562 -0.0887800 3.8296093 -0.4525673 -0.4962782 -0.5139362 5.0883358 3 La 4.4918292 -0.0759954 -0.1496562 0.0887800 3.8296093 0.4525673 -0.4962782 0.5139362 5.0883358 4 La 4.4918292 -0.0759954 -0.1496562 0.0887800 3.8296093 0.4525673 -0.4962782 0.5139362 5.0883358 5 Re 2.6873793 0.5581815 -0.5095811 2.2218084 2.6699743 0.4361717 0.3018149 0.1541802 1.1535713 6 Re 2.6873793 -0.5581815 -0.5095811 -2.2218084 2.6699743 -0.4361717 0.3018149 -0.1541802 1.1535713 7 Re 2.6873793 -0.5581815 -0.5095811 -2.2218084 2.6699743 -0.4361717 0.3018149 -0.1541802 1.1535713 8 Re 2.6873793 0.5581815 -0.5095811 2.2218084 2.6699743 0.4361717 0.3018149 0.1541802 1.1535713 9 N -4.6532209 -0.3630828 -0.8910932 -1.0036804 -0.9012529 0.0723890 -0.7556396 0.1746452 -0.9764176 10 N -1.2898081 0.1930656 0.8792803 0.5005923 -3.9301506 -0.0512690 0.8175597 0.1916173 -2.6217197 11 N -4.6532209 0.3630828 -0.8910932 1.0036804 -0.9012529 -0.0723890 -0.7556396 -0.1746452 -0.9764176 12 N -1.2361795 0.0462444 0.6710502 -0.6640403 -1.6681802 -0.3892283 0.1325433 -0.1295050 -2.6437699 13 N -4.6532209 0.3630828 -0.8910932 1.0036804 -0.9012529 -0.0723890 -0.7556396 -0.1746452 -0.9764176 14 N -1.2361795 0.0462444 0.6710502 -0.6640403 -1.6681802 -0.3892283 0.1325433 -0.1295050 -2.6437699 15 N -1.2361795 -0.0462444 0.6710502 0.6640403 -1.6681802 0.3892283 0.1325433 0.1295050 -2.6437699 16 N -1.2898081 0.1930656 0.8792803 0.5005923 -3.9301506 -0.0512690 0.8175597 0.1916173 -2.6217197 17 N -1.2361795 -0.0462444 0.6710502 0.6640403 -1.6681802 0.3892283 0.1325433 0.1295050 -2.6437699 18 N -4.6532209 -0.3630828 -0.8910932 -1.0036804 -0.9012529 0.0723890 -0.7556396 0.1746452 -0.9764176 19 N -1.2898081 -0.1930656 0.8792803 -0.5005923 -3.9301506 0.0512690 0.8175597 -0.1916173 -2.6217197 20 N -1.2898081 -0.1930656 0.8792803 -0.5005923 -3.9301506 0.0512690 0.8175597 -0.1916173 -2.6217197 ---------------------------------------------------------------------------- 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 55, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 67, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) 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 04:54:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:54:05]------------------------- 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 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.994681910269574 0.000000000000000 0.000000000000000 b 0.000000000000000 5.317242090000001 0.000000000000000 c -5.703640229911760 0.000000000000000 9.572234375104447 Atomic positions (fractional): 1 La 0.77628274078920 0.79054954522108 0.66407058839251 138.905 2 La 0.22371725921080 0.20945045477892 0.33592941160749 138.905 3 La 0.77628274078920 0.70945045477892 0.16407058839251 138.905 4 La 0.22371725921080 0.29054954522108 0.83592941160749 138.905 5 Re 0.09434242452208 0.77984830855834 0.50667460853626 186.207 6 Re 0.09434242452208 0.72015169144166 0.00667460853626 186.207 7 Re 0.90565757547792 0.27984830855834 0.99332539146374 186.207 8 Re 0.90565757547792 0.22015169144165 0.49332539146374 186.207 9 N 0.63847752321033 0.19295970865005 0.47014704732018 14.007 10 N 0.03492587083432 0.97922522882506 0.11922590036451 14.007 11 N 0.36152247678967 0.69295970865005 0.02985295267982 14.007 12 N 0.09141948045277 0.99626877549991 0.65275930071607 14.007 13 N 0.63847752321033 0.30704029134995 0.97014704732018 14.007 14 N 0.90858051954723 0.00373122450009 0.34724069928393 14.007 15 N 0.90858051954723 0.49626877549991 0.84724069928393 14.007 16 N 0.96507412916568 0.02077477117494 0.88077409963549 14.007 17 N 0.09141948045277 0.50373122450009 0.15275930071607 14.007 18 N 0.36152247678967 0.80704029134995 0.52985295267982 14.007 19 N 0.03492587083432 0.52077477117494 0.61922590036451 14.007 20 N 0.96507412916568 0.47922522882506 0.38077409963549 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.989363820539149 0.000000000000000 0.000000000000000 b 0.000000000000000 15.951726270000002 0.000000000000000 c -5.703640229911760 0.000000000000000 9.572234375104447 Atomic positions (fractional): 1 La 0.38814137039460 0.26351651507369 0.66407058839251 138.905 > 1 2 La 0.88814137039460 0.26351651507369 0.66407058839251 138.905 > 1 3 La 0.38814137039460 0.59684984840703 0.66407058839251 138.905 > 1 4 La 0.88814137039460 0.59684984840703 0.66407058839251 138.905 > 1 5 La 0.38814137039460 0.93018318174036 0.66407058839251 138.905 > 1 6 La 0.88814137039460 0.93018318174036 0.66407058839251 138.905 > 1 7 La 0.11185862960540 0.06981681825964 0.33592941160749 138.905 > 7 8 La 0.61185862960540 0.06981681825964 0.33592941160749 138.905 > 7 9 La 0.11185862960540 0.40315015159297 0.33592941160749 138.905 > 7 10 La 0.61185862960540 0.40315015159297 0.33592941160749 138.905 > 7 11 La 0.11185862960540 0.73648348492631 0.33592941160749 138.905 > 7 12 La 0.61185862960540 0.73648348492631 0.33592941160749 138.905 > 7 13 La 0.38814137039460 0.23648348492631 0.16407058839251 138.905 > 13 14 La 0.88814137039460 0.23648348492631 0.16407058839251 138.905 > 13 15 La 0.38814137039460 0.56981681825964 0.16407058839251 138.905 > 13 16 La 0.88814137039460 0.56981681825964 0.16407058839251 138.905 > 13 17 La 0.38814137039460 0.90315015159297 0.16407058839251 138.905 > 13 18 La 0.88814137039460 0.90315015159297 0.16407058839251 138.905 > 13 19 La 0.11185862960540 0.09684984840703 0.83592941160749 138.905 > 19 20 La 0.61185862960540 0.09684984840703 0.83592941160749 138.905 > 19 21 La 0.11185862960540 0.43018318174036 0.83592941160749 138.905 > 19 22 La 0.61185862960540 0.43018318174036 0.83592941160749 138.905 > 19 23 La 0.11185862960540 0.76351651507369 0.83592941160749 138.905 > 19 24 La 0.61185862960540 0.76351651507369 0.83592941160749 138.905 > 19 25 Re 0.04717121226104 0.25994943618611 0.50667460853626 186.207 > 25 26 Re 0.54717121226104 0.25994943618611 0.50667460853626 186.207 > 25 27 Re 0.04717121226104 0.59328276951945 0.50667460853626 186.207 > 25 28 Re 0.54717121226104 0.59328276951945 0.50667460853626 186.207 > 25 29 Re 0.04717121226104 0.92661610285278 0.50667460853626 186.207 > 25 30 Re 0.54717121226104 0.92661610285278 0.50667460853626 186.207 > 25 31 Re 0.04717121226104 0.24005056381389 0.00667460853626 186.207 > 31 32 Re 0.54717121226104 0.24005056381389 0.00667460853626 186.207 > 31 33 Re 0.04717121226104 0.57338389714722 0.00667460853626 186.207 > 31 34 Re 0.54717121226104 0.57338389714722 0.00667460853626 186.207 > 31 35 Re 0.04717121226104 0.90671723048055 0.00667460853626 186.207 > 31 36 Re 0.54717121226104 0.90671723048055 0.00667460853626 186.207 > 31 37 Re 0.45282878773896 0.09328276951945 0.99332539146374 186.207 > 37 38 Re 0.95282878773896 0.09328276951945 0.99332539146374 186.207 > 37 39 Re 0.45282878773896 0.42661610285278 0.99332539146374 186.207 > 37 40 Re 0.95282878773896 0.42661610285278 0.99332539146374 186.207 > 37 41 Re 0.45282878773896 0.75994943618611 0.99332539146374 186.207 > 37 42 Re 0.95282878773896 0.75994943618611 0.99332539146374 186.207 > 37 43 Re 0.45282878773896 0.07338389714722 0.49332539146374 186.207 > 43 44 Re 0.95282878773896 0.07338389714722 0.49332539146374 186.207 > 43 45 Re 0.45282878773896 0.40671723048055 0.49332539146374 186.207 > 43 46 Re 0.95282878773896 0.40671723048055 0.49332539146374 186.207 > 43 47 Re 0.45282878773896 0.74005056381389 0.49332539146374 186.207 > 43 48 Re 0.95282878773896 0.74005056381389 0.49332539146374 186.207 > 43 49 N 0.31923876160517 0.06431990288335 0.47014704732018 14.007 > 49 50 N 0.81923876160517 0.06431990288335 0.47014704732018 14.007 > 49 51 N 0.31923876160517 0.39765323621668 0.47014704732018 14.007 > 49 52 N 0.81923876160517 0.39765323621668 0.47014704732018 14.007 > 49 53 N 0.31923876160517 0.73098656955002 0.47014704732018 14.007 > 49 54 N 0.81923876160517 0.73098656955002 0.47014704732018 14.007 > 49 55 N 0.01746293541716 0.32640840960835 0.11922590036451 14.007 > 55 56 N 0.51746293541716 0.32640840960835 0.11922590036451 14.007 > 55 57 N 0.01746293541716 0.65974174294169 0.11922590036451 14.007 > 55 58 N 0.51746293541716 0.65974174294169 0.11922590036451 14.007 > 55 59 N 0.01746293541716 0.99307507627502 0.11922590036451 14.007 > 55 60 N 0.51746293541716 0.99307507627502 0.11922590036451 14.007 > 55 61 N 0.18076123839483 0.23098656955002 0.02985295267982 14.007 > 61 62 N 0.68076123839483 0.23098656955002 0.02985295267982 14.007 > 61 63 N 0.18076123839483 0.56431990288335 0.02985295267982 14.007 > 61 64 N 0.68076123839483 0.56431990288335 0.02985295267982 14.007 > 61 65 N 0.18076123839483 0.89765323621668 0.02985295267982 14.007 > 61 66 N 0.68076123839483 0.89765323621668 0.02985295267982 14.007 > 61 67 N 0.04570974022638 0.33208959183330 0.65275930071607 14.007 > 67 68 N 0.54570974022638 0.33208959183330 0.65275930071607 14.007 > 67 69 N 0.04570974022638 0.66542292516664 0.65275930071607 14.007 > 67 70 N 0.54570974022638 0.66542292516664 0.65275930071607 14.007 > 67 71 N 0.04570974022638 0.99875625849997 0.65275930071607 14.007 > 67 72 N 0.54570974022638 0.99875625849997 0.65275930071607 14.007 > 67 73 N 0.31923876160517 0.10234676378332 0.97014704732018 14.007 > 73 74 N 0.81923876160517 0.10234676378332 0.97014704732018 14.007 > 73 75 N 0.31923876160517 0.43568009711665 0.97014704732018 14.007 > 73 76 N 0.81923876160517 0.43568009711665 0.97014704732018 14.007 > 73 77 N 0.31923876160517 0.76901343044998 0.97014704732018 14.007 > 73 78 N 0.81923876160517 0.76901343044998 0.97014704732018 14.007 > 73 79 N 0.45429025977362 0.00124374150003 0.34724069928393 14.007 > 79 80 N 0.95429025977362 0.00124374150003 0.34724069928393 14.007 > 79 81 N 0.45429025977362 0.33457707483336 0.34724069928393 14.007 > 79 82 N 0.95429025977362 0.33457707483336 0.34724069928393 14.007 > 79 83 N 0.45429025977362 0.66791040816670 0.34724069928393 14.007 > 79 84 N 0.95429025977362 0.66791040816670 0.34724069928393 14.007 > 79 85 N 0.45429025977362 0.16542292516664 0.84724069928393 14.007 > 85 86 N 0.95429025977362 0.16542292516664 0.84724069928393 14.007 > 85 87 N 0.45429025977362 0.49875625849997 0.84724069928393 14.007 > 85 88 N 0.95429025977362 0.49875625849997 0.84724069928393 14.007 > 85 89 N 0.45429025977362 0.83208959183330 0.84724069928393 14.007 > 85 90 N 0.95429025977362 0.83208959183330 0.84724069928393 14.007 > 85 91 N 0.48253706458284 0.00692492372498 0.88077409963549 14.007 > 91 92 N 0.98253706458284 0.00692492372498 0.88077409963549 14.007 > 91 93 N 0.48253706458284 0.34025825705831 0.88077409963549 14.007 > 91 94 N 0.98253706458284 0.34025825705831 0.88077409963549 14.007 > 91 95 N 0.48253706458284 0.67359159039165 0.88077409963549 14.007 > 91 96 N 0.98253706458284 0.67359159039165 0.88077409963549 14.007 > 91 97 N 0.04570974022638 0.16791040816670 0.15275930071607 14.007 > 97 98 N 0.54570974022638 0.16791040816670 0.15275930071607 14.007 > 97 99 N 0.04570974022638 0.50124374150003 0.15275930071607 14.007 > 97 100 N 0.54570974022638 0.50124374150003 0.15275930071607 14.007 > 97 101 N 0.04570974022638 0.83457707483336 0.15275930071607 14.007 > 97 102 N 0.54570974022638 0.83457707483336 0.15275930071607 14.007 > 97 103 N 0.18076123839483 0.26901343044998 0.52985295267982 14.007 > 103 104 N 0.68076123839483 0.26901343044998 0.52985295267982 14.007 > 103 105 N 0.18076123839483 0.60234676378332 0.52985295267982 14.007 > 103 106 N 0.68076123839483 0.60234676378332 0.52985295267982 14.007 > 103 107 N 0.18076123839483 0.93568009711665 0.52985295267982 14.007 > 103 108 N 0.68076123839483 0.93568009711665 0.52985295267982 14.007 > 103 109 N 0.01746293541716 0.17359159039165 0.61922590036451 14.007 > 109 110 N 0.51746293541716 0.17359159039165 0.61922590036451 14.007 > 109 111 N 0.01746293541716 0.50692492372498 0.61922590036451 14.007 > 109 112 N 0.51746293541716 0.50692492372498 0.61922590036451 14.007 > 109 113 N 0.01746293541716 0.84025825705831 0.61922590036451 14.007 > 109 114 N 0.51746293541716 0.84025825705831 0.61922590036451 14.007 > 109 115 N 0.48253706458284 0.15974174294169 0.38077409963549 14.007 > 115 116 N 0.98253706458284 0.15974174294169 0.38077409963549 14.007 > 115 117 N 0.48253706458284 0.49307507627502 0.38077409963549 14.007 > 115 118 N 0.98253706458284 0.49307507627502 0.38077409963549 14.007 > 115 119 N 0.48253706458284 0.82640840960835 0.38077409963549 14.007 > 115 120 N 0.98253706458284 0.82640840960835 0.38077409963549 14.007 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5941628 0.0000000 -0.7127526 0.0000000 9.0900412 0.0000000 -0.7130865 0.0000000 5.9563495 -------------------------- Born effective charges -------------------------- 1 La 4.4918292 0.0759954 -0.1496562 -0.0887800 3.8296093 -0.4525673 -0.4962782 -0.5139362 5.0883358 2 La 4.4918292 0.0759954 -0.1496562 -0.0887800 3.8296093 -0.4525673 -0.4962782 -0.5139362 5.0883358 3 La 4.4918292 -0.0759954 -0.1496562 0.0887800 3.8296093 0.4525673 -0.4962782 0.5139362 5.0883358 4 La 4.4918292 -0.0759954 -0.1496562 0.0887800 3.8296093 0.4525673 -0.4962782 0.5139362 5.0883358 5 Re 2.6873793 0.5581815 -0.5095811 2.2218084 2.6699743 0.4361717 0.3018149 0.1541802 1.1535713 6 Re 2.6873793 -0.5581815 -0.5095811 -2.2218084 2.6699743 -0.4361717 0.3018149 -0.1541802 1.1535713 7 Re 2.6873793 -0.5581815 -0.5095811 -2.2218084 2.6699743 -0.4361717 0.3018149 -0.1541802 1.1535713 8 Re 2.6873793 0.5581815 -0.5095811 2.2218084 2.6699743 0.4361717 0.3018149 0.1541802 1.1535713 9 N -4.6532209 -0.3630828 -0.8910932 -1.0036804 -0.9012529 0.0723890 -0.7556396 0.1746452 -0.9764176 10 N -1.2898081 0.1930656 0.8792803 0.5005923 -3.9301506 -0.0512690 0.8175597 0.1916173 -2.6217197 11 N -4.6532209 0.3630828 -0.8910932 1.0036804 -0.9012529 -0.0723890 -0.7556396 -0.1746452 -0.9764176 12 N -1.2361795 0.0462444 0.6710502 -0.6640403 -1.6681802 -0.3892283 0.1325433 -0.1295050 -2.6437699 13 N -4.6532209 0.3630828 -0.8910932 1.0036804 -0.9012529 -0.0723890 -0.7556396 -0.1746452 -0.9764176 14 N -1.2361795 0.0462444 0.6710502 -0.6640403 -1.6681802 -0.3892283 0.1325433 -0.1295050 -2.6437699 15 N -1.2361795 -0.0462444 0.6710502 0.6640403 -1.6681802 0.3892283 0.1325433 0.1295050 -2.6437699 16 N -1.2898081 0.1930656 0.8792803 0.5005923 -3.9301506 -0.0512690 0.8175597 0.1916173 -2.6217197 17 N -1.2361795 -0.0462444 0.6710502 0.6640403 -1.6681802 0.3892283 0.1325433 0.1295050 -2.6437699 18 N -4.6532209 -0.3630828 -0.8910932 -1.0036804 -0.9012529 0.0723890 -0.7556396 0.1746452 -0.9764176 19 N -1.2898081 -0.1930656 0.8792803 -0.5005923 -3.9301506 0.0512690 0.8175597 -0.1916173 -2.6217197 20 N -1.2898081 -0.1930656 0.8792803 -0.5005923 -3.9301506 0.0512690 0.8175597 -0.1916173 -2.6217197 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 287, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.737 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 4.215 ( 0.000 0.000 0.000) 0.000 4.407 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.607 ( 0.000 0.000 0.000) 0.000 5.750 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 6.352 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 7.256 ( 0.000 0.000 0.000) 0.000 7.908 ( 0.000 0.000 0.000) 0.000 8.293 ( 0.000 0.000 0.000) 0.000 8.557 ( 0.000 0.000 0.000) 0.000 8.635 ( 0.000 0.000 0.000) 0.000 8.764 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 10.135 ( 0.000 0.000 0.000) 0.000 10.287 ( 0.000 0.000 0.000) 0.000 10.300 ( 0.000 0.000 0.000) 0.000 11.979 ( 0.000 0.000 0.000) 0.000 12.024 ( 0.000 0.000 0.000) 0.000 12.464 ( 0.000 0.000 0.000) 0.000 13.175 ( 0.000 0.000 0.000) 0.000 13.986 ( 0.000 0.000 0.000) 0.000 14.643 ( 0.000 0.000 0.000) 0.000 15.561 ( 0.000 0.000 0.000) 0.000 15.621 ( 0.000 0.000 0.000) 0.000 17.488 ( 0.000 0.000 0.000) 0.000 17.534 ( 0.000 0.000 0.000) 0.000 19.079 ( 0.000 0.000 0.000) 0.000 19.347 ( 0.000 0.000 0.000) 0.000 19.784 ( 0.000 0.000 0.000) 0.000 20.100 ( 0.000 0.000 0.000) 0.000 20.775 ( 0.000 0.000 0.000) 0.000 20.894 ( 0.000 0.000 0.000) 0.000 21.751 ( 0.000 0.000 0.000) 0.000 21.993 ( 0.000 0.000 0.000) 0.000 22.429 ( 0.000 0.000 0.000) 0.000 22.812 ( 0.000 0.000 0.000) 0.000 28.166 ( 0.000 0.000 0.000) 0.000 28.343 ( 0.000 0.000 0.000) 0.000 29.443 ( 0.000 0.000 0.000) 0.000 29.731 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( 17.509 0.000 -3.708) 17.897 0.397 ( 17.183 0.000 6.678) 18.435 0.998 ( 45.506 0.000 14.853) 47.869 1.750 ( 8.169 0.000 -11.482) 14.092 1.912 ( 3.837 0.000 -9.106) 9.882 2.156 ( 0.993 0.000 12.159) 12.200 2.310 ( -6.896 0.000 -9.399) 11.657 3.159 ( 2.074 0.000 3.476) 4.048 3.454 ( -11.565 0.000 -1.217) 11.628 3.470 ( 2.963 0.000 2.516) 3.887 3.756 ( -4.303 0.000 -6.179) 7.530 3.851 ( 0.910 0.000 2.289) 2.463 3.867 ( -4.106 0.000 -0.365) 4.123 3.956 ( 0.208 0.000 -3.031) 3.038 4.367 ( 6.354 0.000 6.509) 9.096 4.402 ( -5.600 0.000 7.909) 9.691 4.837 ( -3.673 0.000 -19.058) 19.409 5.269 ( -10.895 0.000 17.449) 20.571 5.422 ( 1.838 0.000 11.995) 12.135 5.476 ( -11.030 0.000 -1.150) 11.090 5.591 ( -2.962 0.000 6.570) 7.207 5.760 ( 1.845 0.000 -0.987) 2.093 5.786 ( 5.867 0.000 -8.050) 9.961 5.947 ( -1.317 0.000 1.997) 2.392 6.368 ( 2.070 0.000 -1.038) 2.316 6.435 ( -3.083 0.000 0.781) 3.181 7.239 ( -1.918 0.000 0.111) 1.921 7.891 ( -1.396 0.000 -0.840) 1.629 8.304 ( 0.818 0.000 0.837) 1.170 8.581 ( 2.523 0.000 0.043) 2.523 8.644 ( 1.277 0.000 -0.451) 1.354 8.897 ( 2.141 0.000 -1.427) 2.573 9.828 ( -1.147 0.000 2.480) 2.732 10.082 ( -5.072 0.000 -0.131) 5.074 10.260 ( -1.957 0.000 -1.608) 2.533 10.365 ( 0.879 0.000 1.238) 1.518 11.984 ( -0.426 0.000 1.552) 1.609 12.029 ( 1.657 0.000 -1.735) 2.399 12.570 ( 9.059 0.000 3.602) 9.749 13.470 ( -9.689 0.000 6.551) 11.696 13.995 ( 4.520 0.000 -7.334) 8.615 14.651 ( -0.791 0.000 2.476) 2.599 15.559 ( -1.558 0.000 1.575) 2.216 15.622 ( -0.362 0.000 0.662) 0.755 17.485 ( -0.097 0.000 -0.341) 0.355 17.535 ( 0.082 0.000 -0.062) 0.103 19.092 ( 0.895 0.000 0.931) 1.291 19.333 ( -1.283 0.000 -0.432) 1.354 19.778 ( -0.361 0.000 -0.431) 0.562 20.108 ( 0.673 0.000 0.304) 0.738 20.783 ( -0.260 0.000 1.558) 1.580 21.077 ( -11.597 0.000 13.319) 17.660 21.666 ( -7.109 0.000 2.006) 7.387 22.121 ( 8.544 0.000 3.224) 9.132 22.304 ( -9.716 0.000 -2.979) 10.162 22.829 ( -2.379 0.000 3.713) 4.410 28.403 ( 9.497 0.000 -3.993) 10.303 29.425 ( -1.588 0.000 -0.537) 1.676 29.716 ( -0.054 0.000 -2.992) 2.992 30.322 ( 22.582 0.000 -35.880) 42.394 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 15.924 0.000 -0.203) 15.925 0.737 ( 13.229 0.000 5.218) 14.221 1.775 ( 11.063 0.000 -16.790) 20.107 1.842 ( 22.562 0.000 1.015) 22.585 2.015 ( 27.938 0.000 1.832) 27.998 2.080 ( -4.435 0.000 -12.441) 13.208 2.266 ( -3.211 0.000 11.200) 11.651 3.012 ( -13.950 0.000 -8.143) 16.153 3.373 ( -4.432 0.000 9.382) 10.376 3.558 ( 2.550 0.000 2.775) 3.768 3.661 ( 1.557 0.000 -3.169) 3.531 3.789 ( -4.215 0.000 0.438) 4.238 3.885 ( 0.237 0.000 0.905) 0.936 3.919 ( -0.549 0.000 -2.208) 2.275 4.361 ( -6.748 0.000 -3.947) 7.818 4.367 ( -9.229 0.000 10.479) 13.964 4.807 ( 13.515 0.000 -6.431) 14.967 5.213 ( -12.635 0.000 0.282) 12.638 5.269 ( -6.120 0.000 3.328) 6.967 5.450 ( -12.821 0.000 12.408) 17.842 5.608 ( -1.527 0.000 2.223) 2.697 5.762 ( -3.054 0.000 0.661) 3.125 5.815 ( 5.866 0.000 0.016) 5.866 5.977 ( 7.694 0.000 -8.174) 11.225 6.380 ( -4.007 0.000 1.062) 4.146 6.394 ( 1.706 0.000 -0.740) 1.860 7.195 ( -2.913 0.000 0.128) 2.915 7.846 ( -1.968 0.000 -1.436) 2.436 8.341 ( 2.092 0.000 1.199) 2.411 8.637 ( 3.133 0.000 0.181) 3.138 8.668 ( 2.037 0.000 -0.763) 2.175 8.919 ( 1.780 0.000 -1.392) 2.260 9.843 ( -1.095 0.000 4.320) 4.456 9.977 ( -5.890 0.000 -0.169) 5.892 10.187 ( -3.358 0.000 -2.916) 4.447 10.389 ( 0.612 0.000 0.447) 0.758 11.995 ( -0.364 0.000 1.750) 1.787 12.049 ( 2.815 0.000 -2.154) 3.544 12.825 ( 12.896 0.000 5.130) 13.879 13.335 ( -6.946 0.000 -2.773) 7.479 13.997 ( 0.642 0.000 -1.126) 1.296 14.657 ( -2.376 0.000 3.590) 4.305 15.546 ( -1.086 0.000 0.577) 1.230 15.623 ( -0.409 0.000 0.864) 0.956 17.478 ( -0.142 0.000 -0.479) 0.499 17.535 ( 0.074 0.000 -0.144) 0.162 19.126 ( 1.333 0.000 1.413) 1.943 19.295 ( -2.155 0.000 -0.675) 2.258 19.764 ( -0.456 0.000 -0.633) 0.780 20.131 ( 1.348 0.000 0.523) 1.446 20.784 ( -1.766 0.000 1.521) 2.331 20.993 ( -6.790 0.000 2.727) 7.317 21.587 ( -4.869 0.000 3.366) 5.919 22.094 ( -9.670 0.000 -1.548) 9.793 22.301 ( 6.846 0.000 3.516) 7.696 22.770 ( -7.025 0.000 1.564) 7.197 28.606 ( 16.492 0.000 -1.881) 16.599 29.383 ( -2.148 0.000 -0.666) 2.249 29.654 ( -1.869 0.000 -6.100) 6.379 30.348 ( 9.954 0.000 -14.161) 17.309 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 9.544 0.000 0.890) 9.585 0.961 ( 6.902 0.000 2.502) 7.342 1.782 ( 5.941 0.000 -10.308) 11.898 1.925 ( 2.429 0.000 -12.402) 12.637 2.004 ( 11.919 0.000 -7.708) 14.194 2.256 ( -8.293 0.000 8.217) 11.674 2.659 ( -14.692 0.000 -4.757) 15.443 2.743 ( 33.064 0.000 7.448) 33.892 3.421 ( 0.650 0.000 5.787) 5.823 3.570 ( -4.074 0.000 -0.042) 4.074 3.691 ( 1.912 0.000 -0.071) 1.913 3.730 ( -3.974 0.000 2.115) 4.501 3.884 ( -0.675 0.000 -0.128) 0.687 3.908 ( 1.062 0.000 -0.686) 1.264 4.227 ( -2.528 0.000 -3.417) 4.251 4.308 ( -7.424 0.000 7.345) 10.443 4.957 ( -11.721 0.000 -1.853) 11.867 4.990 ( 12.202 0.000 -5.148) 13.244 5.232 ( -2.174 0.000 0.880) 2.345 5.298 ( -16.508 0.000 11.180) 19.938 5.559 ( -3.505 0.000 -1.242) 3.719 5.722 ( -2.450 0.000 1.700) 2.982 5.971 ( 9.638 0.000 1.672) 9.782 6.023 ( 5.910 0.000 -6.624) 8.877 6.305 ( -5.538 0.000 0.084) 5.539 6.412 ( 0.850 0.000 -0.219) 0.878 7.148 ( -2.181 0.000 0.093) 2.183 7.799 ( -1.449 0.000 -1.189) 1.874 8.395 ( 2.251 0.000 0.897) 2.424 8.681 ( 1.147 0.000 0.572) 1.282 8.700 ( 2.393 0.000 -0.992) 2.590 8.927 ( 0.553 0.000 -0.924) 1.077 9.885 ( -3.867 0.000 -0.113) 3.868 9.886 ( 0.334 0.000 4.992) 5.003 10.087 ( -3.476 0.000 -3.863) 5.196 10.398 ( 0.133 0.000 0.134) 0.189 12.005 ( -0.202 0.000 1.027) 1.047 12.079 ( 2.352 0.000 -1.278) 2.677 13.087 ( 9.645 0.000 3.604) 10.296 13.193 ( -4.293 0.000 -3.500) 5.538 13.994 ( -0.345 0.000 0.165) 0.382 14.640 ( -2.960 0.000 2.558) 3.912 15.535 ( -0.588 0.000 0.248) 0.638 15.626 ( -0.157 0.000 0.567) 0.589 17.471 ( -0.106 0.000 -0.336) 0.353 17.534 ( 0.025 0.000 -0.139) 0.141 19.162 ( 1.001 0.000 1.072) 1.466 19.251 ( -1.783 0.000 -0.523) 1.858 19.751 ( -0.289 0.000 -0.464) 0.547 20.162 ( 1.349 0.000 0.432) 1.417 20.752 ( -2.536 0.000 0.443) 2.574 20.912 ( -3.587 0.000 0.236) 3.594 21.555 ( -2.330 0.000 2.274) 3.256 21.952 ( -5.201 0.000 0.167) 5.203 22.426 ( 3.514 0.000 2.183) 4.137 22.648 ( -5.790 0.000 -0.736) 5.837 28.926 ( 16.874 0.000 4.132) 17.373 29.343 ( -1.463 0.000 -0.419) 1.521 29.508 ( -5.981 0.000 -8.414) 10.323 30.371 ( 4.316 0.000 -5.625) 7.090 ======================= Grid point 4 (5/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.000 0.000 0.000) 0.000 1.035 ( 0.000 0.000 0.000) 0.000 1.778 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 -0.000) 0.000 2.114 ( -0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 -0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.707 ( -0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 3.921 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.828 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 -0.000) 0.000 5.143 ( -0.000 0.000 0.000) 0.000 5.215 ( 0.000 0.000 -0.000) 0.000 5.510 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 6.041 ( 0.000 0.000 0.000) 0.000 6.131 ( -0.000 0.000 -0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 6.418 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.779 ( 0.000 0.000 0.000) 0.000 8.423 ( 0.000 0.000 0.000) 0.000 8.694 ( 0.000 0.000 -0.000) 0.000 8.718 ( 0.000 0.000 0.000) 0.000 8.926 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 9.939 ( -0.000 0.000 -0.000) 0.000 10.010 ( 0.000 0.000 0.000) 0.000 10.399 ( 0.000 0.000 0.000) 0.000 12.009 ( 0.000 0.000 0.000) 0.000 12.095 ( 0.000 0.000 0.000) 0.000 13.132 ( 0.000 0.000 0.000) 0.000 13.200 ( 0.000 0.000 0.000) 0.000 13.991 ( 0.000 0.000 0.000) 0.000 14.623 ( 0.000 0.000 0.000) 0.000 15.531 ( 0.000 0.000 0.000) 0.000 15.628 ( 0.000 0.000 0.000) 0.000 17.468 ( 0.000 0.000 0.000) 0.000 17.534 ( 0.000 0.000 0.000) 0.000 19.178 ( 0.000 0.000 0.000) 0.000 19.230 ( 0.000 0.000 0.000) 0.000 19.746 ( 0.000 0.000 0.000) 0.000 20.178 ( 0.000 0.000 0.000) 0.000 20.727 ( 0.000 0.000 0.000) 0.000 20.880 ( 0.000 0.000 0.000) 0.000 21.547 ( 0.000 0.000 0.000) 0.000 21.908 ( 0.000 0.000 0.000) 0.000 22.469 ( 0.000 0.000 0.000) 0.000 22.587 ( 0.000 0.000 0.000) 0.000 29.241 ( 0.000 0.000 0.000) 0.000 29.275 ( -0.000 0.000 -0.000) 0.000 29.327 ( 0.000 0.000 0.000) 0.000 30.380 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/105) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 0.000 18.305 0.000) 18.305 0.533 ( 0.000 25.018 0.000) 25.018 1.086 ( 0.000 45.411 0.000) 45.411 1.740 ( 0.000 3.150 0.000) 3.150 2.058 ( 0.000 6.920 0.000) 6.920 2.169 ( 0.000 14.559 0.000) 14.559 2.642 ( 0.000 -3.408 0.000) 3.408 3.092 ( 0.000 0.968 0.000) 0.968 3.389 ( 0.000 -3.381 0.000) 3.381 3.613 ( 0.000 -9.689 0.000) 9.689 3.784 ( 0.000 -3.536 0.000) 3.536 3.790 ( 0.000 -2.206 0.000) 2.206 3.952 ( 0.000 3.232 0.000) 3.232 4.146 ( 0.000 -4.611 0.000) 4.611 4.153 ( 0.000 8.610 0.000) 8.610 4.433 ( 0.000 1.194 0.000) 1.194 4.715 ( 0.000 -2.712 0.000) 2.712 5.063 ( 0.000 -10.016 0.000) 10.016 5.107 ( 0.000 -2.823 0.000) 2.823 5.361 ( 0.000 0.463 0.000) 0.463 5.513 ( 0.000 -5.344 0.000) 5.344 5.606 ( 0.000 -0.069 0.000) 0.069 5.916 ( 0.000 3.502 0.000) 3.502 6.002 ( 0.000 4.231 0.000) 4.231 6.392 ( 0.000 4.041 0.000) 4.041 6.505 ( 0.000 5.408 0.000) 5.408 7.339 ( 0.000 7.254 0.000) 7.254 7.955 ( 0.000 4.210 0.000) 4.210 8.354 ( 0.000 5.072 0.000) 5.072 8.534 ( 0.000 -5.006 0.000) 5.006 8.654 ( 0.000 8.084 0.000) 8.084 8.935 ( 0.000 10.930 0.000) 10.930 10.019 ( 0.000 -8.763 0.000) 8.763 10.158 ( 0.000 -9.011 0.000) 9.011 10.436 ( 0.000 9.807 0.000) 9.807 10.451 ( 0.000 11.891 0.000) 11.891 11.949 ( 0.000 -2.345 0.000) 2.345 12.074 ( 0.000 3.033 0.000) 3.033 12.446 ( 0.000 -1.438 0.000) 1.438 13.183 ( 0.000 -0.844 0.000) 0.844 14.028 ( 0.000 4.947 0.000) 4.947 14.694 ( 0.000 1.842 0.000) 1.842 15.680 ( 0.000 10.926 0.000) 10.926 16.544 ( 0.000 5.031 0.000) 5.031 17.497 ( 0.000 0.884 0.000) 0.884 17.548 ( 0.000 1.264 0.000) 1.264 19.073 ( 0.000 -0.501 0.000) 0.501 19.355 ( 0.000 0.406 0.000) 0.406 19.698 ( 0.000 -7.847 0.000) 7.847 19.938 ( 0.000 -13.633 0.000) 13.633 20.922 ( 0.000 0.520 0.000) 0.520 21.696 ( 0.000 -8.386 0.000) 8.386 21.696 ( 0.000 -7.668 0.000) 7.668 22.079 ( 0.000 4.948 0.000) 4.948 22.397 ( 0.000 -3.097 0.000) 3.097 22.803 ( 0.000 -0.956 0.000) 0.956 28.199 ( 0.000 3.137 0.000) 3.137 28.391 ( 0.000 1.482 0.000) 1.482 29.405 ( 0.000 -3.663 0.000) 3.663 29.648 ( 0.000 -7.583 0.000) 7.583 ======================= Grid point 10 (7/105) ======================= q-point: ( 0.12 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 6.434 21.604 0.030) 22.542 0.879 ( 24.642 14.484 6.898) 29.404 1.266 ( 18.979 28.948 7.282) 35.373 1.776 ( 9.233 6.169 -8.526) 14.000 1.980 ( -0.177 5.872 -6.915) 9.073 2.243 ( -0.547 9.523 2.304) 9.813 2.473 ( -6.276 7.554 -5.236) 11.130 3.172 ( 1.672 0.234 4.987) 5.265 3.421 ( -0.211 -4.169 3.346) 5.350 3.480 ( -9.883 0.493 -2.617) 10.235 3.642 ( -5.095 -9.312 -3.431) 11.156 3.764 ( -0.166 -1.374 -6.038) 6.194 3.930 ( -1.709 3.415 2.167) 4.390 4.049 ( -4.163 3.032 0.264) 5.157 4.245 ( -1.758 -4.978 5.145) 7.372 4.435 ( 3.023 1.717 6.763) 7.604 4.773 ( -4.314 -6.604 -14.543) 16.545 5.138 ( 2.912 -7.963 14.364) 16.680 5.287 ( 11.431 -13.617 -4.186) 18.265 5.380 ( -4.946 -5.453 8.843) 11.506 5.551 ( 1.363 -4.017 4.526) 6.203 5.572 ( 1.638 -0.847 -2.762) 3.321 5.844 ( -5.006 4.061 0.252) 6.451 6.047 ( 4.010 9.694 -1.351) 10.578 6.269 ( -6.558 -2.201 -0.608) 6.944 6.628 ( 6.321 10.532 0.637) 12.300 7.321 ( -2.072 7.149 0.309) 7.450 7.934 ( -1.609 3.894 -1.018) 4.335 8.353 ( -0.425 4.417 0.777) 4.505 8.569 ( 1.002 -5.990 1.498) 6.256 8.672 ( 2.837 8.301 0.238) 8.776 8.970 ( 4.021 9.964 -0.871) 10.780 9.952 ( -6.121 -6.228 -0.632) 8.755 10.139 ( -2.941 -7.404 -0.447) 7.980 10.268 ( -6.874 17.593 -2.551) 19.060 10.483 ( -0.552 8.998 0.687) 9.041 11.943 ( -0.300 -2.374 0.195) 2.401 12.078 ( 0.908 2.923 -0.683) 3.136 12.548 ( 8.221 -1.896 4.220) 9.433 13.249 ( 3.287 -8.212 -0.458) 8.857 14.031 ( -0.299 4.830 0.878) 4.918 14.693 ( -1.332 2.277 1.957) 3.284 15.680 ( -0.375 11.363 0.746) 11.393 16.231 ( -17.346 24.563 -8.275) 31.188 17.494 ( -0.146 0.911 -0.208) 0.945 17.548 ( 0.015 1.220 -0.017) 1.220 19.082 ( 0.627 -0.698 0.825) 1.249 19.351 ( -0.417 1.185 -0.415) 1.323 19.686 ( -1.079 -8.225 -0.153) 8.296 19.944 ( 0.666 -13.807 0.063) 13.823 20.867 ( -3.311 1.020 -2.001) 4.000 21.343 ( -20.133 8.574 -4.944) 22.434 21.640 ( -6.898 -1.592 4.949) 8.638 22.091 ( 0.820 -0.208 5.267) 5.335 22.325 ( -4.526 0.659 -1.343) 4.767 22.800 ( -2.758 -2.732 1.866) 4.307 28.413 ( 9.145 0.853 -3.298) 9.758 29.091 ( 45.506 -39.482 -0.037) 60.246 29.446 ( 7.589 -9.967 4.363) 13.266 29.636 ( -0.090 -7.595 -2.559) 8.015 ======================= Grid point 11 (8/105) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 10.622 15.560 -0.251) 18.841 1.208 ( 10.689 29.142 2.730) 31.160 1.722 ( 15.872 -3.599 -8.938) 18.568 1.912 ( 8.510 3.890 -4.037) 10.190 2.023 ( 14.107 3.923 -2.577) 14.867 2.146 ( 6.946 9.463 -3.988) 12.398 2.444 ( -2.203 12.898 5.109) 14.047 3.038 ( -14.562 1.978 -7.703) 16.592 3.346 ( -4.496 -2.432 7.964) 9.463 3.513 ( 3.083 -4.010 0.888) 5.135 3.583 ( 0.833 -5.908 0.922) 6.038 3.724 ( 0.667 -4.622 -2.725) 5.406 3.897 ( -4.645 3.632 2.372) 6.355 4.007 ( -1.119 2.879 0.785) 3.187 4.233 ( -5.549 -6.631 5.443) 10.217 4.404 ( -8.246 0.268 -1.598) 8.403 4.764 ( 12.474 -3.899 -4.449) 13.805 5.181 ( -6.227 -2.949 1.336) 7.018 5.230 ( -7.082 -3.786 1.415) 8.154 5.340 ( -10.663 -8.579 9.277) 16.534 5.606 ( 0.406 -0.918 -0.149) 1.015 5.671 ( 6.882 -12.910 -1.094) 14.671 5.785 ( -2.225 3.838 0.112) 4.437 6.135 ( 6.363 16.328 -1.977) 17.635 6.173 ( -1.993 -7.698 -0.367) 7.960 6.705 ( 1.724 15.653 0.605) 15.759 7.278 ( -2.720 7.231 0.098) 7.727 7.884 ( -2.223 3.335 -1.523) 4.288 8.362 ( 0.477 2.487 0.935) 2.699 8.578 ( -0.451 -5.660 0.453) 5.696 8.754 ( 4.774 9.044 0.690) 10.250 9.039 ( 4.466 9.969 -1.302) 11.001 9.840 ( -5.609 -4.505 0.894) 7.249 10.037 ( -7.053 -0.945 0.452) 7.131 10.188 ( -1.536 8.990 -1.720) 9.281 10.473 ( -0.672 7.637 0.135) 7.668 11.949 ( 0.346 -2.932 0.637) 3.021 12.092 ( 1.661 2.599 -1.068) 3.264 12.790 ( 11.592 -3.093 5.698) 13.282 13.229 ( -1.961 -8.205 -4.427) 9.527 14.034 ( -0.642 4.647 1.165) 4.834 14.686 ( -2.359 2.404 2.748) 4.347 15.682 ( -0.539 12.443 1.227) 12.515 15.948 ( -7.654 23.240 -3.618) 24.734 17.488 ( -0.166 0.969 -0.376) 1.052 17.548 ( -0.005 1.147 -0.082) 1.150 19.111 ( 1.175 -1.177 1.325) 2.126 19.328 ( -1.379 2.867 -0.653) 3.248 19.664 ( -0.857 -8.948 -0.412) 8.999 19.962 ( 0.925 -14.497 0.379) 14.532 20.806 ( -2.427 -0.817 0.384) 2.589 21.047 ( -10.419 3.081 -2.674) 11.189 21.590 ( -4.588 1.127 5.022) 6.895 22.065 ( -6.183 -2.011 0.740) 6.543 22.334 ( 3.641 2.400 2.186) 4.878 22.725 ( -6.770 -4.231 0.828) 8.026 28.604 ( 15.307 -0.257 -1.976) 15.436 29.314 ( 1.264 -6.515 -1.813) 6.879 29.577 ( -2.100 -7.016 -5.179) 8.969 29.860 ( 20.238 -33.755 -1.522) 39.386 ======================= Grid point 12 (9/105) ======================= q-point: ( 0.38 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 7.305 10.332 0.102) 12.654 1.366 ( 5.001 26.390 0.164) 26.860 1.789 ( 6.949 2.362 -7.984) 10.845 1.901 ( 2.634 -0.896 -10.642) 11.000 2.069 ( 7.810 6.568 -4.197) 11.034 2.386 ( -4.602 9.085 2.580) 10.506 2.650 ( -2.343 0.246 1.179) 2.634 2.741 ( 13.938 0.947 2.254) 14.151 3.384 ( 0.960 -3.751 4.217) 5.725 3.515 ( -4.568 -4.574 -0.486) 6.483 3.624 ( 1.214 -5.285 1.550) 5.640 3.724 ( 1.811 -1.535 -1.802) 2.980 3.843 ( -4.760 0.779 4.325) 6.478 4.017 ( 0.913 3.748 0.777) 3.935 4.174 ( -3.763 -3.912 0.124) 5.430 4.275 ( -5.982 -1.797 2.384) 6.686 4.907 ( 2.075 -2.790 -2.241) 4.137 5.023 ( -0.382 1.352 -3.411) 3.689 5.190 ( -1.837 -3.844 0.678) 4.314 5.229 ( -11.797 -5.912 8.843) 15.885 5.567 ( -2.902 0.439 -1.574) 3.330 5.742 ( -2.617 1.574 1.063) 3.234 5.785 ( 8.094 -11.088 -2.134) 13.892 6.060 ( -5.686 -6.085 -0.896) 8.376 6.317 ( 9.842 14.828 -0.768) 17.814 6.706 ( -2.126 17.319 0.561) 17.458 7.235 ( -1.804 7.737 -0.125) 7.946 7.832 ( -1.642 2.979 -1.150) 3.591 8.387 ( 1.143 0.302 0.558) 1.308 8.575 ( -0.270 -6.580 0.321) 6.594 8.834 ( 3.225 11.352 0.270) 11.805 9.093 ( 2.804 11.622 -1.034) 12.000 9.780 ( -2.591 -6.022 1.553) 6.737 9.924 ( -5.559 -3.503 0.285) 6.577 10.148 ( -1.070 9.527 -1.197) 9.661 10.465 ( -0.329 6.360 0.019) 6.369 11.963 ( 0.360 -3.051 0.684) 3.147 12.112 ( 1.586 2.186 -0.835) 2.827 13.033 ( 8.337 -4.693 4.002) 10.370 13.130 ( -2.619 -6.414 -4.162) 8.082 14.033 ( -0.567 4.649 0.759) 4.744 14.666 ( -2.413 2.563 1.878) 3.989 15.686 ( -0.400 13.541 0.960) 13.581 15.839 ( -2.605 17.859 -1.162) 18.085 17.482 ( -0.113 1.022 -0.280) 1.065 17.546 ( -0.025 1.093 -0.098) 1.097 19.144 ( 0.919 -1.503 1.009) 2.030 19.295 ( -1.396 4.037 -0.485) 4.299 19.650 ( -0.243 -9.058 -0.426) 9.071 19.982 ( 0.714 -15.599 0.456) 15.622 20.778 ( -1.442 -0.798 0.783) 1.825 20.879 ( -5.654 -2.051 -2.164) 6.392 21.575 ( -2.071 2.664 2.908) 4.455 21.986 ( -3.365 2.268 1.669) 4.388 22.387 ( 0.152 -3.428 -0.763) 3.515 22.626 ( -3.529 -1.981 0.779) 4.121 28.897 ( 15.927 -2.806 2.962) 16.442 29.304 ( -0.524 -3.377 -0.480) 3.451 29.440 ( -6.013 -6.208 -7.177) 11.234 30.074 ( 7.584 -24.885 -1.983) 26.090 ======================= Grid point 13 (10/105) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.000 8.264 0.000) 8.264 1.404 ( 0.000 22.811 0.000) 22.811 1.817 ( 0.000 6.300 0.000) 6.300 1.869 ( 0.000 -0.049 -0.000) 0.049 2.144 ( -0.000 4.187 0.000) 4.187 2.330 ( 0.000 11.185 -0.000) 11.185 2.504 ( 0.000 1.797 0.000) 1.797 3.078 ( 0.000 -8.749 0.000) 8.749 3.396 ( 0.000 -3.956 0.000) 3.956 3.429 ( 0.000 -4.256 0.000) 4.256 3.646 ( 0.000 -5.296 0.000) 5.296 3.735 ( 0.000 3.084 0.000) 3.084 3.820 ( 0.000 -2.911 0.000) 2.911 4.036 ( 0.000 5.825 0.000) 5.825 4.132 ( 0.000 -4.815 0.000) 4.815 4.237 ( 0.000 -1.713 0.000) 1.713 4.847 ( 0.000 2.306 0.000) 2.306 5.109 ( 0.000 -3.503 -0.000) 3.503 5.116 ( -0.000 -1.709 0.000) 1.709 5.178 ( 0.000 -3.786 -0.000) 3.786 5.520 ( 0.000 0.760 0.000) 0.760 5.720 ( 0.000 0.955 0.000) 0.955 5.890 ( -0.000 -10.664 0.000) 10.664 5.966 ( 0.000 -7.466 0.000) 7.466 6.420 ( -0.000 16.159 0.000) 16.159 6.675 ( 0.000 17.351 0.000) 17.351 7.218 ( 0.000 8.036 0.000) 8.036 7.810 ( 0.000 2.880 0.000) 2.880 8.402 ( 0.000 -0.687 0.000) 0.687 8.575 ( 0.000 -6.891 0.000) 6.891 8.866 ( 0.000 12.341 0.000) 12.341 9.113 ( 0.000 12.737 0.000) 12.737 9.770 ( 0.000 -6.199 0.000) 6.199 9.869 ( -0.000 -6.150 0.000) 6.150 10.131 ( 0.000 10.573 0.000) 10.573 10.462 ( 0.000 5.925 0.000) 5.925 11.971 ( 0.000 -2.966 0.000) 2.966 12.124 ( 0.000 1.988 0.000) 1.988 13.078 ( 0.000 -5.724 0.000) 5.724 13.136 ( 0.000 -5.713 0.000) 5.713 14.031 ( 0.000 4.727 0.000) 4.727 14.652 ( 0.000 2.809 0.000) 2.809 15.688 ( 0.000 13.999 0.000) 13.999 15.812 ( 0.000 16.000 0.000) 16.000 17.479 ( 0.000 1.043 0.000) 1.043 17.545 ( 0.000 1.073 0.000) 1.073 19.159 ( 0.000 -1.618 0.000) 1.618 19.278 ( 0.000 4.404 0.000) 4.404 19.646 ( 0.000 -8.929 0.000) 8.929 19.992 ( 0.000 -16.207 0.000) 16.207 20.774 ( 0.000 3.596 0.000) 3.596 20.809 ( 0.000 -7.591 0.000) 7.591 21.573 ( 0.000 3.185 0.000) 3.185 21.970 ( 0.000 4.851 0.000) 4.851 22.365 ( 0.000 -8.252 0.000) 8.252 22.610 ( 0.000 0.706 0.000) 0.706 29.188 ( 0.000 -7.646 0.000) 7.646 29.212 ( -0.000 -2.738 -0.000) 2.738 29.303 ( 0.000 -2.156 0.000) 2.156 30.127 ( 0.000 -22.047 0.000) 22.047 ======================= Grid point 18 (11/105) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 0.000 17.805 0.000) 17.805 1.029 ( 0.000 21.873 0.000) 21.873 1.511 ( 0.000 1.807 0.000) 1.807 2.199 ( 0.000 4.695 0.000) 4.695 2.232 ( 0.000 33.774 0.000) 33.774 2.503 ( 0.000 14.919 0.000) 14.919 2.571 ( 0.000 0.771 0.000) 0.771 3.123 ( 0.000 2.485 0.000) 2.485 3.301 ( 0.000 -4.443 0.000) 4.443 3.406 ( 0.000 -9.409 0.000) 9.409 3.731 ( 0.000 -3.124 0.000) 3.124 3.735 ( 0.000 -1.298 0.000) 1.298 4.013 ( 0.000 0.659 0.000) 0.659 4.110 ( 0.000 3.263 0.000) 3.263 4.286 ( 0.000 3.973 0.000) 3.973 4.434 ( 0.000 -0.966 0.000) 0.966 4.642 ( 0.000 -4.016 0.000) 4.016 4.825 ( 0.000 -12.175 0.000) 12.175 5.029 ( 0.000 -4.630 0.000) 4.630 5.253 ( 0.000 -9.870 0.000) 9.870 5.442 ( 0.000 -1.025 0.000) 1.025 5.605 ( 0.000 -0.001 0.000) 0.001 5.979 ( 0.000 1.441 0.000) 1.441 6.061 ( 0.000 0.687 0.000) 0.687 6.561 ( 0.000 13.296 0.000) 13.296 6.742 ( 0.000 17.289 0.000) 17.289 7.521 ( 0.000 9.402 0.000) 9.402 8.062 ( 0.000 5.208 0.000) 5.208 8.463 ( 0.000 -1.672 0.000) 1.672 8.468 ( 0.000 5.396 0.000) 5.396 8.877 ( 0.000 11.087 0.000) 11.087 9.129 ( 0.000 5.636 0.000) 5.636 9.817 ( 0.000 -9.419 0.000) 9.419 9.935 ( 0.000 -10.822 0.000) 10.822 10.705 ( 0.000 15.535 0.000) 15.535 10.778 ( 0.000 19.042 0.000) 19.042 11.919 ( 0.000 0.055 0.000) 0.055 12.119 ( 0.000 0.681 0.000) 0.681 12.417 ( 0.000 -1.229 0.000) 1.229 13.069 ( 0.000 -10.714 0.000) 10.714 14.232 ( 0.000 14.455 0.000) 14.455 14.758 ( 0.000 4.273 0.000) 4.273 15.979 ( 0.000 16.482 0.000) 16.482 16.672 ( 0.000 6.206 0.000) 6.206 17.528 ( 0.000 2.275 0.000) 2.275 17.584 ( 0.000 2.169 0.000) 2.169 19.059 ( 0.000 -0.953 0.000) 0.953 19.313 ( 0.000 -7.185 0.000) 7.185 19.481 ( 0.000 -12.053 0.000) 12.053 19.641 ( 0.000 -10.978 0.000) 10.978 20.841 ( 0.000 -8.367 0.000) 8.367 21.400 ( 0.000 -15.920 0.000) 15.920 21.646 ( 0.000 0.318 0.000) 0.318 22.177 ( 0.000 4.495 0.000) 4.495 22.300 ( 0.000 -5.968 0.000) 5.968 22.768 ( 0.000 -2.500 0.000) 2.500 28.294 ( 0.000 5.841 0.000) 5.841 28.438 ( 0.000 3.067 0.000) 3.067 29.295 ( 0.000 -6.712 0.000) 6.712 29.437 ( 0.000 -11.920 0.000) 11.920 ======================= Grid point 19 (12/105) ======================= q-point: ( 0.12 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 6.673 17.629 6.955) 20.092 1.104 ( 16.645 12.444 3.726) 21.114 1.555 ( 6.164 2.061 -2.416) 6.934 2.090 ( -6.211 3.878 -5.625) 9.233 2.264 ( 2.340 23.547 -1.523) 23.712 2.477 ( 1.470 17.594 -4.942) 18.334 2.634 ( 3.623 8.524 2.771) 9.668 3.176 ( 1.694 1.047 3.138) 3.716 3.317 ( -0.030 -5.187 1.707) 5.461 3.402 ( -1.075 -7.875 2.881) 8.454 3.529 ( -11.669 0.058 -2.664) 11.969 3.742 ( -1.554 -1.813 -7.665) 8.028 3.981 ( -2.614 -1.022 4.146) 5.007 4.067 ( -4.356 4.295 0.193) 6.121 4.255 ( -6.403 2.963 0.636) 7.084 4.452 ( 6.829 -0.582 3.581) 7.733 4.606 ( -4.756 -8.085 -8.971) 12.980 4.950 ( 12.741 -12.090 -0.045) 17.565 5.050 ( -2.273 -7.605 6.457) 10.233 5.225 ( -4.179 -8.913 1.452) 9.951 5.495 ( 0.411 -1.722 4.182) 4.542 5.578 ( 0.283 0.951 -2.603) 2.786 5.951 ( -2.595 4.045 -0.165) 4.808 6.066 ( -0.320 -2.885 0.392) 2.930 6.502 ( -1.010 19.515 -1.077) 19.571 6.880 ( 9.848 14.571 0.662) 17.599 7.498 ( -2.667 9.003 0.518) 9.404 8.032 ( -2.335 4.676 -1.270) 5.378 8.450 ( -1.143 2.068 0.555) 2.427 8.492 ( 0.630 1.497 1.043) 1.930 8.881 ( 1.206 8.685 0.438) 8.780 9.171 ( 4.369 7.320 -0.573) 8.544 9.789 ( -2.911 -7.479 0.121) 8.026 9.926 ( -1.071 -10.807 -0.447) 10.869 10.660 ( -5.134 19.015 0.014) 19.696 10.745 ( -2.512 16.689 -0.231) 16.879 11.911 ( -0.712 -0.101 0.057) 0.721 12.119 ( 0.650 0.356 -1.002) 1.246 12.506 ( 6.398 -2.030 4.822) 8.265 13.058 ( 0.302 -12.282 -3.188) 12.693 14.230 ( -0.532 14.227 0.671) 14.253 14.761 ( -0.537 4.459 1.321) 4.682 15.989 ( 0.171 16.821 1.441) 16.884 16.571 ( -7.192 10.938 -4.483) 13.837 17.526 ( -0.124 2.302 -0.135) 2.310 17.583 ( -0.134 2.091 0.019) 2.096 19.066 ( 0.668 -0.861 0.292) 1.128 19.324 ( 1.097 -7.460 0.036) 7.540 19.475 ( -1.102 -10.151 0.711) 10.235 19.633 ( -0.464 -12.278 -0.762) 12.311 20.780 ( -4.404 -8.747 -2.180) 10.033 21.280 ( -8.220 -10.734 -6.556) 15.025 21.641 ( -3.299 2.072 5.545) 6.777 22.137 ( -5.866 3.476 1.495) 6.981 22.300 ( 0.652 -3.106 2.813) 4.241 22.726 ( -4.167 -4.067 -1.116) 5.929 28.433 ( 8.087 1.024 -1.210) 8.241 28.659 ( 25.080 -6.620 2.274) 26.038 29.293 ( -0.852 -7.928 1.338) 8.086 29.433 ( 0.168 -10.930 -1.343) 11.013 ======================= Grid point 20 (13/105) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 4.641 17.406 -1.089) 18.047 1.570 ( 16.693 6.345 7.287) 19.287 1.671 ( 11.959 0.008 -5.298) 13.080 1.942 ( -0.717 0.465 -5.403) 5.470 2.216 ( -0.973 9.685 -5.382) 11.123 2.530 ( 7.168 22.298 -4.931) 23.935 2.698 ( 0.211 11.566 4.739) 12.501 3.075 ( -12.530 1.238 -6.234) 14.050 3.280 ( -3.934 -3.762 0.896) 5.517 3.432 ( 1.677 -3.073 2.347) 4.215 3.463 ( -1.105 -3.637 8.903) 9.680 3.645 ( -0.206 -3.256 -4.210) 5.326 3.953 ( -6.171 -3.195 1.940) 7.215 4.014 ( -2.239 4.430 3.787) 6.244 4.182 ( -3.183 0.683 1.837) 3.738 4.378 ( -7.043 -2.648 -5.323) 9.217 4.660 ( 10.275 -5.724 -0.948) 11.800 5.066 ( -1.481 -10.024 3.878) 10.849 5.093 ( 0.238 -7.132 1.239) 7.242 5.158 ( -3.698 -7.552 2.224) 8.698 5.486 ( 0.439 -2.682 -2.104) 3.437 5.597 ( 0.448 -0.301 0.508) 0.741 5.894 ( -3.554 4.404 -0.348) 5.670 6.047 ( -2.186 -2.566 0.199) 3.377 6.553 ( 7.264 21.648 -0.798) 22.848 7.029 ( 5.014 15.778 0.880) 16.579 7.452 ( -2.388 8.380 0.144) 8.715 7.967 ( -2.889 3.979 -1.455) 5.128 8.433 ( -1.503 2.303 0.880) 2.888 8.491 ( -1.582 -0.167 0.635) 1.713 8.954 ( 5.948 6.627 0.948) 8.955 9.248 ( 4.764 8.840 -1.014) 10.093 9.730 ( -3.885 -4.147 0.672) 5.722 9.878 ( -3.643 -9.423 -0.755) 10.131 10.550 ( -5.945 20.953 -0.348) 21.783 10.699 ( -2.726 13.879 0.317) 14.147 11.902 ( -0.501 -0.980 0.585) 1.247 12.125 ( 1.387 0.109 -1.126) 1.790 12.712 ( 8.796 -4.260 6.265) 11.609 13.002 ( -1.493 -13.951 -5.181) 14.956 14.227 ( -0.663 13.789 0.639) 13.820 14.762 ( -1.226 4.947 1.571) 5.334 16.013 ( 0.237 17.674 2.273) 17.821 16.381 ( -7.225 16.691 -4.566) 18.753 17.522 ( -0.163 2.375 -0.238) 2.393 17.580 ( -0.165 1.941 -0.004) 1.948 19.087 ( 1.077 -0.931 0.651) 1.565 19.350 ( 1.808 -7.482 -0.171) 7.699 19.455 ( -1.870 -5.666 0.536) 5.990 19.611 ( -1.051 -15.980 -0.564) 16.025 20.678 ( -4.133 -10.564 -1.715) 11.472 21.049 ( -9.336 -3.976 -4.377) 11.051 21.651 ( -2.440 4.378 5.705) 7.594 22.036 ( -4.916 -0.503 0.287) 4.950 22.373 ( 1.800 0.860 2.664) 3.328 22.607 ( -6.536 -6.488 -0.914) 9.254 28.591 ( 11.879 -1.076 -1.723) 12.051 29.102 ( 18.043 -13.420 -1.414) 22.531 29.300 ( -0.028 -15.541 1.314) 15.596 29.422 ( 1.142 -8.944 -0.218) 9.019 ======================= Grid point 21 (14/105) ======================= q-point: ( 0.38 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 3.931 13.178 -1.524) 13.836 1.636 ( 0.363 2.273 -8.299) 8.613 1.850 ( 7.483 1.629 -0.193) 7.661 1.994 ( 4.199 6.233 -3.005) 8.094 2.293 ( 12.055 9.808 2.626) 15.762 2.510 ( -0.463 6.127 -6.024) 8.605 2.752 ( -14.229 5.391 -3.387) 15.589 2.822 ( 6.026 9.707 4.107) 12.141 3.263 ( 1.045 -7.305 -0.240) 7.383 3.402 ( -7.000 -6.221 0.525) 9.380 3.537 ( -0.872 -1.567 6.003) 6.265 3.648 ( 2.159 -6.520 0.028) 6.869 3.856 ( -5.708 -0.457 1.585) 5.941 4.028 ( -0.742 1.182 3.409) 3.684 4.164 ( -1.122 1.262 -0.470) 1.753 4.254 ( -2.870 -0.051 0.316) 2.887 4.812 ( 7.844 -7.704 -0.336) 11.000 5.043 ( -3.294 -1.461 -0.957) 3.728 5.082 ( -1.468 -3.118 2.378) 4.187 5.112 ( -3.758 -4.355 0.573) 5.781 5.535 ( 6.295 -9.455 -0.740) 11.383 5.574 ( -2.199 0.461 -0.799) 2.385 5.821 ( -3.555 3.161 -0.480) 4.781 5.991 ( -3.786 1.080 -0.385) 3.956 6.700 ( 8.483 19.622 -0.464) 21.382 7.067 ( -1.465 16.876 1.067) 16.973 7.427 ( -0.283 9.472 -0.458) 9.487 7.909 ( -1.880 3.889 -0.862) 4.405 8.419 ( -0.951 1.856 0.661) 2.188 8.468 ( -1.094 -2.690 0.243) 2.914 9.083 ( 6.246 8.994 0.948) 10.991 9.310 ( 3.297 7.892 -1.136) 8.628 9.671 ( -3.621 -2.994 1.176) 4.843 9.790 ( -4.353 -6.337 -0.906) 7.742 10.463 ( -3.219 19.119 -0.180) 19.389 10.659 ( -1.849 12.123 0.218) 12.265 11.905 ( -0.145 -2.168 0.761) 2.303 12.143 ( 1.472 0.464 -0.664) 1.681 12.891 ( 1.942 -12.759 -1.021) 12.946 12.931 ( 1.988 -8.369 1.080) 8.670 14.222 ( -0.334 13.483 0.273) 13.490 14.751 ( -1.254 5.562 0.904) 5.772 16.039 ( 0.141 18.572 1.747) 18.654 16.243 ( -3.807 18.330 -2.395) 18.874 17.517 ( -0.114 2.447 -0.184) 2.457 17.577 ( -0.120 1.843 -0.033) 1.847 19.113 ( 0.861 -1.122 0.592) 1.533 19.380 ( 1.781 -5.339 -0.390) 5.642 19.425 ( -1.646 -3.304 0.130) 3.693 19.587 ( -1.191 -20.032 0.053) 20.068 20.604 ( -2.294 -12.713 -1.209) 12.974 20.883 ( -5.466 -0.805 -1.453) 5.713 21.668 ( -1.070 5.542 3.037) 6.410 22.007 ( -0.001 -0.756 3.245) 3.332 22.310 ( -6.276 -3.136 -5.540) 8.940 22.569 ( 0.282 -3.408 3.158) 4.655 28.810 ( 12.395 -5.478 0.800) 13.576 29.214 ( -2.225 -6.552 -0.061) 6.920 29.265 ( 0.090 -9.908 -5.079) 11.134 29.536 ( 6.598 -21.222 2.056) 22.318 ======================= Grid point 22 (15/105) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -0.000 12.102 0.000) 12.102 1.579 ( 0.000 -1.496 0.000) 1.496 1.912 ( -0.000 3.729 0.000) 3.729 2.029 ( 0.000 7.185 0.000) 7.185 2.435 ( 0.000 20.166 0.000) 20.166 2.501 ( -0.000 1.848 -0.000) 1.848 2.560 ( 0.000 5.815 0.000) 5.815 2.932 ( 0.000 -3.071 0.000) 3.071 3.267 ( -0.000 -8.562 0.000) 8.562 3.309 ( 0.000 -6.265 0.000) 6.265 3.555 ( 0.000 -2.559 -0.000) 2.559 3.679 ( 0.000 -9.986 0.000) 9.986 3.807 ( -0.000 2.807 0.000) 2.807 4.049 ( 0.000 -1.480 0.000) 1.480 4.130 ( 0.000 3.229 -0.000) 3.229 4.254 ( 0.000 2.197 0.000) 2.197 4.931 ( -0.000 -12.348 -0.000) 12.348 4.951 ( 0.000 7.697 0.000) 7.697 5.073 ( 0.000 -5.622 0.000) 5.622 5.090 ( -0.000 -1.032 0.000) 1.032 5.541 ( 0.000 1.582 0.000) 1.582 5.611 ( 0.000 -11.901 0.000) 11.901 5.782 ( 0.000 2.126 0.000) 2.126 5.939 ( 0.000 3.943 0.000) 3.943 6.788 ( 0.000 18.056 0.000) 18.056 7.045 ( 0.000 17.156 0.000) 17.156 7.423 ( 0.000 10.573 0.000) 10.573 7.888 ( 0.000 4.072 0.000) 4.072 8.414 ( 0.000 1.546 0.000) 1.546 8.460 ( 0.000 -3.898 0.000) 3.898 9.154 ( -0.000 12.661 0.000) 12.661 9.335 ( 0.000 5.578 0.000) 5.578 9.639 ( 0.000 -4.510 0.000) 4.510 9.740 ( -0.000 -3.648 0.000) 3.648 10.433 ( 0.000 18.035 0.000) 18.035 10.643 ( 0.000 11.352 0.000) 11.352 11.908 ( 0.000 -2.705 0.000) 2.705 12.154 ( 0.000 0.838 0.000) 0.838 12.859 ( 0.000 -15.435 0.000) 15.435 12.998 ( 0.000 -6.942 0.000) 6.942 14.221 ( 0.000 13.386 0.000) 13.386 14.743 ( 0.000 5.890 0.000) 5.890 16.051 ( 0.000 18.951 0.000) 18.951 16.197 ( 0.000 18.414 0.000) 18.414 17.514 ( 0.000 2.478 0.000) 2.478 17.576 ( 0.000 1.814 0.000) 1.814 19.125 ( 0.000 -1.179 0.000) 1.179 19.399 ( -0.000 6.387 0.000) 6.387 19.407 ( 0.000 -13.112 0.000) 13.112 19.576 ( 0.000 -21.896 0.000) 21.896 20.576 ( 0.000 -13.482 0.000) 13.482 20.827 ( 0.000 0.224 0.000) 0.224 21.674 ( 0.000 5.705 0.000) 5.705 22.074 ( -0.000 4.768 -0.000) 4.768 22.165 ( 0.000 -10.110 0.000) 10.110 22.596 ( 0.000 -1.992 0.000) 1.992 28.986 ( 0.000 -10.868 0.000) 10.868 29.114 ( -0.000 -7.710 0.000) 7.710 29.254 ( 0.000 -2.219 0.000) 2.219 29.609 ( 0.000 -23.100 0.000) 23.100 ======================= Grid point 27 (16/105) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.000 15.908 0.000) 15.908 1.417 ( 0.000 14.538 0.000) 14.538 1.524 ( 0.000 0.771 0.000) 0.771 2.102 ( 0.000 -11.448 0.000) 11.448 2.570 ( 0.000 8.637 0.000) 8.637 2.718 ( 0.000 5.533 0.000) 5.533 2.956 ( 0.000 16.220 0.000) 16.220 3.193 ( 0.000 -4.786 0.000) 4.786 3.260 ( 0.000 4.434 0.000) 4.434 3.272 ( 0.000 7.223 0.000) 7.223 3.670 ( 0.000 -2.751 0.000) 2.751 3.736 ( 0.000 1.141 0.000) 1.141 4.003 ( 0.000 -0.657 0.000) 0.657 4.240 ( 0.000 7.532 0.000) 7.532 4.299 ( 0.000 -3.803 0.000) 3.803 4.412 ( 0.000 -0.401 0.000) 0.401 4.553 ( 0.000 -4.455 0.000) 4.455 4.603 ( 0.000 -7.185 0.000) 7.185 4.917 ( 0.000 -5.837 0.000) 5.837 5.023 ( 0.000 -11.173 0.000) 11.173 5.448 ( 0.000 1.516 0.000) 1.516 5.601 ( 0.000 -0.661 0.000) 0.661 5.973 ( 0.000 -1.263 0.000) 1.263 6.042 ( 0.000 -2.012 0.000) 2.012 6.943 ( 0.000 21.920 0.000) 21.920 7.163 ( 0.000 20.711 0.000) 20.711 7.710 ( 0.000 8.326 0.000) 8.326 8.128 ( 0.000 -0.029 0.000) 0.029 8.468 ( 0.000 2.297 0.000) 2.297 8.574 ( 0.000 4.642 0.000) 4.642 8.997 ( 0.000 -1.590 0.000) 1.590 9.095 ( 0.000 -8.676 0.000) 8.676 9.687 ( 0.000 -1.879 0.000) 1.879 9.780 ( 0.000 -3.410 0.000) 3.410 11.065 ( 0.000 18.329 0.000) 18.329 11.218 ( 0.000 21.963 0.000) 21.963 11.966 ( 0.000 3.346 0.000) 3.346 12.094 ( 0.000 -1.862 0.000) 1.862 12.384 ( 0.000 -2.605 0.000) 2.605 12.756 ( 0.000 -18.170 0.000) 18.170 14.583 ( 0.000 17.401 0.000) 17.401 14.867 ( 0.000 5.669 0.000) 5.669 16.312 ( 0.000 14.266 0.000) 14.266 16.758 ( 0.000 1.172 0.000) 1.172 17.598 ( 0.000 4.415 0.000) 4.415 17.641 ( 0.000 3.271 0.000) 3.271 19.006 ( 0.000 -5.871 0.000) 5.871 19.033 ( 0.000 -15.589 0.000) 15.589 19.267 ( 0.000 -5.337 0.000) 5.337 19.531 ( 0.000 -2.861 0.000) 2.861 20.642 ( 0.000 -8.221 0.000) 8.221 21.054 ( 0.000 -16.539 0.000) 16.539 21.702 ( 0.000 4.427 0.000) 4.427 22.141 ( 0.000 -7.916 0.000) 7.916 22.291 ( 0.000 5.542 0.000) 5.542 22.692 ( 0.000 -4.888 0.000) 4.888 28.436 ( 0.000 7.536 0.000) 7.536 28.518 ( 0.000 4.452 0.000) 4.452 29.134 ( 0.000 -8.316 0.000) 8.316 29.181 ( 0.000 -11.837 0.000) 11.837 ======================= Grid point 28 (17/105) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 8.705 11.298 12.426) 18.916 1.416 ( 1.267 13.357 -1.712) 13.525 1.592 ( 7.801 2.452 -1.194) 8.264 2.042 ( -4.924 -7.856 -2.569) 9.621 2.502 ( -6.549 8.587 1.321) 10.880 2.732 ( 1.150 2.084 -2.749) 3.636 2.966 ( 2.712 11.426 -2.719) 12.054 3.192 ( -4.477 -6.528 2.041) 8.175 3.253 ( 2.535 4.596 -1.367) 5.424 3.328 ( 3.645 8.215 2.381) 9.298 3.579 ( -8.049 2.858 0.707) 8.570 3.686 ( -2.444 -2.177 -5.339) 6.262 3.959 ( -4.645 0.094 2.107) 5.101 4.213 ( -2.892 8.014 0.478) 8.534 4.264 ( -9.338 -3.667 1.280) 10.114 4.399 ( 6.814 -3.092 -3.470) 8.248 4.491 ( -3.615 -2.699 -3.245) 5.558 4.705 ( 7.406 -9.697 0.280) 12.205 4.919 ( -0.357 -5.597 3.780) 6.763 5.032 ( -1.287 -8.995 1.460) 9.203 5.481 ( 1.007 0.552 2.478) 2.732 5.599 ( 1.450 0.562 -2.056) 2.578 5.950 ( -1.305 -1.419 -0.764) 2.074 6.064 ( 0.953 0.375 0.954) 1.400 6.950 ( 1.649 22.508 -0.357) 22.571 7.239 ( 7.173 18.322 0.113) 19.677 7.675 ( -4.254 7.591 0.958) 8.755 8.091 ( -3.143 0.076 -0.776) 3.238 8.454 ( -1.019 1.159 -0.167) 1.552 8.617 ( 2.198 7.473 0.338) 7.797 8.897 ( -4.198 -7.630 -0.132) 8.710 9.222 ( 8.213 -4.146 0.257) 9.204 9.683 ( -0.576 -1.446 0.237) 1.575 9.781 ( -0.211 -2.397 0.378) 2.436 11.046 ( -3.353 18.375 2.059) 18.792 11.171 ( -3.888 22.269 -1.700) 22.669 11.947 ( -2.194 2.023 0.276) 2.997 12.093 ( 0.479 -1.091 -0.393) 1.254 12.452 ( 4.681 -3.977 3.672) 7.156 12.730 ( -1.184 -18.092 -2.662) 18.325 14.579 ( -0.121 17.421 -0.490) 17.429 14.873 ( 0.209 5.789 0.735) 5.840 16.325 ( 0.526 14.136 1.336) 14.209 16.718 ( -2.824 2.894 -2.368) 4.686 17.597 ( -0.081 4.431 -0.109) 4.434 17.638 ( -0.261 3.203 -0.067) 3.215 19.020 ( 1.997 -6.002 -1.155) 6.430 19.036 ( -0.537 -15.014 1.816) 15.133 19.269 ( -0.031 -6.067 0.044) 6.068 19.528 ( -0.104 -1.999 -0.371) 2.036 20.579 ( -4.868 -8.111 -2.371) 9.752 20.996 ( -4.701 -15.121 -2.073) 15.970 21.720 ( -0.079 5.110 3.351) 6.111 22.147 ( -2.162 -5.318 -1.339) 5.895 22.270 ( -1.088 3.404 4.403) 5.671 22.631 ( -4.980 -5.105 -2.563) 7.578 28.470 ( 3.529 2.936 0.060) 4.590 28.638 ( 11.783 2.067 0.364) 11.969 29.101 ( -2.211 -9.611 0.099) 9.863 29.219 ( 2.887 -9.089 -0.226) 9.540 ======================= Grid point 29 (18/105) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 1.849 12.702 -3.583) 13.327 1.626 ( 9.486 2.455 15.246) 18.123 1.749 ( 11.378 5.428 -4.349) 13.336 1.912 ( -2.260 -3.755 -4.669) 6.404 2.400 ( -4.877 7.920 0.148) 9.302 2.668 ( -2.654 -2.459 -5.463) 6.553 2.980 ( 2.972 1.747 -6.227) 7.117 3.107 ( -8.041 6.032 1.950) 10.240 3.210 ( -5.162 -4.388 -0.334) 6.783 3.390 ( -0.095 4.197 -1.570) 4.482 3.487 ( -3.944 0.543 3.743) 5.464 3.606 ( -4.148 2.139 3.391) 5.769 3.889 ( -4.794 -1.606 0.603) 5.092 4.136 ( -5.120 0.387 2.954) 5.924 4.179 ( -3.250 3.260 0.754) 4.665 4.324 ( -2.181 -1.158 -4.917) 5.502 4.549 ( 6.083 -3.992 -1.003) 7.345 4.825 ( 5.466 -11.264 1.456) 12.605 4.987 ( 2.471 -3.728 3.484) 5.669 5.018 ( -0.030 -5.537 0.188) 5.540 5.493 ( -0.637 1.927 -0.631) 2.126 5.613 ( 0.880 1.461 -0.498) 1.777 5.915 ( -1.464 0.345 -1.400) 2.055 6.080 ( -0.453 2.681 1.035) 2.909 7.005 ( 4.663 21.046 -0.147) 21.557 7.372 ( 5.905 16.473 0.219) 17.500 7.600 ( -3.870 5.327 0.487) 6.602 8.020 ( -3.452 0.452 -0.577) 3.529 8.432 ( -1.532 0.428 0.390) 1.638 8.585 ( -5.217 4.913 0.161) 7.168 8.937 ( 7.895 -5.769 -0.220) 9.780 9.344 ( 4.712 -3.337 0.127) 5.775 9.675 ( -0.667 0.725 0.464) 1.089 9.778 ( -0.498 0.091 0.330) 0.604 10.989 ( -5.593 19.460 2.383) 20.388 11.063 ( -5.102 21.336 -2.244) 22.052 11.900 ( -3.247 -1.206 0.584) 3.512 12.112 ( 1.837 0.618 0.263) 1.956 12.575 ( 2.678 -12.825 0.406) 13.108 12.685 ( 0.889 -11.995 0.142) 12.029 14.569 ( -0.118 17.412 -0.868) 17.434 14.884 ( -0.033 6.106 0.645) 6.140 16.356 ( 0.810 13.850 2.127) 14.036 16.625 ( -3.774 6.439 -3.011) 8.048 17.593 ( -0.106 4.490 -0.160) 4.494 17.632 ( -0.320 3.041 -0.074) 3.059 19.041 ( 1.340 -11.609 -0.098) 11.686 19.063 ( 1.432 -8.643 1.089) 8.829 19.257 ( -1.584 -7.746 0.014) 7.907 19.522 ( 0.143 0.260 -0.684) 0.746 20.454 ( -5.548 -8.424 -2.261) 10.337 20.875 ( -5.973 -11.863 -1.075) 13.326 21.760 ( -0.006 5.785 3.515) 6.769 22.034 ( -5.148 -0.387 -2.601) 5.781 22.363 ( 2.444 -1.533 5.569) 6.272 22.479 ( -7.329 -5.268 -3.150) 9.560 28.559 ( 6.555 -1.534 -0.681) 6.766 28.856 ( 9.169 -9.586 0.208) 13.267 29.085 ( 1.366 -5.764 0.088) 5.924 29.262 ( 2.014 -6.536 -0.024) 6.839 ======================= Grid point 30 (19/105) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 4.329 9.576 -6.161) 12.181 1.654 ( -9.458 1.776 -0.157) 9.625 1.930 ( 12.185 4.437 -7.497) 14.978 2.011 ( 4.118 -3.037 11.352) 12.452 2.392 ( 4.716 3.539 -1.440) 6.070 2.584 ( 0.444 -1.589 -3.814) 4.155 2.856 ( -8.191 4.232 -2.897) 9.664 3.009 ( -0.043 0.496 -2.927) 2.969 3.175 ( -1.288 2.949 1.524) 3.561 3.279 ( -10.178 -3.113 -1.064) 10.696 3.458 ( -2.228 -9.224 1.502) 9.608 3.568 ( -6.404 1.716 5.836) 8.833 3.832 ( -1.376 -1.224 0.191) 1.852 4.112 ( -2.029 0.210 2.694) 3.380 4.136 ( -1.588 0.338 -0.100) 1.627 4.294 ( 0.650 4.333 -0.120) 4.383 4.650 ( 6.194 -5.039 0.256) 7.989 4.930 ( 2.313 -6.706 3.332) 7.837 5.013 ( 2.365 -4.888 -1.895) 5.752 5.076 ( 2.779 -2.030 0.050) 3.442 5.470 ( -0.158 3.542 -1.385) 3.807 5.602 ( -1.438 2.043 -0.041) 2.498 5.872 ( -1.509 3.002 -1.121) 3.542 6.067 ( -1.698 3.928 0.303) 4.290 7.095 ( 4.826 17.659 -0.043) 18.307 7.396 ( -3.078 13.907 0.663) 14.259 7.597 ( 2.966 6.356 -0.669) 7.046 7.966 ( -2.031 0.732 -0.099) 2.161 8.414 ( -0.837 0.001 0.544) 0.999 8.493 ( -4.365 1.753 0.053) 4.704 9.109 ( 10.349 -3.387 -0.045) 10.889 9.374 ( -1.762 -4.479 -0.076) 4.814 9.673 ( -0.068 4.955 0.436) 4.974 9.771 ( -0.505 2.587 0.086) 2.637 10.908 ( -4.502 22.358 0.554) 22.814 10.968 ( -3.390 17.485 -0.662) 17.823 11.855 ( -2.215 -4.292 0.531) 4.859 12.160 ( 2.350 2.727 1.212) 3.799 12.516 ( -2.653 -20.558 -4.459) 21.203 12.786 ( 3.776 -7.319 3.739) 9.045 14.559 ( -0.013 17.261 -0.734) 17.277 14.885 ( -0.254 6.481 0.182) 6.488 16.391 ( 0.598 13.622 1.645) 13.734 16.539 ( -2.501 9.199 -1.870) 9.715 17.590 ( -0.062 4.586 -0.116) 4.588 17.626 ( -0.216 2.898 -0.041) 2.907 19.076 ( 2.375 -13.247 0.551) 13.470 19.096 ( 1.296 -6.978 0.242) 7.101 19.210 ( -3.474 -8.651 -0.056) 9.323 19.520 ( 0.351 2.287 -0.606) 2.391 20.353 ( -3.351 -8.901 -1.149) 9.580 20.781 ( -3.722 -9.022 0.168) 9.761 21.780 ( -0.668 4.777 1.378) 5.016 21.965 ( -0.472 -2.535 -0.209) 2.587 22.277 ( -6.975 0.030 -3.994) 8.037 22.488 ( 1.960 -4.319 4.188) 6.328 28.679 ( 6.912 -6.331 -0.102) 9.373 28.904 ( -1.815 -15.996 -0.671) 16.112 29.168 ( 5.796 -1.912 -0.616) 6.134 29.291 ( 0.820 -5.662 0.722) 5.766 ======================= Grid point 31 (20/105) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -0.000 11.856 0.000) 11.856 1.512 ( 0.000 -3.123 0.000) 3.123 1.979 ( 0.000 1.398 0.000) 1.398 2.151 ( -0.000 4.838 -0.000) 4.838 2.427 ( -0.000 -4.605 0.000) 4.605 2.540 ( 0.000 -0.804 0.000) 0.804 2.893 ( -0.000 10.942 -0.000) 10.942 2.931 ( 0.000 0.870 0.000) 0.870 3.095 ( 0.000 -4.335 -0.000) 4.335 3.202 ( 0.000 -2.154 0.000) 2.154 3.443 ( 0.000 -11.885 0.000) 11.885 3.535 ( 0.000 -0.463 -0.000) 0.463 3.826 ( 0.000 -0.267 0.000) 0.267 4.104 ( 0.000 6.002 -0.000) 6.002 4.124 ( 0.000 -6.101 0.000) 6.101 4.304 ( 0.000 3.826 0.000) 3.826 4.728 ( 0.000 -4.922 0.000) 4.922 4.962 ( 0.000 -3.937 0.000) 3.937 5.036 ( -0.000 -4.651 -0.000) 4.651 5.092 ( 0.000 1.164 0.000) 1.164 5.463 ( -0.000 1.558 0.000) 1.558 5.585 ( 0.000 2.219 0.000) 2.219 5.851 ( 0.000 4.539 0.000) 4.539 6.047 ( 0.000 4.707 0.000) 4.707 7.146 ( 0.000 15.806 0.000) 15.806 7.357 ( 0.000 11.979 0.000) 11.979 7.627 ( 0.000 8.429 0.000) 8.429 7.948 ( 0.000 0.652 0.000) 0.652 8.414 ( 0.000 -0.560 0.000) 0.560 8.448 ( 0.000 1.264 0.000) 1.264 9.263 ( 0.000 -1.863 0.000) 1.863 9.297 ( -0.000 -6.031 0.000) 6.031 9.676 ( 0.000 7.016 0.000) 7.016 9.766 ( 0.000 3.564 0.000) 3.564 10.867 ( 0.000 22.982 0.000) 22.982 10.933 ( 0.000 16.090 0.000) 16.090 11.838 ( 0.000 -5.551 0.000) 5.551 12.197 ( 0.000 5.040 0.000) 5.040 12.456 ( 0.000 -22.423 0.000) 22.423 12.844 ( 0.000 -8.119 0.000) 8.119 14.555 ( 0.000 17.140 0.000) 17.140 14.883 ( 0.000 6.663 0.000) 6.663 16.406 ( 0.000 13.557 0.000) 13.557 16.505 ( 0.000 10.131 0.000) 10.131 17.589 ( 0.000 4.641 0.000) 4.641 17.624 ( 0.000 2.845 0.000) 2.845 19.110 ( 0.000 -7.624 0.000) 7.624 19.125 ( 0.000 -18.926 -0.000) 18.926 19.152 ( 0.000 -2.608 0.000) 2.608 19.520 ( 0.000 2.949 0.000) 2.949 20.316 ( 0.000 -9.012 0.000) 9.012 20.749 ( 0.000 -7.893 0.000) 7.893 21.779 ( 0.000 3.780 0.000) 3.780 21.977 ( -0.000 -7.214 0.000) 7.214 22.174 ( 0.000 5.147 0.000) 5.147 22.530 ( 0.000 -4.251 0.000) 4.251 28.767 ( 0.000 -9.420 0.000) 9.420 28.856 ( -0.000 -14.601 0.000) 14.601 29.218 ( 0.000 -1.165 0.000) 1.165 29.305 ( 0.000 -6.798 0.000) 6.798 ======================= Grid point 36 (21/105) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.000 11.533 0.000) 11.533 1.536 ( 0.000 -0.809 0.000) 0.809 1.634 ( 0.000 7.434 0.000) 7.434 1.834 ( 0.000 -12.518 0.000) 12.518 2.738 ( 0.000 6.457 0.000) 6.457 2.787 ( 0.000 1.619 0.000) 1.619 3.000 ( 0.000 -2.379 0.000) 2.379 3.035 ( 0.000 -6.269 0.000) 6.269 3.447 ( 0.000 9.055 0.000) 9.055 3.581 ( 0.000 3.979 0.000) 3.979 3.613 ( 0.000 5.461 0.000) 5.461 3.749 ( 0.000 -1.237 0.000) 1.237 4.005 ( 0.000 1.970 0.000) 1.970 4.135 ( 0.000 -9.500 0.000) 9.500 4.373 ( 0.000 4.244 0.000) 4.244 4.458 ( 0.000 -4.415 0.000) 4.415 4.463 ( 0.000 5.578 0.000) 5.578 4.543 ( 0.000 -1.028 0.000) 1.028 4.804 ( 0.000 -4.046 0.000) 4.046 4.822 ( 0.000 -6.714 0.000) 6.714 5.501 ( 0.000 3.280 0.000) 3.280 5.567 ( 0.000 -2.644 0.000) 2.644 5.961 ( 0.000 0.556 0.000) 0.556 5.994 ( 0.000 -2.285 0.000) 2.285 7.390 ( 0.000 17.523 0.000) 17.523 7.498 ( 0.000 8.185 0.000) 8.185 7.861 ( 0.000 6.573 0.000) 6.573 8.034 ( 0.000 -8.661 0.000) 8.661 8.559 ( 0.000 6.267 0.000) 6.267 8.647 ( 0.000 1.103 0.000) 1.103 8.860 ( 0.000 -7.298 0.000) 7.298 8.883 ( 0.000 -8.332 0.000) 8.332 9.707 ( 0.000 2.145 0.000) 2.145 9.744 ( 0.000 -1.278 0.000) 1.278 11.437 ( 0.000 16.169 0.000) 16.169 11.602 ( 0.000 8.205 0.000) 8.205 11.949 ( 0.000 2.614 0.000) 2.614 12.193 ( 0.000 9.173 0.000) 9.173 12.235 ( 0.000 -14.759 0.000) 14.759 12.399 ( 0.000 -12.228 0.000) 12.228 14.881 ( 0.000 9.537 0.000) 9.537 14.957 ( 0.000 1.638 0.000) 1.638 16.554 ( 0.000 9.136 0.000) 9.136 16.709 ( 0.000 -5.476 0.000) 5.476 17.692 ( 0.000 3.429 0.000) 3.429 17.705 ( 0.000 2.028 0.000) 2.028 18.794 ( 0.000 -5.374 0.000) 5.374 18.831 ( 0.000 -7.619 0.000) 7.619 19.293 ( 0.000 5.728 0.000) 5.728 19.436 ( 0.000 -6.537 0.000) 6.537 20.576 ( 0.000 2.677 0.000) 2.677 20.742 ( 0.000 -12.379 0.000) 12.379 21.817 ( 0.000 6.511 0.000) 6.511 21.970 ( 0.000 -8.001 0.000) 8.001 22.423 ( 0.000 6.860 0.000) 6.860 22.568 ( 0.000 -6.725 0.000) 6.725 28.587 ( 0.000 5.729 0.000) 5.729 28.609 ( 0.000 3.371 0.000) 3.371 28.974 ( 0.000 -5.749 0.000) 5.749 28.977 ( 0.000 -6.485 0.000) 6.485 ======================= Grid point 37 (22/105) ======================= q-point: ( 0.12 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 3.629 9.818 10.032) 14.498 1.596 ( 4.356 2.694 0.339) 5.133 1.655 ( 3.598 4.352 0.569) 5.675 1.828 ( -1.791 -11.046 1.763) 11.328 2.669 ( -7.185 6.506 0.312) 9.698 2.743 ( -4.715 -0.723 -1.626) 5.040 2.984 ( 1.736 -1.166 -5.283) 5.682 3.045 ( -1.980 -6.224 5.151) 8.319 3.382 ( -2.367 6.873 -6.558) 9.790 3.523 ( -3.423 -6.147 -6.893) 9.850 3.624 ( 0.756 11.880 1.144) 11.959 3.723 ( -3.925 1.777 3.732) 5.700 3.989 ( -5.013 3.093 2.869) 6.552 4.111 ( -4.802 -8.022 1.698) 9.503 4.369 ( 1.585 0.348 -4.713) 4.985 4.384 ( -2.566 4.208 -0.024) 4.929 4.443 ( 0.076 0.620 -3.451) 3.507 4.561 ( 0.278 -5.529 0.876) 5.605 4.832 ( 2.889 -1.565 2.869) 4.362 4.876 ( 2.532 -5.306 2.363) 6.337 5.518 ( 1.323 2.793 0.553) 3.140 5.579 ( 1.922 -2.478 -1.066) 3.312 5.964 ( 0.984 2.725 -0.226) 2.906 6.033 ( 2.949 -3.014 0.392) 4.235 7.390 ( 0.217 17.240 0.064) 17.241 7.532 ( 3.515 5.765 -0.309) 6.759 7.820 ( -4.966 7.574 1.169) 9.132 8.008 ( -2.645 -8.074 0.190) 8.498 8.512 ( -2.414 4.709 -0.906) 5.368 8.672 ( -3.379 -10.594 -0.877) 11.154 8.795 ( 4.128 9.520 0.198) 10.378 9.025 ( 7.964 -11.908 0.317) 14.329 9.716 ( 0.546 2.645 0.900) 2.847 9.757 ( 0.773 -1.131 0.876) 1.626 11.417 ( -3.246 16.121 1.825) 16.545 11.573 ( -2.450 9.717 -1.114) 10.083 11.906 ( -4.515 1.326 -0.231) 4.711 12.156 ( -3.956 -3.967 1.095) 5.708 12.278 ( 4.133 -5.146 -1.676) 6.810 12.419 ( 1.989 -9.465 1.550) 9.796 14.881 ( 0.336 9.857 -0.600) 9.881 14.963 ( 0.566 1.446 0.060) 1.554 16.558 ( 0.164 8.464 0.383) 8.475 16.695 ( -0.914 -4.498 -0.935) 4.685 17.690 ( -0.119 3.359 -0.117) 3.363 17.701 ( -0.212 2.070 -0.221) 2.092 18.800 ( 0.147 -5.074 0.871) 5.150 18.843 ( 1.184 -7.931 0.204) 8.021 19.293 ( 0.077 5.990 -0.281) 5.997 19.441 ( 0.783 -6.609 -0.463) 6.671 20.521 ( -4.617 3.259 -1.601) 5.874 20.696 ( -4.033 -12.481 -1.017) 13.156 21.845 ( 1.095 6.755 2.547) 7.301 21.998 ( 1.054 -7.717 1.689) 7.970 22.379 ( -3.803 6.139 -0.093) 7.222 22.511 ( -4.630 -6.256 -2.045) 8.047 28.560 ( -0.824 5.370 0.047) 5.433 28.657 ( 2.367 -2.204 0.089) 3.236 28.969 ( 2.593 -0.929 -0.053) 2.754 29.050 ( 5.076 -6.906 -0.024) 8.571 ======================= Grid point 38 (23/105) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 1.508 8.040 -5.190) 9.688 1.721 ( 5.210 5.368 14.187) 16.039 1.780 ( 3.070 -5.181 -4.579) 7.565 1.826 ( 2.924 -1.946 7.414) 8.204 2.529 ( -6.114 4.161 -1.612) 7.569 2.598 ( -5.605 -3.097 -4.775) 7.988 2.956 ( 0.486 1.488 -3.866) 4.171 3.065 ( -1.964 -7.394 3.045) 8.234 3.238 ( -6.042 5.796 -4.558) 9.532 3.368 ( -4.891 -6.218 -6.481) 10.227 3.592 ( -6.867 7.511 1.226) 10.251 3.681 ( -7.449 0.476 5.056) 9.015 3.889 ( -6.476 2.887 1.142) 7.181 4.011 ( -6.602 -7.339 2.093) 10.091 4.333 ( -2.037 6.708 -2.136) 7.329 4.372 ( 2.385 4.847 -0.657) 5.442 4.487 ( 5.736 -1.835 -1.440) 6.192 4.604 ( 4.468 -9.848 3.197) 11.277 4.929 ( 3.361 -1.105 0.437) 3.565 4.944 ( 4.017 -2.097 0.951) 4.630 5.547 ( 1.549 3.148 -0.129) 3.511 5.610 ( 2.194 -2.190 -0.777) 3.196 5.981 ( 1.021 5.430 -0.619) 5.560 6.081 ( 1.556 -2.888 0.328) 3.297 7.401 ( 0.699 15.523 0.219) 15.540 7.594 ( 2.659 -1.550 -0.335) 3.096 7.733 ( -4.564 12.124 0.803) 12.979 7.957 ( -3.101 -7.205 0.361) 7.852 8.468 ( -1.911 3.033 -0.268) 3.595 8.568 ( -5.607 -5.911 -0.174) 8.149 8.935 ( 9.525 7.383 -0.610) 12.067 9.151 ( 5.793 -11.646 -0.165) 13.008 9.745 ( 1.275 3.329 1.226) 3.770 9.784 ( 0.962 -0.487 1.034) 1.494 11.366 ( -4.680 16.387 2.346) 17.203 11.499 ( -3.655 14.400 -2.155) 15.012 11.799 ( -6.764 -2.950 0.055) 7.380 12.077 ( -5.161 -15.806 -0.309) 16.630 12.330 ( 3.493 3.744 -1.288) 5.280 12.506 ( 4.069 -8.658 3.246) 10.102 14.878 ( 0.360 10.479 -1.150) 10.548 14.973 ( 0.560 1.052 -0.339) 1.239 16.568 ( 0.294 6.789 0.780) 6.840 16.662 ( -1.337 -2.091 -1.107) 2.718 17.686 ( -0.144 3.194 -0.159) 3.202 17.694 ( -0.267 2.154 -0.279) 2.189 18.817 ( 0.389 -4.667 1.334) 4.869 18.870 ( 1.213 -8.480 0.418) 8.577 19.286 ( -0.332 6.894 -0.629) 6.931 19.451 ( 1.163 -7.067 -0.991) 7.230 20.408 ( -5.561 4.610 -0.987) 7.291 20.605 ( -4.806 -12.637 -0.046) 13.520 21.884 ( 0.256 5.897 1.041) 5.993 21.992 ( -2.216 -3.915 -2.011) 4.927 22.345 ( -1.051 0.642 3.603) 3.808 22.390 ( -5.611 -3.353 -1.551) 6.718 28.564 ( 1.154 2.659 -0.139) 2.902 28.674 ( -0.270 -7.580 -0.054) 7.585 29.057 ( 6.338 2.259 0.020) 6.729 29.141 ( 4.669 -5.162 -0.017) 6.960 ======================= Grid point 39 (24/105) ======================= q-point: ( 0.38 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -0.717 6.193 -6.875) 9.280 1.681 ( -6.662 -3.827 -2.705) 8.145 1.936 ( 3.844 3.589 8.484) 9.981 2.025 ( 8.736 -0.787 5.429) 10.316 2.447 ( -0.483 1.863 -3.818) 4.275 2.510 ( 0.689 -3.991 -3.815) 5.564 2.918 ( -1.650 3.263 -0.506) 3.691 2.986 ( -3.382 -1.197 -3.629) 5.103 3.144 ( -4.848 -0.697 2.516) 5.506 3.242 ( -2.761 -8.154 -3.361) 9.241 3.427 ( -9.866 8.135 0.059) 12.788 3.561 ( -8.358 -3.630 2.284) 9.394 3.838 ( -1.727 2.737 1.966) 3.787 3.953 ( -2.695 -7.909 2.041) 8.601 4.278 ( -2.296 7.234 -0.465) 7.604 4.375 ( -0.865 0.116 -0.758) 1.156 4.623 ( 7.735 3.157 2.000) 8.591 4.767 ( 7.373 -8.601 3.679) 11.912 4.958 ( 1.668 0.828 -2.158) 2.850 5.015 ( 2.876 -3.482 -0.534) 4.548 5.569 ( 1.180 4.174 -0.501) 4.366 5.624 ( 0.135 -0.810 -0.645) 1.044 5.983 ( 0.131 6.998 -0.588) 7.024 6.092 ( -0.283 -2.178 0.017) 2.196 7.416 ( 0.807 12.317 0.191) 12.345 7.565 ( -4.322 -0.506 0.192) 4.355 7.734 ( 3.114 8.990 -0.373) 9.521 7.912 ( -2.233 -6.222 0.276) 6.616 8.439 ( -1.214 2.023 0.156) 2.365 8.486 ( -3.392 -2.090 0.187) 3.989 9.093 ( 8.294 3.148 -0.519) 8.886 9.219 ( 1.768 -7.905 -0.181) 8.103 9.780 ( 1.122 3.351 0.812) 3.626 9.807 ( 0.563 0.417 0.575) 0.906 11.311 ( -3.529 16.834 1.670) 17.281 11.411 ( -3.099 20.242 -2.067) 20.582 11.692 ( -4.757 -8.248 0.291) 9.526 11.987 ( -3.604 -23.050 -0.765) 23.343 12.372 ( 2.056 10.094 -0.378) 10.308 12.604 ( 2.851 -10.343 2.453) 11.006 14.871 ( 0.172 10.888 -1.031) 10.939 14.975 ( 0.236 0.733 -0.537) 0.939 16.582 ( 0.258 5.062 0.707) 5.118 16.631 ( -0.983 0.354 -0.616) 1.213 17.682 ( -0.040 3.023 -0.130) 3.026 17.687 ( -0.208 2.241 -0.151) 2.256 18.840 ( 0.600 -4.981 1.101) 5.137 18.889 ( 0.333 -8.437 0.341) 8.450 19.270 ( -0.569 8.063 -0.639) 8.108 19.458 ( 0.728 -7.944 -0.979) 8.037 20.322 ( -3.311 6.163 0.101) 6.996 20.540 ( -2.765 -12.692 0.823) 13.016 21.860 ( -1.806 3.002 -1.595) 3.850 21.914 ( -2.236 -2.371 -2.977) 4.414 22.310 ( -2.647 3.088 0.709) 4.129 22.393 ( 0.904 -4.516 3.535) 5.806 28.591 ( 1.908 -1.029 -0.106) 2.171 28.657 ( -1.303 -7.462 -0.187) 7.578 29.161 ( 4.705 1.133 -0.112) 4.841 29.206 ( 2.395 -3.015 0.105) 3.852 ======================= Grid point 40 (25/105) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 0.000 2.745 0.000) 2.745 1.579 ( 0.000 -1.125 0.000) 1.125 2.019 ( 0.000 5.906 -0.000) 5.906 2.169 ( -0.000 -4.599 -0.000) 4.599 2.414 ( -0.000 2.627 0.000) 2.627 2.486 ( 0.000 -3.651 0.000) 3.651 2.929 ( -0.000 0.735 -0.000) 0.735 2.941 ( 0.000 0.132 0.000) 0.132 3.075 ( 0.000 0.616 0.000) 0.616 3.200 ( 0.000 -10.470 0.000) 10.470 3.332 ( 0.000 10.025 0.000) 10.025 3.492 ( 0.000 -4.580 0.000) 4.580 3.837 ( 0.000 2.093 0.000) 2.093 3.942 ( 0.000 -8.208 -0.000) 8.208 4.252 ( 0.000 7.265 0.000) 7.265 4.359 ( 0.000 -1.238 -0.000) 1.238 4.718 ( 0.000 4.057 -0.000) 4.057 4.873 ( 0.000 -9.182 0.000) 9.182 4.952 ( 0.000 2.834 -0.000) 2.834 5.037 ( 0.000 -4.326 0.000) 4.326 5.577 ( -0.000 4.603 0.000) 4.603 5.616 ( 0.000 0.301 0.000) 0.301 5.981 ( 0.000 7.218 0.000) 7.218 6.086 ( 0.000 -1.665 0.000) 1.665 7.429 ( 0.000 10.283 0.000) 10.283 7.517 ( 0.000 2.437 0.000) 2.437 7.769 ( 0.000 5.584 0.000) 5.584 7.890 ( 0.000 -5.617 0.000) 5.617 8.429 ( 0.000 1.524 0.000) 1.524 8.455 ( 0.000 -0.624 0.000) 0.624 9.200 ( 0.000 -2.266 0.000) 2.266 9.203 ( -0.000 -2.217 0.000) 2.217 9.795 ( 0.000 3.169 0.000) 3.169 9.815 ( 0.000 0.863 0.000) 0.863 11.287 ( 0.000 16.775 0.000) 16.775 11.368 ( 0.000 22.866 0.000) 22.866 11.649 ( 0.000 -10.412 0.000) 10.412 11.948 ( 0.000 -25.449 0.000) 25.449 12.390 ( 0.000 12.197 0.000) 12.197 12.644 ( 0.000 -11.169 0.000) 11.169 14.866 ( 0.000 10.992 0.000) 10.992 14.973 ( 0.000 0.622 0.000) 0.622 16.589 ( 0.000 4.330 0.000) 4.330 16.618 ( 0.000 1.378 0.000) 1.378 17.682 ( 0.000 2.972 0.000) 2.972 17.684 ( -0.000 2.259 0.000) 2.259 18.854 ( 0.000 -5.630 0.000) 5.630 18.892 ( 0.000 -7.917 -0.000) 7.917 19.260 ( 0.000 8.575 0.000) 8.575 19.458 ( 0.000 -8.426 0.000) 8.426 20.293 ( 0.000 6.906 0.000) 6.906 20.521 ( 0.000 -12.645 0.000) 12.645 21.831 ( 0.000 1.629 0.000) 1.629 21.873 ( 0.000 -3.015 0.000) 3.015 22.295 ( 0.000 6.239 0.000) 6.239 22.423 ( 0.000 -5.819 0.000) 5.819 28.620 ( 0.000 -3.906 0.000) 3.906 28.632 ( -0.000 -5.616 0.000) 5.616 29.207 ( 0.000 0.128 0.000) 0.128 29.226 ( 0.000 -1.897 0.000) 1.897 ======================= Grid point 81 (26/105) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 15.787 0.000 19.059) 24.748 0.466 ( -5.979 0.000 21.715) 22.523 0.892 ( -17.002 0.000 39.090) 42.627 1.608 ( -6.314 0.000 -12.004) 13.564 1.738 ( 2.586 0.000 -12.316) 12.584 2.223 ( 2.925 0.000 10.594) 10.990 2.332 ( -4.931 0.000 -8.908) 10.182 3.114 ( 5.017 0.000 -1.029) 5.121 3.426 ( 5.880 0.000 0.064) 5.881 3.550 ( -2.009 0.000 -6.424) 6.731 3.737 ( 0.911 0.000 0.179) 0.928 3.918 ( 0.539 0.000 0.161) 0.562 3.920 ( -7.170 0.000 0.147) 7.172 3.960 ( -3.855 0.000 -3.231) 5.030 4.272 ( 9.491 0.000 5.652) 11.046 4.399 ( 10.009 0.000 -0.348) 10.015 4.821 ( -14.353 0.000 -14.324) 20.277 4.890 ( 14.991 0.000 -5.491) 15.965 5.450 ( 5.826 0.000 8.280) 10.124 5.609 ( -1.628 0.000 0.057) 1.629 5.700 ( 2.380 0.000 9.249) 9.551 5.767 ( -0.820 0.000 4.079) 4.160 5.846 ( 0.107 0.000 -2.369) 2.371 6.367 ( -1.295 0.000 1.300) 1.835 6.454 ( 1.268 0.000 -0.681) 1.439 6.487 ( -16.446 0.000 -5.695) 17.404 7.344 ( -4.340 0.000 7.779) 8.908 7.861 ( 1.883 0.000 -4.406) 4.791 8.306 ( -0.078 0.000 1.366) 1.368 8.559 ( 1.440 0.000 -2.806) 3.154 8.607 ( -0.696 0.000 0.523) 0.871 8.762 ( 4.681 0.000 -1.514) 4.920 9.881 ( -0.149 0.000 4.949) 4.951 10.142 ( -0.804 0.000 0.552) 0.975 10.272 ( -1.124 0.000 -1.347) 1.754 10.287 ( 4.266 0.000 -3.076) 5.259 11.989 ( 1.699 0.000 0.808) 1.881 12.023 ( -2.406 0.000 -0.091) 2.408 12.544 ( -0.332 0.000 7.300) 7.308 13.177 ( 9.906 0.000 -6.443) 11.817 14.657 ( 2.545 0.000 1.259) 2.840 14.781 ( -26.740 0.000 -1.677) 26.793 15.631 ( 0.342 0.000 0.862) 0.927 15.722 ( -7.415 0.000 -1.126) 7.500 17.489 ( -0.451 0.000 0.165) 0.480 17.528 ( 0.300 0.000 -0.587) 0.659 19.106 ( -0.941 0.000 2.542) 2.711 19.323 ( 0.810 0.000 -2.214) 2.357 19.810 ( -1.994 0.000 2.480) 3.182 20.064 ( 2.301 0.000 -3.234) 3.969 20.810 ( 0.044 0.000 3.187) 3.187 21.055 ( 8.936 0.000 -2.367) 9.244 22.032 ( 2.162 0.000 3.619) 4.216 22.381 ( -2.962 0.000 -4.264) 5.191 22.827 ( 6.496 0.000 1.228) 6.611 22.898 ( -46.169 0.000 -0.558) 46.173 28.276 ( 52.087 0.000 0.437) 52.088 28.334 ( -5.961 0.000 -0.787) 6.013 29.475 ( 2.065 0.000 2.900) 3.560 29.707 ( -1.925 0.000 -2.211) 2.932 ======================= Grid point 82 (27/105) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 4.792 0.000 18.068) 18.693 0.738 ( -4.973 0.000 27.626) 28.070 1.382 ( 28.616 0.000 19.450) 34.601 1.422 ( 5.129 0.000 -18.944) 19.626 1.692 ( 7.044 0.000 -9.339) 11.697 2.104 ( -8.267 0.000 -8.767) 12.050 2.389 ( 1.497 0.000 10.947) 11.049 3.100 ( -2.779 0.000 -8.380) 8.829 3.457 ( -3.234 0.000 -5.719) 6.570 3.511 ( 3.639 0.000 1.366) 3.887 3.655 ( -3.791 0.000 1.208) 3.979 3.865 ( -2.744 0.000 -1.737) 3.247 3.886 ( 0.447 0.000 1.126) 1.212 3.922 ( -1.374 0.000 0.892) 1.638 4.433 ( -10.581 0.000 -11.272) 15.460 4.477 ( 0.256 0.000 0.359) 0.441 4.549 ( 12.396 0.000 4.654) 13.241 5.159 ( 20.521 0.000 -10.721) 23.153 5.479 ( -11.909 0.000 -0.903) 11.944 5.585 ( 1.547 0.000 3.339) 3.680 5.746 ( 1.851 0.000 0.400) 1.894 5.828 ( -2.212 0.000 0.379) 2.244 5.845 ( -7.699 0.000 15.537) 17.340 6.028 ( -21.710 0.000 1.437) 21.757 6.360 ( -0.115 0.000 0.011) 0.116 6.444 ( -1.758 0.000 0.084) 1.760 7.331 ( -6.412 0.000 7.915) 10.186 7.831 ( 0.323 0.000 -4.600) 4.611 8.329 ( 0.832 0.000 1.710) 1.902 8.571 ( 3.880 0.000 -4.462) 5.913 8.618 ( 0.920 0.000 1.566) 1.817 8.831 ( 4.943 0.000 -3.364) 5.980 9.926 ( -1.630 0.000 6.387) 6.592 10.075 ( -5.270 0.000 -0.955) 5.356 10.215 ( -2.741 0.000 -2.550) 3.744 10.339 ( 3.955 0.000 -2.533) 4.697 11.989 ( 0.213 0.000 -1.590) 1.604 12.026 ( 0.249 0.000 2.212) 2.226 12.698 ( 7.636 0.000 8.094) 11.128 13.232 ( 6.681 0.000 -13.919) 15.440 14.327 ( -24.449 0.000 13.786) 28.068 14.715 ( 0.496 0.000 3.643) 3.676 15.610 ( -4.737 0.000 1.975) 5.132 15.641 ( -0.476 0.000 1.138) 1.233 17.482 ( -0.480 0.000 0.145) 0.501 17.527 ( 0.352 0.000 -0.560) 0.661 19.127 ( 0.219 0.000 2.543) 2.552 19.302 ( -0.357 0.000 -2.456) 2.482 19.797 ( -2.206 0.000 2.268) 3.165 20.077 ( 2.867 0.000 -3.019) 4.163 20.840 ( -1.250 0.000 3.450) 3.670 21.061 ( -1.050 0.000 -5.802) 5.896 21.994 ( -22.947 0.000 12.718) 26.236 22.219 ( -7.698 0.000 -4.889) 9.119 22.304 ( -7.850 0.000 12.334) 14.620 22.898 ( -3.127 0.000 2.841) 4.225 28.331 ( 9.561 0.000 -2.672) 9.927 29.186 ( 32.754 0.000 -23.746) 40.456 29.638 ( -2.156 0.000 -4.290) 4.801 29.682 ( 25.390 0.000 -5.269) 25.931 ======================= Grid point 83 (28/105) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 3.720 0.000 13.406) 13.913 0.952 ( -5.031 0.000 29.168) 29.599 1.418 ( 15.098 0.000 -15.609) 21.716 1.689 ( 11.377 0.000 -10.998) 15.824 1.906 ( -5.246 0.000 -2.887) 5.988 2.158 ( 31.020 0.000 7.588) 31.935 2.488 ( -1.598 0.000 10.422) 10.544 2.865 ( -13.271 0.000 -5.660) 14.428 3.319 ( 4.283 0.000 -14.927) 15.529 3.568 ( 1.703 0.000 -1.633) 2.359 3.707 ( 0.669 0.000 6.532) 6.566 3.839 ( -0.057 0.000 0.919) 0.921 3.894 ( -0.572 0.000 0.117) 0.584 3.901 ( -2.587 0.000 3.700) 4.515 4.203 ( -2.820 0.000 -8.327) 8.792 4.427 ( -3.192 0.000 -4.627) 5.621 4.801 ( 8.624 0.000 4.647) 9.796 5.197 ( -15.852 0.000 -1.883) 15.963 5.325 ( 0.382 0.000 1.937) 1.974 5.569 ( -3.657 0.000 -1.251) 3.865 5.758 ( -14.876 0.000 9.712) 17.765 5.766 ( 0.287 0.000 -2.685) 2.700 5.837 ( -0.838 0.000 -3.140) 3.250 5.847 ( 5.116 0.000 4.233) 6.640 6.367 ( 1.734 0.000 -1.581) 2.346 6.399 ( -3.905 0.000 0.800) 3.986 7.291 ( -7.427 0.000 8.257) 11.106 7.784 ( 0.054 0.000 -4.298) 4.299 8.371 ( 1.685 0.000 1.805) 2.470 8.594 ( 4.589 0.000 -5.539) 7.193 8.670 ( 2.085 0.000 2.478) 3.238 8.873 ( 3.409 0.000 -2.695) 4.346 9.961 ( -1.977 0.000 6.235) 6.540 9.962 ( -5.298 0.000 -1.528) 5.514 10.125 ( -4.015 0.000 -2.621) 4.795 10.367 ( 2.055 0.000 -2.079) 2.923 12.002 ( 3.191 0.000 -1.798) 3.663 12.041 ( -1.206 0.000 2.304) 2.601 12.947 ( 10.408 0.000 6.144) 12.086 13.155 ( 1.391 0.000 -11.231) 11.316 14.156 ( -11.570 0.000 10.659) 15.731 14.731 ( -3.243 0.000 3.339) 4.654 15.567 ( -2.324 0.000 1.101) 2.572 15.637 ( -0.783 0.000 0.453) 0.905 17.476 ( -0.436 0.000 0.368) 0.570 17.528 ( 0.321 0.000 -0.442) 0.547 19.160 ( 0.601 0.000 1.944) 2.035 19.262 ( -1.047 0.000 -2.468) 2.681 19.783 ( -2.099 0.000 2.406) 3.193 20.101 ( 3.374 0.000 -3.177) 4.634 20.825 ( -3.615 0.000 1.981) 4.122 20.963 ( -3.081 0.000 -3.891) 4.963 21.764 ( -15.126 0.000 10.213) 18.251 22.047 ( -6.418 0.000 -2.806) 7.005 22.407 ( 2.810 0.000 5.982) 6.609 22.774 ( -9.665 0.000 -1.555) 9.789 28.632 ( 21.068 0.000 5.222) 21.705 29.284 ( 5.798 0.000 -9.411) 11.053 29.530 ( -4.289 0.000 -5.519) 6.990 30.038 ( 21.013 0.000 -10.199) 23.357 ======================= Grid point 84 (29/105) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -0.945 0.000 10.011) 10.056 1.138 ( -9.042 0.000 27.535) 28.982 1.604 ( 16.095 0.000 -3.399) 16.450 1.800 ( 14.207 0.000 -11.336) 18.175 1.900 ( 2.119 0.000 7.455) 7.751 2.380 ( -5.352 0.000 3.431) 6.357 2.595 ( -10.959 0.000 -0.972) 11.002 2.843 ( 25.028 0.000 2.965) 25.203 3.296 ( 9.541 0.000 -15.920) 18.561 3.508 ( -4.298 0.000 -4.896) 6.515 3.757 ( -1.665 0.000 4.451) 4.752 3.851 ( -2.700 0.000 4.318) 5.092 3.873 ( -0.849 0.000 -0.563) 1.018 3.918 ( -1.886 0.000 4.778) 5.137 4.140 ( 2.397 0.000 -4.337) 4.956 4.275 ( -4.314 0.000 -9.902) 10.801 4.919 ( -11.126 0.000 -1.488) 11.225 4.937 ( 3.857 0.000 0.092) 3.858 5.271 ( -5.083 0.000 1.805) 5.394 5.473 ( -6.463 0.000 1.261) 6.585 5.548 ( -13.157 0.000 3.504) 13.616 5.748 ( -2.723 0.000 0.484) 2.766 5.906 ( 10.809 0.000 -3.725) 11.433 6.026 ( 8.521 0.000 3.634) 9.264 6.311 ( -6.919 0.000 0.491) 6.937 6.382 ( 2.037 0.000 -2.178) 2.982 7.251 ( -7.024 0.000 8.953) 11.379 7.752 ( 1.105 0.000 -3.229) 3.413 8.417 ( 1.148 0.000 1.356) 1.777 8.615 ( 4.385 0.000 -5.653) 7.155 8.730 ( 0.972 0.000 2.901) 3.059 8.897 ( 2.159 0.000 -1.885) 2.866 9.869 ( -2.949 0.000 -1.454) 3.288 9.964 ( -2.976 0.000 -0.498) 3.018 10.052 ( -2.318 0.000 3.325) 4.053 10.373 ( 1.349 0.000 -2.237) 2.612 12.036 ( -1.636 0.000 1.672) 2.340 12.051 ( 3.522 0.000 -1.184) 3.716 13.092 ( 2.306 0.000 -5.431) 5.901 13.152 ( 6.126 0.000 2.531) 6.629 14.094 ( -6.834 0.000 7.914) 10.456 14.671 ( -4.904 0.000 0.132) 4.906 15.545 ( -1.224 0.000 0.634) 1.378 15.627 ( -0.326 0.000 -0.503) 0.599 17.475 ( -0.333 0.000 0.701) 0.776 17.530 ( 0.279 0.000 -0.269) 0.388 19.181 ( -0.088 0.000 0.797) 0.802 19.222 ( -0.300 0.000 -2.132) 2.153 19.776 ( -1.734 0.000 2.828) 3.317 20.125 ( 3.234 0.000 -3.739) 4.943 20.770 ( -3.579 0.000 1.000) 3.716 20.887 ( -1.541 0.000 -2.215) 2.699 21.644 ( -8.207 0.000 5.355) 9.799 21.930 ( -3.685 0.000 -2.344) 4.368 22.484 ( 0.144 0.000 3.164) 3.167 22.607 ( -4.267 0.000 -3.161) 5.310 29.101 ( 17.687 0.000 12.790) 21.827 29.276 ( 3.078 0.000 -5.854) 6.614 29.367 ( -7.539 0.000 -4.819) 8.948 30.235 ( 11.692 0.000 -6.363) 13.311 ======================= Grid point 85 (30/105) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -7.210 0.000 8.183) 10.907 1.193 ( -16.609 0.000 25.819) 30.700 1.844 ( 6.216 0.000 7.216) 9.524 1.933 ( 13.439 0.000 -11.696) 17.816 2.136 ( 6.039 0.000 19.593) 20.503 2.284 ( -9.197 0.000 4.785) 10.368 2.506 ( 1.949 0.000 2.849) 3.451 3.057 ( -6.978 0.000 -10.763) 12.827 3.252 ( 5.232 0.000 -18.497) 19.223 3.411 ( 6.107 0.000 -3.501) 7.039 3.755 ( -2.745 0.000 2.960) 4.037 3.810 ( -8.161 0.000 7.888) 11.350 3.868 ( 0.686 0.000 -0.354) 0.772 3.916 ( -0.109 0.000 -0.573) 0.583 4.114 ( 1.032 0.000 -12.913) 12.954 4.171 ( 4.630 0.000 -1.919) 5.012 4.827 ( 2.308 0.000 -0.598) 2.384 4.975 ( 6.191 0.000 -6.919) 9.284 5.244 ( -0.599 0.000 2.762) 2.827 5.309 ( -14.526 0.000 7.291) 16.253 5.502 ( 3.673 0.000 -0.403) 3.695 5.700 ( -1.850 0.000 -1.353) 2.292 6.056 ( 6.633 0.000 1.277) 6.755 6.126 ( -6.695 0.000 -0.468) 6.711 6.225 ( 2.735 0.000 2.259) 3.547 6.390 ( 1.399 0.000 -2.295) 2.687 7.236 ( -5.596 0.000 9.498) 11.024 7.757 ( 2.633 0.000 -2.274) 3.479 8.425 ( -1.438 0.000 0.273) 1.464 8.630 ( 3.569 0.000 -4.996) 6.140 8.755 ( -1.659 0.000 2.693) 3.163 8.916 ( 1.677 0.000 -0.986) 1.946 9.837 ( 0.930 0.000 -0.948) 1.328 9.874 ( -3.054 0.000 -3.379) 4.555 10.095 ( 0.633 0.000 5.279) 5.316 10.371 ( 1.297 0.000 -2.581) 2.889 12.020 ( -1.668 0.000 0.967) 1.928 12.089 ( 1.561 0.000 -0.590) 1.669 13.129 ( 4.767 0.000 -0.235) 4.773 13.185 ( -3.617 0.000 -1.318) 3.849 14.078 ( -4.176 0.000 7.842) 8.884 14.593 ( -1.286 0.000 -3.132) 3.386 15.536 ( -0.472 0.000 0.566) 0.737 15.615 ( 0.039 0.000 -1.100) 1.101 17.479 ( -0.223 0.000 0.966) 0.991 17.532 ( 0.235 0.000 -0.193) 0.304 19.172 ( -1.095 0.000 -0.472) 1.193 19.214 ( 1.605 0.000 -1.374) 2.113 19.781 ( -1.406 0.000 3.342) 3.626 20.129 ( 2.023 0.000 -4.414) 4.855 20.741 ( -0.773 0.000 1.222) 1.446 20.862 ( 0.888 0.000 -1.675) 1.896 21.579 ( -3.937 0.000 3.020) 4.962 21.874 ( 1.259 0.000 -3.171) 3.412 22.479 ( -3.024 0.000 0.918) 3.160 22.574 ( 2.558 0.000 -1.201) 2.826 29.143 ( -11.219 0.000 -2.751) 11.551 29.280 ( 3.405 0.000 -3.962) 5.224 29.495 ( 8.252 0.000 14.202) 16.425 30.338 ( 6.708 0.000 -4.739) 8.213 ======================= Grid point 86 (31/105) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -14.535 0.000 6.842) 16.065 1.109 ( -23.143 0.000 26.221) 34.974 1.999 ( 7.029 0.000 -11.718) 13.665 2.000 ( 1.705 0.000 10.322) 10.462 2.168 ( -9.046 0.000 3.749) 9.792 2.319 ( -10.549 0.000 20.673) 23.209 2.525 ( -31.143 0.000 -12.173) 33.437 2.801 ( 19.553 0.000 9.316) 21.659 3.132 ( 5.988 0.000 -18.856) 19.784 3.483 ( 4.888 0.000 -9.874) 11.018 3.728 ( -2.748 0.000 2.148) 3.488 3.783 ( -2.224 0.000 5.480) 5.914 3.874 ( 0.302 0.000 -0.951) 0.998 3.918 ( 1.038 0.000 -0.175) 1.053 4.057 ( 7.531 0.000 -12.280) 14.405 4.264 ( 6.600 0.000 0.052) 6.600 4.963 ( 12.881 0.000 -0.880) 12.911 5.017 ( 3.610 0.000 -7.120) 7.983 5.181 ( -3.324 0.000 4.430) 5.538 5.272 ( -2.231 0.000 4.197) 4.753 5.580 ( 2.578 0.000 1.211) 2.849 5.678 ( 2.851 0.000 -2.326) 3.680 5.947 ( -9.252 0.000 -0.894) 9.295 6.146 ( -0.847 0.000 4.369) 4.450 6.307 ( 3.159 0.000 0.238) 3.168 6.387 ( 1.486 0.000 -2.209) 2.662 7.253 ( -3.810 0.000 9.374) 10.119 7.791 ( 3.674 0.000 -2.368) 4.371 8.379 ( -3.116 0.000 -0.503) 3.156 8.636 ( 2.311 0.000 -3.877) 4.514 8.727 ( -4.095 0.000 1.977) 4.547 8.930 ( 0.662 0.000 -0.875) 1.098 9.807 ( -0.867 0.000 -2.210) 2.374 9.881 ( 4.519 0.000 -0.216) 4.524 10.169 ( 2.008 0.000 3.854) 4.346 10.364 ( 1.151 0.000 -3.038) 3.248 11.997 ( -1.533 0.000 0.274) 1.557 12.094 ( -0.568 0.000 0.060) 0.571 13.011 ( -11.784 0.000 -3.258) 12.226 13.224 ( 4.897 0.000 -0.123) 4.899 14.128 ( -1.640 0.000 12.344) 12.452 14.568 ( 2.718 0.000 -4.487) 5.246 15.540 ( 0.062 0.000 0.866) 0.868 15.606 ( 0.349 0.000 -1.198) 1.248 17.486 ( -0.187 0.000 1.002) 1.020 17.533 ( 0.174 0.000 -0.298) 0.345 19.138 ( -1.546 0.000 -1.058) 1.873 19.246 ( 2.954 0.000 -0.837) 3.070 19.795 ( -1.337 0.000 3.627) 3.865 20.107 ( 1.066 0.000 -4.575) 4.697 20.757 ( 0.746 0.000 0.907) 1.174 20.873 ( 2.767 0.000 -2.986) 4.071 21.577 ( -0.242 0.000 4.360) 4.366 21.925 ( 8.012 0.000 -2.354) 8.351 22.403 ( -5.866 0.000 0.179) 5.869 22.642 ( 5.596 0.000 -1.124) 5.708 28.908 ( -14.151 0.000 1.878) 14.275 29.314 ( 4.045 0.000 -2.438) 4.722 29.708 ( 1.156 0.000 10.368) 10.432 30.372 ( 4.307 0.000 -7.985) 9.073 ======================= Grid point 87 (32/105) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -19.993 0.000 8.171) 21.598 0.947 ( -26.300 0.000 26.643) 37.437 1.671 ( -38.731 0.000 -8.878) 39.735 1.979 ( 1.567 0.000 -12.762) 12.858 2.072 ( -10.964 0.000 11.008) 15.537 2.122 ( -8.258 0.000 5.446) 9.892 2.312 ( -0.480 0.000 5.661) 5.682 3.090 ( 5.211 0.000 -9.578) 10.904 3.224 ( 15.448 0.000 6.856) 16.901 3.396 ( 2.328 0.000 -14.778) 14.960 3.749 ( 2.298 0.000 5.151) 5.640 3.839 ( 1.815 0.000 4.516) 4.867 3.851 ( -1.239 0.000 -2.196) 2.521 3.955 ( 2.623 0.000 0.582) 2.687 4.092 ( 9.330 0.000 -10.792) 14.266 4.348 ( 1.954 0.000 -3.933) 4.391 4.982 ( -0.906 0.000 5.929) 5.998 5.175 ( -1.521 0.000 -2.912) 3.286 5.262 ( 9.705 0.000 3.428) 10.293 5.275 ( 7.135 0.000 -0.665) 7.166 5.558 ( -4.309 0.000 -2.710) 5.090 5.786 ( 8.535 0.000 3.146) 9.096 5.826 ( -4.035 0.000 0.751) 4.105 6.107 ( -6.566 0.000 2.760) 7.123 6.356 ( 3.534 0.000 -1.202) 3.732 6.404 ( 0.875 0.000 0.770) 1.165 7.293 ( -2.778 0.000 8.705) 9.137 7.830 ( 3.918 0.000 -3.264) 5.099 8.322 ( -2.327 0.000 -0.316) 2.348 8.627 ( 1.142 0.000 -4.018) 4.177 8.664 ( -4.906 0.000 2.363) 5.445 8.909 ( -1.185 0.000 -2.621) 2.877 9.797 ( 0.890 0.000 0.022) 0.891 9.981 ( 6.089 0.000 0.415) 6.103 10.240 ( 2.061 0.000 2.166) 2.990 10.343 ( 0.343 0.000 -3.636) 3.652 11.974 ( -0.943 0.000 -0.355) 1.008 12.075 ( -1.764 0.000 0.488) 1.830 12.751 ( -12.928 0.000 -1.483) 13.013 13.262 ( 1.899 0.000 -5.426) 5.749 14.313 ( 2.380 0.000 23.313) 23.434 14.580 ( 3.489 0.000 -3.924) 5.251 15.559 ( 0.483 0.000 1.943) 2.003 15.605 ( 0.724 0.000 -0.784) 1.067 17.492 ( -0.247 0.000 0.779) 0.817 17.532 ( 0.144 0.000 -0.478) 0.499 19.103 ( -1.257 0.000 -0.421) 1.326 19.291 ( 2.860 0.000 -1.033) 3.041 19.808 ( -1.458 0.000 3.465) 3.759 20.079 ( 1.220 0.000 -4.180) 4.355 20.774 ( 0.174 0.000 0.582) 0.608 20.880 ( 2.290 0.000 -4.633) 5.168 21.690 ( 4.994 0.000 10.666) 11.777 22.104 ( 13.189 0.000 -0.718) 13.208 22.293 ( -7.586 0.000 3.750) 8.462 22.718 ( 4.846 0.000 -3.251) 5.836 28.688 ( -14.850 0.000 5.663) 15.894 29.367 ( 3.858 0.000 -1.157) 4.028 29.776 ( -2.359 0.000 5.316) 5.816 30.270 ( 1.034 0.000 -26.299) 26.320 ======================= Grid point 88 (33/105) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -20.191 0.000 14.949) 25.122 0.630 ( -33.564 0.000 1.264) 33.587 0.994 ( -35.927 0.000 27.379) 45.170 1.852 ( 0.207 0.000 -13.816) 13.818 1.868 ( -14.157 0.000 -0.942) 14.188 2.104 ( -2.092 0.000 8.833) 9.078 2.404 ( 3.870 0.000 -1.790) 4.264 3.065 ( 1.476 0.000 -3.508) 3.806 3.325 ( 6.340 0.000 -9.135) 11.120 3.503 ( 10.912 0.000 1.018) 10.960 3.773 ( -3.767 0.000 -3.295) 5.005 3.910 ( 1.206 0.000 1.290) 1.766 3.911 ( 4.949 0.000 8.377) 9.730 4.004 ( 2.235 0.000 -0.934) 2.422 4.175 ( 11.922 0.000 -5.790) 13.253 4.234 ( -4.903 0.000 -6.097) 7.824 4.959 ( -14.096 0.000 -1.767) 14.207 5.111 ( 1.369 0.000 -0.476) 1.449 5.288 ( -5.110 0.000 6.012) 7.890 5.523 ( 9.844 0.000 2.418) 10.137 5.528 ( 6.332 0.000 1.497) 6.506 5.783 ( -2.570 0.000 1.196) 2.834 5.903 ( -2.030 0.000 -2.502) 3.222 6.209 ( 16.114 0.000 12.794) 20.575 6.414 ( 3.984 0.000 -1.173) 4.153 6.430 ( 0.513 0.000 4.791) 4.819 7.330 ( -3.229 0.000 7.822) 8.462 7.858 ( 3.373 0.000 -4.030) 5.256 8.297 ( -0.595 0.000 0.689) 0.910 8.585 ( -0.686 0.000 -3.090) 3.166 8.624 ( -2.161 0.000 1.329) 2.537 8.820 ( -4.045 0.000 -5.531) 6.852 9.831 ( 1.061 0.000 2.594) 2.803 10.089 ( 4.815 0.000 0.594) 4.851 10.280 ( 0.732 0.000 0.394) 0.832 10.297 ( -0.844 0.000 -3.420) 3.522 11.964 ( 0.599 0.000 -0.430) 0.738 12.049 ( -1.732 0.000 1.121) 2.063 12.564 ( -8.191 0.000 3.269) 8.819 13.178 ( -2.456 0.000 -6.297) 6.759 14.608 ( 3.124 0.000 -1.762) 3.586 14.747 ( 15.120 0.000 22.967) 27.497 15.615 ( 0.800 0.000 0.010) 0.801 15.634 ( 5.367 0.000 6.975) 8.801 17.493 ( -0.357 0.000 0.428) 0.558 17.529 ( 0.213 0.000 -0.563) 0.602 19.092 ( -0.486 0.000 1.699) 1.767 19.320 ( 1.929 0.000 -1.672) 2.553 19.814 ( -1.691 0.000 2.962) 3.411 20.064 ( 1.785 0.000 -3.650) 4.063 20.784 ( -0.055 0.000 1.614) 1.615 20.886 ( 2.796 0.000 2.318) 3.632 21.955 ( 6.790 0.000 5.408) 8.681 22.334 ( 10.732 0.000 -0.267) 10.735 22.421 ( 17.335 0.000 34.856) 38.929 22.745 ( 3.751 0.000 -4.206) 5.636 28.494 ( -13.131 0.000 4.745) 13.963 29.393 ( -11.611 0.000 -25.550) 28.064 29.495 ( -33.098 0.000 -54.191) 63.500 29.758 ( -2.795 0.000 0.881) 2.931 ======================= Grid point 89 (34/105) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 12.247 15.653 13.012) 23.755 0.893 ( -13.603 16.369 24.259) 32.272 1.215 ( -1.858 30.624 12.091) 32.977 1.631 ( -3.994 6.721 -8.566) 11.597 1.916 ( -2.677 13.543 -9.526) 16.772 2.278 ( 0.871 6.121 4.077) 7.405 2.460 ( -0.481 5.572 -8.198) 9.924 3.099 ( 7.583 -2.229 -3.277) 8.556 3.407 ( 3.769 -1.384 2.087) 4.525 3.569 ( -4.561 -3.729 -7.686) 9.684 3.684 ( 3.976 -2.462 -1.310) 4.857 3.724 ( -6.382 -5.133 -3.508) 8.910 3.963 ( -0.195 3.769 1.577) 4.090 4.144 ( -5.955 4.385 -0.871) 7.447 4.215 ( 8.477 -1.452 4.874) 9.886 4.424 ( 7.238 1.415 0.252) 7.379 4.800 ( -13.151 -2.847 -12.631) 18.455 4.827 ( 11.030 -5.255 -0.969) 12.257 5.346 ( 1.349 -9.221 11.529) 14.825 5.551 ( 2.066 -4.065 2.472) 5.187 5.607 ( -0.784 -8.442 8.400) 11.935 5.701 ( -8.355 -10.307 12.734) 18.390 5.909 ( 4.124 3.418 -0.893) 5.431 6.010 ( -6.224 -3.142 1.055) 7.052 6.401 ( -2.349 3.689 0.853) 4.456 6.491 ( 3.220 4.676 -1.298) 5.824 7.420 ( -3.760 6.564 7.094) 10.371 7.906 ( 1.664 4.139 -4.430) 6.287 8.371 ( -0.067 5.056 1.522) 5.280 8.528 ( 3.044 -4.130 -1.060) 5.239 8.679 ( -1.754 8.381 2.310) 8.869 8.903 ( 0.894 11.131 -2.904) 11.538 10.010 ( -0.280 -6.532 -0.331) 6.547 10.138 ( 0.205 -8.249 -1.908) 8.469 10.318 ( -1.229 18.598 -4.889) 19.269 10.429 ( 3.971 10.358 -2.359) 11.341 11.960 ( -0.624 -2.079 1.014) 2.396 12.055 ( 0.356 2.197 -1.344) 2.601 12.535 ( -0.048 -0.981 7.756) 7.818 13.136 ( 2.900 -2.668 -5.204) 6.528 14.309 ( -12.146 -9.514 17.363) 23.227 14.694 ( 2.430 0.768 -0.230) 2.559 15.710 ( -0.645 11.556 2.974) 11.950 16.285 ( -1.238 18.784 -17.288) 25.559 17.510 ( -0.893 1.286 0.652) 1.696 17.543 ( 0.277 1.373 -0.432) 1.466 19.101 ( -0.864 -0.414 2.588) 2.760 19.329 ( 1.020 0.326 -2.381) 2.611 19.715 ( -1.110 -8.498 1.668) 8.731 19.909 ( 1.571 -13.142 -2.628) 13.494 20.886 ( -1.076 2.218 -2.128) 3.257 21.140 ( 9.544 2.100 -13.651) 16.788 22.002 ( -1.569 -3.669 4.572) 6.068 22.342 ( -4.939 -4.429 -3.302) 7.410 22.492 ( -11.914 -15.649 18.762) 27.182 22.820 ( 0.269 -2.211 1.032) 2.455 28.242 ( 16.417 1.031 2.820) 16.690 28.373 ( -2.220 1.985 -1.460) 3.317 29.430 ( 1.385 -4.158 2.379) 4.986 29.628 ( -1.539 -7.309 -1.928) 7.715 ======================= Grid point 90 (35/105) ======================= q-point: ( 0.12 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -4.520 12.430 21.717) 25.428 1.077 ( 10.022 21.233 12.351) 26.530 1.393 ( 8.012 1.899 -7.448) 11.102 1.613 ( 15.488 19.730 3.295) 25.299 1.826 ( 3.492 11.380 -5.742) 13.216 2.145 ( -7.528 3.946 -8.150) 11.776 2.511 ( 1.972 9.827 7.245) 12.368 3.133 ( -0.394 2.029 -8.306) 8.559 3.373 ( -4.262 -7.531 -8.959) 12.456 3.478 ( 0.459 -2.303 1.242) 2.656 3.624 ( -1.722 -1.090 3.627) 4.160 3.702 ( 0.270 -6.899 -0.565) 6.928 3.981 ( -1.254 4.317 2.960) 5.382 4.040 ( -3.038 6.072 -1.007) 6.864 4.331 ( -5.094 -6.344 -0.398) 8.146 4.486 ( -2.018 -1.483 -8.433) 8.797 4.557 ( 6.410 0.318 5.353) 8.357 5.107 ( 19.592 -5.579 -8.902) 22.231 5.385 ( -9.647 -8.745 4.986) 13.943 5.536 ( -2.101 -2.869 2.053) 4.106 5.651 ( -5.754 -12.424 7.948) 15.831 5.694 ( -6.672 -11.339 8.293) 15.552 5.859 ( -6.035 2.296 1.366) 6.600 6.017 ( 5.818 10.349 -1.324) 11.946 6.266 ( -7.725 -2.218 0.292) 8.043 6.623 ( 7.110 10.400 -0.952) 12.634 7.407 ( -6.161 6.507 7.224) 11.510 7.872 ( 0.064 3.685 -4.620) 5.910 8.378 ( -0.775 4.093 1.478) 4.420 8.559 ( 1.713 -3.075 -2.454) 4.291 8.706 ( 2.110 8.433 2.778) 9.126 8.927 ( 4.819 9.981 -3.058) 11.497 9.952 ( -5.356 -5.152 0.915) 7.488 10.116 ( -1.368 -8.300 -1.711) 8.584 10.225 ( -4.194 17.213 -0.432) 17.722 10.451 ( 1.753 9.707 -3.014) 10.315 11.953 ( -0.503 -2.021 0.584) 2.163 12.062 ( 1.112 1.914 -0.531) 2.276 12.689 ( 6.835 -0.905 8.626) 11.043 13.132 ( 3.815 -7.092 -9.257) 12.269 14.244 ( -12.298 -1.641 13.109) 18.049 14.726 ( 0.495 0.543 0.990) 1.232 15.729 ( -1.542 12.837 4.060) 13.552 16.026 ( -7.244 22.703 -9.404) 25.619 17.499 ( -0.913 1.351 0.464) 1.695 17.543 ( 0.237 1.393 -0.383) 1.464 19.120 ( -0.117 -0.617 2.732) 2.804 19.317 ( 0.574 1.162 -2.668) 2.966 19.700 ( -2.284 -8.573 1.469) 8.993 19.919 ( 2.442 -13.630 -2.340) 14.043 20.853 ( -1.896 -0.649 0.853) 2.178 21.074 ( -0.946 -0.363 -10.244) 10.294 21.956 ( -17.214 -3.245 12.110) 21.296 22.164 ( -6.305 -2.747 -0.928) 6.940 22.371 ( -6.884 3.554 7.260) 10.617 22.837 ( -3.030 -5.448 1.482) 6.408 28.351 ( 8.620 1.813 -2.436) 9.139 28.929 ( 37.984 -17.678 -10.848) 43.278 29.528 ( 7.804 -9.247 3.475) 12.589 29.570 ( -1.629 -6.271 -3.396) 7.315 ======================= Grid point 91 (36/105) ======================= q-point: ( 0.25 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -5.167 8.560 24.695) 26.643 1.293 ( 5.678 18.164 2.603) 19.208 1.454 ( 14.227 9.039 -10.246) 19.725 1.784 ( 6.009 5.919 -6.964) 10.938 1.945 ( -0.644 5.229 -2.004) 5.637 2.213 ( 22.928 6.140 5.693) 24.409 2.586 ( -0.758 8.327 7.238) 11.059 2.907 ( -14.659 3.598 -4.031) 15.623 3.237 ( 5.661 -6.841 -14.803) 17.262 3.534 ( 1.537 -2.726 0.530) 3.174 3.657 ( -0.317 -1.973 2.733) 3.386 3.714 ( 0.371 -6.671 1.444) 6.835 3.986 ( -3.285 4.818 6.396) 8.655 4.007 ( -0.223 5.690 -0.746) 5.743 4.175 ( -2.656 -2.762 -7.245) 8.196 4.392 ( -4.386 -3.049 -2.121) 5.747 4.778 ( 8.324 -2.352 4.804) 9.895 5.159 ( -12.355 -2.832 -2.714) 12.962 5.267 ( -0.193 -4.793 1.941) 5.175 5.537 ( -5.118 -5.999 5.063) 9.371 5.563 ( -3.793 -13.818 -0.171) 14.330 5.645 ( -1.427 -6.601 -2.297) 7.134 5.806 ( -2.866 3.426 1.621) 4.752 6.127 ( 2.542 15.174 1.211) 15.433 6.166 ( 0.522 -6.034 -0.301) 6.064 6.699 ( 2.546 15.830 -1.023) 16.066 7.363 ( -7.071 6.197 7.296) 11.901 7.821 ( -0.189 3.312 -4.284) 5.419 8.382 ( 0.001 1.881 0.928) 2.098 8.554 ( 1.231 -3.645 -2.700) 4.700 8.791 ( 3.322 10.394 2.918) 11.295 8.990 ( 5.566 9.834 -3.186) 11.741 9.868 ( -5.015 -5.514 1.368) 7.578 10.029 ( -6.021 -5.122 -1.228) 8.000 10.178 ( -2.063 12.463 1.170) 12.687 10.443 ( 1.029 7.644 -2.702) 8.173 11.966 ( 1.020 -2.142 0.900) 2.538 12.074 ( 0.838 1.713 -0.469) 1.964 12.923 ( 8.987 -2.271 6.426) 11.279 13.075 ( 1.622 -6.859 -8.880) 11.337 14.173 ( -8.850 2.644 9.393) 13.174 14.723 ( -1.942 -0.067 0.500) 2.007 15.736 ( -2.514 14.517 3.805) 15.217 15.866 ( -3.180 18.418 -3.969) 19.107 17.490 ( -0.645 1.225 0.497) 1.471 17.543 ( 0.156 1.326 -0.270) 1.362 19.150 ( 0.220 -0.909 2.312) 2.494 19.292 ( -0.107 2.682 -2.714) 3.817 19.675 ( -1.954 -9.534 1.415) 9.835 19.940 ( 2.526 -13.982 -2.229) 14.382 20.825 ( -2.463 -3.046 0.954) 4.032 20.937 ( -4.300 -0.930 -5.342) 6.920 21.777 ( -13.521 1.428 9.327) 16.488 22.064 ( -4.523 0.725 -0.560) 4.614 22.391 ( -0.136 -1.229 2.681) 2.952 22.730 ( -7.583 -3.959 -0.498) 8.569 28.614 ( 19.001 -1.466 3.561) 19.387 29.206 ( 9.987 -6.892 -8.453) 14.788 29.469 ( -4.125 -5.745 -4.782) 8.538 29.798 ( 16.682 -18.655 -2.066) 25.111 ======================= Grid point 92 (37/105) ======================= q-point: ( 0.38 0.11 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -7.751 5.693 23.687) 25.565 1.414 ( 2.736 16.369 4.987) 17.329 1.621 ( 13.284 7.266 -3.939) 15.645 1.864 ( 8.702 2.067 0.053) 8.944 1.991 ( 4.822 12.285 0.801) 13.222 2.425 ( -0.913 2.550 0.400) 2.738 2.625 ( -11.707 2.659 -0.387) 12.012 2.841 ( 17.966 0.711 4.333) 18.495 3.228 ( 9.209 -6.263 -14.877) 18.583 3.477 ( -5.799 -3.072 -3.740) 7.553 3.666 ( -0.778 -3.444 0.995) 3.668 3.734 ( 0.129 -5.453 1.606) 5.686 3.968 ( -5.254 1.933 3.923) 6.836 4.023 ( 0.157 5.534 1.896) 5.851 4.106 ( 0.794 -2.973 -4.049) 5.086 4.266 ( -5.084 0.407 -4.775) 6.987 4.889 ( -3.685 -1.221 0.199) 3.887 4.963 ( -0.139 1.043 -1.420) 1.767 5.221 ( -4.256 -4.469 1.402) 6.328 5.398 ( -12.748 -10.393 6.485) 17.680 5.511 ( -1.291 0.994 -3.414) 3.783 5.728 ( 9.000 -9.525 -2.786) 13.397 5.769 ( -1.092 1.159 1.411) 2.128 6.054 ( -5.566 -7.042 0.379) 8.984 6.327 ( 9.224 15.352 1.492) 17.972 6.692 ( -1.554 17.931 -1.587) 18.068 7.322 ( -6.179 6.220 7.682) 11.657 7.784 ( 0.912 2.925 -3.394) 4.573 8.397 ( 0.643 -0.321 0.476) 0.862 8.547 ( 1.257 -4.862 -2.819) 5.759 8.869 ( 1.448 12.112 3.000) 12.562 9.051 ( 4.718 11.283 -2.812) 12.549 9.806 ( -3.094 -5.248 0.648) 6.126 9.906 ( -5.148 -5.582 -1.800) 7.804 10.164 ( -1.793 10.331 2.597) 10.802 10.434 ( 1.247 6.100 -2.754) 6.808 11.991 ( -0.398 -2.497 1.848) 3.132 12.089 ( 2.075 1.766 -1.289) 3.014 13.028 ( 3.152 -6.249 -5.019) 8.612 13.110 ( 4.200 -3.811 3.214) 6.519 14.128 ( -6.194 3.840 7.296) 10.312 14.671 ( -2.685 0.754 -1.703) 3.268 15.722 ( -2.572 15.207 2.329) 15.598 15.806 ( -0.477 15.598 -1.922) 15.724 17.487 ( -0.412 1.113 0.723) 1.390 17.543 ( 0.128 1.216 -0.155) 1.232 19.169 ( -0.412 -1.002 1.333) 1.718 19.263 ( 0.230 3.747 -2.434) 4.474 19.666 ( -1.088 -9.824 1.890) 10.063 19.955 ( 2.030 -14.866 -2.817) 15.266 20.795 ( -1.350 -1.798 0.589) 2.324 20.825 ( -3.212 -2.832 -2.267) 4.845 21.667 ( -7.738 2.712 5.050) 9.630 21.990 ( -3.073 4.612 -1.583) 5.764 22.377 ( -1.387 -8.341 -0.109) 8.456 22.632 ( -2.719 0.719 -0.319) 2.831 29.029 ( 17.053 -6.339 9.656) 20.597 29.247 ( 4.141 -2.517 -4.598) 6.680 29.316 ( -7.491 -4.558 -4.324) 9.777 30.008 ( 10.119 -19.592 -3.631) 22.348 ======================= Grid point 93 (38/105) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -14.107 5.792 22.438) 27.130 1.472 ( -3.283 22.426 6.111) 23.475 1.825 ( 6.906 0.496 4.096) 8.045 2.064 ( 10.175 8.858 -5.339) 14.509 2.089 ( 0.975 -0.326 13.188) 13.228 2.401 ( -4.216 9.351 6.864) 12.342 2.526 ( 1.847 1.655 2.917) 3.829 2.994 ( -8.100 -5.217 -7.614) 12.280 3.188 ( 6.481 -6.020 -18.385) 20.402 3.380 ( 4.950 -3.070 -3.108) 6.602 3.658 ( -0.724 -4.122 0.142) 4.188 3.751 ( 0.988 -4.482 0.182) 4.593 3.879 ( -8.327 -1.350 3.513) 9.137 4.020 ( -0.997 3.092 -1.653) 3.645 4.079 ( 0.324 -0.021 -5.143) 5.154 4.174 ( 2.992 1.267 -2.803) 4.291 4.850 ( 2.561 2.689 -0.033) 3.714 4.989 ( 4.592 1.092 -5.531) 7.272 5.195 ( -0.544 -4.457 2.139) 4.974 5.243 ( -11.496 -6.564 5.326) 14.269 5.516 ( 3.535 1.151 0.210) 3.723 5.714 ( -0.986 0.501 -1.139) 1.588 5.902 ( 3.257 -9.835 1.067) 10.415 5.962 ( -1.121 -7.651 -0.360) 7.741 6.449 ( -0.411 16.146 2.572) 16.354 6.643 ( 0.716 17.246 -2.595) 17.455 7.309 ( -4.562 6.583 7.994) 11.316 7.785 ( 2.750 2.607 -2.567) 4.577 8.403 ( -0.700 -0.893 0.157) 1.146 8.539 ( 1.533 -5.591 -3.073) 6.562 8.896 ( -2.026 12.114 2.633) 12.562 9.092 ( 2.453 12.634 -1.913) 13.011 9.764 ( -1.939 -5.622 -0.305) 5.955 9.845 ( 1.441 -4.373 -1.996) 5.018 10.171 ( -0.956 8.284 3.401) 9.006 10.430 ( 1.681 5.666 -2.933) 6.598 11.988 ( -1.828 -2.510 1.520) 3.457 12.112 ( 1.590 1.518 -1.101) 2.458 13.078 ( 4.753 -5.351 0.036) 7.157 13.126 ( -3.800 -5.393 -0.889) 6.657 14.108 ( -4.411 3.913 6.997) 9.151 14.614 ( 0.065 2.350 -3.776) 4.448 15.699 ( -1.822 14.401 1.109) 14.558 15.801 ( 1.673 16.028 -1.026) 16.148 17.490 ( -0.258 1.048 0.988) 1.463 17.544 ( 0.150 1.112 -0.151) 1.132 19.161 ( -1.408 -0.870 0.263) 1.675 19.258 ( 1.784 3.988 -1.830) 4.736 19.673 ( -0.914 -9.683 2.553) 10.056 19.952 ( 1.481 -15.490 -3.622) 15.976 20.769 ( -1.057 0.351 -0.087) 1.117 20.814 ( 2.508 -3.990 0.037) 4.712 21.601 ( -4.220 2.823 2.810) 5.803 21.923 ( -0.018 3.636 -4.201) 5.556 22.396 ( 1.444 -6.361 2.709) 7.063 22.590 ( -0.908 0.333 -1.861) 2.097 29.115 ( -11.079 -2.962 -1.882) 11.621 29.250 ( 3.748 -3.007 -3.123) 5.731 29.402 ( 8.709 -7.755 11.144) 16.130 30.088 ( 3.542 -21.613 -4.168) 22.294 ======================= Grid point 94 (39/105) ======================= q-point: (-0.38 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -19.644 7.823 21.184) 29.931 1.406 ( -10.338 25.907 4.316) 28.226 1.951 ( 1.573 -4.265 6.910) 8.271 2.059 ( -4.820 4.485 -3.205) 7.322 2.191 ( -3.545 1.494 7.769) 8.669 2.427 ( -5.423 9.994 7.554) 13.651 2.514 ( -23.834 1.644 -5.359) 24.484 2.829 ( 17.472 2.347 8.046) 19.378 3.095 ( 6.955 -3.543 -19.016) 20.555 3.434 ( 4.481 -4.272 -9.703) 11.510 3.634 ( -2.434 -6.515 0.874) 7.009 3.783 ( 1.707 -5.580 -1.207) 5.959 3.811 ( -1.367 2.177 4.815) 5.458 3.979 ( 0.139 -0.797 -2.900) 3.011 4.050 ( 3.951 2.624 -6.355) 7.930 4.284 ( 7.947 1.313 1.235) 8.149 4.951 ( 4.611 -1.311 1.095) 4.918 5.001 ( 4.525 -0.766 -6.425) 7.896 5.138 ( -2.202 -4.482 2.280) 5.489 5.229 ( -0.439 -3.645 3.916) 5.368 5.586 ( 2.109 0.383 0.741) 2.268 5.706 ( 1.855 -0.438 -2.712) 3.315 5.813 ( -5.874 -7.751 0.614) 9.745 6.077 ( 7.003 -7.640 0.506) 10.377 6.357 ( -10.554 14.445 2.501) 18.064 6.674 ( 3.277 16.666 -2.012) 17.104 7.326 ( -3.085 6.464 7.740) 10.545 7.822 ( 4.124 2.789 -2.474) 5.560 8.377 ( -1.802 0.519 -0.223) 1.888 8.540 ( 1.876 -5.941 -2.700) 6.790 8.852 ( -5.252 10.650 1.824) 12.013 9.090 ( -0.833 11.812 -1.313) 11.913 9.758 ( 2.182 -5.069 -0.298) 5.527 9.901 ( 6.302 -0.700 -1.533) 6.524 10.198 ( -0.095 6.027 3.091) 6.774 10.432 ( 2.043 6.292 -3.001) 7.264 11.966 ( -1.841 -2.459 0.981) 3.225 12.118 ( -0.051 1.619 -0.470) 1.687 12.953 ( -11.117 -4.992 -3.220) 12.605 13.188 ( 4.757 -4.628 1.269) 6.756 14.125 ( -3.260 2.107 9.366) 10.139 14.598 ( 3.002 2.959 -4.649) 6.276 15.684 ( -0.942 12.969 0.760) 13.025 15.851 ( 5.002 19.646 -0.121) 20.273 17.497 ( -0.225 1.032 1.111) 1.533 17.545 ( 0.167 1.070 -0.295) 1.122 19.130 ( -1.840 -0.558 -0.203) 1.934 19.284 ( 2.844 3.551 -1.351) 4.746 19.683 ( -1.106 -10.117 2.622) 10.510 19.937 ( 1.337 -14.656 -3.603) 15.151 20.770 ( 1.042 -1.028 0.081) 1.466 20.885 ( 5.943 0.489 -1.740) 6.212 21.588 ( -1.040 1.797 4.664) 5.106 21.932 ( 5.795 0.506 -3.246) 6.662 22.402 ( -4.232 -0.104 0.486) 4.261 22.607 ( 5.194 -3.331 -0.877) 6.232 28.892 ( -13.670 -1.662 2.113) 13.932 29.282 ( 3.170 -2.824 -1.951) 4.672 29.606 ( 2.268 -8.985 8.479) 12.561 30.030 ( -4.052 -27.790 -7.583) 29.089 ======================= Grid point 95 (40/105) ======================= q-point: (-0.25 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -21.648 10.294 20.122) 31.297 1.206 ( -16.231 22.732 1.974) 28.001 1.677 ( -28.655 1.411 -6.158) 29.343 2.018 ( -2.271 3.322 -2.208) 4.591 2.070 ( -10.248 4.532 6.188) 12.801 2.273 ( -3.473 10.671 6.480) 12.959 2.422 ( -0.436 9.670 -0.245) 9.682 3.061 ( 6.349 -2.907 -11.695) 13.621 3.239 ( 15.200 0.646 7.062) 16.773 3.362 ( 2.931 -1.705 -10.993) 11.504 3.620 ( 0.639 -9.956 1.477) 10.085 3.808 ( 0.611 -2.221 2.525) 3.418 3.877 ( 2.597 3.342 2.094) 4.722 3.975 ( 2.629 -1.650 -2.235) 3.825 4.081 ( 6.254 1.360 -5.235) 8.268 4.405 ( 2.504 3.863 -1.661) 4.894 4.914 ( -3.144 -5.961 6.804) 9.576 5.106 ( 0.558 -6.274 -3.363) 7.140 5.225 ( 10.226 -3.437 -0.038) 10.788 5.253 ( 1.957 -2.558 2.772) 4.249 5.553 ( -4.257 -1.968 -4.308) 6.368 5.708 ( 0.765 -10.954 2.021) 11.165 5.797 ( 1.496 2.466 0.840) 3.004 6.167 ( -6.201 3.722 0.271) 7.237 6.201 ( 0.359 1.902 2.168) 2.906 6.678 ( -0.953 15.141 -1.495) 15.245 7.360 ( -2.150 5.915 7.166) 9.537 7.870 ( 4.342 3.521 -3.145) 6.414 8.350 ( -0.784 2.737 0.001) 2.847 8.541 ( 1.188 -5.595 -2.737) 6.341 8.764 ( -6.033 9.001 1.823) 10.989 9.037 ( -3.182 10.309 -1.624) 10.910 9.837 ( 6.201 -3.877 0.500) 7.331 10.018 ( 7.937 1.702 -1.174) 8.202 10.227 ( 0.498 5.830 1.770) 6.113 10.437 ( 1.964 7.861 -2.987) 8.635 11.949 ( -1.009 -1.943 0.752) 2.315 12.102 ( -1.125 2.009 -0.284) 2.320 12.708 ( -11.945 -3.734 -1.623) 12.620 13.241 ( 1.108 -3.138 -2.176) 3.976 14.194 ( -3.619 -3.079 14.767) 15.513 14.614 ( 3.906 2.713 -4.165) 6.322 15.682 ( -0.374 11.727 1.085) 11.783 15.996 ( 11.701 24.984 0.341) 27.590 17.505 ( -0.273 1.089 1.090) 1.565 17.544 ( 0.191 1.128 -0.448) 1.229 19.100 ( -1.490 -0.139 0.465) 1.567 19.319 ( 2.405 2.430 -1.511) 3.738 19.691 ( -0.602 -10.552 2.067) 10.769 19.925 ( 1.154 -13.106 -2.879) 13.468 20.815 ( 3.786 0.045 1.013) 3.919 20.964 ( 7.960 5.844 -7.819) 12.596 21.703 ( 4.619 0.729 13.433) 14.224 22.036 ( 6.612 -3.870 -1.664) 7.840 22.311 ( -3.595 0.723 0.079) 3.668 22.702 ( 5.484 -1.776 -1.164) 5.881 28.680 ( -14.266 -0.894 5.019) 15.150 29.316 ( 1.458 -5.240 -0.878) 5.510 29.665 ( -5.330 -13.894 -0.844) 14.905 29.723 ( -15.427 -31.336 -12.054) 36.949 ======================= Grid point 96 (41/105) ======================= q-point: (-0.12 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -27.349 6.636 -0.703) 28.151 0.943 ( -17.686 19.286 17.895) 31.701 1.267 ( -16.316 26.385 8.682) 32.214 1.822 ( -9.759 4.523 -3.541) 11.325 2.056 ( -2.595 8.518 -2.094) 9.147 2.214 ( -3.301 13.294 3.093) 14.042 2.498 ( 7.207 2.809 -5.032) 9.228 3.042 ( 3.788 -2.519 -6.666) 8.070 3.317 ( 4.503 -0.439 -3.520) 5.732 3.546 ( 10.925 1.097 2.151) 11.189 3.663 ( 1.815 -10.242 -2.536) 10.706 3.820 ( -1.112 -1.004 -1.185) 1.910 3.949 ( 1.534 3.081 2.979) 4.552 4.031 ( 6.386 -2.103 -0.791) 6.770 4.175 ( 7.869 3.128 -0.301) 8.473 4.322 ( -3.689 4.887 -3.952) 7.288 4.902 ( -11.755 -5.255 0.822) 12.903 5.078 ( 1.402 -3.470 -1.672) 4.099 5.207 ( -5.839 -8.729 5.183) 11.712 5.452 ( 5.559 -3.178 1.249) 6.524 5.489 ( 4.822 -7.468 3.487) 9.549 5.733 ( -7.512 -13.573 10.606) 18.792 5.838 ( 3.577 3.921 -0.491) 5.330 6.066 ( -2.060 7.744 0.320) 8.020 6.287 ( 5.442 -3.019 0.891) 6.287 6.603 ( -5.868 10.212 -1.294) 11.849 7.396 ( -2.240 6.097 6.889) 9.469 7.904 ( 3.518 4.172 -3.925) 6.722 8.352 ( 0.402 4.543 0.832) 4.636 8.519 ( 0.125 -4.461 -2.588) 5.159 8.700 ( -3.675 8.266 2.670) 9.432 8.955 ( -2.980 10.514 -2.413) 11.191 9.958 ( 5.847 -6.253 -0.140) 8.562 10.130 ( 4.273 -4.865 -1.370) 6.618 10.277 ( 6.072 15.496 -1.333) 16.696 10.429 ( 0.460 9.652 -3.073) 10.139 11.950 ( 0.207 -1.491 0.762) 1.687 12.075 ( -1.099 2.155 -0.739) 2.530 12.539 ( -7.218 -2.235 3.486) 8.322 13.186 ( -2.071 -0.726 -4.475) 4.984 14.286 ( -7.107 -10.084 18.857) 22.534 14.649 ( 3.829 1.617 -2.240) 4.722 15.692 ( -0.274 11.189 1.810) 11.338 16.255 ( 17.587 21.841 -6.658) 28.821 17.511 ( -0.312 1.193 1.058) 1.625 17.543 ( 0.244 1.263 -0.468) 1.369 19.091 ( -0.876 -0.056 1.893) 2.086 19.333 ( 1.343 0.905 -2.045) 2.609 19.706 ( -0.119 -9.739 1.716) 9.890 19.915 ( 0.973 -12.533 -2.563) 12.830 20.906 ( 2.033 0.245 0.474) 2.102 21.030 ( 14.907 9.643 -13.444) 22.270 22.011 ( 2.674 3.559 0.209) 4.456 22.130 ( 9.958 -14.698 25.261) 30.876 22.348 ( 4.286 -2.599 1.057) 5.123 22.773 ( 4.014 0.061 -0.144) 4.017 28.480 ( -14.021 -1.692 2.572) 14.355 28.811 ( -45.447 -24.555 -20.908) 55.728 29.394 ( 1.136 -3.866 -0.117) 4.031 29.669 ( -2.175 -8.187 0.565) 8.489 ======================= Grid point 97 (42/105) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 9.720 16.401 11.384) 22.205 1.216 ( -10.870 15.389 16.727) 25.195 1.513 ( -3.476 3.276 0.228) 4.781 2.124 ( 4.460 27.614 -8.163) 29.139 2.156 ( -4.557 5.566 -3.946) 8.204 2.443 ( -2.001 9.487 -7.912) 12.514 2.612 ( 1.933 13.465 5.441) 14.651 3.023 ( 10.428 -4.278 -6.761) 13.144 3.364 ( -2.983 -2.555 1.789) 4.315 3.433 ( 0.952 -5.284 1.822) 5.670 3.665 ( -2.780 -0.798 -4.792) 5.597 3.689 ( -2.126 0.073 -2.435) 3.233 4.056 ( -0.828 2.626 3.648) 4.570 4.105 ( 2.257 0.289 0.892) 2.444 4.289 ( -1.059 3.001 -0.822) 3.287 4.428 ( 3.091 -1.303 -0.135) 3.357 4.683 ( -7.330 -6.653 -1.291) 9.983 4.718 ( 2.899 -6.060 -4.355) 8.006 5.155 ( 0.345 -8.538 8.890) 12.330 5.319 ( -0.938 -14.284 5.204) 15.231 5.486 ( 3.980 -2.539 3.503) 5.879 5.605 ( -3.497 -1.395 0.018) 3.765 5.979 ( -0.320 1.695 0.065) 1.726 6.050 ( 1.151 0.878 -1.072) 1.801 6.572 ( -3.129 13.809 1.046) 14.198 6.715 ( 3.392 17.048 -2.350) 17.540 7.585 ( -2.638 8.648 5.707) 10.692 8.014 ( 1.193 5.388 -4.403) 7.060 8.465 ( 0.240 -0.053 0.379) 0.451 8.478 ( 0.965 3.385 0.593) 3.569 8.907 ( -1.071 11.053 2.660) 11.419 9.110 ( 0.340 6.420 -1.814) 6.680 9.824 ( -0.238 -9.195 0.695) 9.224 9.924 ( 0.071 -10.371 -1.092) 10.429 10.700 ( 0.787 16.842 -0.465) 16.867 10.742 ( 0.939 20.585 -2.722) 20.786 11.932 ( -0.830 0.033 1.336) 1.574 12.090 ( 0.533 0.824 -2.406) 2.599 12.500 ( 1.134 -2.585 7.158) 7.695 13.019 ( -0.834 -9.827 -4.711) 10.930 14.339 ( -5.026 9.502 8.854) 13.926 14.740 ( 2.699 3.760 -1.810) 4.970 16.021 ( -0.499 16.669 4.004) 17.151 16.564 ( 0.093 9.958 -9.185) 13.547 17.542 ( -0.828 1.980 1.006) 2.370 17.581 ( 0.193 2.247 -0.261) 2.271 19.089 ( -1.403 -0.924 2.769) 3.238 19.300 ( 0.782 -5.353 -1.412) 5.591 19.480 ( 1.092 -12.852 0.211) 12.900 19.618 ( 0.109 -11.365 -2.158) 11.569 20.825 ( -2.469 -7.982 -1.260) 8.450 21.091 ( 7.846 -5.988 -15.447) 18.331 21.880 ( -4.899 -5.942 9.946) 12.579 22.250 ( -3.366 -2.871 -1.673) 4.729 22.334 ( 2.366 -3.735 10.161) 11.081 22.760 ( -1.061 -3.543 -1.112) 3.862 28.313 ( 5.200 5.231 1.638) 7.555 28.427 ( -2.410 3.287 -1.066) 4.213 29.308 ( 0.671 -7.286 1.294) 7.430 29.424 ( -0.824 -11.503 -1.209) 11.596 ======================= Grid point 98 (43/105) ======================= q-point: ( 0.12 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -2.793 15.509 12.839) 20.326 1.376 ( 14.080 10.639 16.935) 24.459 1.455 ( 1.376 4.105 -7.580) 8.729 1.974 ( -6.888 4.789 -4.478) 9.510 2.147 ( 3.016 18.349 -6.895) 19.832 2.369 ( 4.306 18.702 -5.413) 19.940 2.720 ( 2.308 9.308 4.085) 10.424 3.140 ( 8.092 -1.722 -8.457) 11.831 3.233 ( -8.444 -3.313 -4.130) 9.966 3.442 ( -1.005 -1.080 0.515) 1.562 3.577 ( -2.328 -3.680 1.668) 4.663 3.648 ( -1.394 1.770 1.914) 2.956 4.075 ( -2.445 -0.238 3.778) 4.506 4.085 ( -3.569 2.644 2.008) 4.874 4.256 ( -5.391 0.329 -1.611) 5.636 4.415 ( -0.213 -4.790 -5.683) 7.435 4.544 ( 1.203 -1.820 3.398) 4.038 4.918 ( 13.657 -11.219 -3.052) 17.936 5.198 ( -4.557 -8.510 6.573) 11.679 5.315 ( -6.053 -14.796 5.451) 16.890 5.504 ( -4.984 -0.354 -2.493) 5.584 5.587 ( 1.979 -2.473 2.555) 4.070 5.949 ( -2.598 2.824 0.078) 3.838 6.064 ( 0.493 -1.748 -0.573) 1.904 6.491 ( -1.583 20.241 0.157) 20.303 6.871 ( 11.241 14.268 -1.266) 18.208 7.569 ( -5.920 8.411 5.824) 11.820 7.968 ( -0.615 4.886 -4.515) 6.681 8.464 ( -0.886 2.376 0.534) 2.591 8.505 ( 0.708 0.515 0.023) 0.876 8.916 ( 0.164 8.064 2.624) 8.481 9.145 ( 4.896 9.008 -1.734) 10.398 9.801 ( -2.975 -7.264 1.037) 7.918 9.907 ( -0.828 -10.189 -1.252) 10.299 10.645 ( -4.883 21.941 -1.204) 22.510 10.724 ( -0.692 16.092 -1.426) 16.170 11.928 ( -1.049 0.217 1.598) 1.924 12.084 ( 1.356 0.054 -2.052) 2.460 12.652 ( 5.800 -3.035 8.420) 10.666 12.950 ( -0.042 -11.309 -6.933) 13.264 14.330 ( -5.618 9.591 7.541) 13.432 14.763 ( 1.477 3.397 -1.377) 3.952 16.061 ( -0.909 17.188 5.467) 18.059 16.416 ( -4.152 14.547 -9.169) 17.690 17.535 ( -0.935 2.238 0.773) 2.546 17.581 ( 0.027 2.134 -0.194) 2.143 19.102 ( -0.570 -1.194 3.003) 3.281 19.308 ( 1.919 -4.803 -1.670) 5.435 19.485 ( -1.190 -10.528 0.323) 10.600 19.598 ( 0.629 -13.572 -2.326) 13.785 20.742 ( -4.555 -9.520 -1.279) 10.631 21.026 ( 1.246 -4.759 -10.911) 11.969 21.885 ( -8.413 -2.755 11.420) 14.449 22.124 ( -5.935 -1.376 -2.499) 6.584 22.415 ( -2.501 0.538 6.646) 7.121 22.698 ( -4.002 -7.064 -1.330) 8.227 28.401 ( 6.264 2.807 -1.582) 7.044 28.675 ( 24.117 -5.936 -0.692) 24.846 29.328 ( -0.702 -10.366 1.507) 10.498 29.402 ( 0.385 -9.040 -1.207) 9.128 ======================= Grid point 99 (44/105) ======================= q-point: ( 0.25 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -5.452 8.768 12.734) 16.394 1.445 ( 7.965 7.505 -7.555) 13.298 1.800 ( 13.016 9.685 0.071) 16.224 1.843 ( -1.426 3.036 5.748) 6.655 2.143 ( 5.113 11.934 -1.307) 13.048 2.429 ( 4.467 11.444 -4.657) 13.138 2.759 ( 1.674 5.494 -2.038) 6.094 3.004 ( -13.733 6.032 1.735) 15.100 3.111 ( 4.292 -2.647 -12.365) 13.354 3.481 ( -0.243 -2.627 2.087) 3.364 3.590 ( 1.262 -4.348 2.235) 5.049 3.663 ( -0.963 2.508 2.643) 3.769 4.009 ( -6.185 -5.427 2.580) 8.623 4.079 ( -2.625 3.236 2.069) 4.653 4.154 ( -0.768 1.987 -4.096) 4.617 4.328 ( -3.722 -2.248 1.142) 4.496 4.696 ( 6.767 -5.741 3.988) 9.729 5.055 ( 3.010 -8.954 -2.255) 9.712 5.156 ( -4.288 -5.142 2.766) 7.244 5.225 ( -7.033 -13.373 1.464) 15.180 5.432 ( 1.200 -2.747 -1.257) 3.251 5.597 ( -1.568 -0.032 -0.944) 1.831 5.893 ( -3.905 2.612 0.323) 4.709 6.039 ( -2.309 -1.562 -0.820) 2.906 6.554 ( 7.064 21.966 0.807) 23.088 7.025 ( 6.479 15.611 -1.111) 16.938 7.514 ( -6.294 7.434 5.368) 11.122 7.908 ( -0.776 4.569 -3.933) 6.079 8.448 ( -1.384 3.053 0.357) 3.371 8.490 ( -1.381 -0.713 -0.695) 1.703 8.994 ( 5.147 5.118 2.493) 7.675 9.219 ( 4.869 11.197 -1.544) 12.307 9.752 ( -3.618 -4.198 1.236) 5.678 9.856 ( -3.624 -9.157 -1.128) 9.912 10.540 ( -5.215 20.632 -0.406) 21.285 10.682 ( -1.865 14.790 -1.740) 15.008 11.936 ( -0.707 -0.423 2.478) 2.611 12.091 ( 1.904 -0.138 -2.062) 2.810 12.830 ( 3.833 -9.167 0.409) 9.945 12.895 ( 2.706 -8.406 -0.536) 8.847 14.305 ( -5.065 10.395 6.071) 13.060 14.759 ( 0.111 3.779 -2.022) 4.287 16.095 ( -2.052 18.073 5.389) 18.970 16.264 ( -3.144 17.449 -6.146) 18.765 17.527 ( -0.759 2.415 0.650) 2.614 17.578 ( -0.076 2.000 -0.100) 2.004 19.128 ( -0.322 -1.103 3.071) 3.279 19.331 ( 2.588 -3.604 -1.756) 4.772 19.449 ( -1.876 -7.462 -1.051) 7.766 19.590 ( 0.202 -17.383 -1.191) 17.425 20.651 ( -4.069 -11.487 -0.667) 12.205 20.924 ( -2.524 -2.521 -5.379) 6.454 21.821 ( -9.081 2.478 7.810) 12.231 22.045 ( -1.682 -2.502 1.010) 3.179 22.370 ( -5.801 -0.676 -3.184) 6.652 22.627 ( -3.144 -5.365 2.527) 6.712 28.582 ( 13.653 -1.579 1.016) 13.781 29.030 ( 16.615 -9.127 -4.817) 19.559 29.288 ( -3.489 -11.382 -1.639) 12.017 29.450 ( 4.431 -12.027 2.030) 12.977 ======================= Grid point 100 (45/105) ======================= q-point: ( 0.38 0.22 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -1.917 4.061 13.434) 14.165 1.530 ( 3.682 4.864 0.877) 6.164 1.813 ( 5.927 1.050 0.312) 6.028 2.045 ( 2.575 15.774 4.350) 16.564 2.352 ( 12.485 16.451 2.779) 20.838 2.411 ( 2.509 -2.131 -3.654) 4.918 2.675 ( -7.688 1.759 -2.733) 8.347 2.914 ( 1.368 4.744 1.816) 5.261 3.073 ( 4.831 -6.274 -11.482) 13.948 3.393 ( -8.353 -4.616 -1.579) 9.673 3.637 ( 0.217 -3.911 1.881) 4.345 3.657 ( -0.941 1.576 -0.315) 1.863 3.910 ( -6.942 -6.065 1.635) 9.362 4.047 ( -1.063 -0.473 -1.725) 2.081 4.120 ( 0.032 3.048 -1.549) 3.419 4.313 ( -3.177 2.946 3.665) 5.675 4.841 ( 5.722 -6.500 2.925) 9.140 4.983 ( -3.137 2.360 -3.410) 5.200 5.104 ( -3.510 -6.443 0.004) 7.337 5.160 ( -3.355 -9.329 2.131) 10.140 5.525 ( 6.648 -7.268 0.321) 9.856 5.542 ( -0.714 0.890 -2.300) 2.568 5.826 ( -3.712 2.277 0.989) 4.465 5.974 ( -3.467 1.330 -1.079) 3.867 6.711 ( 7.941 19.642 1.382) 21.232 7.062 ( -0.606 16.999 -1.338) 17.063 7.479 ( -3.685 7.942 5.136) 10.150 7.865 ( 0.471 4.399 -3.314) 5.527 8.425 ( -1.185 2.538 -0.142) 2.805 8.462 ( -0.675 -2.830 -0.755) 3.005 9.122 ( 5.095 7.724 2.411) 9.563 9.279 ( 3.718 9.922 -1.629) 10.720 9.701 ( -3.864 -3.388 1.502) 5.354 9.765 ( -4.012 -5.947 -1.406) 7.310 10.465 ( -3.042 18.089 0.425) 18.348 10.634 ( -0.774 12.907 -2.434) 13.157 11.944 ( -1.798 -1.897 2.852) 3.868 12.111 ( 2.836 0.467 -2.309) 3.687 12.818 ( 2.347 -14.098 -3.600) 14.739 13.001 ( 1.763 -6.604 3.193) 7.544 14.285 ( -3.914 11.441 5.304) 13.204 14.730 ( -0.029 5.025 -3.039) 5.873 16.097 ( -3.048 18.843 3.580) 19.421 16.183 ( -0.279 18.155 -3.211) 18.439 17.523 ( -0.493 2.433 0.718) 2.585 17.576 ( -0.069 1.896 -0.040) 1.898 19.149 ( -0.983 -0.681 2.720) 2.971 19.357 ( 2.411 1.442 -2.167) 3.548 19.415 ( -0.489 -9.893 -0.622) 9.924 19.573 ( -0.571 -20.027 -1.295) 20.077 20.594 ( -1.942 -12.446 0.486) 12.606 20.835 ( -2.244 -1.387 -2.685) 3.764 21.749 ( -5.852 4.449 3.857) 8.302 22.076 ( 1.067 1.883 2.381) 3.217 22.191 ( -5.467 -7.185 -4.643) 10.152 22.617 ( -1.619 -2.102 1.176) 2.902 28.864 ( 13.140 -8.751 4.243) 16.347 29.160 ( 0.786 -8.883 -4.451) 9.967 29.200 ( 0.271 -3.919 -1.097) 4.078 29.559 ( 4.744 -19.246 0.240) 19.823 ======================= Grid point 101 (46/105) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -9.635 8.658 17.967) 22.149 1.642 ( 6.311 -3.182 5.473) 8.939 2.003 ( 8.209 -1.449 6.913) 10.830 2.019 ( -8.118 10.025 0.283) 12.903 2.399 ( -0.250 14.481 -2.503) 14.697 2.560 ( 4.068 1.813 1.352) 4.655 2.624 ( 1.234 11.973 9.429) 15.290 2.901 ( -6.494 -1.851 -3.176) 7.462 3.025 ( 10.293 -8.593 -18.848) 23.131 3.285 ( 1.463 -5.603 -2.235) 6.207 3.587 ( -5.194 -3.553 0.507) 6.314 3.654 ( 1.030 -5.319 -2.877) 6.134 3.838 ( -2.354 -0.660 1.985) 3.149 3.991 ( -1.290 -1.360 -4.185) 4.586 4.143 ( 2.255 2.965 0.997) 3.857 4.244 ( -4.044 4.100 -0.799) 5.814 4.922 ( -2.681 -5.143 0.066) 5.801 4.974 ( 5.439 2.353 0.560) 5.952 5.074 ( 1.159 -6.514 0.609) 6.644 5.099 ( -5.294 -2.482 0.665) 5.884 5.532 ( 2.378 0.752 -0.509) 2.546 5.604 ( -0.246 -10.554 -0.878) 10.594 5.805 ( -0.451 1.803 2.046) 2.764 5.932 ( 1.265 3.589 -0.760) 3.881 6.815 ( -0.547 17.883 2.422) 18.055 7.016 ( -0.112 17.464 -2.480) 17.640 7.483 ( -2.551 9.180 5.293) 10.900 7.858 ( 2.530 3.983 -2.900) 5.538 8.408 ( -0.330 1.060 -0.434) 1.192 8.449 ( 0.279 -2.772 -0.999) 2.960 9.176 ( -2.733 11.999 1.975) 12.463 9.322 ( 2.672 6.372 -1.272) 7.026 9.645 ( -2.345 -3.943 0.691) 4.640 9.734 ( 1.863 -3.612 -0.706) 4.125 10.442 ( -0.331 17.128 0.896) 17.155 10.611 ( 1.466 11.761 -2.863) 12.193 11.932 ( -2.351 -2.584 2.199) 4.128 12.132 ( 1.941 0.286 -2.105) 2.878 12.873 ( 4.867 -14.511 1.276) 15.358 12.985 ( -4.666 -7.626 -1.151) 9.014 14.278 ( -3.192 12.419 5.276) 13.866 14.703 ( 1.325 6.280 -3.818) 7.468 16.067 ( -3.090 18.908 1.468) 19.215 16.186 ( 3.168 18.475 -1.049) 18.774 17.525 ( -0.297 2.368 0.927) 2.560 17.575 ( 0.043 1.826 -0.103) 1.829 19.147 ( -2.028 -0.023 2.143) 2.951 19.370 ( 2.208 6.136 -2.626) 7.030 19.415 ( -0.457 -13.911 0.827) 13.943 19.553 ( 0.884 -21.077 -2.055) 21.195 20.595 ( 0.444 -12.509 1.893) 12.660 20.803 ( 2.002 -1.792 -2.265) 3.515 21.695 ( -3.646 5.434 2.088) 6.868 21.986 ( -2.902 1.763 -5.580) 6.532 22.259 ( 5.983 -5.750 6.027) 10.256 22.571 ( -2.852 -2.179 -2.436) 4.338 28.995 ( -7.635 -9.051 0.984) 11.882 29.124 ( 6.357 -9.565 -0.208) 11.486 29.268 ( 4.170 -3.618 2.495) 6.058 29.586 ( -1.023 -22.142 -2.412) 22.296 ======================= Grid point 102 (47/105) ======================= q-point: (-0.38 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -13.528 10.110 15.059) 22.627 1.798 ( -13.790 0.309 -2.001) 13.938 1.821 ( 2.730 1.159 8.276) 8.791 2.125 ( -11.861 -0.746 3.196) 12.307 2.257 ( -2.137 6.123 1.382) 6.631 2.654 ( -0.130 7.723 1.406) 7.851 2.694 ( -4.574 14.599 1.175) 15.344 2.904 ( 13.457 5.742 8.099) 16.723 3.006 ( 10.709 -3.308 -19.854) 22.799 3.329 ( 5.333 -5.149 -6.104) 9.603 3.488 ( -4.825 -6.775 -1.668) 8.483 3.669 ( 2.567 -4.851 1.452) 5.677 3.866 ( 2.452 1.210 2.201) 3.510 3.940 ( 0.925 0.596 -3.859) 4.012 4.127 ( -0.764 2.967 -2.257) 3.805 4.303 ( 7.021 0.639 3.315) 7.790 4.855 ( -7.013 -9.185 3.490) 12.072 4.998 ( -0.478 -0.301 -3.977) 4.017 5.032 ( 0.988 -4.382 -1.157) 4.639 5.152 ( 2.288 -2.760 2.299) 4.258 5.530 ( -3.473 -7.926 -1.357) 8.759 5.584 ( 1.628 -0.992 0.177) 1.915 5.844 ( 2.421 4.462 1.509) 5.296 5.984 ( 4.086 -0.447 -1.056) 4.244 6.729 ( -9.557 19.138 1.941) 21.480 7.029 ( 2.193 17.077 -2.021) 17.335 7.490 ( -2.738 8.346 5.098) 10.156 7.893 ( 4.561 3.488 -2.642) 6.321 8.406 ( 0.621 1.225 -0.345) 1.416 8.453 ( 1.384 -1.245 -1.107) 2.166 9.085 ( -7.877 8.416 1.071) 11.577 9.321 ( -2.099 8.433 -0.232) 8.693 9.660 ( 2.895 -2.299 0.193) 3.701 9.798 ( 5.194 -6.495 -0.224) 8.320 10.471 ( 2.707 18.294 0.674) 18.506 10.625 ( 3.455 12.502 -2.729) 13.254 11.915 ( -1.675 -2.052 1.757) 3.178 12.136 ( 0.688 -0.211 -1.307) 1.492 12.824 ( -9.280 -7.168 -3.762) 12.314 12.993 ( 4.520 -13.872 3.353) 14.970 14.282 ( -2.984 12.799 5.906) 14.408 14.696 ( 2.557 6.435 -4.301) 8.152 16.027 ( -2.331 18.185 0.511) 18.341 16.273 ( 7.017 18.444 0.285) 19.736 17.531 ( -0.266 2.273 1.091) 2.535 17.575 ( 0.192 1.850 -0.250) 1.876 19.127 ( -2.522 0.555 1.903) 3.207 19.375 ( -0.087 0.420 -1.404) 1.468 19.409 ( 0.726 -11.355 -0.697) 11.400 19.570 ( 2.863 -18.396 -1.407) 18.671 20.640 ( 2.026 -10.750 2.132) 11.145 20.865 ( 8.215 -3.723 -3.497) 9.674 21.667 ( -2.535 5.388 3.476) 6.894 21.945 ( 3.453 0.885 -2.636) 4.434 22.394 ( -0.850 -0.805 1.024) 1.555 22.512 ( 3.574 -5.479 -0.731) 6.582 28.827 ( -11.519 -4.919 2.202) 12.717 29.198 ( 2.947 -6.103 -1.334) 6.908 29.366 ( -1.114 -15.698 3.840) 16.199 29.465 ( -6.305 -18.341 -4.396) 19.887 ======================= Grid point 103 (48/105) ======================= q-point: (-0.25 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -16.043 8.069 4.177) 18.437 1.457 ( -21.389 4.851 4.071) 22.307 1.751 ( -12.556 3.909 1.163) 13.201 2.060 ( 3.953 0.916 5.892) 7.154 2.278 ( -2.090 6.302 -1.897) 6.905 2.548 ( -2.345 18.205 -2.219) 18.489 2.700 ( -3.876 14.356 2.886) 15.148 2.990 ( 9.101 -1.544 -17.124) 19.453 3.257 ( 10.102 2.356 6.772) 12.388 3.352 ( 6.300 -0.154 -1.495) 6.477 3.406 ( -1.403 -9.217 -1.085) 9.386 3.763 ( 3.791 -2.176 4.248) 6.095 3.908 ( 1.164 -2.527 -2.326) 3.627 3.979 ( 5.192 5.414 1.180) 7.593 4.130 ( 4.049 1.951 -2.324) 5.060 4.466 ( 4.123 1.590 2.181) 4.928 4.748 ( -7.939 -9.570 6.945) 14.243 4.965 ( 0.942 -5.746 -3.500) 6.794 5.069 ( 1.009 -11.427 -2.157) 11.673 5.160 ( 0.007 -6.155 2.367) 6.595 5.470 ( -1.517 -2.018 -3.053) 3.961 5.605 ( 0.742 -0.596 0.783) 1.232 5.905 ( 2.750 6.139 0.625) 6.756 6.032 ( 2.545 -4.722 -1.027) 5.461 6.580 ( -7.682 21.160 1.441) 22.557 6.997 ( -4.213 15.825 -1.687) 16.463 7.506 ( -1.121 7.171 4.847) 8.727 7.955 ( 5.289 3.912 -2.805) 7.151 8.423 ( 1.349 2.282 0.109) 2.653 8.470 ( 1.476 1.015 -1.190) 2.151 8.960 ( -6.666 6.462 1.423) 9.392 9.255 ( -4.453 9.035 -0.440) 10.082 9.727 ( 3.838 -4.030 0.400) 5.580 9.884 ( 3.963 -9.692 -0.218) 10.473 10.550 ( 5.603 19.451 -0.257) 20.243 10.671 ( 4.309 15.228 -2.080) 15.962 11.914 ( -0.554 -0.901 1.642) 1.953 12.130 ( -0.109 0.067 -0.839) 0.849 12.612 ( -9.279 -5.158 -2.671) 10.947 13.077 ( 1.324 -12.805 1.787) 12.997 14.298 ( -3.095 12.077 7.286) 14.440 14.700 ( 2.945 5.665 -4.192) 7.638 16.000 ( -1.410 17.252 0.956) 17.336 16.430 ( 9.749 15.934 -0.375) 18.683 17.537 ( -0.345 2.144 1.127) 2.447 17.577 ( 0.302 2.017 -0.315) 2.064 19.104 ( -2.350 0.708 2.244) 3.326 19.342 ( -1.528 -7.283 -0.933) 7.500 19.429 ( 2.412 -7.811 -1.764) 8.363 19.609 ( 2.311 -14.835 -0.701) 15.030 20.720 ( 4.504 -8.701 2.189) 10.040 20.992 ( 12.041 -4.492 -8.942) 15.656 21.708 ( -0.089 0.616 10.220) 10.239 22.027 ( 6.093 2.860 -0.412) 6.743 22.296 ( -3.213 -2.395 -4.008) 5.668 22.644 ( 6.270 -3.598 2.064) 7.518 28.643 ( -12.111 -2.849 2.921) 12.780 29.062 ( -21.405 -15.868 -5.446) 27.197 29.251 ( 2.009 -9.532 -1.938) 9.933 29.454 ( -0.245 -10.919 2.017) 11.106 ======================= Grid point 104 (49/105) ======================= q-point: (-0.12 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -13.772 10.651 -1.238) 17.454 1.271 ( -14.434 14.109 15.566) 25.489 1.593 ( -7.445 4.278 2.128) 8.846 2.167 ( 0.104 16.786 -5.998) 17.826 2.188 ( 2.158 5.824 -0.023) 6.211 2.530 ( 1.230 5.482 -3.693) 6.723 2.610 ( -6.996 21.947 2.067) 23.127 2.971 ( 7.637 -3.252 -13.093) 15.503 3.323 ( 0.389 1.330 3.364) 3.638 3.412 ( 0.297 -9.000 2.614) 9.377 3.588 ( 10.555 -0.386 1.054) 10.614 3.802 ( -2.638 -1.180 -2.651) 3.921 3.960 ( 6.306 -0.845 1.636) 6.570 4.069 ( 2.448 5.365 0.512) 5.919 4.244 ( 10.623 2.065 0.095) 10.822 4.394 ( -7.218 2.079 -2.061) 7.789 4.756 ( -5.819 -8.231 4.870) 11.195 4.919 ( -7.377 -12.082 -4.040) 14.721 5.018 ( 3.034 -6.364 5.086) 8.694 5.258 ( 2.879 -11.882 3.649) 12.759 5.420 ( 0.965 -0.458 -1.693) 2.002 5.627 ( -0.339 -0.755 1.601) 1.802 5.954 ( 2.334 5.330 0.185) 5.822 6.051 ( 0.641 -4.551 -0.871) 4.677 6.526 ( 0.806 19.795 0.902) 19.832 6.849 ( -9.348 14.475 -1.778) 17.323 7.550 ( -0.294 7.866 5.094) 9.376 8.009 ( 4.046 5.001 -3.516) 7.330 8.450 ( 1.066 1.433 0.587) 1.880 8.471 ( 0.047 3.243 -0.758) 3.331 8.900 ( -2.071 8.021 2.090) 8.544 9.166 ( -4.136 7.929 -1.015) 9.000 9.793 ( 2.712 -7.354 0.481) 7.853 9.925 ( 1.157 -11.048 -0.543) 11.122 10.647 ( 5.329 17.067 -0.987) 17.907 10.725 ( 3.662 19.523 -1.903) 19.955 11.925 ( -0.131 -0.159 1.404) 1.419 12.113 ( -0.359 0.834 -1.675) 1.906 12.478 ( -4.773 -3.512 2.438) 6.408 13.076 ( -1.263 -10.593 -1.580) 10.784 14.323 ( -3.869 10.573 8.745) 14.255 14.714 ( 3.041 4.616 -3.147) 6.360 15.998 ( -0.748 16.679 2.268) 16.849 16.570 ( 7.455 10.715 -4.562) 13.828 17.542 ( -0.505 1.983 1.142) 2.343 17.579 ( 0.316 2.209 -0.291) 2.250 19.091 ( -2.015 -0.030 2.612) 3.299 19.311 ( -0.535 -6.553 -1.162) 6.676 19.454 ( 2.164 -11.214 -1.107) 11.474 19.629 ( 0.854 -12.326 -1.094) 12.404 20.822 ( 3.054 -8.258 1.579) 8.945 21.075 ( 12.040 -4.401 -15.714) 20.280 21.844 ( -2.227 -8.390 12.697) 15.381 22.136 ( 6.402 5.332 4.379) 9.412 22.269 ( 2.408 -5.204 -1.483) 5.923 22.744 ( 3.124 -2.579 0.599) 4.095 28.435 ( -13.299 -0.952 -1.433) 13.410 28.606 ( -18.301 -1.117 -1.563) 18.401 29.280 ( 1.703 -7.091 0.090) 7.293 29.450 ( -1.251 -11.747 0.204) 11.815 ======================= Grid point 105 (50/105) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 7.756 14.249 9.991) 19.053 1.493 ( -2.648 9.888 6.027) 11.879 1.568 ( -5.977 2.991 5.111) 8.413 2.084 ( -1.846 -9.301 -1.899) 9.670 2.466 ( 6.107 9.458 -7.310) 13.423 2.728 ( -0.372 13.485 -3.240) 13.873 2.869 ( 1.812 -1.707 -4.709) 5.327 3.066 ( 4.892 16.040 -6.351) 17.932 3.316 ( -1.329 -5.414 6.593) 8.634 3.398 ( -4.075 6.234 3.533) 8.243 3.622 ( -1.685 -3.415 -4.390) 5.811 3.725 ( -2.293 2.781 0.307) 3.617 4.047 ( 0.619 -0.206 3.353) 3.415 4.210 ( 2.448 4.780 -1.704) 5.635 4.295 ( -0.946 -2.323 -0.975) 2.691 4.386 ( -0.094 -1.281 -2.360) 2.687 4.555 ( -5.166 -5.410 -0.105) 7.481 4.589 ( 1.347 -4.976 -0.863) 5.227 4.985 ( -0.162 -7.659 5.391) 9.368 5.053 ( 1.075 -10.979 2.495) 11.310 5.464 ( 3.360 0.548 1.421) 3.689 5.588 ( -2.469 -0.781 -1.288) 2.892 5.973 ( -1.168 -1.396 0.117) 1.824 6.031 ( 2.033 -2.057 -0.997) 3.059 6.962 ( -1.782 22.014 1.802) 22.160 7.138 ( 1.730 21.141 -2.212) 21.326 7.760 ( -1.267 7.565 4.380) 8.833 8.093 ( 0.703 1.161 -3.248) 3.520 8.475 ( -1.157 2.111 0.725) 2.514 8.567 ( 1.371 4.028 -0.781) 4.326 9.014 ( -1.538 -2.726 1.437) 3.444 9.089 ( 1.208 -8.381 -0.589) 8.488 9.703 ( -0.556 -1.190 1.436) 1.947 9.784 ( 0.230 -2.443 0.165) 2.459 11.078 ( 1.541 19.166 1.326) 19.274 11.213 ( -1.395 23.521 -0.739) 23.574 11.973 ( -0.200 2.713 0.782) 2.831 12.083 ( -0.144 -0.825 -1.077) 1.364 12.418 ( 2.868 -5.327 3.211) 6.849 12.724 ( -1.637 -17.631 -3.035) 17.965 14.616 ( -2.334 14.875 2.970) 15.347 14.845 ( 2.188 5.734 -2.046) 6.469 16.348 ( -0.355 13.539 3.343) 13.950 16.706 ( -0.018 3.150 -4.694) 5.653 17.602 ( -0.300 3.809 0.389) 3.841 17.639 ( 0.040 3.219 -0.274) 3.231 19.008 ( -0.266 -9.764 1.170) 9.838 19.080 ( -1.591 -11.123 2.764) 11.571 19.274 ( -0.174 -4.103 0.878) 4.199 19.502 ( 1.150 -2.203 -2.705) 3.674 20.624 ( -2.358 -9.018 -1.379) 9.423 20.897 ( 5.642 -11.868 -11.312) 17.339 21.820 ( -2.028 0.334 8.307) 8.557 22.147 ( 0.925 -6.837 -0.624) 6.928 22.333 ( 0.318 3.048 4.650) 5.569 22.670 ( -1.878 -5.070 -2.175) 5.828 28.446 ( 1.776 7.157 0.822) 7.419 28.511 ( -1.142 4.695 -0.625) 4.872 29.138 ( 0.125 -8.669 0.374) 8.678 29.176 ( -0.222 -11.518 -0.447) 11.528 ======================= Grid point 106 (51/105) ======================= q-point: ( 0.12 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -2.931 8.726 4.219) 10.126 1.565 ( 4.803 7.831 2.753) 9.590 1.590 ( 7.613 8.354 11.587) 16.186 1.972 ( -6.654 -2.935 -3.069) 7.894 2.450 ( 0.054 10.354 -4.787) 11.407 2.667 ( -2.610 9.387 -4.203) 10.611 2.813 ( 1.648 -2.680 -10.160) 10.637 3.168 ( 6.650 3.603 -3.364) 8.278 3.298 ( -5.722 8.999 3.529) 11.233 3.372 ( -2.169 -4.429 2.443) 5.503 3.532 ( -1.188 -1.311 -1.146) 2.108 3.726 ( -0.934 5.268 4.573) 7.038 4.015 ( -7.083 -1.022 2.550) 7.597 4.208 ( -1.393 5.899 -0.992) 6.142 4.247 ( -4.719 -3.618 -3.200) 6.753 4.339 ( -0.087 -0.207 -0.416) 0.473 4.470 ( -0.404 -5.571 0.702) 5.629 4.701 ( 7.939 -8.307 -0.462) 11.500 5.019 ( -1.338 -8.105 4.683) 9.456 5.069 ( -2.309 -8.890 1.742) 9.348 5.506 ( -2.219 0.349 -1.265) 2.578 5.568 ( 3.619 0.070 0.222) 3.627 5.933 ( -2.084 -1.346 -0.654) 2.566 6.071 ( 2.124 -0.037 -0.329) 2.150 6.959 ( 0.565 23.207 1.138) 23.242 7.222 ( 8.413 18.111 -1.463) 20.023 7.735 ( -6.566 6.940 4.286) 10.471 8.046 ( -1.395 1.780 -3.241) 3.952 8.464 ( -1.143 0.424 1.070) 1.622 8.609 ( 2.701 6.811 -1.071) 7.405 8.905 ( -4.877 -8.834 0.733) 10.117 9.226 ( 8.299 -4.058 0.071) 9.238 9.703 ( -1.165 -0.432 1.620) 2.042 9.786 ( -0.091 -1.017 -0.078) 1.024 11.090 ( -2.338 19.500 1.933) 19.735 11.135 ( -5.333 23.186 -1.719) 23.854 11.964 ( -2.098 1.231 1.435) 2.824 12.077 ( 1.165 1.123 -1.208) 2.019 12.533 ( 3.728 -10.168 3.232) 11.301 12.658 ( 0.029 -14.532 -3.402) 14.925 14.601 ( -2.468 14.682 2.462) 15.091 14.862 ( 1.830 5.454 -1.833) 6.037 16.386 ( -0.201 12.839 4.451) 13.591 16.631 ( -1.790 5.831 -5.469) 8.192 17.600 ( -0.435 3.980 0.411) 4.025 17.634 ( -0.127 2.999 -0.305) 3.018 19.027 ( 0.475 -8.808 1.966) 9.038 19.082 ( -0.687 -11.821 1.681) 11.959 19.281 ( -0.652 -4.906 1.480) 5.166 19.491 ( 1.119 -1.001 -3.114) 3.457 20.531 ( -5.317 -8.633 -1.752) 10.289 20.855 ( 1.873 -11.194 -8.578) 14.226 21.867 ( -3.252 1.180 8.389) 9.074 22.089 ( -4.135 -2.395 -3.581) 5.971 22.405 ( 0.115 -0.847 6.955) 7.008 22.565 ( -5.559 -5.493 -3.476) 8.553 28.465 ( 2.530 3.534 -0.444) 4.369 28.643 ( 12.313 1.534 0.092) 12.408 29.104 ( -2.322 -10.155 0.115) 10.418 29.215 ( 3.041 -8.594 -0.107) 9.117 ======================= Grid point 107 (52/105) ======================= q-point: ( 0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -4.370 5.090 -2.253) 7.077 1.672 ( 6.859 10.899 0.292) 12.880 1.804 ( -2.189 -1.719 -4.832) 5.576 1.967 ( 8.999 4.036 15.731) 18.567 2.398 ( -2.485 10.507 -0.225) 10.799 2.545 ( -3.252 -0.046 -4.867) 5.854 2.755 ( 6.635 -2.004 -14.419) 15.998 3.095 ( -9.382 1.242 -1.506) 9.583 3.218 ( -3.894 8.755 -1.953) 9.779 3.379 ( -2.855 -6.529 4.096) 8.219 3.561 ( -1.580 0.423 4.402) 4.696 3.745 ( -3.519 3.640 4.037) 6.475 3.899 ( -5.903 -2.379 0.140) 6.366 4.144 ( -1.825 2.269 -2.681) 3.958 4.175 ( -2.429 -0.129 -0.192) 2.440 4.318 ( -1.528 1.397 4.343) 4.811 4.551 ( 5.209 -6.521 1.298) 8.446 4.840 ( 8.403 -9.601 -0.159) 12.760 5.017 ( -3.550 -7.266 -0.348) 8.094 5.050 ( 0.652 -5.001 1.767) 5.343 5.455 ( -0.451 3.717 -2.178) 4.332 5.612 ( 0.428 0.871 0.114) 0.977 5.893 ( -1.698 0.368 -0.464) 1.798 6.084 ( -0.157 2.377 -0.647) 2.469 7.015 ( 4.141 21.376 0.942) 21.794 7.360 ( 7.079 16.174 -1.129) 17.691 7.643 ( -6.829 4.288 3.106) 8.641 7.987 ( -1.674 2.307 -2.319) 3.674 8.449 ( -1.836 0.051 1.006) 2.094 8.579 ( -4.476 5.120 -0.722) 6.839 8.941 ( 7.395 -7.260 0.526) 10.376 9.345 ( 4.602 -3.695 -0.057) 5.902 9.698 ( -1.290 1.528 1.542) 2.525 9.778 ( -0.431 1.369 -0.417) 1.495 11.006 ( -6.375 23.283 -1.546) 24.189 11.040 ( -4.598 18.903 0.867) 19.473 11.930 ( -3.751 -2.393 2.201) 4.965 12.105 ( 3.269 3.874 -1.029) 5.172 12.508 ( -2.055 -19.425 -4.743) 20.102 12.742 ( 5.356 -8.172 3.347) 10.328 14.584 ( -2.049 14.965 2.246) 15.270 14.868 ( 1.158 5.814 -2.087) 6.285 16.426 ( -0.870 12.449 4.373) 13.223 16.545 ( -1.615 8.899 -4.332) 10.029 17.596 ( -0.430 4.158 0.364) 4.196 17.629 ( -0.165 2.863 -0.154) 2.872 19.059 ( 0.594 -10.430 1.883) 10.615 19.095 ( 0.472 -10.177 1.136) 10.251 19.272 ( -2.537 -6.071 1.773) 6.814 19.482 ( 1.685 1.449 -3.079) 3.797 20.420 ( -5.199 -8.786 -0.585) 10.226 20.791 ( -0.436 -10.054 -5.585) 11.510 21.870 ( -4.823 2.069 5.614) 7.685 21.986 ( -2.662 -2.584 -1.779) 4.114 22.360 ( -6.841 -0.158 -4.002) 7.928 22.520 ( -0.175 -4.723 4.974) 6.861 28.550 ( 6.889 -1.138 -0.031) 6.983 28.846 ( 8.465 -8.572 -1.089) 12.096 29.085 ( 1.110 -5.889 -0.048) 5.993 29.266 ( 2.459 -6.876 0.340) 7.310 ======================= Grid point 108 (53/105) ======================= q-point: ( 0.38 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 4.186 0.236 -1.346) 4.403 1.692 ( -7.859 5.239 5.479) 10.919 1.815 ( 8.049 2.411 -2.219) 8.691 2.271 ( 7.812 -2.329 9.186) 12.282 2.335 ( -4.999 6.635 -0.400) 8.317 2.559 ( 7.156 -0.578 1.770) 7.394 2.747 ( 7.867 3.032 -10.622) 13.561 2.902 ( -5.197 0.738 -4.826) 7.131 3.121 ( -6.041 6.691 -2.652) 9.396 3.292 ( -8.959 -4.635 1.421) 10.187 3.530 ( -5.101 -7.044 3.617) 9.419 3.666 ( -7.802 -1.944 1.665) 8.211 3.840 ( -1.378 0.723 0.404) 1.608 4.085 ( -0.886 4.237 -3.986) 5.884 4.153 ( -1.311 -1.640 1.466) 2.561 4.343 ( -2.226 0.155 3.703) 4.323 4.676 ( 5.934 -4.872 2.016) 7.938 4.944 ( 0.716 -6.992 -4.397) 8.291 4.992 ( 4.809 -4.188 1.840) 6.637 5.075 ( 1.054 -1.636 -0.018) 1.946 5.452 ( 1.135 2.952 0.072) 3.164 5.594 ( -1.386 2.559 -0.730) 3.000 5.868 ( -1.160 3.058 0.899) 3.392 6.056 ( -1.412 3.977 -1.227) 4.395 7.108 ( 4.452 17.644 1.117) 18.231 7.390 ( -2.316 14.025 -1.132) 14.260 7.619 ( 0.886 4.887 2.649) 5.629 7.942 ( -0.665 2.133 -2.053) 3.034 8.427 ( -1.338 -0.126 0.557) 1.455 8.487 ( -4.118 2.151 -0.557) 4.679 9.114 ( 10.139 -4.500 0.475) 11.103 9.373 ( -1.773 -4.494 -0.017) 4.831 9.693 ( -0.890 5.182 1.304) 5.417 9.765 ( -0.330 3.328 -0.624) 3.402 10.897 ( -3.800 22.612 -0.982) 22.950 10.965 ( -3.652 18.391 -0.165) 18.751 11.886 ( -3.594 -5.139 2.390) 6.711 12.153 ( 3.092 5.182 -2.298) 6.457 12.446 ( 0.180 -21.014 -1.618) 21.077 12.833 ( 1.724 -9.460 0.623) 9.636 14.580 ( -1.328 15.496 2.677) 15.781 14.863 ( 0.979 6.755 -2.203) 7.172 16.440 ( -2.008 12.673 2.903) 13.156 16.493 ( 0.039 10.569 -2.412) 10.841 17.593 ( -0.262 4.260 0.360) 4.283 17.625 ( -0.145 2.837 -0.025) 2.841 19.091 ( 1.794 -13.153 0.521) 13.285 19.116 ( 0.052 -9.737 1.240) 9.816 19.227 ( -4.491 -4.687 2.245) 6.869 19.487 ( 2.182 3.658 -2.466) 4.922 20.344 ( -3.046 -9.624 0.559) 10.110 20.726 ( -0.430 -9.088 -4.826) 10.299 21.826 ( -3.797 2.499 1.857) 4.910 21.979 ( 0.879 -6.289 2.226) 6.729 22.205 ( -4.844 4.524 -2.974) 7.265 22.549 ( -1.200 -4.278 1.520) 4.696 28.689 ( 7.271 -7.360 0.985) 10.393 28.884 ( -1.382 -14.254 -1.031) 14.357 29.154 ( 5.376 -1.015 -0.591) 5.503 29.303 ( 0.958 -6.607 0.373) 6.687 ======================= Grid point 109 (54/105) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 9.795 -3.523 3.140) 10.872 1.639 ( -8.979 6.953 12.466) 16.863 1.884 ( 4.126 -6.466 -7.309) 10.595 2.217 ( -9.813 5.750 5.349) 12.569 2.490 ( 6.907 -0.675 5.353) 8.765 2.595 ( -5.166 -0.165 3.321) 6.144 2.816 ( 3.613 -1.261 -9.187) 9.952 2.921 ( 0.264 1.356 -3.600) 3.856 2.980 ( 14.516 10.025 -2.722) 17.850 3.182 ( -4.031 -2.377 -1.344) 4.868 3.480 ( -3.295 -7.495 0.831) 8.230 3.553 ( -4.714 -3.441 1.148) 5.948 3.833 ( -0.541 -0.039 0.750) 0.926 4.036 ( 1.281 5.029 -5.092) 7.271 4.149 ( -1.636 -3.985 2.190) 4.832 4.313 ( -1.927 2.905 0.054) 3.487 4.733 ( -1.807 -5.550 0.734) 5.882 4.912 ( 0.277 -6.363 -3.643) 7.338 5.063 ( -0.223 -2.669 1.632) 3.137 5.099 ( 1.261 0.521 0.427) 1.430 5.478 ( 0.469 2.151 1.308) 2.560 5.573 ( 0.663 2.806 -1.054) 3.070 5.873 ( -0.049 4.311 2.046) 4.772 6.032 ( 0.734 4.486 -1.424) 4.763 7.167 ( -0.934 15.382 1.907) 15.528 7.336 ( 0.352 12.432 -1.919) 12.584 7.662 ( -0.924 7.455 3.237) 8.180 7.922 ( 1.265 1.178 -2.421) 2.975 8.413 ( -0.882 0.012 -0.014) 0.882 8.443 ( 0.514 1.123 -0.500) 1.333 9.270 ( -1.130 -2.422 0.540) 2.726 9.297 ( 0.927 -5.827 -0.030) 5.900 9.689 ( -1.194 6.732 1.089) 6.923 9.758 ( 0.459 3.814 -0.674) 3.900 10.858 ( 0.152 21.522 -0.455) 21.528 10.929 ( 0.731 19.013 -0.697) 19.040 11.860 ( -1.899 -5.691 2.219) 6.397 12.148 ( 0.717 1.697 -4.202) 4.588 12.500 ( 3.809 -19.496 3.790) 20.223 12.808 ( -2.764 -9.371 -3.282) 10.307 14.592 ( -1.110 16.135 3.370) 16.521 14.858 ( 1.194 7.649 -2.340) 8.087 16.418 ( -2.698 13.266 1.067) 13.580 16.499 ( 2.497 10.486 -0.625) 10.797 17.594 ( -0.128 4.285 0.495) 4.315 17.624 ( 0.028 2.842 -0.071) 2.843 19.104 ( -2.115 -15.007 -0.370) 15.160 19.135 ( 2.408 -15.836 -0.087) 16.018 19.184 ( -3.105 3.078 3.920) 5.872 19.501 ( 1.831 4.634 -2.044) 5.386 20.331 ( 0.344 -10.814 1.711) 10.954 20.685 ( 2.530 -9.419 -5.672) 11.283 21.798 ( -1.347 3.992 1.997) 4.662 21.982 ( -2.545 -2.018 -0.461) 3.280 22.203 ( 5.131 0.914 3.145) 6.087 22.501 ( -3.373 -4.348 -2.715) 6.136 28.779 ( -1.999 -10.000 1.076) 10.255 28.852 ( 2.328 -14.403 -0.378) 14.595 29.222 ( 1.663 -1.329 0.464) 2.179 29.297 ( -1.442 -6.396 -0.797) 6.604 ======================= Grid point 110 (55/105) ======================= q-point: (-0.38 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -7.584 6.835 -0.659) 10.231 1.644 ( -3.487 -3.039 6.804) 8.227 1.845 ( 1.566 -6.113 -1.564) 6.502 2.105 ( -13.013 -0.326 6.292) 14.458 2.389 ( -6.257 6.203 -1.258) 8.900 2.664 ( 1.352 -3.568 1.859) 4.244 2.896 ( 14.011 0.234 -0.825) 14.038 2.999 ( 5.867 7.995 -3.719) 10.592 3.076 ( 3.994 0.993 -4.195) 5.877 3.283 ( 12.713 3.416 0.478) 13.173 3.402 ( -3.765 -0.687 -3.037) 4.886 3.574 ( 2.972 -4.395 4.161) 6.743 3.839 ( 0.808 -1.822 0.888) 2.182 4.029 ( 3.372 4.750 -4.211) 7.188 4.136 ( -0.789 -2.172 0.448) 2.353 4.333 ( 2.804 2.776 2.747) 4.808 4.669 ( -5.505 -6.201 2.006) 8.531 4.859 ( -2.087 -8.923 -3.372) 9.765 5.025 ( -4.194 -0.355 -0.559) 4.246 5.081 ( -3.892 -4.178 0.552) 5.737 5.491 ( -0.023 3.241 0.376) 3.263 5.600 ( 2.409 2.843 -0.266) 3.736 5.908 ( 1.122 2.518 2.170) 3.508 6.042 ( 1.837 3.925 -2.031) 4.786 7.110 ( -5.899 16.879 1.267) 17.925 7.370 ( 3.445 14.733 -1.541) 15.208 7.640 ( -4.630 5.380 3.104) 7.747 7.944 ( 3.877 0.792 -2.191) 4.523 8.410 ( 0.696 0.770 0.245) 1.066 8.486 ( 4.485 1.778 -0.559) 4.857 9.115 ( -10.349 -2.962 0.486) 10.776 9.375 ( 1.571 -4.936 0.035) 5.180 9.677 ( -0.905 4.430 0.757) 4.584 9.764 ( 0.699 2.484 -0.428) 2.616 10.882 ( 3.380 19.498 -1.261) 19.829 10.983 ( 5.270 22.182 0.226) 22.801 11.869 ( 0.352 -4.013 2.041) 4.516 12.114 ( 0.248 -1.184 -3.027) 3.259 12.609 ( 0.849 -16.742 3.313) 17.088 12.693 ( -2.787 -9.884 -3.879) 10.977 14.607 ( -1.426 16.577 3.677) 17.039 14.853 ( 1.230 7.815 -2.875) 8.417 16.376 ( -2.486 13.813 0.198) 14.037 16.565 ( 4.652 8.761 0.438) 9.929 17.598 ( -0.146 4.139 0.550) 4.178 17.626 ( 0.322 2.999 -0.115) 3.018 19.055 ( -2.009 -15.626 -0.828) 15.776 19.139 ( -3.474 -6.413 3.434) 8.061 19.217 ( 2.618 -5.346 0.779) 6.003 19.507 ( 1.302 3.865 -2.016) 4.549 20.391 ( 3.614 -10.910 2.653) 11.795 20.707 ( 7.381 -10.907 -6.504) 14.688 21.792 ( -2.997 6.197 2.164) 7.216 21.971 ( 3.404 1.395 0.525) 3.716 22.363 ( 1.543 -2.166 0.713) 2.754 22.392 ( 1.421 -5.510 -1.331) 5.844 28.691 ( -6.847 -6.991 0.968) 9.834 28.906 ( 1.731 -15.979 -0.540) 16.082 29.173 ( -6.631 -2.611 -0.247) 7.131 29.281 ( 0.099 -4.776 -0.038) 4.777 ======================= Grid point 111 (56/105) ======================= q-point: (-0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -9.980 3.063 -10.306) 14.670 1.589 ( -10.325 7.283 9.293) 15.685 1.808 ( -11.032 0.218 2.310) 11.273 1.998 ( 1.197 -6.425 3.849) 7.584 2.364 ( 3.464 4.818 -4.135) 7.233 2.718 ( 3.832 -1.464 -1.452) 4.351 2.938 ( 1.071 7.391 -7.838) 10.826 3.083 ( 9.096 2.620 -2.176) 9.712 3.277 ( -4.135 0.624 1.888) 4.588 3.345 ( 14.707 3.599 -0.936) 15.169 3.422 ( 0.105 9.318 3.296) 9.884 3.702 ( 4.448 -3.843 5.636) 8.143 3.878 ( 2.631 -0.432 -0.456) 2.704 4.084 ( 6.963 1.562 -1.463) 7.285 4.150 ( 2.615 2.239 -1.340) 3.694 4.458 ( 4.853 -2.466 6.795) 8.707 4.585 ( -7.762 -3.770 2.334) 8.939 4.780 ( -2.681 -12.541 -2.836) 13.134 4.919 ( -4.055 -1.643 -2.375) 4.978 5.024 ( -2.240 -6.025 0.810) 6.478 5.477 ( -1.088 1.891 -1.662) 2.743 5.629 ( 0.529 1.994 0.533) 2.130 5.943 ( 0.603 -0.568 0.988) 1.289 6.046 ( 1.071 3.358 -1.851) 3.982 7.020 ( -4.966 20.296 1.135) 20.925 7.350 ( -4.689 17.608 -1.490) 18.283 7.627 ( 0.905 3.764 2.768) 4.759 8.006 ( 5.210 0.463 -1.900) 5.565 8.437 ( 1.424 1.324 0.838) 2.117 8.574 ( 5.252 5.323 -0.719) 7.512 8.947 ( -7.986 -5.539 0.640) 9.740 9.341 ( -4.913 -3.829 -0.120) 6.230 9.679 ( 0.136 0.224 0.809) 0.851 9.771 ( 0.463 -0.039 -0.227) 0.517 10.944 ( 4.923 18.683 -1.497) 19.379 11.098 ( 6.232 24.143 0.740) 24.945 11.910 ( 1.716 -1.077 1.758) 2.683 12.096 ( 0.262 -2.337 -1.256) 2.666 12.500 ( -5.383 -5.517 -4.700) 9.028 12.735 ( 1.544 -18.833 3.111) 19.151 14.618 ( -1.743 16.352 3.544) 16.822 14.842 ( 1.274 7.267 -3.261) 8.066 16.341 ( -1.719 14.129 0.680) 14.250 16.658 ( 4.944 5.741 -0.085) 7.577 17.600 ( -0.133 3.906 0.412) 3.930 17.632 ( 0.422 3.263 -0.052) 3.291 19.024 ( -0.710 -15.059 -0.588) 15.088 19.106 ( -4.232 -4.878 3.959) 7.575 19.260 ( 1.313 -6.359 0.282) 6.499 19.507 ( 1.252 1.185 -2.153) 2.758 20.506 ( 5.611 -9.791 2.661) 11.594 20.799 ( 10.559 -12.395 -7.769) 18.041 21.759 ( -2.719 4.139 3.103) 5.844 22.092 ( 6.070 0.697 2.718) 6.687 22.236 ( -3.033 -1.064 -5.484) 6.356 22.556 ( 6.524 -4.884 3.432) 8.843 28.573 ( -7.079 -2.797 0.491) 7.627 28.838 ( -9.171 -7.798 -1.330) 12.111 29.082 ( -1.154 -5.617 -0.109) 5.736 29.267 ( -1.970 -7.031 0.356) 7.310 ======================= Grid point 112 (57/105) ======================= q-point: (-0.12 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -2.087 11.698 -0.975) 11.923 1.510 ( -6.401 7.931 5.490) 11.577 1.653 ( -10.227 2.605 6.055) 12.167 2.078 ( 2.630 -11.397 0.971) 11.737 2.403 ( 7.794 8.298 -6.804) 13.263 2.746 ( 1.267 7.261 -1.846) 7.599 2.890 ( 3.866 1.315 -9.978) 10.781 3.128 ( -0.968 19.364 -5.558) 20.169 3.249 ( 0.569 -6.462 5.104) 8.255 3.415 ( -4.562 8.092 6.411) 11.287 3.584 ( 8.468 0.138 0.611) 8.491 3.775 ( -1.767 -1.462 0.946) 2.481 3.951 ( 5.694 -0.518 1.205) 5.843 4.183 ( 2.934 2.261 -2.043) 4.230 4.239 ( 10.188 0.394 -0.648) 10.216 4.429 ( -8.633 1.391 -0.347) 8.751 4.588 ( -0.034 -6.695 4.560) 8.100 4.685 ( -5.630 -9.355 -1.818) 11.069 4.899 ( 2.605 -5.300 2.249) 6.319 5.024 ( 0.342 -10.081 1.019) 10.138 5.435 ( -0.359 2.119 -1.508) 2.625 5.628 ( -1.393 -0.068 0.474) 1.473 5.960 ( 1.167 -2.182 0.038) 2.475 6.039 ( -0.295 0.916 -1.111) 1.469 6.971 ( -2.032 21.982 1.522) 22.128 7.216 ( -6.586 19.265 -1.788) 20.438 7.701 ( 2.610 6.193 3.228) 7.456 8.074 ( 4.352 0.524 -2.223) 4.915 8.469 ( 0.757 2.020 1.085) 2.414 8.599 ( -1.911 7.211 -1.190) 7.554 8.910 ( 3.802 -7.504 0.878) 8.458 9.217 ( -8.295 -4.748 -0.087) 9.558 9.693 ( 0.100 -1.449 1.112) 1.829 9.777 ( 0.337 -2.065 0.043) 2.093 11.018 ( 4.218 18.772 -0.321) 19.243 11.196 ( 3.436 24.117 0.275) 24.362 11.954 ( 1.185 1.691 1.088) 2.334 12.092 ( 0.133 -2.261 -0.536) 2.327 12.396 ( -1.843 -4.116 -1.304) 4.694 12.761 ( -0.619 -18.530 0.263) 18.542 14.621 ( -2.005 15.580 3.326) 16.057 14.835 ( 1.759 6.433 -2.842) 7.250 16.331 ( -0.941 14.053 1.915) 14.214 16.719 ( 2.896 3.120 -2.298) 4.838 17.602 ( -0.153 3.784 0.354) 3.804 17.638 ( 0.286 3.349 -0.116) 3.363 19.010 ( -0.599 -12.650 0.077) 12.665 19.083 ( -2.865 -7.777 3.768) 9.104 19.271 ( -0.124 -4.743 0.322) 4.756 19.507 ( 1.352 -1.517 -2.349) 3.106 20.617 ( 3.311 -9.348 1.237) 9.994 20.883 ( 9.257 -12.373 -10.809) 18.858 21.774 ( -1.782 0.822 6.590) 6.876 22.129 ( 0.409 -7.267 -1.649) 7.463 22.260 ( 4.454 6.025 2.214) 7.813 22.667 ( 3.041 -4.877 0.703) 5.790 28.463 ( -4.327 3.272 -0.517) 5.449 28.632 ( -10.449 2.508 -0.092) 10.747 29.101 ( 2.209 -9.296 0.046) 9.555 29.222 ( -3.061 -9.479 0.037) 9.961 ======================= Grid point 113 (58/105) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 5.797 9.129 6.743) 12.744 1.586 ( 0.607 -0.045 4.419) 4.461 1.672 ( -2.421 6.569 3.448) 7.804 1.860 ( 0.730 -10.918 1.733) 11.079 2.630 ( 3.807 6.852 -5.722) 9.704 2.763 ( 2.617 -5.996 -5.566) 8.590 2.971 ( -1.959 10.084 2.182) 10.502 3.164 ( -1.602 -8.413 6.236) 10.594 3.347 ( -3.097 9.983 -7.030) 12.596 3.517 ( -3.589 -6.337 -5.292) 9.003 3.630 ( -1.380 11.349 0.932) 11.470 3.762 ( 0.697 -0.753 0.421) 1.109 4.051 ( 3.904 1.062 3.454) 5.320 4.141 ( 2.478 -6.902 1.221) 7.434 4.325 ( -3.877 3.521 -3.740) 6.436 4.405 ( -0.473 -1.522 -3.682) 4.012 4.475 ( -3.918 1.521 0.424) 4.224 4.536 ( 1.695 -1.555 -0.742) 2.417 4.853 ( -0.200 -3.939 3.987) 5.608 4.871 ( 1.949 -5.683 3.640) 7.025 5.502 ( 1.001 2.711 0.181) 2.895 5.558 ( -1.048 -2.207 -0.855) 2.589 5.956 ( -0.159 0.217 -0.375) 0.462 5.983 ( 1.209 -2.146 -0.903) 2.623 7.401 ( -0.592 16.677 1.031) 16.720 7.489 ( 0.237 9.189 -0.873) 9.233 7.891 ( 0.003 5.442 2.654) 6.055 8.032 ( 0.080 -6.847 -0.347) 6.857 8.558 ( -2.545 5.780 0.126) 6.316 8.634 ( 1.567 1.372 -1.137) 2.372 8.854 ( -5.858 -7.905 -0.459) 9.850 8.878 ( 6.704 -8.709 -0.559) 11.005 9.733 ( -0.363 2.304 2.166) 3.184 9.765 ( -0.157 -0.720 1.686) 1.840 11.474 ( 0.097 17.657 3.509) 18.002 11.652 ( -3.769 11.842 3.896) 13.023 11.928 ( 0.803 -0.327 -1.584) 1.806 12.163 ( 4.674 4.069 -2.835) 6.814 12.244 ( -3.628 -12.027 0.708) 12.582 12.366 ( 2.757 -11.984 -2.780) 12.607 14.876 ( -0.390 8.435 -0.284) 8.449 14.939 ( 1.151 1.942 -1.539) 2.732 16.568 ( -0.328 7.850 1.291) 7.962 16.693 ( -0.244 -3.916 -1.479) 4.194 17.683 ( 0.282 3.086 -0.564) 3.150 17.699 ( 0.080 1.722 -0.583) 1.819 18.821 ( -0.590 -4.139 2.573) 4.910 18.870 ( -1.635 -7.886 2.865) 8.548 19.311 ( -1.271 5.450 1.813) 5.882 19.434 ( -0.245 -5.054 -0.235) 5.066 20.526 ( 0.304 0.710 -4.091) 4.163 20.650 ( 3.400 -10.233 -7.535) 13.155 21.876 ( 0.271 4.595 4.784) 6.639 21.999 ( 1.319 -6.842 2.142) 7.290 22.427 ( -0.927 5.520 0.501) 5.620 22.551 ( -1.690 -6.089 -1.590) 6.516 28.589 ( 0.368 5.496 0.239) 5.514 28.608 ( -0.138 3.590 -0.159) 3.596 28.973 ( -1.182 -5.835 -0.033) 5.954 28.976 ( 1.111 -6.416 -0.070) 6.512 ======================= Grid point 114 (59/105) ======================= q-point: ( 0.12 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -1.604 4.925 -0.580) 5.212 1.655 ( 2.137 -0.469 2.760) 3.522 1.764 ( 6.253 7.751 7.692) 12.584 1.891 ( 0.320 -4.613 3.609) 5.866 2.581 ( -2.455 4.201 -4.773) 6.815 2.683 ( -5.496 -5.606 -5.616) 9.653 2.915 ( -3.990 11.959 -1.760) 12.729 3.153 ( -4.748 -9.657 0.904) 10.799 3.275 ( -0.399 4.334 0.918) 4.448 3.389 ( -3.453 -4.925 -3.922) 7.181 3.645 ( 1.170 10.322 0.942) 10.430 3.784 ( 0.161 -1.782 0.645) 1.902 4.064 ( -8.699 5.010 3.832) 10.745 4.158 ( -2.868 -3.517 2.799) 5.332 4.261 ( -0.109 0.112 -5.053) 5.055 4.327 ( 1.650 -6.269 -3.444) 7.341 4.430 ( -0.650 7.228 0.910) 7.314 4.571 ( 2.417 -5.635 0.151) 6.133 4.900 ( 1.190 -2.407 2.787) 3.870 4.928 ( 0.490 -4.551 2.027) 5.006 5.525 ( 0.659 1.461 -0.145) 1.609 5.558 ( 2.472 -1.300 -0.578) 2.852 5.952 ( 0.918 3.027 -0.801) 3.263 6.030 ( 3.614 -3.524 -0.670) 5.092 7.399 ( -0.296 16.618 0.726) 16.636 7.523 ( 3.843 6.730 -0.461) 7.763 7.859 ( -6.248 6.123 2.117) 9.000 8.009 ( -1.995 -5.768 -0.202) 6.107 8.506 ( -2.410 3.984 0.401) 4.674 8.661 ( -2.892 -10.911 -0.047) 11.288 8.782 ( 3.980 9.465 -1.283) 10.348 9.019 ( 8.051 -12.460 -0.803) 14.856 9.753 ( 0.005 2.842 2.178) 3.581 9.786 ( 0.407 -0.314 1.461) 1.549 11.481 ( -3.927 16.861 4.204) 17.815 11.591 ( -6.177 16.159 1.803) 17.393 11.888 ( -3.581 -3.633 -0.749) 5.156 12.162 ( -5.214 -17.155 -1.105) 17.964 12.225 ( 5.491 6.151 -2.957) 8.759 12.429 ( 5.917 -9.701 -0.471) 11.373 14.867 ( -0.195 9.085 -0.538) 9.103 14.946 ( 1.295 1.213 -1.514) 2.333 16.581 ( -0.130 6.187 1.752) 6.431 16.666 ( -0.676 -1.872 -1.710) 2.624 17.682 ( 0.145 2.916 -0.432) 2.951 17.692 ( -0.039 1.830 -0.631) 1.936 18.841 ( -0.516 -4.468 2.875) 5.338 18.880 ( -0.485 -7.246 2.374) 7.641 19.310 ( -1.264 5.344 2.015) 5.850 19.434 ( 0.440 -5.067 -0.217) 5.090 20.454 ( -2.802 2.200 -3.997) 5.355 20.606 ( 0.470 -11.090 -6.366) 12.796 21.924 ( -1.118 3.964 4.116) 5.823 22.016 ( -1.593 -4.384 -0.417) 4.683 22.409 ( -1.903 1.572 2.885) 3.797 22.468 ( -4.609 -3.856 -1.892) 6.301 28.559 ( -0.997 5.414 -0.068) 5.505 28.658 ( 2.340 -2.270 -0.038) 3.260 28.968 ( 2.664 -0.943 0.001) 2.826 29.050 ( 5.088 -6.890 -0.049) 8.565 ======================= Grid point 115 (60/105) ======================= q-point: ( 0.25 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -3.536 7.210 -6.007) 10.028 1.660 ( 0.178 -7.191 -5.509) 9.060 1.923 ( 5.201 7.811 1.717) 9.540 2.011 ( 4.946 -0.458 9.633) 10.838 2.485 ( -2.902 -0.281 -1.970) 3.519 2.508 ( -6.901 -2.158 -1.867) 7.467 2.845 ( 1.140 9.991 -5.801) 11.609 3.048 ( -5.325 -7.076 -1.710) 9.019 3.281 ( -4.413 -1.030 4.326) 6.265 3.301 ( -5.228 -0.614 1.356) 5.436 3.605 ( -7.689 4.647 0.551) 9.001 3.722 ( -6.730 -5.030 -1.372) 8.514 3.958 ( -6.786 6.004 4.667) 10.192 4.090 ( -7.237 -6.031 5.130) 10.727 4.235 ( 2.778 5.559 -5.382) 8.221 4.340 ( 2.220 -2.545 -3.298) 4.721 4.514 ( 6.705 4.427 3.152) 8.631 4.660 ( 6.937 -7.987 1.865) 10.742 4.925 ( 0.076 -1.120 -0.669) 1.307 4.958 ( 2.406 -3.560 0.045) 4.297 5.539 ( 1.568 3.757 -0.474) 4.099 5.603 ( 1.949 -2.029 0.147) 2.818 5.964 ( 1.159 5.748 -0.830) 5.922 6.074 ( 1.933 -3.494 -0.910) 4.095 7.408 ( 0.497 15.083 0.410) 15.097 7.594 ( 3.195 -0.665 0.346) 3.282 7.747 ( -6.191 11.170 0.338) 12.776 7.961 ( -2.958 -5.993 0.023) 6.683 8.474 ( -2.065 2.589 0.815) 3.411 8.570 ( -5.527 -5.888 0.376) 8.084 8.916 ( 10.039 7.287 -1.001) 12.445 9.139 ( 6.158 -12.232 -0.809) 13.718 9.778 ( 0.523 3.250 1.518) 3.625 9.806 ( 0.459 0.367 0.769) 0.968 11.429 ( -6.237 16.972 3.491) 18.416 11.488 ( -5.998 20.546 0.265) 21.405 11.797 ( -6.068 -7.817 0.530) 9.910 12.047 ( -4.815 -22.279 -2.582) 22.939 12.293 ( 4.945 11.030 -2.173) 12.282 12.538 ( 5.749 -11.205 -0.176) 12.595 14.860 ( 0.040 9.729 -0.369) 9.736 14.952 ( 1.128 0.813 -1.431) 1.996 16.597 ( -0.318 4.439 1.859) 4.823 16.638 ( -0.678 0.622 -1.153) 1.475 17.679 ( 0.051 2.813 -0.353) 2.836 17.686 ( 0.005 1.929 -0.394) 1.969 18.859 ( -0.603 -4.535 2.333) 5.135 18.897 ( -0.124 -7.303 1.540) 7.465 19.307 ( -1.857 6.088 2.734) 6.927 19.445 ( 0.742 -5.349 0.405) 5.415 20.360 ( -3.145 3.855 -3.096) 5.860 20.545 ( -0.460 -12.039 -4.972) 13.034 21.907 ( -3.495 1.632 1.119) 4.016 21.942 ( -3.634 -1.773 -2.371) 4.687 22.374 ( -3.831 1.731 -0.068) 4.204 22.432 ( -0.725 -3.626 3.938) 5.402 28.561 ( 1.143 2.773 -0.082) 3.001 28.672 ( -0.354 -7.460 -0.177) 7.470 29.057 ( 6.258 2.239 -0.053) 6.647 29.141 ( 4.749 -5.241 0.016) 7.072 ======================= Grid point 116 (61/105) ======================= q-point: ( 0.38 0.44 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 1.675 6.119 -6.699) 9.227 1.581 ( -0.356 -10.232 -5.602) 11.671 2.013 ( 1.165 11.614 2.292) 11.895 2.209 ( 6.886 -5.230 6.042) 10.549 2.392 ( -4.224 1.332 -1.686) 4.739 2.483 ( 2.408 -5.548 1.657) 6.271 2.840 ( 4.010 7.922 -3.836) 9.672 2.952 ( -4.205 -0.293 0.914) 4.314 3.185 ( -7.100 -0.531 -0.966) 7.186 3.231 ( -4.886 -3.073 2.386) 6.246 3.444 ( -9.216 3.033 1.725) 9.855 3.575 ( -7.228 -6.439 -0.801) 9.714 3.901 ( -4.796 4.508 3.597) 7.500 4.028 ( -5.966 -7.509 4.786) 10.718 4.212 ( 1.310 7.036 -5.203) 8.849 4.333 ( 1.167 -3.112 -3.414) 4.764 4.676 ( 5.772 4.111 2.359) 7.469 4.806 ( 5.990 -7.090 -1.358) 9.380 4.935 ( 2.181 0.998 0.996) 2.597 5.004 ( 3.001 -4.342 -0.398) 5.293 5.565 ( 1.385 4.901 0.196) 5.097 5.620 ( -0.050 -0.496 0.281) 0.572 5.975 ( 0.698 6.507 -0.067) 6.545 6.080 ( 0.225 -2.262 -1.095) 2.523 7.423 ( 0.772 11.853 0.378) 11.884 7.569 ( -5.090 -0.592 0.099) 5.125 7.733 ( 3.316 9.195 0.302) 9.779 7.913 ( -2.259 -5.611 -0.188) 6.051 8.447 ( -1.685 1.811 0.578) 2.540 8.489 ( -3.588 -1.729 0.098) 3.983 9.082 ( 8.707 2.840 -0.393) 9.167 9.211 ( 2.328 -8.337 -0.464) 8.668 9.799 ( 0.291 3.071 0.824) 3.193 9.817 ( 0.123 1.087 0.186) 1.110 11.347 ( -5.616 18.367 1.983) 19.309 11.405 ( -3.162 23.465 0.521) 23.683 11.702 ( -5.138 -11.458 1.429) 12.638 11.956 ( -2.002 -24.703 -2.241) 24.885 12.347 ( 3.341 11.937 -1.791) 12.525 12.607 ( 2.924 -12.048 -2.075) 12.570 14.864 ( 0.387 10.055 0.530) 10.076 14.959 ( 1.069 0.985 -0.846) 1.682 16.604 ( -0.801 3.574 1.269) 3.876 16.619 ( -0.370 2.102 -0.438) 2.179 17.678 ( 0.180 2.783 -0.280) 2.803 17.684 ( 0.007 2.037 -0.139) 2.042 18.868 ( -0.615 -5.102 1.324) 5.307 18.901 ( -0.685 -7.331 0.439) 7.376 19.305 ( -2.251 7.497 4.011) 8.796 19.468 ( 0.435 -5.985 1.735) 6.247 20.283 ( -1.475 4.746 -3.336) 5.986 20.486 ( 0.180 -12.449 -5.480) 13.603 21.856 ( -2.270 0.894 0.486) 2.488 21.887 ( -0.912 -2.568 1.272) 3.007 22.318 ( -2.601 6.009 -0.333) 6.556 22.443 ( -1.509 -5.725 1.021) 6.008 28.591 ( 2.018 -1.195 0.129) 2.348 28.654 ( -1.260 -7.187 -0.084) 7.297 29.158 ( 4.657 1.409 -0.143) 4.867 29.208 ( 2.471 -3.284 0.046) 4.110 ======================= Grid point 117 (62/105) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 9.050 1.938 -2.932) 9.708 1.584 ( 5.292 -9.439 -2.077) 11.018 1.966 ( -7.052 11.813 -0.828) 13.783 2.199 ( -8.898 -8.101 0.642) 12.050 2.489 ( 7.166 1.916 5.743) 9.381 2.550 ( 0.202 -3.046 5.414) 6.215 2.853 ( -0.279 4.330 -4.910) 6.553 2.924 ( 2.453 -1.863 -2.520) 3.980 3.090 ( 1.003 4.360 1.608) 4.754 3.225 ( 1.618 -3.480 1.144) 4.005 3.356 ( -2.002 2.581 2.039) 3.851 3.476 ( -1.586 -4.907 -1.472) 5.362 3.858 ( -3.444 3.014 2.120) 5.044 3.975 ( -4.423 -7.941 3.107) 9.606 4.196 ( 3.320 7.505 -4.864) 9.540 4.326 ( 2.630 -3.358 -3.263) 5.371 4.713 ( -2.801 3.048 -0.289) 4.149 4.811 ( -1.155 -4.566 -3.871) 6.096 4.998 ( 0.633 -0.745 2.589) 2.767 5.045 ( 0.688 -3.721 0.569) 3.827 5.591 ( 0.061 4.499 1.204) 4.657 5.624 ( 0.508 1.090 0.619) 1.352 5.987 ( 0.238 6.079 0.595) 6.112 6.073 ( 0.743 -1.162 -1.149) 1.795 7.438 ( -0.709 9.568 0.821) 9.630 7.509 ( 0.328 3.248 -0.732) 3.346 7.784 ( -0.039 4.519 1.352) 4.717 7.882 ( -0.053 -4.559 -0.774) 4.625 8.432 ( -0.432 1.424 0.254) 1.509 8.453 ( -0.136 -0.318 -0.210) 0.404 9.197 ( 3.471 -2.400 -0.204) 4.225 9.202 ( -2.576 -2.567 -0.176) 3.641 9.799 ( -1.064 2.890 0.332) 3.097 9.815 ( -0.409 1.149 -0.007) 1.219 11.290 ( -2.139 19.390 0.852) 19.526 11.400 ( 1.418 24.248 1.663) 24.347 11.657 ( -1.444 -13.129 1.461) 13.289 11.935 ( 1.840 -23.453 -1.640) 23.582 12.374 ( 1.300 8.573 -0.899) 8.717 12.595 ( -0.292 -10.941 -4.437) 11.810 14.882 ( 0.305 10.042 1.450) 10.151 14.970 ( 0.802 1.586 -0.392) 1.820 16.595 ( -1.253 4.114 0.550) 4.336 16.619 ( 0.663 1.684 0.065) 1.811 17.680 ( 0.269 2.785 -0.112) 2.800 17.683 ( 0.131 2.168 -0.116) 2.175 18.859 ( -1.655 -5.416 0.465) 5.682 18.893 ( -0.065 -7.687 -0.005) 7.688 19.314 ( -2.206 8.612 4.943) 10.172 19.492 ( -0.552 -6.208 2.728) 6.803 20.246 ( 1.995 4.081 -3.778) 5.908 20.443 ( 2.744 -12.368 -6.805) 14.381 21.865 ( 0.986 2.754 3.210) 4.343 21.925 ( 0.902 -3.009 4.041) 5.118 22.276 ( -0.308 5.265 -1.496) 5.482 22.395 ( -2.750 -5.667 -2.654) 6.835 28.623 ( -0.566 -4.103 0.260) 4.150 28.633 ( 0.702 -5.515 0.071) 5.560 29.208 ( 0.464 -0.005 0.117) 0.479 29.224 ( -0.387 -1.694 -0.208) 1.750 ======================= Grid point 118 (63/105) ======================= q-point: (-0.38 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 3.940 0.835 -7.913) 8.879 1.656 ( 5.972 -8.686 -8.089) 13.287 1.830 ( -8.285 10.842 6.803) 15.247 2.033 ( -10.954 -7.390 2.918) 13.532 2.511 ( -3.969 5.168 0.504) 6.536 2.595 ( -1.414 -3.006 3.089) 4.536 2.904 ( 9.390 2.190 -0.033) 9.642 2.992 ( 4.983 -5.444 -1.866) 7.613 3.166 ( 5.281 7.607 3.137) 9.777 3.308 ( 5.793 -4.397 0.082) 7.273 3.443 ( 8.160 3.668 1.734) 9.113 3.509 ( 6.181 -2.110 -0.959) 6.602 3.836 ( -0.546 2.566 1.933) 3.258 3.952 ( -0.778 -7.617 2.134) 7.948 4.227 ( 5.413 8.149 -4.597) 10.809 4.365 ( 4.684 -2.775 -2.015) 5.805 4.610 ( -7.394 1.333 0.746) 7.550 4.702 ( -6.877 -5.978 -1.866) 9.301 4.995 ( -3.005 -0.418 1.124) 3.236 5.022 ( -3.839 -2.225 0.041) 4.437 5.580 ( -1.838 4.387 0.417) 4.775 5.642 ( -0.235 -0.619 0.782) 1.025 5.995 ( -0.113 5.514 0.464) 5.535 6.077 ( 0.755 -1.253 -1.309) 1.963 7.417 ( -1.387 11.922 0.279) 12.006 7.562 ( 4.713 0.231 -0.102) 4.720 7.747 ( -4.227 7.565 0.699) 8.695 7.903 ( 2.479 -5.174 -0.462) 5.755 8.442 ( 1.259 1.986 0.486) 2.401 8.484 ( 3.604 -1.679 -0.011) 3.975 9.099 ( -7.824 2.699 -0.077) 8.277 9.217 ( -1.476 -7.800 -0.362) 7.946 9.772 ( -2.073 3.126 0.118) 3.753 9.800 ( -1.252 0.296 0.029) 1.287 11.293 ( 1.663 19.487 0.229) 19.559 11.480 ( 3.779 21.851 3.333) 22.424 11.685 ( 3.532 -11.467 0.343) 12.003 11.979 ( 4.900 -17.515 -1.926) 18.289 12.378 ( -0.799 1.326 0.856) 1.769 12.513 ( -2.286 -8.322 -5.714) 10.351 14.899 ( -0.355 9.634 1.440) 9.748 14.973 ( 0.173 2.242 -0.827) 2.396 16.578 ( -1.042 5.842 0.265) 5.940 16.643 ( 1.591 -0.429 0.517) 1.727 17.682 ( 0.163 2.858 -0.215) 2.871 17.688 ( 0.468 2.184 -0.042) 2.234 18.830 ( -1.617 -4.199 0.275) 4.508 18.894 ( -0.455 -9.304 0.725) 9.343 19.326 ( -2.213 8.697 4.495) 10.037 19.498 ( -1.878 -5.626 2.271) 6.351 20.285 ( 6.246 2.327 -2.705) 7.194 20.454 ( 6.859 -11.859 -6.718) 15.258 21.912 ( -1.566 4.977 2.282) 5.695 21.981 ( 1.913 -1.184 2.872) 3.648 22.307 ( 0.711 -1.977 -2.164) 3.016 22.314 ( 2.309 -2.041 -0.442) 3.113 28.595 ( -1.920 -1.189 0.193) 2.266 28.660 ( 1.241 -7.475 0.035) 7.578 29.162 ( -4.814 1.071 -0.082) 4.933 29.205 ( -2.238 -2.852 -0.012) 3.625 ======================= Grid point 119 (64/105) ======================= q-point: (-0.25 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -1.120 7.863 -11.028) 13.590 1.630 ( 0.653 -9.193 -7.281) 11.745 1.777 ( -7.705 4.673 6.597) 11.168 1.890 ( -8.896 -4.588 4.817) 11.108 2.501 ( 5.420 7.684 -4.085) 10.252 2.645 ( 5.612 -5.331 -1.097) 7.818 3.005 ( 0.041 1.032 -1.435) 1.768 3.042 ( 2.562 -2.686 4.877) 6.129 3.369 ( 6.525 5.254 4.843) 9.677 3.421 ( 11.637 2.033 -4.978) 12.819 3.584 ( 4.438 2.792 1.459) 5.442 3.625 ( 4.956 -2.415 2.595) 6.093 3.896 ( 3.706 3.091 1.547) 5.068 4.003 ( 4.050 -6.095 1.262) 7.426 4.280 ( 5.617 8.319 -3.919) 10.775 4.431 ( 2.549 -2.054 0.897) 3.394 4.530 ( -1.801 -3.414 1.610) 4.182 4.563 ( -7.067 -5.307 1.237) 8.924 4.905 ( -6.705 0.079 -1.277) 6.826 4.932 ( -4.915 -2.675 -0.400) 5.610 5.544 ( -2.072 4.260 -0.327) 4.748 5.627 ( -1.957 -2.712 0.605) 3.399 5.985 ( -1.134 4.183 -0.299) 4.344 6.062 ( -1.060 -2.026 -1.261) 2.612 7.401 ( -0.760 15.157 0.276) 15.178 7.606 ( -2.850 -2.948 0.686) 4.157 7.720 ( 3.836 13.229 -0.290) 13.777 7.950 ( 3.140 -6.735 -0.213) 7.434 8.483 ( 2.158 3.082 0.971) 3.886 8.576 ( 6.169 -5.093 0.502) 8.015 8.935 ( -9.623 6.691 -0.631) 11.738 9.144 ( -5.741 -11.619 -0.728) 12.980 9.737 ( -1.888 3.054 0.537) 3.631 9.776 ( -1.530 -0.600 0.391) 1.689 11.344 ( 3.409 18.967 0.456) 19.277 11.577 ( 1.938 13.856 4.564) 14.716 11.783 ( 7.237 -3.972 -1.090) 8.327 12.053 ( 5.686 -8.423 -2.638) 10.500 12.360 ( -3.130 -5.947 1.665) 6.924 12.414 ( -1.626 -7.441 -4.764) 8.984 14.899 ( -0.848 8.901 0.688) 8.968 14.959 ( -0.116 2.604 -1.600) 3.058 16.566 ( -0.673 7.679 0.558) 7.729 16.679 ( 1.589 -2.929 0.393) 3.355 17.683 ( 0.321 3.082 -0.419) 3.126 17.696 ( 0.442 1.945 -0.112) 1.998 18.812 ( -1.107 -3.544 0.941) 3.830 18.889 ( -1.698 -9.702 1.844) 10.021 19.327 ( -2.181 7.522 3.121) 8.431 19.476 ( -2.269 -5.047 1.004) 5.624 20.399 ( 8.218 0.954 -1.533) 8.414 20.539 ( 9.385 -11.086 -5.907) 15.680 21.869 ( -2.790 6.145 -0.309) 6.756 22.006 ( -1.203 -6.571 -0.901) 6.741 22.309 ( 3.967 5.955 0.441) 7.169 22.439 ( 5.846 -6.152 2.782) 8.931 28.565 ( -1.296 2.477 0.006) 2.796 28.673 ( 0.177 -7.369 -0.146) 7.372 29.056 ( -6.231 2.351 -0.066) 6.660 29.141 ( -4.659 -5.235 0.027) 7.008 ======================= Grid point 120 (65/105) ======================= q-point: (-0.12 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 3.220 11.615 -1.416) 12.136 1.567 ( -1.363 -4.435 -0.727) 4.696 1.707 ( -6.029 3.885 4.585) 8.513 1.837 ( -1.263 -9.258 1.973) 9.550 2.578 ( 7.725 8.334 -5.304) 12.541 2.732 ( 6.155 -5.688 -3.986) 9.281 2.983 ( -0.765 6.189 -0.755) 6.282 3.115 ( -0.156 -6.335 5.393) 8.321 3.432 ( 1.100 10.193 -2.704) 10.603 3.562 ( 3.875 -1.517 -2.110) 4.665 3.634 ( -0.154 7.175 2.336) 7.548 3.730 ( 2.196 -3.045 3.235) 4.955 3.957 ( 3.306 2.964 0.182) 4.444 4.082 ( 3.894 -7.162 -0.835) 8.195 4.355 ( 5.849 6.117 -2.127) 8.727 4.433 ( -3.666 -1.313 0.635) 3.945 4.514 ( -0.876 -0.885 0.936) 1.558 4.540 ( -0.226 -4.249 0.175) 4.258 4.813 ( -1.499 -1.870 1.500) 2.827 4.855 ( -2.789 -5.604 0.782) 6.308 5.506 ( -1.266 4.324 -0.486) 4.532 5.593 ( -2.160 -3.364 0.155) 4.001 5.960 ( -0.620 2.059 -0.601) 2.233 6.017 ( -2.341 -2.567 -0.967) 3.607 7.397 ( -0.270 16.570 0.651) 16.585 7.533 ( -3.938 6.399 -0.244) 7.518 7.819 ( 5.005 7.081 1.138) 8.746 8.005 ( 2.803 -7.480 -0.020) 7.988 8.534 ( 2.321 4.567 0.917) 5.205 8.688 ( 2.187 -10.072 0.400) 10.314 8.776 ( -2.970 9.289 -1.369) 9.848 9.009 ( -7.921 -12.288 -0.963) 14.651 9.723 ( -0.871 2.502 1.451) 3.021 9.760 ( -1.019 -0.925 1.160) 1.800 11.415 ( 2.919 18.346 1.776) 18.662 11.641 ( -0.421 9.629 4.753) 10.746 11.889 ( 5.438 0.683 -1.645) 5.722 12.115 ( 4.500 -0.585 -2.930) 5.402 12.299 ( -3.511 -5.666 -0.048) 6.666 12.372 ( 0.135 -13.797 -2.116) 13.959 14.888 ( -0.724 8.327 0.069) 8.359 14.942 ( 0.420 2.513 -1.788) 3.113 16.564 ( -0.502 8.483 0.925) 8.548 16.700 ( 0.690 -4.347 -0.500) 4.429 17.684 ( 0.368 3.169 -0.566) 3.240 17.701 ( 0.290 1.753 -0.349) 1.810 18.810 ( -0.845 -3.700 1.845) 4.220 18.876 ( -2.263 -8.882 2.690) 9.553 19.318 ( -1.795 6.167 2.105) 6.759 19.449 ( -1.322 -4.965 0.112) 5.139 20.509 ( 5.489 0.273 -2.353) 5.979 20.630 ( 7.514 -10.293 -6.723) 14.408 21.841 ( -0.934 5.091 2.078) 5.577 21.973 ( -0.297 -7.218 -0.307) 7.230 22.398 ( 3.302 7.009 1.234) 7.845 22.544 ( 2.993 -6.704 0.838) 7.389 28.558 ( 0.780 5.470 -0.098) 5.526 28.655 ( -2.232 -2.105 -0.092) 3.069 28.970 ( -2.535 -1.009 0.034) 2.729 29.050 ( -5.110 -6.916 -0.034) 8.599 ======================= Grid point 153 (66/105) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 11.704 0.000 19.456) 22.705 0.886 ( -4.441 0.000 16.820) 17.397 1.282 ( -11.248 0.000 -16.672) 20.111 1.294 ( 4.342 0.000 -9.000) 9.992 1.754 ( -8.619 0.000 20.793) 22.509 2.115 ( -2.496 0.000 -12.438) 12.686 2.487 ( 0.237 0.000 16.234) 16.235 2.891 ( 6.727 0.000 -18.999) 20.154 3.437 ( 7.801 0.000 1.158) 7.887 3.470 ( -3.034 0.000 -1.880) 3.569 3.763 ( -2.663 0.000 3.307) 4.246 3.864 ( -0.973 0.000 -5.409) 5.496 3.922 ( 2.110 0.000 0.053) 2.110 3.922 ( -4.624 0.000 0.027) 4.624 4.414 ( 11.924 0.000 1.989) 12.089 4.419 ( 6.631 0.000 5.449) 8.583 4.615 ( -17.545 0.000 -3.053) 17.809 4.731 ( 4.490 0.000 -9.030) 10.085 5.560 ( 5.348 0.000 3.298) 6.283 5.602 ( -3.446 0.000 -0.922) 3.567 5.758 ( -1.943 0.000 1.266) 2.319 5.794 ( 1.663 0.000 -2.275) 2.818 6.037 ( 5.106 0.000 14.839) 15.693 6.311 ( -8.530 0.000 -10.982) 13.906 6.400 ( -2.289 0.000 1.692) 2.847 6.433 ( 2.136 0.000 -1.335) 2.518 7.540 ( -5.566 0.000 10.007) 11.451 7.731 ( 4.014 0.000 -7.860) 8.826 8.355 ( -1.074 0.000 3.469) 3.632 8.452 ( 2.573 0.000 -5.592) 6.155 8.659 ( -2.570 0.000 3.044) 3.983 8.719 ( 3.114 0.000 -2.574) 4.040 10.011 ( 0.489 0.000 6.874) 6.892 10.132 ( -2.915 0.000 -3.178) 4.313 10.221 ( 5.710 0.000 -1.369) 5.872 10.237 ( -2.688 0.000 -1.724) 3.193 12.007 ( 3.214 0.000 0.794) 3.311 12.019 ( -3.616 0.000 -0.364) 3.634 12.747 ( -1.628 0.000 11.474) 11.588 12.990 ( 4.135 0.000 -10.969) 11.723 14.692 ( 6.161 0.000 2.039) 6.490 14.738 ( -12.165 0.000 -2.253) 12.372 15.656 ( 0.756 0.000 1.538) 1.714 15.691 ( -2.126 0.000 -1.702) 2.724 17.496 ( -0.650 0.000 0.561) 0.859 17.512 ( 0.555 0.000 -0.839) 1.006 19.177 ( -1.441 0.000 3.933) 4.189 19.259 ( 1.361 0.000 -3.729) 3.969 19.882 ( -3.322 0.000 4.250) 5.394 19.978 ( 3.492 0.000 -4.658) 5.822 20.894 ( -0.294 0.000 4.507) 4.517 20.986 ( 2.219 0.000 -4.052) 4.620 22.135 ( 3.588 0.000 5.948) 6.947 22.267 ( -3.979 0.000 -6.266) 7.422 22.856 ( 12.578 0.000 1.369) 12.653 22.881 ( -21.655 0.000 -1.039) 21.679 28.290 ( 23.800 0.000 0.930) 23.818 28.313 ( -12.965 0.000 -1.141) 13.015 29.554 ( 3.248 0.000 4.303) 5.391 29.642 ( -3.165 0.000 -3.883) 5.009 ======================= Grid point 154 (67/105) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 10.767 0.000 -14.774) 18.281 1.093 ( -1.686 0.000 13.363) 13.469 1.133 ( 9.956 0.000 1.803) 10.117 1.436 ( 13.443 0.000 3.447) 13.878 1.934 ( 4.337 0.000 21.021) 21.464 1.962 ( -2.648 0.000 -5.785) 6.363 2.636 ( -2.194 0.000 13.255) 13.435 2.795 ( 8.268 0.000 -21.858) 23.369 3.248 ( -14.910 0.000 -7.698) 16.780 3.514 ( 2.269 0.000 -1.040) 2.496 3.780 ( -0.915 0.000 7.331) 7.388 3.808 ( 0.164 0.000 -2.951) 2.956 3.904 ( -0.003 0.000 0.741) 0.741 3.981 ( 1.544 0.000 4.068) 4.351 4.225 ( -9.578 0.000 -6.499) 11.575 4.396 ( -3.446 0.000 -8.425) 9.102 4.730 ( 8.564 0.000 9.399) 12.716 5.010 ( 23.948 0.000 -2.572) 24.086 5.446 ( -10.874 0.000 -2.199) 11.094 5.606 ( -1.977 0.000 -0.725) 2.106 5.775 ( 2.455 0.000 2.362) 3.406 5.812 ( 0.773 0.000 -1.468) 1.659 5.948 ( -16.314 0.000 -7.856) 18.106 6.150 ( -10.182 0.000 12.137) 15.843 6.368 ( -2.556 0.000 0.749) 2.663 6.440 ( 0.012 0.000 -0.211) 0.211 7.530 ( -7.484 0.000 10.224) 12.670 7.704 ( 2.380 0.000 -7.523) 7.890 8.382 ( -0.074 0.000 3.525) 3.525 8.448 ( 3.886 0.000 -6.118) 7.248 8.672 ( 0.652 0.000 2.958) 3.029 8.762 ( 4.814 0.000 -3.356) 5.868 10.025 ( -4.256 0.000 -4.034) 5.865 10.071 ( -2.455 0.000 6.792) 7.222 10.162 ( -2.738 0.000 -2.189) 3.505 10.293 ( 3.599 0.000 -1.360) 3.848 11.967 ( -0.946 0.000 -0.578) 1.108 12.064 ( 1.359 0.000 1.195) 1.810 12.885 ( 4.348 0.000 9.244) 10.215 12.950 ( 5.599 0.000 -13.059) 14.209 14.502 ( -14.034 0.000 4.776) 14.824 14.799 ( 0.845 0.000 4.270) 4.353 15.629 ( -3.161 0.000 -0.002) 3.161 15.668 ( -1.464 0.000 1.422) 2.041 17.492 ( -0.604 0.000 0.807) 1.008 17.514 ( 0.579 0.000 -0.635) 0.859 19.194 ( -1.157 0.000 3.608) 3.789 19.235 ( 0.383 0.000 -3.749) 3.768 19.868 ( -3.297 0.000 4.359) 5.466 19.994 ( 3.743 0.000 -4.668) 5.983 20.908 ( -2.878 0.000 2.662) 3.921 20.943 ( -0.633 0.000 -5.294) 5.332 22.112 ( -5.277 0.000 -4.984) 7.258 22.178 ( -11.538 0.000 6.679) 13.331 22.522 ( -12.524 0.000 7.905) 14.810 22.938 ( -7.325 0.000 0.547) 7.346 28.312 ( 16.485 0.000 1.742) 16.577 28.801 ( 30.287 0.000 -12.584) 32.797 29.545 ( -3.069 0.000 -4.389) 5.356 29.701 ( 9.497 0.000 2.871) 9.921 ======================= Grid point 155 (68/105) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 21.058 0.000 -2.509) 21.207 1.263 ( 1.924 0.000 13.351) 13.488 1.308 ( 15.275 0.000 -8.544) 17.502 1.677 ( -2.829 0.000 22.017) 22.198 1.935 ( 1.954 0.000 2.960) 3.546 2.273 ( 14.478 0.000 2.797) 14.746 2.711 ( -1.204 0.000 10.807) 10.874 2.733 ( 4.892 0.000 -14.185) 15.005 2.932 ( -4.672 0.000 -10.932) 11.888 3.505 ( -1.097 0.000 -4.167) 4.309 3.811 ( 2.918 0.000 -1.610) 3.333 3.836 ( -1.370 0.000 5.257) 5.432 3.899 ( -1.724 0.000 0.627) 1.835 4.058 ( -0.867 0.000 8.578) 8.622 4.072 ( -1.447 0.000 -4.540) 4.765 4.218 ( -3.252 0.000 -13.636) 14.018 4.938 ( 3.310 0.000 7.359) 8.069 5.124 ( -11.115 0.000 -4.565) 12.015 5.382 ( 0.779 0.000 3.252) 3.343 5.504 ( -4.939 0.000 -4.556) 6.719 5.637 ( 1.534 0.000 -7.785) 7.935 5.832 ( -0.835 0.000 0.565) 1.008 5.856 ( -3.370 0.000 2.074) 3.957 5.998 ( -8.361 0.000 6.566) 10.630 6.339 ( -0.291 0.000 -0.852) 0.900 6.416 ( -3.653 0.000 0.785) 3.737 7.500 ( -8.137 0.000 10.790) 13.514 7.670 ( 2.575 0.000 -6.718) 7.195 8.425 ( 0.459 0.000 3.508) 3.538 8.459 ( 4.858 0.000 -6.636) 8.224 8.738 ( 2.075 0.000 3.902) 4.419 8.810 ( 4.385 0.000 -3.368) 5.529 9.909 ( -3.825 0.000 -3.405) 5.121 10.030 ( -4.985 0.000 -0.969) 5.079 10.138 ( -1.963 0.000 5.038) 5.407 10.320 ( 1.659 0.000 -2.159) 2.723 11.979 ( 2.671 0.000 -0.537) 2.724 12.078 ( -0.807 0.000 1.076) 1.344 12.930 ( 6.457 0.000 -9.538) 11.518 13.070 ( 6.479 0.000 5.416) 8.445 14.351 ( -10.646 0.000 7.799) 13.197 14.779 ( -6.129 0.000 0.434) 6.145 15.584 ( -2.206 0.000 0.497) 2.262 15.639 ( -1.900 0.000 -0.449) 1.953 17.492 ( -0.509 0.000 1.063) 1.178 17.518 ( 0.531 0.000 -0.477) 0.714 19.197 ( -0.097 0.000 -3.562) 3.563 19.207 ( -1.142 0.000 2.417) 2.673 19.860 ( -3.020 0.000 4.786) 5.659 20.011 ( 3.913 0.000 -5.110) 6.437 20.853 ( -4.442 0.000 0.437) 4.464 20.877 ( -0.828 0.000 -3.933) 4.019 21.948 ( -17.334 0.000 7.061) 18.717 21.981 ( -4.979 0.000 -3.469) 6.068 22.531 ( -0.621 0.000 5.633) 5.668 22.686 ( -11.088 0.000 -7.265) 13.256 28.870 ( 26.936 0.000 18.803) 32.849 29.047 ( 13.904 0.000 -11.472) 18.026 29.433 ( -4.694 0.000 -3.489) 5.849 29.926 ( 13.844 0.000 -2.675) 14.100 ======================= Grid point 156 (69/105) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -5.098 0.000 14.168) 15.058 1.493 ( 16.351 0.000 -10.940) 19.674 1.659 ( 22.540 0.000 6.475) 23.451 1.793 ( -12.643 0.000 25.510) 28.471 2.089 ( 10.090 0.000 6.635) 12.077 2.411 ( 0.980 0.000 0.566) 1.132 2.658 ( -4.396 0.000 4.690) 6.428 2.875 ( 9.885 0.000 -0.524) 9.898 2.878 ( 10.117 0.000 -16.715) 19.539 3.371 ( -5.721 0.000 -9.020) 10.682 3.840 ( -2.926 0.000 3.282) 4.397 3.853 ( 2.671 0.000 -1.607) 3.117 3.870 ( -1.372 0.000 0.510) 1.464 3.994 ( -3.484 0.000 -13.346) 13.793 4.047 ( 3.698 0.000 -4.842) 6.093 4.096 ( -6.885 0.000 8.274) 10.763 4.886 ( -9.091 0.000 -1.356) 9.192 4.957 ( -6.035 0.000 0.824) 6.091 5.291 ( -3.588 0.000 0.144) 3.591 5.423 ( 2.742 0.000 -3.152) 4.178 5.628 ( -15.175 0.000 1.868) 15.290 5.714 ( 1.428 0.000 -3.596) 3.869 5.889 ( 8.972 0.000 1.420) 9.084 6.116 ( 5.629 0.000 4.511) 7.213 6.323 ( -7.157 0.000 0.584) 7.181 6.339 ( 1.422 0.000 -1.668) 2.192 7.476 ( -7.663 0.000 11.417) 13.750 7.657 ( 3.729 0.000 -6.270) 7.295 8.459 ( -0.876 0.000 2.805) 2.938 8.482 ( 5.385 0.000 -6.180) 8.197 8.805 ( 0.151 0.000 4.078) 4.081 8.848 ( 3.689 0.000 -2.824) 4.646 9.829 ( -1.528 0.000 -2.123) 2.616 9.918 ( -4.934 0.000 -2.237) 5.417 10.166 ( -1.644 0.000 5.860) 6.086 10.315 ( 1.154 0.000 -3.161) 3.365 12.031 ( 3.385 0.000 -0.854) 3.491 12.067 ( -1.691 0.000 1.230) 2.091 12.995 ( 8.357 0.000 -3.263) 8.971 13.192 ( 2.140 0.000 1.336) 2.522 14.278 ( -7.549 0.000 8.929) 11.692 14.623 ( -6.626 0.000 -5.510) 8.618 15.560 ( -1.262 0.000 0.813) 1.502 15.605 ( -0.565 0.000 -1.471) 1.576 17.497 ( -0.393 0.000 1.215) 1.277 17.522 ( 0.447 0.000 -0.494) 0.666 19.170 ( 1.056 0.000 -2.551) 2.760 19.199 ( -1.815 0.000 0.971) 2.059 19.864 ( -2.599 0.000 5.366) 5.963 20.020 ( 3.582 0.000 -5.877) 6.882 20.789 ( -2.858 0.000 0.939) 3.009 20.835 ( -0.006 0.000 -2.519) 2.519 21.757 ( -11.182 0.000 5.256) 12.356 21.850 ( -3.543 0.000 -5.412) 6.469 22.523 ( 0.036 0.000 -4.564) 4.564 22.550 ( -2.657 0.000 3.000) 4.007 29.128 ( 7.772 0.000 -7.454) 10.769 29.271 ( -5.523 0.000 -0.961) 5.607 29.505 ( 11.765 0.000 22.174) 25.102 30.100 ( 11.058 0.000 -7.108) 13.145 ======================= Grid point 157 (70/105) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -11.784 0.000 13.076) 17.603 1.627 ( 9.031 0.000 -8.641) 12.499 1.783 ( -13.013 0.000 17.625) 21.908 1.982 ( 9.114 0.000 2.101) 9.353 2.390 ( -7.954 0.000 7.279) 10.782 2.497 ( 22.864 0.000 8.227) 24.299 2.726 ( -2.626 0.000 19.344) 19.521 2.810 ( 1.864 0.000 -16.752) 16.855 2.811 ( -14.385 0.000 -11.639) 18.504 3.204 ( 6.861 0.000 -18.097) 19.354 3.804 ( -3.681 0.000 1.387) 3.934 3.851 ( 3.035 0.000 -4.867) 5.735 3.867 ( -0.175 0.000 0.841) 0.859 3.900 ( 0.607 0.000 -1.622) 1.732 3.998 ( -10.337 0.000 5.671) 11.790 4.108 ( 8.523 0.000 -4.178) 9.492 4.814 ( 2.048 0.000 0.157) 2.055 4.856 ( 0.002 0.000 -4.049) 4.049 5.320 ( 2.672 0.000 4.022) 4.829 5.383 ( -8.726 0.000 -0.951) 8.777 5.539 ( 3.385 0.000 4.553) 5.673 5.641 ( -2.438 0.000 -4.289) 4.933 6.086 ( 9.411 0.000 1.440) 9.521 6.111 ( -9.072 0.000 -0.939) 9.121 6.281 ( 1.316 0.000 2.823) 3.114 6.338 ( 0.633 0.000 -2.595) 2.671 7.469 ( -6.712 0.000 11.426) 13.252 7.667 ( 4.995 0.000 -6.843) 8.472 8.444 ( -3.450 0.000 1.874) 3.926 8.516 ( 4.890 0.000 -5.015) 7.005 8.821 ( -2.845 0.000 3.301) 4.358 8.881 ( 2.859 0.000 -2.343) 3.697 9.818 ( 2.028 0.000 -0.519) 2.093 9.825 ( -2.989 0.000 -1.283) 3.253 10.203 ( -0.647 0.000 4.943) 4.985 10.299 ( 1.471 0.000 -4.151) 4.404 12.045 ( -2.331 0.000 1.322) 2.680 12.071 ( 2.189 0.000 -1.091) 2.446 13.130 ( 7.015 0.000 0.545) 7.036 13.153 ( -6.338 0.000 -1.504) 6.514 14.283 ( -2.909 0.000 10.701) 11.090 14.482 ( -0.392 0.000 -7.619) 7.629 15.556 ( -0.481 0.000 1.259) 1.348 15.586 ( 0.206 0.000 -1.560) 1.574 17.503 ( -0.349 0.000 1.163) 1.214 17.523 ( 0.357 0.000 -0.697) 0.783 19.166 ( -2.274 0.000 0.160) 2.280 19.183 ( 2.584 0.000 -1.364) 2.922 19.879 ( -2.452 0.000 5.814) 6.310 20.011 ( 2.780 0.000 -6.424) 6.999 20.774 ( -0.813 0.000 1.895) 2.062 20.818 ( 0.853 0.000 -2.255) 2.411 21.668 ( -4.754 0.000 5.246) 7.080 21.783 ( 3.127 0.000 -5.296) 6.150 22.506 ( -4.651 0.000 1.567) 4.908 22.541 ( 4.377 0.000 -1.745) 4.712 29.131 ( -8.983 0.000 1.356) 9.084 29.190 ( 6.321 0.000 -4.018) 7.489 29.832 ( 0.827 0.000 17.010) 17.030 30.156 ( 6.414 0.000 -12.796) 14.313 ======================= Grid point 158 (71/105) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -17.681 0.000 12.659) 21.745 1.581 ( -14.036 0.000 7.427) 15.879 1.730 ( -0.555 0.000 -7.845) 7.864 2.136 ( 8.541 0.000 -0.787) 8.577 2.179 ( -21.154 0.000 -4.889) 21.712 2.419 ( -16.048 0.000 8.526) 18.172 2.528 ( -13.604 0.000 -9.044) 16.336 2.819 ( 8.785 0.000 0.513) 8.800 3.094 ( 13.616 0.000 16.072) 21.064 3.118 ( 6.268 0.000 -21.998) 22.873 3.777 ( -0.580 0.000 3.404) 3.453 3.864 ( -1.260 0.000 0.767) 1.475 3.876 ( 1.637 0.000 -0.785) 1.816 3.906 ( 1.202 0.000 -0.412) 1.271 3.940 ( -0.215 0.000 3.024) 3.031 4.225 ( 7.572 0.000 -3.936) 8.534 4.895 ( 7.460 0.000 -2.981) 8.034 4.957 ( 12.316 0.000 0.382) 12.322 5.271 ( -2.499 0.000 2.517) 3.546 5.359 ( -4.944 0.000 3.447) 6.027 5.630 ( -0.746 0.000 3.701) 3.775 5.644 ( 8.350 0.000 -0.701) 8.379 5.924 ( -8.321 0.000 -1.473) 8.450 6.183 ( -1.500 0.000 -1.071) 1.844 6.315 ( 0.457 0.000 0.663) 0.805 6.342 ( 4.678 0.000 -1.595) 4.942 7.478 ( -5.459 0.000 10.632) 11.951 7.686 ( 5.827 0.000 -7.863) 9.786 8.391 ( -4.380 0.000 2.212) 4.907 8.538 ( 3.027 0.000 -4.693) 5.584 8.783 ( -4.710 0.000 3.163) 5.674 8.886 ( 0.587 0.000 -3.253) 3.305 9.794 ( -0.055 0.000 0.811) 0.813 9.886 ( 5.003 0.000 0.834) 5.072 10.246 ( 0.275 0.000 3.459) 3.470 10.279 ( 1.637 0.000 -4.871) 5.139 12.012 ( -2.686 0.000 0.925) 2.840 12.086 ( 0.631 0.000 -0.646) 0.903 12.967 ( -11.612 0.000 -0.594) 11.627 13.212 ( 1.516 0.000 -0.742) 1.688 14.422 ( 4.307 0.000 13.367) 14.044 14.448 ( 4.785 0.000 -7.042) 8.514 15.570 ( 0.295 0.000 1.768) 1.793 15.580 ( 0.816 0.000 -1.148) 1.408 17.508 ( -0.409 0.000 0.908) 0.996 17.520 ( 0.311 0.000 -0.934) 0.985 19.132 ( -1.814 0.000 0.772) 1.972 19.222 ( 3.061 0.000 -1.242) 3.303 19.895 ( -2.765 0.000 5.735) 6.367 19.989 ( 2.468 0.000 -6.240) 6.710 20.788 ( -0.213 0.000 1.940) 1.952 20.817 ( 1.680 0.000 -1.976) 2.594 21.710 ( 2.167 0.000 7.418) 7.728 21.856 ( 10.619 0.000 -4.130) 11.394 22.438 ( -4.822 0.000 3.115) 5.740 22.606 ( 4.528 0.000 -2.283) 5.071 28.989 ( -11.169 0.000 5.551) 12.472 29.270 ( 5.626 0.000 -1.210) 5.755 29.923 ( -5.606 0.000 9.756) 11.252 30.019 ( -1.672 0.000 -23.842) 23.901 ======================= Grid point 159 (72/105) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -19.505 0.000 14.506) 24.308 1.205 ( -30.527 0.000 -2.202) 30.607 1.563 ( -3.708 0.000 -11.370) 11.959 1.868 ( -14.387 0.000 9.350) 17.159 2.134 ( -13.612 0.000 -14.309) 19.749 2.273 ( 3.312 0.000 0.736) 3.393 2.313 ( -11.821 0.000 14.945) 19.055 2.912 ( 6.379 0.000 -7.856) 10.120 3.039 ( 9.869 0.000 -14.759) 17.754 3.391 ( 6.253 0.000 7.000) 9.386 3.799 ( -2.356 0.000 -0.710) 2.461 3.900 ( 1.340 0.000 -0.323) 1.378 3.930 ( 4.214 0.000 11.569) 12.313 3.936 ( 3.096 0.000 -2.296) 3.855 4.000 ( 4.037 0.000 1.436) 4.284 4.229 ( -0.993 0.000 -7.100) 7.169 5.040 ( 8.426 0.000 2.757) 8.865 5.081 ( -1.413 0.000 -5.955) 6.120 5.385 ( 6.912 0.000 6.613) 9.565 5.390 ( 9.890 0.000 5.886) 11.509 5.514 ( -13.236 0.000 0.325) 13.240 5.837 ( -1.827 0.000 0.163) 1.834 5.857 ( 9.280 0.000 2.317) 9.565 6.093 ( 0.404 0.000 -2.973) 3.001 6.336 ( 2.376 0.000 -0.508) 2.430 6.423 ( 3.438 0.000 0.416) 3.463 7.498 ( -4.509 0.000 9.641) 10.643 7.707 ( 6.231 0.000 -8.358) 10.425 8.349 ( -3.347 0.000 3.318) 4.713 8.519 ( 1.077 0.000 -5.367) 5.474 8.733 ( -4.904 0.000 3.810) 6.210 8.828 ( -2.297 0.000 -4.494) 5.047 9.835 ( 1.934 0.000 3.186) 3.727 9.999 ( 5.862 0.000 1.302) 6.005 10.251 ( 1.127 0.000 -5.031) 5.155 10.280 ( 0.212 0.000 1.770) 1.782 11.973 ( -1.980 0.000 0.150) 1.986 12.084 ( -0.581 0.000 0.357) 0.682 12.780 ( -10.486 0.000 4.430) 11.384 13.169 ( -2.863 0.000 -4.131) 5.026 14.486 ( 6.603 0.000 -5.294) 8.463 14.694 ( 9.840 0.000 10.396) 14.314 15.592 ( 1.432 0.000 -0.423) 1.493 15.611 ( 2.269 0.000 2.303) 3.233 17.507 ( -0.522 0.000 0.615) 0.806 17.516 ( 0.369 0.000 -1.028) 1.092 19.127 ( -0.727 0.000 2.662) 2.760 19.256 ( 2.553 0.000 -2.142) 3.332 19.900 ( -3.110 0.000 5.133) 6.001 19.972 ( 2.807 0.000 -5.622) 6.283 20.807 ( -0.097 0.000 2.569) 2.571 20.848 ( 3.072 0.000 0.393) 3.097 21.886 ( 7.107 0.000 6.473) 9.613 22.059 ( 15.996 0.000 -3.657) 16.409 22.474 ( 3.884 0.000 11.859) 12.479 22.637 ( 2.902 0.000 -4.493) 5.349 28.837 ( -14.927 0.000 8.544) 17.200 29.339 ( -0.370 0.000 -6.036) 6.047 29.515 ( -17.976 0.000 -31.061) 35.888 29.868 ( -7.674 0.000 3.432) 8.407 ======================= Grid point 160 (73/105) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -23.329 0.000 9.279) 25.106 0.875 ( -15.024 0.000 17.520) 23.080 1.392 ( -4.433 0.000 -6.625) 7.971 1.706 ( -16.637 0.000 -13.469) 21.406 1.762 ( -11.474 0.000 13.042) 17.371 2.267 ( 0.921 0.000 -10.680) 10.719 2.335 ( -4.131 0.000 16.476) 16.986 2.925 ( 7.427 0.000 -11.986) 14.100 3.199 ( 16.501 0.000 -2.362) 16.669 3.492 ( 1.150 0.000 0.002) 1.150 3.757 ( -1.237 0.000 1.546) 1.980 3.903 ( 0.862 0.000 -2.308) 2.464 3.936 ( 0.342 0.000 -3.955) 3.970 4.062 ( -7.155 0.000 -0.758) 7.195 4.144 ( 11.074 0.000 1.496) 11.174 4.184 ( 7.389 0.000 7.483) 10.517 4.897 ( -8.911 0.000 -5.797) 10.631 5.030 ( -16.920 0.000 -3.431) 17.264 5.394 ( 6.027 0.000 2.732) 6.617 5.573 ( 5.674 0.000 2.145) 6.066 5.698 ( 10.551 0.000 11.119) 15.328 5.813 ( -1.040 0.000 2.210) 2.442 5.837 ( -3.050 0.000 -3.371) 4.546 6.298 ( 13.499 0.000 -1.265) 13.558 6.388 ( 3.959 0.000 -1.169) 4.128 6.457 ( 0.637 0.000 -1.744) 1.856 7.521 ( -4.393 0.000 9.639) 10.593 7.728 ( 5.771 0.000 -8.180) 10.011 8.343 ( -1.795 0.000 3.695) 4.108 8.478 ( 1.175 0.000 -5.498) 5.623 8.689 ( -4.471 0.000 3.638) 5.764 8.736 ( -2.039 0.000 -3.175) 3.773 9.920 ( 2.125 0.000 5.316) 5.725 10.110 ( 4.859 0.000 1.444) 5.069 10.211 ( 0.417 0.000 -5.145) 5.161 10.282 ( -1.183 0.000 0.009) 1.183 11.961 ( 0.904 0.000 0.049) 0.905 12.071 ( -1.829 0.000 0.522) 1.902 12.705 ( -6.504 0.000 9.805) 11.766 13.059 ( -1.573 0.000 -6.917) 7.093 14.569 ( 7.220 0.000 -2.201) 7.548 14.875 ( 2.311 0.000 -1.990) 3.050 15.621 ( 1.658 0.000 0.516) 1.736 15.693 ( 4.030 0.000 -0.433) 4.054 17.503 ( -0.620 0.000 0.473) 0.780 17.512 ( 0.479 0.000 -0.983) 1.093 19.154 ( -0.517 0.000 3.752) 3.787 19.267 ( 1.938 0.000 -3.207) 3.747 19.895 ( -3.250 0.000 4.526) 5.572 19.969 ( 3.211 0.000 -5.028) 5.966 20.844 ( 0.315 0.000 3.982) 3.995 20.934 ( 5.034 0.000 0.525) 5.061 22.022 ( 3.303 0.000 3.424) 4.758 22.290 ( 10.480 0.000 -3.871) 11.172 22.651 ( 7.595 0.000 -4.988) 9.086 22.876 ( 19.318 0.000 8.773) 21.216 28.488 ( -38.234 0.000 -19.288) 42.823 28.610 ( -19.885 0.000 6.684) 20.978 29.466 ( 2.755 0.000 2.952) 4.038 29.751 ( -5.825 0.000 -1.506) 6.016 ======================= Grid point 161 (74/105) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 9.478 10.886 17.302) 22.532 1.213 ( -3.805 14.294 -4.298) 15.404 1.338 ( -4.101 16.535 5.249) 17.826 1.549 ( -3.448 17.321 -5.561) 18.516 1.843 ( -5.218 8.764 11.525) 15.390 2.140 ( -1.682 1.504 -12.347) 12.552 2.565 ( 1.055 6.840 13.100) 14.816 2.893 ( 7.267 -0.026 -15.606) 17.215 3.428 ( 1.018 -1.763 -0.475) 2.090 3.436 ( -0.461 -2.846 -2.707) 3.955 3.688 ( -2.483 -3.647 0.266) 4.420 3.693 ( 0.540 -6.471 0.104) 6.495 4.008 ( 1.725 5.600 3.156) 6.655 4.089 ( -4.564 7.107 -3.940) 9.320 4.344 ( 10.828 -4.230 6.419) 13.279 4.441 ( 0.628 -0.505 -0.920) 1.223 4.622 ( -9.966 0.356 -1.776) 10.129 4.720 ( 3.212 -1.163 -7.278) 8.040 5.502 ( 3.298 -4.929 4.344) 7.352 5.557 ( -1.605 -3.209 -1.202) 3.784 5.786 ( -2.112 -7.810 7.084) 10.753 5.871 ( 3.343 -2.701 -1.306) 4.492 5.895 ( 1.308 -0.699 5.416) 5.615 6.006 ( -6.107 -13.715 -2.988) 15.308 6.426 ( -3.442 3.267 1.425) 4.955 6.458 ( 3.847 3.607 -1.650) 5.526 7.599 ( -4.845 5.148 9.238) 11.632 7.779 ( 3.570 4.237 -7.578) 9.387 8.417 ( -0.996 3.972 2.822) 4.973 8.482 ( 2.632 0.317 -3.076) 4.061 8.743 ( -2.317 8.913 3.678) 9.916 8.826 ( 1.932 10.322 -4.089) 11.269 10.029 ( -0.126 -5.697 2.181) 6.101 10.085 ( 0.120 -6.951 -2.844) 7.511 10.298 ( -1.989 14.387 1.944) 14.653 10.363 ( 2.898 11.863 -3.632) 12.740 11.989 ( -0.689 -1.237 1.646) 2.171 12.024 ( 0.489 0.306 -1.619) 1.719 12.740 ( -0.658 -0.988 11.185) 11.248 12.971 ( 1.802 -1.988 -10.123) 10.473 14.570 ( -8.796 -7.401 7.782) 13.881 14.670 ( 5.123 -2.229 -2.499) 6.120 15.807 ( -0.564 14.101 6.356) 15.478 15.985 ( -0.295 18.861 -11.078) 21.875 17.520 ( -0.678 1.826 0.446) 1.998 17.532 ( 0.445 1.667 -0.606) 1.829 19.174 ( -1.602 -0.215 4.121) 4.427 19.261 ( 1.640 0.089 -3.956) 4.283 19.767 ( -2.048 -10.208 3.139) 10.875 19.840 ( 2.303 -11.949 -3.656) 12.706 20.888 ( -0.083 -0.989 2.449) 2.643 20.971 ( 2.036 -2.532 -5.251) 6.175 22.109 ( 2.492 -2.446 5.790) 6.762 22.235 ( -3.822 -2.841 -5.976) 7.642 22.735 ( -4.728 -9.365 6.470) 12.326 22.816 ( 0.088 -4.711 -1.791) 5.040 28.294 ( 13.604 1.251 2.211) 13.839 28.337 ( -7.733 1.938 -1.915) 8.199 29.496 ( 2.449 -5.326 3.634) 6.897 29.571 ( -2.500 -6.510 -3.344) 7.734 ======================= Grid point 162 (75/105) ======================= q-point: ( 0.12 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 6.403 5.603 -17.236) 19.222 1.247 ( 9.495 11.431 12.166) 19.206 1.385 ( -1.952 19.195 10.476) 21.955 1.594 ( 8.517 15.162 -0.567) 17.400 1.967 ( -0.562 2.444 6.561) 7.024 2.032 ( 4.387 6.994 3.728) 9.059 2.686 ( -1.954 4.265 8.739) 9.918 2.821 ( 8.219 1.976 -20.461) 22.138 3.233 ( -14.379 -0.898 -1.554) 14.491 3.495 ( 2.737 -1.887 -0.013) 3.325 3.682 ( -0.148 -4.793 1.384) 4.991 3.714 ( 1.181 -5.536 1.081) 5.763 3.997 ( -1.327 7.058 -1.800) 7.404 4.086 ( 0.041 5.177 5.847) 7.810 4.203 ( -9.043 -2.359 -6.613) 11.449 4.402 ( -3.462 0.138 -5.711) 6.680 4.703 ( 8.637 -2.541 8.497) 12.380 4.981 ( 21.099 -3.136 -2.352) 21.460 5.396 ( -10.848 -3.879 -1.847) 11.668 5.557 ( -2.219 -5.030 -0.810) 5.557 5.744 ( -8.415 -8.721 -1.045) 12.164 5.773 ( -7.214 -8.077 0.866) 10.865 5.930 ( -5.780 -10.030 3.909) 12.218 6.001 ( 6.676 10.688 0.573) 12.615 6.279 ( -7.616 -2.693 0.896) 8.128 6.601 ( 7.158 9.901 -0.925) 12.253 7.587 ( -7.302 4.919 9.150) 12.698 7.749 ( 1.933 4.013 -6.984) 8.283 8.409 ( -1.770 2.563 1.225) 3.347 8.488 ( 2.025 0.939 -3.505) 4.155 8.781 ( 1.686 9.849 4.291) 10.874 8.852 ( 5.164 9.289 -3.885) 11.316 9.972 ( -5.289 -5.652 0.210) 7.743 10.086 ( -1.003 -7.251 -0.471) 7.335 10.247 ( -3.948 14.511 1.776) 15.143 10.383 ( 2.235 10.179 -2.714) 10.769 11.963 ( -0.927 -0.199 0.350) 1.010 12.058 ( 1.824 -0.564 0.040) 1.910 12.872 ( 3.366 -1.914 3.343) 5.116 12.920 ( 4.653 -2.446 -5.278) 7.449 14.462 ( -11.022 -1.714 7.575) 13.483 14.720 ( 2.158 -4.519 -2.006) 5.395 15.849 ( -3.388 16.914 5.390) 18.072 15.864 ( -2.025 16.025 -4.186) 16.686 17.511 ( -0.876 1.586 0.655) 1.927 17.535 ( 0.402 1.722 -0.295) 1.793 19.190 ( -1.249 -0.287 3.602) 3.823 19.246 ( 1.287 0.897 -3.815) 4.125 19.742 ( -3.173 -10.996 2.192) 11.653 19.861 ( 3.172 -11.687 -2.623) 12.391 20.879 ( -2.832 -4.232 0.053) 5.093 20.932 ( -0.825 -0.452 -2.770) 2.925 22.080 ( -7.413 -2.223 -2.281) 8.068 22.166 ( -5.800 -1.882 5.611) 8.286 22.510 ( -11.965 -1.117 4.147) 12.713 22.853 ( -4.675 -6.951 -0.262) 8.381 28.326 ( 13.464 1.512 0.630) 13.564 28.732 ( 27.195 -5.177 -7.493) 28.680 29.488 ( -2.808 -5.381 -3.680) 7.098 29.606 ( 6.182 -8.173 3.251) 10.751 ======================= Grid point 163 (76/105) ======================= q-point: ( 0.25 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 19.817 0.185 -4.493) 20.321 1.485 ( 7.227 13.648 3.925) 15.935 1.497 ( 4.323 17.001 7.479) 19.070 1.742 ( -1.069 7.203 14.312) 16.058 1.985 ( 2.705 5.191 4.024) 7.103 2.285 ( 11.701 0.890 0.303) 11.739 2.696 ( -2.478 -0.209 3.573) 4.353 2.783 ( 9.383 2.636 -17.665) 20.175 2.990 ( -9.870 5.491 3.279) 11.761 3.501 ( -1.583 -0.351 -3.280) 3.659 3.685 ( 0.023 -7.033 -0.298) 7.039 3.752 ( 0.094 -5.607 2.428) 6.111 3.970 ( -0.395 5.208 -2.392) 5.745 4.052 ( -0.961 -1.624 -4.163) 4.571 4.119 ( -3.374 1.647 2.774) 4.668 4.288 ( -1.764 5.426 -4.026) 6.983 4.917 ( 4.248 -2.465 7.453) 8.925 5.080 ( -9.838 -3.547 -4.449) 11.365 5.326 ( -0.957 -4.310 3.294) 5.508 5.458 ( 3.040 -8.966 -5.404) 10.901 5.552 ( -3.688 -3.536 -5.965) 7.854 5.683 ( -10.150 -12.716 4.155) 16.792 5.832 ( -4.528 0.925 0.354) 4.635 6.162 ( 8.722 7.396 0.488) 11.446 6.174 ( -4.981 -0.329 2.257) 5.479 6.675 ( 2.187 15.363 -1.061) 15.554 7.547 ( -7.764 4.056 9.243) 12.734 7.710 ( 1.740 3.737 -6.070) 7.338 8.396 ( -0.184 0.536 0.046) 0.568 8.487 ( 1.597 -0.543 -2.610) 3.108 8.873 ( 2.512 11.826 4.594) 12.934 8.913 ( 6.145 8.927 -3.989) 11.549 9.877 ( -4.752 -4.739 -0.623) 6.740 10.003 ( -6.581 -3.956 -0.825) 7.722 10.227 ( -1.478 9.947 2.850) 10.452 10.381 ( 0.843 7.393 -2.530) 7.859 11.981 ( 2.184 0.147 0.296) 2.208 12.072 ( -0.213 -0.653 0.304) 0.751 12.874 ( 5.725 -5.088 -8.360) 11.338 13.067 ( 5.132 -0.993 5.810) 7.815 14.361 ( -9.401 1.606 8.126) 12.530 14.688 ( -1.853 -4.882 -4.483) 6.882 15.784 ( -0.827 15.080 -3.207) 15.439 15.839 ( -5.590 17.477 5.259) 19.088 17.506 ( -0.629 1.270 0.930) 1.696 17.538 ( 0.221 1.593 -0.245) 1.627 19.199 ( -0.586 0.148 0.730) 0.948 19.228 ( 0.118 2.011 -1.697) 2.634 19.718 ( -1.976 -12.294 2.313) 12.665 19.883 ( 2.246 -11.590 -2.770) 12.126 20.821 ( -2.147 -5.151 -1.264) 5.721 20.873 ( -3.561 0.835 -0.840) 3.753 21.921 ( -11.774 -0.515 4.162) 12.499 22.055 ( -7.091 4.107 -0.349) 8.202 22.415 ( -3.815 -8.654 -1.072) 9.518 22.704 ( -6.491 0.118 -1.642) 6.696 28.773 ( 24.051 -7.179 11.364) 27.553 29.017 ( 15.140 -3.087 -7.581) 17.211 29.386 ( -4.576 -4.358 -2.999) 6.995 29.778 ( 10.330 -12.737 -0.611) 16.411 ======================= Grid point 164 (77/105) ======================= q-point: ( 0.38 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 8.880 4.499 6.751) 12.028 1.656 ( 7.219 14.137 3.290) 16.211 1.680 ( 10.133 7.548 7.959) 14.933 1.851 ( -3.347 6.389 15.422) 17.025 2.121 ( 5.699 4.074 5.727) 9.049 2.401 ( 4.712 -1.247 -2.360) 5.415 2.698 ( -3.643 2.423 7.382) 8.581 2.776 ( 10.452 -3.767 -14.752) 18.468 2.978 ( 1.843 4.333 -1.658) 4.992 3.357 ( -6.679 -1.324 -8.205) 10.662 3.663 ( -0.821 -8.749 -1.454) 8.907 3.761 ( -1.157 -4.898 0.684) 5.079 3.929 ( -0.581 0.724 -3.338) 3.465 4.012 ( -0.939 -1.175 -4.689) 4.925 4.058 ( 1.205 1.524 -2.910) 3.499 4.225 ( -7.853 8.755 3.519) 12.276 4.878 ( -6.090 -0.039 -0.839) 6.147 4.969 ( -4.108 0.699 0.883) 4.260 5.232 ( -2.957 -5.424 -0.368) 6.188 5.403 ( -0.550 -5.025 -4.259) 6.610 5.535 ( -7.849 -5.640 4.640) 10.721 5.670 ( 8.043 -5.961 -2.735) 10.378 5.798 ( 1.378 -0.461 1.142) 1.849 6.069 ( -6.628 -8.931 0.802) 11.151 6.367 ( 9.744 15.635 1.988) 18.530 6.657 ( -2.489 17.604 -1.407) 17.835 7.517 ( -6.892 3.716 9.920) 12.638 7.687 ( 2.951 2.906 -5.977) 7.272 8.406 ( 1.041 -1.361 0.044) 1.714 8.481 ( 0.604 -1.895 -2.473) 3.174 8.949 ( 0.503 12.725 4.073) 13.370 8.983 ( 5.743 10.336 -3.312) 12.279 9.801 ( -2.276 -3.743 -1.158) 4.531 9.871 ( -6.341 -4.027 -0.937) 7.570 10.239 ( -1.473 7.379 4.000) 8.522 10.365 ( 0.984 5.665 -3.389) 6.674 12.027 ( 1.767 -0.354 0.629) 1.909 12.065 ( -0.291 -0.372 -0.221) 0.521 12.940 ( 8.434 -5.369 -3.022) 10.445 13.165 ( 0.224 -2.993 1.957) 3.583 14.302 ( -7.244 2.844 8.732) 11.697 14.581 ( -2.135 -1.646 -7.256) 7.741 15.755 ( 0.248 14.935 -1.554) 15.018 15.784 ( -4.359 16.664 2.119) 17.355 17.508 ( -0.395 1.098 1.177) 1.657 17.538 ( 0.196 1.355 -0.428) 1.434 19.191 ( 0.447 1.408 -1.133) 1.862 19.212 ( -0.960 1.925 -0.194) 2.159 19.724 ( -0.831 -12.236 3.388) 12.724 19.878 ( 1.361 -12.684 -3.997) 13.368 20.789 ( -0.199 -4.706 -0.575) 4.745 20.809 ( -2.764 0.877 0.259) 2.911 21.768 ( -9.768 1.541 4.523) 10.874 21.909 ( -4.583 4.398 -6.249) 8.910 22.385 ( 1.891 -8.172 0.797) 8.426 22.616 ( -3.440 1.703 -1.042) 3.977 29.093 ( 8.968 -3.592 -5.909) 11.325 29.248 ( -4.422 -2.222 -0.772) 5.008 29.357 ( 11.674 -12.025 16.259) 23.350 29.919 ( 8.112 -15.899 -5.202) 18.592 ======================= Grid point 165 (78/105) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -7.094 19.080 9.229) 22.350 1.716 ( -8.509 3.997 9.666) 13.484 1.867 ( 3.710 7.265 3.268) 8.788 2.000 ( 6.712 5.532 -0.780) 8.733 2.321 ( 0.377 -5.517 10.668) 12.016 2.532 ( 14.632 2.273 1.463) 14.879 2.750 ( 1.178 0.220 -1.831) 2.188 2.763 ( -6.710 -2.775 -2.426) 7.656 2.818 ( -8.631 1.316 -2.208) 9.006 3.195 ( 4.883 -0.702 -16.029) 16.771 3.668 ( 0.847 -6.587 1.378) 6.783 3.719 ( -0.748 -7.403 -2.976) 8.013 3.901 ( -0.494 -1.249 0.919) 1.628 3.951 ( -0.737 -0.354 -3.179) 3.282 4.075 ( -8.511 6.017 2.961) 10.836 4.131 ( 7.494 2.935 -2.161) 8.334 4.850 ( 2.337 3.608 0.525) 4.330 4.891 ( -0.492 3.308 -3.520) 4.856 5.255 ( 2.534 -6.042 3.151) 7.270 5.300 ( -7.396 -7.587 -0.339) 10.600 5.561 ( 2.600 0.927 4.217) 5.040 5.658 ( -0.931 0.137 -4.146) 4.251 5.928 ( 3.671 -8.448 1.249) 9.296 5.950 ( -2.669 -7.982 -0.830) 8.457 6.514 ( -0.353 16.304 3.350) 16.648 6.582 ( 0.510 16.799 -3.117) 17.094 7.509 ( -6.046 3.790 10.034) 12.313 7.690 ( 5.033 2.361 -6.744) 8.740 8.417 ( -1.560 -1.454 1.400) 2.551 8.467 ( 2.108 -3.031 -3.310) 4.959 8.964 ( -3.590 11.983 3.624) 13.024 9.037 ( 3.848 12.253 -3.215) 13.239 9.768 ( -2.606 -4.251 0.843) 5.057 9.800 ( 2.289 -3.359 -2.050) 4.553 10.256 ( -1.782 5.950 4.477) 7.656 10.350 ( 2.224 5.354 -4.379) 7.265 12.030 ( -2.765 -1.295 2.350) 3.853 12.078 ( 2.585 0.257 -2.107) 3.345 13.084 ( 6.882 -4.790 0.627) 8.408 13.104 ( -6.308 -4.833 -1.157) 8.030 14.296 ( -4.328 2.343 10.043) 11.184 14.491 ( 1.681 1.745 -7.952) 8.313 15.732 ( -2.875 15.241 1.851) 15.620 15.771 ( 2.777 15.867 -1.765) 16.205 17.515 ( -0.313 1.103 1.230) 1.681 17.536 ( 0.246 1.150 -0.712) 1.375 19.175 ( -2.595 0.932 1.210) 3.011 19.212 ( 2.824 2.778 -2.216) 4.539 19.749 ( -1.666 -11.566 4.586) 12.553 19.855 ( 1.996 -13.739 -5.236) 14.838 20.778 ( -1.298 -1.227 0.947) 2.021 20.802 ( 2.166 -1.845 -1.086) 3.045 21.689 ( -4.487 2.256 5.375) 7.356 21.812 ( 1.965 2.356 -6.004) 6.743 22.464 ( 1.769 -3.278 3.543) 5.140 22.536 ( -1.511 -0.941 -3.150) 3.618 29.113 ( -8.753 -1.842 1.574) 9.082 29.171 ( 6.133 -1.902 -3.690) 7.406 29.672 ( 3.351 -13.722 13.752) 19.714 29.935 ( 2.395 -18.976 -10.501) 21.820 ======================= Grid point 166 (79/105) ======================= q-point: (-0.38 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -13.917 21.801 7.968) 27.064 1.585 ( -17.784 -0.092 9.339) 20.088 1.874 ( -2.779 11.101 -10.015) 15.207 2.073 ( -0.031 -4.562 1.948) 4.961 2.259 ( -10.637 6.694 -2.511) 12.816 2.393 ( -7.914 -1.795 -1.290) 8.217 2.565 ( -9.238 2.972 -5.632) 11.220 2.809 ( 3.872 -0.969 1.132) 4.149 3.070 ( 14.112 -0.787 4.422) 14.810 3.152 ( 7.266 2.559 -5.782) 9.632 3.638 ( -1.659 -9.083 0.042) 9.233 3.761 ( 3.828 -4.659 -0.141) 6.031 3.918 ( -0.104 -0.175 1.515) 1.529 3.925 ( 0.099 -1.468 1.028) 1.794 4.001 ( -0.959 5.955 1.191) 6.148 4.287 ( 9.106 4.362 -1.338) 10.185 4.892 ( 4.034 0.336 -2.784) 4.913 4.969 ( 9.530 0.971 0.675) 9.603 5.203 ( -3.075 -6.633 2.579) 7.752 5.315 ( -1.697 -4.518 4.089) 6.326 5.611 ( 0.902 -0.740 0.763) 1.394 5.635 ( 0.447 -4.758 -2.847) 5.563 5.814 ( -3.983 -3.361 -0.423) 5.229 6.080 ( 7.194 -8.895 -0.220) 11.442 6.390 ( -10.347 14.770 0.210) 18.035 6.644 ( 3.429 16.914 -0.422) 17.263 7.513 ( -4.745 3.443 9.049) 10.783 7.718 ( 6.281 2.993 -7.359) 10.128 8.386 ( -2.521 0.201 1.191) 2.795 8.483 ( 2.182 -3.608 -2.162) 4.738 8.906 ( -6.384 10.584 3.244) 12.779 9.038 ( 0.149 11.978 -3.571) 12.500 9.770 ( 1.984 -4.055 1.346) 4.711 9.873 ( 6.768 -1.309 -0.928) 6.955 10.264 ( -1.719 4.605 2.705) 5.610 10.356 ( 3.017 6.635 -3.516) 8.093 12.000 ( -2.935 -1.083 2.013) 3.720 12.093 ( 1.254 0.380 -1.708) 2.153 12.912 ( -11.431 -4.984 -0.436) 12.478 13.192 ( 3.078 -3.003 -0.643) 4.348 14.370 ( -0.687 -1.656 12.272) 12.402 14.473 ( 5.085 2.722 -7.282) 9.289 15.714 ( -1.369 13.217 1.900) 13.423 15.831 ( 6.183 19.480 -1.769) 20.515 17.521 ( -0.326 1.189 0.888) 1.519 17.533 ( 0.332 1.146 -0.766) 1.418 19.144 ( -2.234 1.256 1.697) 3.074 19.247 ( 3.181 2.292 -2.048) 4.423 19.748 ( -2.550 -13.033 2.704) 13.553 19.854 ( 2.719 -11.909 -3.230) 12.635 20.779 ( 0.674 -1.741 0.583) 1.956 20.833 ( 3.050 0.236 -2.303) 3.829 21.743 ( 2.587 2.570 8.839) 9.562 21.856 ( 8.478 0.408 -3.935) 9.356 22.401 ( -5.470 -2.887 -0.561) 6.211 22.599 ( 5.338 -0.954 0.296) 5.431 28.971 ( -11.289 -1.875 5.156) 12.551 29.246 ( 4.880 -2.228 -1.014) 5.460 29.737 ( -7.507 -20.196 -13.775) 25.573 29.790 ( -3.399 -14.414 3.376) 15.190 ======================= Grid point 167 (80/105) ======================= q-point: (-0.25 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -27.184 -0.564 -2.737) 27.327 1.346 ( -14.723 24.039 10.100) 29.944 1.633 ( -10.187 4.518 -2.832) 11.498 1.981 ( -9.931 8.971 2.934) 13.701 2.171 ( -11.240 2.643 -7.422) 13.726 2.236 ( 5.130 1.905 -5.825) 7.992 2.448 ( -7.153 8.959 10.530) 15.566 2.829 ( 6.174 -5.326 -9.842) 12.780 3.147 ( 8.875 7.352 -8.369) 14.243 3.401 ( 7.497 0.775 6.413) 9.895 3.653 ( 0.403 -11.384 2.032) 11.571 3.799 ( 1.489 -3.036 -1.506) 3.702 3.938 ( 2.766 -0.763 -0.248) 2.880 3.969 ( 0.365 1.352 4.343) 4.563 4.059 ( 4.981 3.896 2.884) 6.950 4.338 ( -0.556 7.083 -4.579) 8.453 4.996 ( 7.255 -3.580 3.030) 8.639 5.051 ( -2.669 -3.496 -4.463) 6.266 5.286 ( 6.350 -7.925 6.334) 11.969 5.389 ( 7.244 -2.869 7.188) 10.601 5.458 ( -11.294 -4.796 -3.490) 12.757 5.731 ( 7.904 -11.690 -0.446) 14.118 5.818 ( 2.737 1.589 1.264) 3.408 6.167 ( -4.462 0.358 -0.144) 4.479 6.216 ( -0.509 4.836 -0.984) 4.962 6.661 ( -1.481 15.017 0.017) 15.090 7.534 ( -3.357 3.426 8.444) 9.711 7.752 ( 6.376 4.060 -7.706) 10.794 8.369 ( -0.947 2.114 1.809) 2.939 8.485 ( 0.550 -2.560 -2.024) 3.310 8.827 ( -6.248 9.011 3.857) 11.624 8.972 ( -2.472 11.281 -4.330) 12.333 9.855 ( 5.328 -3.799 1.141) 6.643 9.999 ( 7.543 -0.200 -0.423) 7.557 10.256 ( -0.859 5.720 0.594) 5.815 10.374 ( 2.087 8.187 -2.182) 8.725 11.972 ( -1.916 -0.315 1.080) 2.222 12.086 ( -0.346 0.224 -0.950) 1.035 12.736 ( -9.529 -4.027 4.283) 11.197 13.173 ( -1.861 -0.817 -4.180) 4.648 14.496 ( 2.379 -1.774 3.019) 4.234 14.523 ( 4.555 -4.580 3.791) 7.490 15.722 ( -0.406 12.404 2.541) 12.668 15.950 ( 10.168 22.179 -4.468) 24.805 17.522 ( -0.020 1.255 -0.049) 1.256 17.533 ( 0.189 1.459 -0.139) 1.478 19.138 ( -1.313 1.118 3.100) 3.547 19.272 ( 2.349 1.438 -2.752) 3.894 19.736 ( -0.824 -13.775 1.357) 13.867 19.865 ( 1.222 -10.162 -1.849) 10.401 20.820 ( 3.855 -0.392 -1.264) 4.076 20.864 ( 2.706 0.588 -0.430) 2.802 21.941 ( 6.672 4.539 4.435) 9.208 22.024 ( 13.736 -3.629 1.841) 14.326 22.348 ( -0.190 -7.746 3.727) 8.598 22.685 ( 4.726 1.627 -0.143) 5.000 28.804 ( -15.308 -3.293 6.484) 16.947 29.189 ( -21.843 -15.625 -18.918) 32.851 29.363 ( 0.292 -6.190 -3.139) 6.946 29.750 ( -5.694 -10.657 2.267) 12.294 ======================= Grid point 168 (81/105) ======================= q-point: (-0.12 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -16.413 7.654 9.143) 20.287 1.244 ( -8.930 27.294 10.834) 30.694 1.456 ( -8.378 4.849 -0.608) 9.699 1.780 ( -13.661 5.453 -1.754) 14.814 1.916 ( -6.931 14.619 -4.521) 16.799 2.256 ( 1.980 0.296 -6.330) 6.639 2.449 ( -3.484 8.524 9.355) 13.127 2.868 ( 8.705 -4.139 -8.841) 13.079 3.282 ( 12.278 5.258 -3.130) 13.719 3.504 ( 0.862 0.538 -2.688) 2.874 3.661 ( 0.122 -7.650 2.529) 8.058 3.767 ( -2.359 -5.860 -3.503) 7.223 3.974 ( 0.429 5.075 0.232) 5.099 4.085 ( 8.508 -3.482 5.034) 10.481 4.214 ( 2.393 4.048 -4.681) 6.635 4.252 ( 2.329 6.429 5.457) 8.748 4.863 ( -9.185 -3.213 -5.485) 11.170 4.996 ( -15.421 -3.795 -3.131) 16.187 5.339 ( 5.963 -4.975 3.780) 8.637 5.501 ( 6.983 -7.296 4.214) 10.943 5.621 ( 7.767 -5.739 7.404) 12.169 5.813 ( 3.787 -0.393 -1.590) 4.126 5.910 ( -2.412 -11.247 4.777) 12.456 6.052 ( 0.930 3.378 -1.977) 4.023 6.294 ( 6.016 -4.024 -0.312) 7.244 6.589 ( -6.572 9.805 0.054) 11.804 7.570 ( -3.072 4.369 8.805) 10.298 7.778 ( 5.558 4.533 -7.708) 10.529 8.389 ( 0.308 3.777 2.501) 4.540 8.473 ( 0.802 -1.068 -1.725) 2.181 8.770 ( -4.736 8.380 3.830) 10.359 8.878 ( -2.060 11.255 -4.595) 12.331 9.960 ( 4.902 -4.779 0.633) 6.875 10.099 ( 3.165 -5.026 -1.259) 6.072 10.264 ( 2.027 12.935 0.091) 13.093 10.375 ( 0.330 9.853 -1.877) 10.036 11.964 ( 0.431 -0.016 0.364) 0.564 12.062 ( -1.675 -0.413 -0.415) 1.774 12.679 ( -5.095 -2.490 9.379) 10.960 13.067 ( -2.146 -0.170 -7.193) 7.509 14.560 ( 3.124 -1.635 0.842) 3.625 14.626 ( 0.136 -9.699 4.919) 10.876 15.753 ( 0.073 12.752 4.013) 13.369 16.046 ( 7.871 20.593 -10.839) 24.566 17.522 ( 0.171 1.553 -0.163) 1.570 17.534 ( 0.022 1.672 -0.219) 1.687 19.156 ( -1.181 0.280 3.945) 4.127 19.273 ( 1.623 0.417 -3.527) 3.905 19.750 ( 0.230 -12.485 1.883) 12.629 19.855 ( 0.337 -10.229 -2.427) 10.518 20.858 ( 2.142 0.642 -0.840) 2.388 20.940 ( 5.001 -1.283 -0.958) 5.251 22.023 ( 1.986 -0.439 1.975) 2.835 22.274 ( 8.249 -1.692 -3.655) 9.180 22.510 ( 11.033 -11.212 5.566) 16.686 22.813 ( 6.824 -3.528 3.286) 8.355 28.409 ( -25.922 -3.611 -7.835) 27.320 28.618 ( -20.035 -0.389 2.902) 20.247 29.421 ( 2.552 -4.190 2.475) 5.495 29.658 ( -4.352 -8.349 -1.586) 9.548 ======================= Grid point 169 (82/105) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 9.354 14.066 12.715) 21.143 1.393 ( -5.886 8.014 -5.970) 11.598 1.698 ( -12.357 9.200 19.039) 24.491 1.963 ( 8.655 18.656 -6.584) 21.594 2.081 ( -8.003 8.417 -1.566) 11.719 2.213 ( 4.317 11.128 -12.956) 17.616 2.742 ( 0.491 9.701 6.537) 11.708 2.881 ( 7.504 -1.000 -6.755) 10.146 3.363 ( -6.819 -0.859 0.346) 6.881 3.414 ( 3.278 0.085 -3.540) 4.826 3.621 ( -1.295 -1.514 1.483) 2.484 3.664 ( 0.221 0.663 -1.513) 1.667 4.119 ( 0.856 4.840 3.360) 5.954 4.168 ( -2.173 -0.285 1.125) 2.463 4.274 ( 7.357 -1.137 2.266) 7.782 4.386 ( -5.562 -4.359 -5.193) 8.769 4.616 ( -1.632 -1.361 0.410) 2.164 4.672 ( 0.610 -3.717 -3.279) 4.994 5.329 ( -0.837 -11.912 6.536) 13.613 5.396 ( 2.118 -14.948 0.592) 15.109 5.556 ( 0.484 -5.691 3.051) 6.475 5.602 ( -1.986 -6.193 -0.866) 6.561 5.989 ( -1.069 2.058 1.009) 2.530 6.020 ( 1.640 1.446 -1.697) 2.768 6.605 ( -4.882 15.017 2.139) 15.935 6.658 ( 4.974 16.274 -2.802) 17.246 7.733 ( -3.424 7.131 7.797) 11.106 7.891 ( 2.603 5.957 -7.015) 9.564 8.476 ( 0.455 0.718 0.584) 1.031 8.484 ( 0.264 2.110 -0.073) 2.128 8.977 ( -1.315 10.412 3.800) 11.162 9.054 ( 0.870 8.503 -3.367) 9.187 9.849 ( -0.284 -9.068 1.751) 9.240 9.891 ( 0.192 -9.525 -1.969) 9.728 10.689 ( -0.097 19.855 -0.340) 19.858 10.697 ( 1.072 20.559 -1.238) 20.624 11.974 ( -1.221 0.176 2.532) 2.817 12.032 ( 1.046 0.578 -2.915) 3.150 12.683 ( 1.534 -5.105 9.697) 11.065 12.879 ( -1.353 -7.717 -8.471) 11.538 14.533 ( -6.296 3.967 8.532) 11.321 14.673 ( 5.023 2.938 -4.837) 7.568 16.146 ( -0.546 16.626 7.920) 18.424 16.344 ( 0.269 14.843 -10.711) 18.306 17.561 ( -0.731 2.071 0.738) 2.317 17.573 ( 0.402 2.275 -0.484) 2.360 19.165 ( -2.069 -1.129 4.190) 4.807 19.249 ( 1.651 -2.361 -3.480) 4.517 19.502 ( 1.125 -13.550 1.998) 13.743 19.559 ( -0.330 -12.468 -3.161) 12.867 20.809 ( -3.229 -7.366 0.429) 8.054 20.870 ( 4.814 -6.679 -6.023) 10.201 22.041 ( 0.364 -3.673 6.486) 7.463 22.165 ( -2.399 -3.487 -5.310) 6.791 22.563 ( 1.093 -6.439 9.354) 11.409 22.706 ( -1.583 -5.471 -4.435) 7.219 28.354 ( 6.504 4.359 2.104) 8.107 28.396 ( -4.923 3.761 -1.816) 6.456 29.345 ( 1.211 -8.723 2.079) 9.049 29.389 ( -1.300 -10.333 -2.021) 10.609 ======================= Grid point 170 (83/105) ======================= q-point: ( 0.12 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -0.125 9.037 -12.988) 15.823 1.474 ( 8.694 9.939 11.378) 17.431 1.704 ( -5.570 8.652 10.482) 14.689 1.985 ( -4.370 14.428 7.548) 16.860 2.024 ( 5.431 8.313 -4.888) 11.067 2.252 ( 8.795 12.295 -4.789) 15.858 2.734 ( -3.010 -2.096 -3.403) 5.004 2.907 ( 5.162 8.546 -8.961) 13.415 3.253 ( -9.627 2.852 4.532) 11.016 3.460 ( 4.145 0.042 1.191) 4.313 3.613 ( -0.850 -2.357 2.766) 3.732 3.667 ( 0.461 0.984 -1.687) 2.006 4.105 ( -4.451 -0.699 -0.562) 4.541 4.145 ( -5.798 0.823 -6.674) 8.879 4.171 ( -1.531 2.861 5.112) 6.055 4.380 ( -2.122 -2.166 -0.692) 3.110 4.632 ( 6.603 -4.133 5.779) 9.699 4.863 ( 13.590 -8.023 -1.524) 15.855 5.287 ( -7.171 -8.070 1.332) 10.877 5.341 ( -5.959 -13.859 -3.720) 15.537 5.499 ( -5.618 -8.986 1.605) 10.719 5.613 ( -0.287 -2.029 0.278) 2.068 5.955 ( -2.665 2.752 0.431) 3.855 6.045 ( 1.103 -2.219 -1.034) 2.685 6.507 ( -1.861 21.047 1.175) 21.162 6.841 ( 11.660 13.887 -1.325) 18.181 7.710 ( -7.227 6.239 6.416) 11.503 7.858 ( 1.054 6.059 -5.109) 7.995 8.467 ( -0.698 2.351 -0.257) 2.466 8.495 ( 0.035 1.235 -0.809) 1.477 8.968 ( -0.105 5.263 1.481) 5.468 9.112 ( 5.537 12.544 -0.738) 13.731 9.822 ( -3.150 -6.567 0.361) 7.292 9.885 ( -0.456 -10.491 -0.222) 10.504 10.626 ( -4.671 20.849 -0.401) 21.369 10.695 ( -1.125 18.561 -1.123) 18.629 11.969 ( -0.886 1.164 1.737) 2.271 12.043 ( 1.745 -0.743 -1.356) 2.332 12.765 ( 0.222 -8.759 -6.965) 11.193 12.849 ( 4.575 -5.345 6.532) 9.601 14.495 ( -7.129 5.394 7.466) 11.648 14.693 ( 3.185 2.401 -5.493) 6.789 16.212 ( -2.525 16.747 8.034) 18.746 16.228 ( -1.229 16.598 -7.551) 18.277 17.552 ( -1.004 2.316 0.727) 2.627 17.576 ( 0.240 2.115 -0.218) 2.140 19.180 ( -1.182 -0.936 4.045) 4.317 19.254 ( 2.927 -1.806 -3.333) 4.789 19.478 ( -2.753 -11.630 -1.459) 12.040 19.565 ( 1.511 -14.830 0.078) 14.907 20.736 ( -5.246 -9.009 1.138) 10.487 20.880 ( 1.588 -5.298 -3.459) 6.523 22.038 ( -6.046 -1.721 -0.987) 6.364 22.097 ( -2.504 -4.149 4.885) 6.881 22.477 ( -9.660 -1.946 -2.353) 10.131 22.700 ( -1.124 -6.904 2.029) 7.283 28.378 ( 7.956 3.274 -0.428) 8.614 28.644 ( 19.412 -2.386 -1.860) 19.647 29.326 ( -2.571 -9.893 -1.437) 10.322 29.409 ( 2.609 -9.725 1.597) 10.195 ======================= Grid point 171 (84/105) ======================= q-point: ( 0.25 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 11.282 1.806 -5.708) 12.772 1.708 ( -2.615 7.393 20.593) 22.036 1.729 ( 5.424 3.699 -1.881) 6.830 2.040 ( 3.381 19.224 1.847) 19.606 2.159 ( 8.704 8.414 7.198) 14.084 2.311 ( 3.738 2.722 -6.837) 8.254 2.641 ( -0.183 -5.885 -5.595) 8.122 2.880 ( 0.650 7.571 -7.841) 10.919 3.129 ( -9.344 6.389 7.545) 13.604 3.493 ( -3.566 -0.375 -1.352) 3.832 3.617 ( 0.194 1.199 -3.480) 3.686 3.673 ( 0.724 -1.696 2.816) 3.366 3.972 ( -2.865 -4.175 -4.730) 6.929 4.078 ( -3.288 2.854 -1.750) 4.692 4.131 ( -3.585 0.182 0.111) 3.592 4.382 ( 0.834 3.468 3.837) 5.239 4.815 ( 4.271 -7.598 6.727) 11.010 4.995 ( 0.152 -5.453 -3.187) 6.318 5.153 ( -3.245 -14.875 -7.097) 16.798 5.214 ( -3.539 -6.669 2.603) 7.986 5.443 ( 0.517 -5.345 -0.270) 5.377 5.573 ( -3.623 1.164 -0.079) 3.807 5.905 ( -3.536 3.030 0.650) 4.702 6.019 ( -2.490 -2.852 -0.837) 3.878 6.579 ( 7.243 21.841 1.323) 23.049 6.996 ( 6.443 15.471 -1.389) 16.816 7.643 ( -6.513 4.408 5.475) 9.583 7.818 ( -0.285 6.204 -3.646) 7.202 8.448 ( -1.369 3.632 -0.221) 3.888 8.468 ( -1.070 -0.095 -1.257) 1.653 9.032 ( 5.687 2.454 0.347) 6.204 9.201 ( 4.303 14.376 0.330) 15.010 9.764 ( -3.069 -3.685 -0.439) 4.815 9.847 ( -4.250 -9.520 0.577) 10.442 10.538 ( -4.503 18.504 0.223) 19.045 10.641 ( -2.793 16.872 -1.692) 17.186 11.992 ( 0.981 1.258 1.817) 2.418 12.049 ( 0.350 -1.574 -1.029) 1.913 12.714 ( 3.149 -10.623 -6.302) 12.747 12.996 ( 3.393 -6.473 5.127) 8.928 14.449 ( -6.442 7.262 7.143) 12.053 14.670 ( 1.597 3.522 -6.540) 7.598 16.141 ( -0.042 17.484 -5.285) 18.266 16.228 ( -5.300 17.755 6.986) 19.802 17.544 ( -0.790 2.337 0.826) 2.601 17.576 ( 0.010 2.031 -0.169) 2.038 19.203 ( -0.834 0.157 3.410) 3.514 19.277 ( 3.086 0.842 -2.933) 4.340 19.419 ( -1.489 -13.286 -1.500) 13.453 19.576 ( -0.595 -16.196 0.037) 16.207 20.664 ( -4.587 -9.557 2.280) 10.843 20.845 ( -1.786 -4.370 -2.567) 5.374 21.923 ( -7.708 0.141 1.953) 7.953 22.098 ( -1.232 -1.569 3.575) 4.094 22.257 ( -8.307 -3.899 -6.943) 11.507 22.675 ( -3.190 -2.670 1.438) 4.401 28.636 ( 16.520 -5.269 3.912) 17.776 28.931 ( 15.366 -4.710 -3.812) 16.518 29.254 ( -3.772 -8.270 -1.374) 9.192 29.483 ( 3.880 -13.154 0.961) 13.748 ======================= Grid point 172 (85/105) ======================= q-point: ( 0.38 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 15.503 -5.889 4.298) 17.131 1.821 ( -8.866 4.930 18.122) 20.768 1.886 ( 10.079 1.813 7.144) 12.487 2.118 ( 0.864 16.067 2.411) 16.269 2.285 ( 5.440 5.607 -8.549) 11.581 2.416 ( 10.983 8.769 2.118) 14.213 2.641 ( 5.666 -5.998 -4.117) 9.221 2.773 ( -2.699 0.641 -2.461) 3.708 3.053 ( -9.880 2.976 2.905) 10.719 3.326 ( -8.091 -1.420 -4.800) 9.515 3.576 ( 1.567 0.590 -6.142) 6.366 3.679 ( -3.732 -3.099 1.356) 5.037 3.886 ( -2.398 -3.853 -2.128) 5.013 3.985 ( -2.705 -0.533 -3.319) 4.315 4.111 ( 1.227 3.124 -0.221) 3.363 4.375 ( -7.479 5.145 1.609) 9.219 4.911 ( 1.724 -1.741 2.547) 3.534 4.932 ( 0.547 -1.304 -0.740) 1.596 5.067 ( -0.710 -11.239 -3.118) 11.685 5.194 ( -2.656 -8.288 0.856) 8.745 5.494 ( 1.912 0.182 -1.562) 2.475 5.548 ( 2.782 -4.658 1.542) 5.641 5.856 ( -2.618 3.630 1.535) 4.731 5.953 ( -3.619 -0.538 -0.738) 3.733 6.746 ( 8.656 19.319 1.549) 21.227 7.026 ( -1.089 17.032 -1.815) 17.163 7.613 ( -3.984 4.823 6.543) 9.052 7.778 ( 0.857 5.532 -4.416) 7.130 8.419 ( -1.186 2.251 -0.226) 2.555 8.441 ( -0.649 -1.407 -1.142) 1.925 9.155 ( 7.283 4.400 -0.160) 8.510 9.262 ( 1.482 13.628 0.748) 13.729 9.712 ( -1.429 -2.170 -1.154) 2.843 9.753 ( -6.474 -6.483 0.996) 9.215 10.483 ( -2.391 15.814 1.289) 16.045 10.575 ( -1.677 14.444 -2.600) 14.771 12.015 ( -2.466 -1.150 3.598) 4.511 12.049 ( 2.966 -0.631 -3.379) 4.540 12.763 ( 6.941 -11.758 -1.379) 13.723 13.047 ( -1.874 -8.585 1.084) 8.853 14.423 ( -5.094 9.047 7.393) 12.745 14.623 ( 1.612 5.949 -7.078) 9.386 16.115 ( 2.183 17.991 -3.126) 18.390 16.179 ( -6.289 18.812 4.025) 20.240 17.542 ( -0.443 2.216 1.028) 2.483 17.573 ( -0.035 1.966 -0.361) 1.999 19.218 ( -1.699 1.560 3.421) 4.126 19.289 ( 2.279 4.768 -3.670) 6.434 19.411 ( 1.463 -16.258 0.075) 16.323 19.545 ( -2.123 -17.798 -1.059) 17.956 20.631 ( -1.981 -10.165 3.020) 10.787 20.780 ( -2.012 -4.544 -2.427) 5.530 21.812 ( -6.207 1.997 1.973) 6.813 22.002 ( -6.208 4.244 -7.034) 10.297 22.221 ( 4.526 -6.732 5.109) 9.587 22.613 ( -4.027 -1.804 -1.544) 4.675 28.941 ( 12.164 -11.196 0.579) 16.542 29.117 ( 1.887 -10.002 2.061) 10.385 29.189 ( 3.004 -3.019 0.781) 4.331 29.543 ( 2.408 -16.887 -1.877) 17.161 ======================= Grid point 173 (86/105) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -1.269 -3.175 8.280) 8.958 1.772 ( -1.316 -1.074 5.994) 6.230 2.069 ( -12.006 5.607 9.876) 16.526 2.199 ( 9.553 2.505 9.814) 13.923 2.310 ( 0.478 15.440 -5.889) 16.532 2.550 ( 9.356 -1.890 -16.755) 19.283 2.659 ( 9.790 -2.660 0.480) 10.157 2.779 ( -14.737 1.477 -5.318) 15.736 2.902 ( 3.301 5.819 12.859) 14.495 3.168 ( -0.468 -2.179 -9.883) 10.131 3.577 ( -4.725 -3.735 -0.770) 6.072 3.586 ( 3.375 -3.321 -2.215) 5.227 3.868 ( 0.521 -1.233 1.429) 1.958 3.914 ( -1.388 -1.745 -2.961) 3.707 4.176 ( 2.066 3.763 2.114) 4.785 4.219 ( -3.740 4.535 -1.717) 6.124 4.935 ( -1.404 -0.910 1.056) 1.979 4.961 ( 1.985 1.559 -1.296) 2.837 5.097 ( 4.385 -6.391 1.207) 7.844 5.111 ( -6.059 -5.993 0.108) 8.523 5.536 ( 2.586 -2.317 1.138) 3.654 5.573 ( -1.141 -6.973 -1.945) 7.328 5.857 ( -0.891 1.854 2.587) 3.306 5.904 ( 1.399 2.729 -1.859) 3.586 6.880 ( -0.343 17.663 3.486) 18.007 6.953 ( -0.063 17.660 -3.400) 17.985 7.621 ( -4.160 6.450 7.320) 10.606 7.764 ( 4.179 4.452 -5.974) 8.543 8.406 ( -0.450 0.291 0.394) 0.665 8.424 ( 0.382 -0.925 -1.241) 1.595 9.228 ( -4.437 10.311 2.751) 11.558 9.283 ( 4.409 8.228 -2.390) 9.636 9.671 ( -3.346 -3.188 1.708) 4.927 9.708 ( 3.047 -3.235 -1.671) 4.748 10.475 ( -1.042 14.988 2.368) 15.209 10.539 ( 1.737 12.965 -3.568) 13.559 11.994 ( -3.577 -2.023 3.569) 5.443 12.071 ( 3.320 -0.928 -3.525) 4.930 12.909 ( 7.757 -12.184 2.043) 14.587 12.952 ( -7.623 -9.551 -1.959) 12.377 14.423 ( -4.125 10.036 8.019) 13.493 14.587 ( 2.969 7.648 -7.104) 10.853 16.107 ( -5.073 18.778 2.260) 19.582 16.153 ( 5.119 18.616 -1.987) 19.409 17.548 ( -0.279 2.122 1.167) 2.437 17.568 ( 0.122 1.911 -0.649) 2.022 19.211 ( -3.356 2.669 3.792) 5.724 19.297 ( 3.413 5.152 -4.108) 7.421 19.445 ( -0.825 -16.284 2.089) 16.438 19.499 ( 1.146 -18.896 -2.847) 19.143 20.654 ( -0.123 -9.887 3.606) 10.525 20.736 ( 1.565 -6.003 -3.906) 7.331 21.763 ( -3.146 4.516 4.320) 6.997 21.868 ( 0.024 3.000 -5.519) 6.282 22.386 ( 5.959 -4.049 5.896) 9.310 22.497 ( -4.889 -2.837 -4.563) 7.264 29.030 ( -8.317 -7.337 2.344) 11.336 29.087 ( 7.036 -7.711 -2.769) 10.800 29.371 ( 5.544 -11.613 6.441) 14.390 29.502 ( -3.094 -18.447 -5.503) 19.497 ======================= Grid point 174 (87/105) ======================= q-point: (-0.38 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -16.268 -3.861 -0.848) 16.741 1.920 ( -12.469 13.437 11.053) 21.405 1.944 ( -7.199 -6.261 5.195) 10.863 2.075 ( -7.703 5.929 -3.666) 10.389 2.319 ( -1.507 -1.660 -2.173) 3.122 2.528 ( 0.835 14.777 -10.390) 18.083 2.602 ( 7.052 0.291 -8.854) 11.323 2.814 ( -3.989 2.039 1.295) 4.664 3.072 ( 15.448 0.589 3.397) 15.828 3.223 ( 7.879 4.039 1.055) 8.917 3.472 ( -4.743 -5.240 1.697) 7.269 3.689 ( 6.203 -2.698 0.375) 6.774 3.881 ( 0.278 -2.227 -1.408) 2.649 3.924 ( 3.193 1.016 2.541) 4.205 4.103 ( -2.455 3.949 0.061) 4.650 4.365 ( 9.446 2.889 2.246) 10.130 4.927 ( -4.882 -4.449 1.128) 6.701 4.937 ( 0.169 0.346 -0.526) 0.652 5.018 ( -1.129 -9.876 0.397) 9.949 5.189 ( 1.815 -5.511 1.198) 5.924 5.495 ( -3.496 -4.368 -1.416) 5.771 5.576 ( 0.968 -2.170 -0.941) 2.555 5.870 ( 1.475 5.890 0.558) 6.098 5.956 ( 4.385 -2.529 -1.169) 5.195 6.760 ( -9.858 19.001 0.527) 21.413 7.004 ( 2.170 17.025 -0.068) 17.163 7.614 ( -3.952 5.496 5.826) 8.931 7.800 ( 6.375 4.498 -5.651) 9.634 8.411 ( 0.455 1.424 0.705) 1.653 8.432 ( 1.432 -0.375 -0.614) 1.603 9.122 ( -8.558 6.663 2.169) 11.061 9.298 ( -0.884 10.894 -1.825) 11.081 9.679 ( 1.865 -2.228 1.507) 3.273 9.782 ( 6.145 -6.112 -1.266) 8.760 10.491 ( 1.121 16.066 0.977) 16.134 10.566 ( 4.360 14.095 -2.203) 14.917 11.972 ( -2.941 -1.316 3.482) 4.744 12.089 ( 2.491 -0.974 -3.073) 4.074 12.765 ( -9.788 -9.037 -1.600) 13.418 13.044 ( 4.302 -11.468 1.366) 12.324 14.446 ( -3.331 9.075 8.849) 13.106 14.578 ( 4.162 7.506 -6.699) 10.888 16.057 ( -3.068 17.968 2.275) 18.369 16.250 ( 8.021 18.580 -2.451) 20.385 17.554 ( -0.290 1.971 0.710) 2.115 17.566 ( 0.390 2.072 -0.423) 2.151 19.189 ( -3.398 3.149 3.821) 6.005 19.315 ( 2.817 3.863 -3.796) 6.105 19.409 ( -2.341 -17.907 0.262) 18.061 19.542 ( 3.856 -16.562 -0.896) 17.029 20.680 ( 1.347 -8.057 0.584) 8.190 20.771 ( 5.682 -6.878 -3.489) 9.579 21.785 ( 0.473 1.553 5.937) 6.155 21.906 ( 6.603 4.384 -0.169) 7.928 22.333 ( -5.766 -3.658 -5.069) 8.504 22.559 ( 6.184 -2.917 3.347) 7.613 28.891 ( -10.997 -6.524 3.543) 13.269 29.168 ( 4.896 -7.200 -1.474) 8.831 29.293 ( -12.037 -16.585 -7.887) 21.958 29.482 ( 0.485 -13.393 3.701) 13.904 ======================= Grid point 175 (88/105) ======================= q-point: (-0.25 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -19.157 -0.242 -2.603) 19.335 1.696 ( -14.411 1.986 5.053) 15.399 1.815 ( -11.787 16.306 11.523) 23.186 2.096 ( -0.904 1.937 -10.616) 10.829 2.195 ( -2.075 0.443 3.056) 3.721 2.434 ( 2.014 12.867 -12.666) 18.168 2.634 ( 3.885 3.763 -5.887) 7.994 2.783 ( 0.283 6.848 1.049) 6.933 3.273 ( 6.728 2.968 -5.403) 9.125 3.419 ( 9.187 0.997 5.681) 10.848 3.477 ( -1.018 -2.917 7.507) 8.118 3.762 ( 2.539 -0.971 -3.820) 4.689 3.895 ( 2.053 -1.818 1.814) 3.288 4.030 ( 4.674 3.196 2.713) 6.279 4.114 ( 3.380 1.373 0.802) 3.735 4.460 ( -1.302 4.366 -2.612) 5.251 4.900 ( -2.339 -8.044 4.089) 9.322 4.941 ( 0.874 -3.899 0.423) 4.018 5.021 ( -0.067 -16.086 0.884) 16.110 5.230 ( 2.901 -9.468 2.312) 10.169 5.417 ( -3.022 0.270 -0.500) 3.075 5.600 ( 3.316 -1.269 -1.355) 3.800 5.913 ( 2.650 6.039 0.002) 6.595 6.014 ( 2.828 -5.570 -0.432) 6.261 6.597 ( -7.589 21.384 -0.109) 22.691 6.978 ( -5.318 15.511 0.066) 16.397 7.625 ( -1.253 4.599 5.658) 7.398 7.858 ( 6.489 5.440 -5.747) 10.234 8.438 ( 1.439 3.200 1.123) 3.684 8.451 ( 1.022 0.961 -0.342) 1.444 9.004 ( -6.625 4.567 2.363) 8.386 9.230 ( -4.011 11.700 -1.787) 12.497 9.744 ( 3.300 -3.929 1.092) 5.246 9.869 ( 4.365 -9.483 -1.111) 10.499 10.544 ( 4.339 17.778 -0.268) 18.302 10.632 ( 4.581 17.289 -1.040) 17.916 11.963 ( -1.925 -0.165 2.754) 3.364 12.089 ( 0.900 -0.200 -2.895) 3.038 12.614 ( -6.881 -7.790 2.769) 10.756 13.073 ( -0.536 -9.518 -2.102) 9.763 14.491 ( -2.999 6.289 9.745) 11.979 14.592 ( 4.937 6.192 -5.976) 9.921 16.048 ( -1.408 17.257 3.496) 17.664 16.365 ( 8.602 16.586 -5.424) 19.455 17.555 ( 0.096 1.940 0.087) 1.944 17.571 ( 0.217 2.217 0.066) 2.229 19.174 ( -3.016 2.213 4.034) 5.502 19.301 ( 0.014 -0.741 -3.090) 3.178 19.403 ( 1.561 -15.050 -0.237) 15.133 19.589 ( 2.200 -14.624 -1.016) 14.824 20.740 ( 6.413 -7.232 -2.526) 9.990 20.824 ( 3.726 -5.438 -3.025) 7.253 21.910 ( 4.774 -5.225 4.837) 8.573 22.061 ( 7.383 5.935 5.663) 11.036 22.215 ( -0.503 -5.423 -3.553) 6.503 22.679 ( 4.607 -2.039 0.995) 5.135 28.690 ( -14.989 -6.971 0.428) 16.536 28.928 ( -18.661 -7.318 -4.776) 20.606 29.236 ( 3.391 -7.129 0.244) 7.899 29.485 ( -2.195 -12.731 0.786) 12.943 ======================= Grid point 176 (89/105) ======================= q-point: (-0.12 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -4.135 11.499 9.027) 15.193 1.539 ( -10.136 4.219 4.501) 11.865 1.749 ( -12.709 12.706 15.330) 23.621 1.936 ( 3.357 12.177 -12.743) 17.942 2.212 ( -3.324 5.628 0.279) 6.543 2.318 ( 2.467 10.180 -15.645) 18.828 2.661 ( 1.958 8.603 2.011) 9.050 2.809 ( 2.775 3.001 -0.037) 4.087 3.348 ( 6.692 0.648 -2.307) 7.108 3.478 ( -4.417 -0.842 0.806) 4.569 3.592 ( 4.277 0.574 2.171) 4.830 3.709 ( -1.512 -0.507 -4.998) 5.247 4.015 ( 7.619 -2.156 4.272) 8.997 4.090 ( 0.285 4.973 1.352) 5.161 4.249 ( 8.193 -0.224 -1.140) 8.275 4.359 ( -3.254 3.105 -0.352) 4.511 4.767 ( -8.218 -5.794 -5.182) 11.312 4.852 ( -11.217 -9.740 -0.596) 14.868 5.179 ( 7.013 -9.660 8.747) 14.799 5.309 ( 4.629 -10.822 0.760) 11.795 5.463 ( 3.964 -7.510 4.416) 9.572 5.633 ( 0.929 -2.478 -1.013) 2.834 5.959 ( 2.315 5.264 0.164) 5.752 6.036 ( -0.188 -4.798 -0.350) 4.815 6.529 ( 1.494 20.961 -0.647) 21.024 6.826 ( -10.782 13.826 -0.149) 17.534 7.682 ( -0.305 5.788 6.700) 8.859 7.898 ( 4.923 6.274 -6.414) 10.234 8.460 ( 0.326 0.954 0.239) 1.036 8.475 ( 0.871 3.666 1.022) 3.904 8.953 ( -1.706 6.054 2.405) 6.734 9.132 ( -4.397 10.975 -1.984) 11.988 9.809 ( 2.588 -6.808 1.005) 7.352 9.904 ( 1.058 -10.744 -1.346) 10.880 10.629 ( 5.097 18.338 -0.605) 19.043 10.691 ( 2.604 20.518 -0.877) 20.701 11.962 ( -0.731 0.355 1.829) 2.001 12.063 ( -0.388 0.385 -2.579) 2.637 12.591 ( -2.137 -6.303 7.685) 10.166 12.996 ( -2.679 -7.702 -5.850) 10.036 14.532 ( -4.424 4.117 9.712) 11.439 14.628 ( 5.656 4.396 -5.180) 8.841 16.080 ( -0.425 16.874 5.549) 17.768 16.412 ( 4.990 14.293 -9.516) 17.882 17.560 ( 0.137 1.997 0.237) 2.015 17.573 ( 0.072 2.243 -0.117) 2.247 19.165 ( -2.780 0.078 4.057) 4.919 19.268 ( 0.235 -2.319 -3.137) 3.908 19.446 ( 2.720 -13.900 0.743) 14.183 19.594 ( 0.146 -13.034 -1.973) 13.183 20.821 ( 7.201 -5.390 -7.777) 11.891 20.845 ( 0.520 -7.323 0.831) 7.388 21.979 ( 0.224 -3.769 3.203) 4.951 22.207 ( 3.783 -4.637 -4.048) 7.225 22.335 ( 9.476 -3.720 10.149) 14.375 22.742 ( 2.042 -3.615 -1.115) 4.299 28.392 ( -12.400 1.572 -1.793) 12.627 28.608 ( -15.585 0.119 1.291) 15.638 29.295 ( 2.297 -7.861 1.267) 8.287 29.440 ( -2.268 -11.426 -1.105) 11.701 ======================= Grid point 177 (90/105) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 7.816 11.429 8.444) 16.217 1.551 ( -3.440 6.792 -1.000) 7.679 1.787 ( -7.094 0.657 13.014) 14.836 2.002 ( -0.388 -5.521 -6.739) 8.720 2.365 ( 1.684 12.739 0.181) 12.851 2.515 ( 4.327 12.024 -12.289) 17.730 2.882 ( 1.518 2.903 3.334) 4.674 2.963 ( 0.633 10.669 -4.222) 11.491 3.400 ( 3.335 -1.624 1.432) 3.976 3.434 ( -6.053 4.389 -0.896) 7.530 3.592 ( -5.091 -0.888 4.165) 6.638 3.702 ( 3.085 2.701 -3.821) 5.605 4.129 ( 1.873 -1.542 4.669) 5.262 4.202 ( 1.492 2.099 -0.365) 2.601 4.262 ( -1.116 -1.726 -0.901) 2.244 4.312 ( -1.967 -0.599 -4.222) 4.696 4.556 ( -2.530 -4.148 0.569) 4.892 4.574 ( 1.139 -4.679 -0.833) 4.887 5.087 ( -0.186 -10.156 3.273) 10.672 5.103 ( 0.478 -11.255 1.498) 11.365 5.501 ( 4.519 -0.610 2.075) 5.010 5.549 ( -3.925 -0.913 -2.299) 4.640 5.982 ( -2.415 -1.697 0.785) 3.055 6.005 ( 2.949 -1.993 -1.335) 3.801 7.014 ( -2.828 22.077 2.983) 22.456 7.080 ( 2.769 21.799 -3.156) 22.200 7.874 ( -1.645 5.793 6.122) 8.588 7.999 ( 1.286 3.537 -5.496) 6.661 8.501 ( -1.419 2.161 1.739) 3.115 8.540 ( 1.576 2.921 -1.731) 3.743 9.047 ( -2.298 -5.221 1.448) 5.885 9.072 ( 2.116 -7.318 -1.007) 7.684 9.742 ( -0.750 -0.227 2.051) 2.196 9.776 ( 0.530 -0.733 -1.039) 1.377 11.121 ( 1.387 21.840 2.686) 22.049 11.179 ( -1.193 24.297 -2.465) 24.450 12.003 ( -0.609 1.951 2.039) 2.887 12.049 ( 0.285 0.991 -2.102) 2.341 12.513 ( 3.857 -10.993 5.578) 12.917 12.633 ( -3.082 -15.478 -5.431) 16.690 14.695 ( -3.644 10.017 4.333) 11.507 14.783 ( 3.557 6.736 -3.777) 8.502 16.446 ( -0.344 11.217 5.867) 12.664 16.582 ( 0.111 7.363 -6.697) 9.954 17.614 ( -0.336 3.076 0.701) 3.173 17.629 ( 0.178 3.010 -0.652) 3.085 19.054 ( -0.243 -10.086 2.883) 10.493 19.103 ( -0.859 -10.339 -1.019) 10.424 19.325 ( -1.227 -1.410 4.118) 4.522 19.423 ( 1.773 -1.064 -4.672) 5.109 20.612 ( -4.340 -10.083 0.973) 11.021 20.692 ( 5.865 -10.028 -7.106) 13.619 21.980 ( -0.060 -1.683 6.640) 6.851 22.094 ( -0.633 -3.349 -4.200) 5.409 22.468 ( 2.495 -2.668 7.066) 7.954 22.596 ( -2.927 -4.901 -4.922) 7.537 28.468 ( 2.524 6.284 1.208) 6.879 28.493 ( -2.138 5.364 -1.091) 5.877 29.149 ( 0.275 -9.577 0.664) 9.604 29.164 ( -0.334 -10.665 -0.707) 10.694 ======================= Grid point 178 (91/105) ======================= q-point: ( 0.12 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -5.450 8.154 -8.017) 12.667 1.656 ( 7.789 7.084 2.521) 10.826 1.761 ( -6.578 -1.169 5.389) 8.584 2.033 ( 4.364 -0.965 6.601) 7.972 2.384 ( 0.665 13.743 0.412) 13.765 2.470 ( 4.081 8.530 -11.409) 14.818 2.687 ( -11.511 1.510 -1.585) 11.717 3.114 ( 5.976 8.207 -2.010) 10.349 3.304 ( -6.627 1.320 0.227) 6.761 3.476 ( -0.019 -1.519 4.659) 4.900 3.599 ( 0.237 2.727 6.359) 6.923 3.733 ( 3.692 3.966 -4.217) 6.867 4.034 ( -9.076 -2.110 -1.383) 9.420 4.179 ( -2.825 -0.983 -1.275) 3.251 4.208 ( -3.117 1.728 0.317) 3.578 4.362 ( 2.780 1.805 1.914) 3.828 4.513 ( 1.139 -7.888 3.457) 8.687 4.690 ( 7.369 -7.090 -0.633) 10.245 5.070 ( -3.018 -10.394 -0.854) 10.857 5.090 ( -2.306 -9.037 0.219) 9.329 5.456 ( -2.646 1.714 -2.366) 3.942 5.591 ( 2.700 -0.752 1.383) 3.125 5.930 ( -2.749 -1.729 0.390) 3.271 6.053 ( 2.513 -0.021 -1.162) 2.769 6.989 ( -0.365 23.361 1.403) 23.406 7.189 ( 9.314 18.538 -1.355) 20.790 7.822 ( -8.079 3.925 2.577) 9.345 7.978 ( 0.172 4.554 -2.070) 5.005 8.488 ( -1.443 0.891 0.892) 1.916 8.582 ( 3.072 6.162 -1.106) 6.974 8.921 ( -4.794 -9.423 0.579) 10.589 9.224 ( 8.392 -4.674 -0.208) 9.609 9.740 ( -1.455 -0.329 1.298) 1.977 9.773 ( 0.278 0.687 -0.927) 1.187 11.091 ( -5.014 23.194 -2.546) 23.866 11.131 ( -3.250 22.543 2.123) 22.875 12.009 ( -1.834 -0.233 2.665) 3.243 12.042 ( 1.715 3.128 -2.033) 4.106 12.502 ( -3.067 -16.165 -4.961) 17.185 12.672 ( 5.915 -11.442 3.634) 13.384 14.672 ( -3.764 10.450 4.075) 11.831 14.800 ( 2.851 6.673 -3.931) 8.253 16.501 ( -1.090 9.885 5.536) 11.382 16.509 ( -0.376 9.854 -5.133) 11.117 17.611 ( -0.647 3.344 0.479) 3.439 17.627 ( 0.169 2.819 -0.226) 2.833 19.076 ( -0.336 -11.504 -0.131) 11.510 19.095 ( 0.762 -9.131 1.836) 9.345 19.342 ( -1.956 -2.532 4.173) 5.258 19.404 ( 2.028 0.883 -4.942) 5.415 20.531 ( -6.280 -9.553 2.427) 11.687 20.708 ( 2.822 -10.630 -4.906) 12.043 22.006 ( -3.418 -1.572 -3.505) 5.141 22.019 ( -3.048 -2.718 4.906) 6.384 22.438 ( -6.470 -1.382 -4.454) 7.976 22.576 ( 0.288 -5.077 4.812) 7.002 28.456 ( 2.646 4.178 -0.352) 4.958 28.641 ( 11.378 1.670 -0.276) 11.503 29.105 ( -2.389 -10.127 -0.044) 10.405 29.216 ( 3.314 -8.725 0.172) 9.335 ======================= Grid point 179 (92/105) ======================= q-point: ( 0.25 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.436 3.330 -6.449) 7.271 1.712 ( 2.162 -4.494 -1.978) 5.365 1.841 ( 1.787 5.707 11.642) 13.088 2.181 ( 5.578 -4.560 -0.262) 7.209 2.414 ( 7.213 5.926 -15.127) 17.775 2.435 ( 1.267 12.433 8.310) 15.008 2.539 ( -5.306 1.864 3.032) 6.389 3.057 ( -8.749 7.747 -1.864) 11.833 3.210 ( -5.076 1.277 1.396) 5.417 3.464 ( -6.898 -2.489 2.276) 7.679 3.656 ( -3.076 0.846 4.530) 5.541 3.715 ( 0.515 2.322 -5.929) 6.388 3.890 ( -4.837 -0.269 -0.913) 4.929 4.095 ( -4.526 0.209 -1.624) 4.813 4.169 ( -0.179 2.507 -0.619) 2.589 4.434 ( -0.206 0.278 5.634) 5.644 4.607 ( 3.956 -9.852 3.938) 11.323 4.809 ( 7.358 -9.089 -3.205) 12.126 4.975 ( -2.564 -4.841 -3.655) 6.585 5.065 ( -0.110 -6.859 -0.071) 6.861 5.429 ( 1.121 3.479 -0.149) 3.658 5.615 ( -0.906 1.817 0.286) 2.050 5.902 ( -1.334 -0.001 1.296) 1.860 6.059 ( -0.241 2.421 -1.563) 2.891 7.036 ( 3.940 20.937 0.867) 21.322 7.334 ( 6.904 16.978 -1.057) 18.358 7.703 ( -6.268 0.920 1.850) 6.600 7.942 ( -1.903 4.714 -1.336) 5.256 8.465 ( -1.941 0.708 0.311) 2.089 8.563 ( -4.044 5.516 -0.567) 6.863 8.953 ( 7.205 -7.906 0.531) 10.710 9.343 ( 4.716 -4.356 -0.150) 6.422 9.723 ( -1.131 0.893 0.249) 1.462 9.766 ( -0.363 2.617 -0.360) 2.667 10.969 ( -5.315 22.403 -1.850) 23.099 11.060 ( -6.180 22.286 1.119) 23.154 11.988 ( -3.675 -3.526 2.979) 5.900 12.064 ( 3.022 4.527 -2.856) 6.147 12.423 ( -0.306 -16.816 -2.618) 17.021 12.791 ( 3.777 -12.677 1.115) 13.274 14.656 ( -2.919 11.515 4.295) 12.632 14.802 ( 2.199 7.686 -3.988) 8.934 16.455 ( 0.428 11.500 -4.077) 12.209 16.528 ( -2.882 10.084 4.994) 11.616 17.604 ( -0.484 3.431 0.325) 3.480 17.627 ( -0.083 2.930 0.046) 2.932 19.066 ( 0.657 -12.714 -1.427) 12.810 19.136 ( 0.404 -10.133 2.748) 10.506 19.335 ( -3.594 -2.068 3.770) 5.604 19.399 ( 3.118 4.021 -4.338) 6.687 20.448 ( -6.419 -9.983 3.595) 12.401 20.680 ( -0.313 -10.911 -4.585) 11.840 21.911 ( -3.915 -1.147 -2.012) 4.549 22.010 ( -1.633 -4.522 4.119) 6.331 22.272 ( -6.395 3.500 -4.157) 8.392 22.599 ( -2.037 -4.517 2.189) 5.417 28.558 ( 7.712 -2.107 0.739) 8.029 28.821 ( 7.935 -6.311 -0.955) 10.183 29.083 ( 0.785 -5.787 -0.120) 5.842 29.273 ( 2.647 -7.521 0.221) 7.976 ======================= Grid point 180 (93/105) ======================= q-point: ( 0.38 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 10.245 -5.353 1.918) 11.717 1.771 ( 3.403 -10.995 0.773) 11.535 1.937 ( -6.172 5.585 12.536) 15.048 2.253 ( 6.244 2.594 -0.693) 6.797 2.402 ( 9.754 -6.769 -15.899) 19.842 2.547 ( 0.955 11.263 5.955) 12.776 2.661 ( 11.822 3.085 8.184) 14.705 2.837 ( -11.547 9.346 -2.034) 14.994 3.093 ( -11.121 0.644 -0.708) 11.162 3.304 ( -9.003 -0.513 -0.554) 9.035 3.575 ( -5.584 -4.128 -0.989) 7.015 3.633 ( -4.900 -1.923 -2.557) 5.852 3.847 ( -0.245 2.672 0.333) 2.704 4.000 ( -3.092 1.994 -3.364) 4.985 4.175 ( 1.181 2.048 0.228) 2.376 4.406 ( -7.216 -3.917 1.598) 8.365 4.725 ( 3.499 -6.334 2.509) 7.659 4.834 ( 3.501 -8.726 -5.413) 10.849 5.006 ( 6.012 1.162 -0.072) 6.124 5.085 ( 1.482 -4.254 0.689) 4.557 5.470 ( 2.035 1.934 1.164) 3.039 5.581 ( -2.387 4.074 -0.226) 4.727 5.907 ( -0.602 2.659 2.579) 3.753 6.021 ( -1.373 3.980 -1.979) 4.652 7.132 ( 5.328 16.887 0.950) 17.733 7.359 ( -2.534 14.739 -1.462) 15.027 7.689 ( 1.399 1.937 3.216) 4.007 7.891 ( -1.487 4.316 -2.243) 5.086 8.432 ( -1.467 0.573 -0.103) 1.578 8.475 ( -4.175 2.340 -0.417) 4.804 9.124 ( 10.021 -4.774 0.321) 11.104 9.373 ( -1.599 -4.901 0.060) 5.156 9.713 ( -0.027 4.320 0.188) 4.324 9.752 ( -0.807 4.082 -0.298) 4.172 10.882 ( -2.535 21.969 -0.540) 22.122 10.957 ( -5.290 21.326 -0.155) 21.973 11.952 ( -4.001 -5.126 3.699) 7.481 12.065 ( 2.054 1.087 -5.460) 5.934 12.461 ( 4.200 -15.742 2.869) 16.543 12.812 ( -0.790 -13.332 -2.581) 13.602 14.662 ( -1.889 12.716 4.818) 13.728 14.797 ( 1.962 9.265 -3.995) 10.278 16.442 ( 2.078 12.096 -2.396) 12.505 16.504 ( -4.354 11.168 2.937) 12.341 17.603 ( -0.159 3.508 0.467) 3.542 17.624 ( -0.227 2.999 -0.101) 3.010 19.077 ( 2.322 -13.734 -1.348) 13.994 19.149 ( -1.890 -14.060 1.502) 14.266 19.309 ( -3.944 2.536 4.909) 6.789 19.414 ( 3.428 6.033 -4.344) 8.186 20.391 ( -4.042 -11.613 4.172) 12.985 20.608 ( -1.102 -11.454 -5.821) 12.896 21.841 ( -1.757 1.156 0.040) 2.104 22.039 ( -2.923 -2.834 1.285) 4.269 22.167 ( 0.860 3.625 0.827) 3.816 22.546 ( -4.112 -4.460 -1.791) 6.325 28.711 ( 7.548 -9.136 0.769) 11.876 28.871 ( -1.116 -12.750 -0.012) 12.799 29.148 ( 5.585 -0.774 0.127) 5.640 29.303 ( 0.464 -6.609 -0.387) 6.637 ======================= Grid point 181 (94/105) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 8.417 -9.698 5.401) 13.931 1.715 ( -4.678 -8.462 -7.401) 12.176 1.984 ( -6.281 -1.861 17.991) 19.146 2.286 ( -2.001 -3.480 -4.503) 6.033 2.530 ( 10.175 3.041 -3.828) 11.288 2.582 ( -4.936 9.278 -5.435) 11.831 2.684 ( 3.032 3.345 7.149) 8.455 2.834 ( -3.049 2.907 -5.691) 7.080 3.025 ( 14.540 5.466 4.974) 16.310 3.129 ( -9.282 0.401 -4.043) 10.132 3.497 ( -5.335 -3.649 1.502) 6.637 3.540 ( 1.432 -3.491 -2.088) 4.313 3.862 ( -0.631 1.168 2.142) 2.520 3.930 ( 1.148 3.680 -4.451) 5.888 4.215 ( -1.520 -1.646 3.724) 4.346 4.286 ( -0.912 1.008 -2.645) 2.974 4.767 ( -1.836 -7.247 2.559) 7.902 4.834 ( 1.209 -7.994 -3.623) 8.860 5.090 ( -0.861 -1.254 0.960) 1.799 5.102 ( 1.309 -0.413 -0.184) 1.385 5.511 ( -0.258 3.206 1.680) 3.629 5.545 ( 0.951 3.539 -1.543) 3.976 5.928 ( -0.401 4.020 2.989) 5.025 5.989 ( 0.818 4.105 -2.614) 4.935 7.220 ( -1.161 14.409 2.951) 14.754 7.283 ( 0.827 13.355 -2.956) 13.704 7.750 ( -1.753 5.214 4.838) 7.326 7.850 ( 1.943 2.811 -4.358) 5.538 8.416 ( -1.029 0.783 0.424) 1.361 8.429 ( 0.793 1.024 -0.717) 1.480 9.283 ( -1.702 -3.724 0.645) 4.145 9.294 ( 1.584 -5.049 -0.349) 5.304 9.715 ( -1.479 5.792 1.307) 6.119 9.740 ( 1.010 4.601 -1.037) 4.823 10.863 ( -1.072 21.314 1.141) 21.371 10.899 ( 1.692 21.396 -1.947) 21.551 11.932 ( -3.010 -4.916 4.600) 7.375 12.042 ( 2.373 -2.359 -5.528) 6.462 12.600 ( 5.151 -15.855 5.431) 17.533 12.715 ( -4.663 -12.404 -5.316) 14.278 14.684 ( -1.810 13.498 5.051) 14.525 14.786 ( 1.867 10.249 -4.430) 11.320 16.447 ( -4.301 12.460 1.596) 13.278 16.479 ( 4.173 11.393 -1.316) 12.204 17.607 ( -0.107 3.544 0.664) 3.607 17.619 ( 0.046 2.998 -0.399) 3.025 19.104 ( -3.438 -15.218 0.462) 15.609 19.121 ( 3.598 -15.185 -0.979) 15.636 19.299 ( -4.325 5.493 6.415) 9.489 19.426 ( 3.570 6.544 -5.129) 9.048 20.402 ( -0.597 -13.031 5.204) 14.044 20.540 ( 2.248 -12.138 -7.481) 14.434 21.861 ( 0.528 4.526 3.730) 5.889 21.939 ( -2.704 3.594 -3.351) 5.609 22.302 ( 6.682 -3.628 5.781) 9.552 22.419 ( -5.712 -4.444 -5.007) 8.801 28.807 ( -3.232 -11.523 1.544) 12.067 28.837 ( 3.418 -13.330 -1.143) 13.809 29.240 ( 2.555 -2.635 1.317) 3.900 29.272 ( -2.400 -4.866 -1.494) 5.627 ======================= Grid point 182 (95/105) ======================= q-point: (-0.38 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -12.093 -5.973 -6.688) 15.055 1.775 ( 2.326 -10.729 0.913) 11.017 2.024 ( -10.664 -0.570 16.812) 19.917 2.136 ( -7.548 -0.548 -3.513) 8.343 2.324 ( -5.364 3.395 -5.916) 8.677 2.632 ( 0.384 2.395 -2.474) 3.465 2.840 ( 13.264 7.792 -2.660) 15.612 2.862 ( -3.885 8.281 -9.074) 12.884 3.069 ( 15.253 -1.061 1.696) 15.384 3.283 ( 7.410 1.335 0.502) 7.546 3.460 ( -0.732 2.239 6.724) 7.125 3.624 ( 6.786 -3.822 0.605) 7.811 3.854 ( -0.318 0.450 0.042) 0.552 3.969 ( 5.125 3.431 -0.837) 6.224 4.160 ( -3.384 0.442 1.451) 3.709 4.393 ( 8.119 -1.187 2.516) 8.582 4.728 ( -4.841 -8.175 3.361) 10.078 4.793 ( -2.600 -9.056 -2.712) 9.805 5.009 ( -6.604 1.895 -0.573) 6.895 5.091 ( -2.807 -4.773 0.195) 5.541 5.488 ( -1.606 2.710 -0.529) 3.194 5.589 ( 3.249 3.834 -0.727) 5.078 5.947 ( -0.164 1.413 0.464) 1.496 5.996 ( 2.366 4.848 -1.149) 5.515 7.136 ( -6.432 16.283 0.758) 17.524 7.346 ( 3.445 15.291 -0.392) 15.679 7.704 ( -5.128 2.384 2.137) 6.045 7.889 ( 4.879 3.371 -2.247) 6.341 8.422 ( 1.036 1.102 0.751) 1.689 8.475 ( 4.455 2.130 -0.359) 4.951 9.124 ( -10.151 -3.808 0.265) 10.845 9.375 ( 1.488 -5.183 -0.068) 5.393 9.699 ( -1.199 3.967 1.156) 4.303 9.756 ( 1.116 3.436 -0.393) 3.634 10.871 ( 1.905 20.078 0.239) 20.170 10.970 ( 6.816 23.680 -1.153) 24.669 11.943 ( -1.459 -2.565 4.857) 5.683 12.040 ( 2.992 -4.065 -3.799) 6.317 12.550 ( -6.031 -10.476 -5.237) 13.174 12.735 ( 2.934 -16.911 4.378) 17.713 14.699 ( -2.257 13.297 4.587) 14.246 14.770 ( 1.856 9.998 -4.644) 11.179 16.397 ( -3.008 13.272 1.729) 13.718 16.553 ( 5.403 9.580 -1.558) 11.108 17.607 ( -0.264 3.210 0.171) 3.225 17.623 ( 0.505 3.315 -0.061) 3.354 19.053 ( -2.519 -14.709 0.663) 14.938 19.172 ( 2.033 -15.236 -0.442) 15.377 19.287 ( -3.744 5.767 5.510) 8.811 19.434 ( 3.112 5.077 -4.709) 7.591 20.459 ( 2.246 -12.058 2.325) 12.483 20.557 ( 7.200 -12.578 -5.371) 15.457 21.833 ( -2.714 3.244 1.098) 4.370 22.004 ( 6.459 3.924 2.686) 8.021 22.255 ( -5.330 -3.134 -5.880) 8.533 22.479 ( 6.359 -4.634 4.377) 9.004 28.711 ( -7.215 -8.690 0.682) 11.316 28.886 ( 1.301 -14.031 -1.173) 14.140 29.159 ( -6.428 -1.683 -0.834) 6.697 29.290 ( 0.215 -5.554 0.746) 5.608 ======================= Grid point 183 (96/105) ======================= q-point: (-0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -6.894 2.226 -1.229) 7.348 1.693 ( -7.820 -2.989 0.531) 8.389 1.971 ( -13.793 -0.372 11.219) 17.784 2.055 ( 0.222 -6.314 -0.052) 6.318 2.249 ( 2.287 6.977 -2.612) 7.793 2.630 ( 5.074 0.739 -6.008) 7.898 2.708 ( 0.533 11.459 -13.020) 17.353 3.037 ( 8.770 12.058 -0.458) 14.917 3.250 ( 4.150 -3.369 -1.928) 5.682 3.442 ( 9.224 0.843 4.484) 10.291 3.551 ( -1.494 6.447 8.068) 10.435 3.740 ( 5.178 -1.661 -2.110) 5.833 3.873 ( 3.073 0.307 0.325) 3.105 4.074 ( 6.686 0.634 0.362) 6.726 4.148 ( 0.394 2.415 1.044) 2.660 4.519 ( 0.544 0.468 -1.717) 1.861 4.678 ( -5.148 -12.101 3.209) 13.537 4.714 ( -1.405 -9.291 -0.409) 9.406 4.909 ( -2.551 -0.986 1.631) 3.185 5.049 ( -1.662 -7.512 1.301) 7.803 5.443 ( -1.986 2.798 -1.297) 3.668 5.627 ( 1.529 2.220 -0.630) 2.769 5.938 ( 0.461 -0.902 -1.588) 1.883 6.031 ( 0.987 3.327 0.708) 3.542 7.041 ( -4.504 20.183 0.528) 20.686 7.326 ( -5.563 17.845 -0.477) 18.698 7.692 ( 1.736 1.038 2.658) 3.340 7.955 ( 5.114 3.287 -2.315) 6.505 8.458 ( 1.650 1.434 0.870) 2.353 8.561 ( 4.597 5.666 -0.408) 7.307 8.957 ( -7.558 -6.888 0.196) 10.228 9.341 ( -4.901 -4.408 0.040) 6.592 9.704 ( 0.125 0.416 1.418) 1.483 9.768 ( 0.646 1.403 -0.191) 1.556 10.937 ( 4.553 20.301 0.831) 20.822 11.089 ( 7.230 24.867 -1.345) 25.932 11.974 ( -0.715 0.581 3.887) 3.995 12.059 ( 2.333 -3.567 -2.248) 4.819 12.420 ( -3.077 -9.534 -2.294) 10.277 12.786 ( -0.939 -17.068 1.532) 17.163 14.704 ( -2.198 11.982 4.134) 12.864 14.758 ( 2.087 8.952 -4.174) 10.095 16.380 ( -1.615 13.358 2.876) 13.759 16.620 ( 4.519 7.340 -3.398) 9.265 17.606 ( 0.019 3.049 0.117) 3.051 17.630 ( 0.365 3.374 -0.130) 3.396 19.032 ( -1.096 -13.651 1.324) 13.759 19.169 ( -1.946 -10.837 0.521) 11.023 19.293 ( -1.484 1.920 3.744) 4.461 19.436 ( 2.615 1.614 -4.303) 5.288 20.543 ( 6.606 -10.570 -1.649) 12.573 20.635 ( 5.769 -11.580 -3.734) 13.466 21.844 ( 0.506 -0.765 4.106) 4.207 22.095 ( 0.447 -5.920 -3.441) 6.862 22.196 ( 4.797 6.629 2.574) 8.578 22.608 ( 4.353 -4.662 1.263) 6.502 28.573 ( -7.885 -3.329 -0.464) 8.572 28.815 ( -8.318 -5.611 -0.505) 10.046 29.081 ( -0.790 -5.626 0.028) 5.682 29.274 ( -2.368 -7.613 0.181) 7.975 ======================= Grid point 184 (97/105) ======================= q-point: (-0.12 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 4.716 11.182 8.365) 14.739 1.603 ( -5.110 1.770 3.978) 6.714 1.831 ( -9.944 -0.114 6.286) 11.765 2.060 ( 0.288 -6.731 -1.973) 7.020 2.314 ( 3.735 10.341 0.765) 11.021 2.590 ( 2.944 10.898 -14.180) 18.125 2.705 ( 9.268 3.453 -3.060) 10.353 3.087 ( -3.671 15.379 0.341) 15.814 3.312 ( 4.315 -3.962 0.511) 5.881 3.541 ( -3.568 4.891 0.813) 6.108 3.596 ( 0.464 0.095 4.786) 4.809 3.733 ( -0.357 2.183 -4.607) 5.111 3.984 ( 6.920 -0.942 2.198) 7.321 4.165 ( 2.092 -0.470 0.285) 2.163 4.225 ( 7.700 1.073 -0.849) 7.820 4.403 ( -6.225 1.920 -1.788) 6.755 4.601 ( -3.358 -10.084 -4.090) 11.388 4.669 ( -5.534 -6.077 1.435) 8.343 4.993 ( 4.471 -7.672 5.460) 10.424 5.066 ( 0.767 -10.451 2.289) 10.726 5.425 ( 1.397 2.053 0.548) 2.542 5.619 ( -1.547 -0.391 -1.116) 1.947 5.947 ( 2.427 -2.335 -1.062) 3.532 6.032 ( -1.650 0.656 0.571) 1.865 6.999 ( -0.648 22.473 0.667) 22.492 7.182 ( -8.132 19.364 -0.923) 21.022 7.788 ( 3.602 3.891 4.345) 6.855 8.008 ( 3.750 3.475 -3.616) 6.262 8.490 ( 0.889 1.963 0.709) 2.268 8.577 ( -2.339 6.200 -0.647) 6.658 8.924 ( 4.231 -8.653 0.302) 9.637 9.219 ( -8.421 -5.029 0.208) 9.810 9.725 ( 0.149 -0.725 1.804) 1.950 9.775 ( 0.501 -0.198 -0.432) 0.691 11.038 ( 4.500 20.974 2.084) 21.552 11.177 ( 3.954 24.955 -1.888) 25.336 11.993 ( -0.827 2.258 2.364) 3.372 12.065 ( 0.830 -1.016 -2.175) 2.540 12.411 ( 1.537 -10.280 2.886) 10.787 12.739 ( -3.427 -16.265 -2.331) 16.785 14.707 ( -2.860 10.602 4.519) 11.874 14.761 ( 3.239 7.638 -3.983) 9.203 16.399 ( -0.682 12.597 4.420) 13.368 16.631 ( 2.122 6.266 -5.684) 8.722 17.610 ( 0.039 2.950 0.377) 2.974 17.632 ( 0.185 3.266 -0.434) 3.300 19.036 ( -0.640 -11.866 2.121) 12.071 19.134 ( -1.969 -9.752 -0.012) 9.949 19.305 ( -1.372 0.290 3.631) 3.893 19.435 ( 2.241 -1.150 -4.275) 4.962 20.631 ( 4.343 -10.548 -2.075) 11.595 20.666 ( 3.609 -9.971 -5.531) 11.960 21.907 ( 0.488 -2.063 5.484) 5.880 22.098 ( 3.151 -5.667 -2.071) 6.807 22.333 ( 4.932 2.588 4.716) 7.299 22.653 ( 1.081 -4.929 -2.163) 5.490 28.454 ( -3.691 4.078 -0.219) 5.504 28.635 ( -10.291 2.206 0.271) 10.528 29.103 ( 2.301 -9.580 0.124) 9.854 29.220 ( -3.305 -9.283 -0.197) 9.856 ======================= Grid point 185 (98/105) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.406 5.965 5.231) 7.945 1.674 ( 4.914 4.033 1.857) 6.622 1.767 ( -4.378 -0.553 5.568) 7.105 1.862 ( 2.343 -7.004 -2.330) 7.744 2.563 ( 0.721 6.541 0.212) 6.584 2.634 ( 1.565 0.161 -5.637) 5.853 3.032 ( 1.462 9.716 3.704) 10.500 3.146 ( -2.664 3.728 -6.860) 8.249 3.323 ( 0.989 -2.023 4.442) 4.980 3.414 ( -5.244 -5.985 -4.333) 9.061 3.659 ( -2.224 5.334 2.569) 6.324 3.731 ( 2.312 -0.999 -3.370) 4.207 4.126 ( 4.446 1.564 3.887) 6.109 4.189 ( 4.027 -2.990 0.751) 5.072 4.253 ( -6.934 2.330 -0.910) 7.371 4.319 ( -0.861 -1.610 -4.352) 4.719 4.489 ( -3.511 -0.232 1.025) 3.665 4.515 ( 2.816 -1.516 -1.239) 3.430 4.928 ( -0.484 -4.277 2.333) 4.896 4.934 ( 1.242 -4.776 1.717) 5.225 5.511 ( 1.502 1.196 0.787) 2.075 5.534 ( -1.523 -0.791 -1.276) 2.139 5.951 ( -0.837 -0.671 0.107) 1.078 5.963 ( 1.489 -1.617 -0.907) 2.377 7.429 ( -0.831 14.452 1.608) 14.565 7.463 ( 0.621 11.627 -1.511) 11.741 7.956 ( 0.050 2.247 3.190) 3.902 8.011 ( -0.018 -2.425 -1.813) 3.028 8.572 ( -3.372 4.482 1.247) 5.745 8.604 ( 2.842 2.717 -1.645) 4.262 8.849 ( -7.546 -9.177 0.114) 11.881 8.861 ( 8.004 -9.442 -0.910) 12.411 9.779 ( -0.324 1.981 1.792) 2.691 9.793 ( 0.009 0.686 0.536) 0.870 11.577 ( -0.237 20.828 5.950) 21.662 11.684 ( -1.872 22.706 -2.684) 22.940 11.944 ( -2.341 -9.318 4.575) 10.642 12.071 ( 5.253 -3.970 -5.943) 8.870 12.264 ( -4.794 -10.333 1.321) 11.467 12.304 ( 4.568 -10.593 -2.624) 11.830 14.878 ( -1.004 5.820 0.580) 5.934 14.903 ( 1.463 3.278 -1.691) 3.968 16.605 ( -0.234 4.410 2.110) 4.894 16.652 ( -0.113 -0.047 -2.261) 2.265 17.677 ( 0.131 2.267 0.014) 2.270 17.684 ( 0.072 1.627 -0.656) 1.755 18.884 ( -0.493 -4.032 2.762) 4.912 18.911 ( -0.781 -6.266 0.446) 6.330 19.366 ( -1.831 3.486 3.082) 5.000 19.418 ( 0.598 -0.883 -1.552) 1.884 20.453 ( -1.175 -3.493 -1.519) 3.986 20.497 ( 3.601 -7.097 -5.636) 9.752 21.977 ( 0.582 1.293 4.080) 4.320 22.025 ( 0.510 -3.072 -0.312) 3.129 22.452 ( 0.343 1.090 2.030) 2.329 22.505 ( -1.992 -3.695 -2.670) 4.975 28.596 ( 0.482 4.897 0.349) 4.933 28.603 ( -0.340 4.169 -0.301) 4.194 28.973 ( -1.556 -6.029 0.033) 6.227 28.974 ( 1.513 -6.251 -0.097) 6.432 ======================= Grid point 186 (99/105) ======================= q-point: ( 0.12 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -7.182 6.141 -3.399) 10.042 1.668 ( -4.580 -4.548 -2.532) 6.933 1.818 ( 5.558 6.178 0.897) 8.358 1.950 ( 6.936 -6.055 -1.069) 9.269 2.547 ( -3.536 3.647 1.939) 5.437 2.567 ( -2.576 1.374 -4.571) 5.424 2.888 ( -8.947 13.775 0.230) 16.428 3.133 ( -3.793 -7.678 0.936) 8.615 3.337 ( 0.434 3.623 0.678) 3.711 3.418 ( -0.786 -3.279 5.939) 6.830 3.679 ( 0.088 3.605 2.609) 4.451 3.747 ( 1.262 -2.496 -3.321) 4.342 4.091 ( -4.444 6.448 -2.854) 8.335 4.163 ( -0.951 0.120 -3.083) 3.228 4.226 ( -3.201 0.119 2.856) 4.292 4.317 ( -0.791 -8.739 3.033) 9.284 4.454 ( 1.454 5.507 1.318) 5.846 4.571 ( 4.135 -5.224 -0.121) 6.663 4.925 ( -0.675 -3.099 -0.610) 3.230 4.944 ( -0.408 -4.482 -0.707) 4.556 5.511 ( 0.569 2.901 -0.802) 3.063 5.564 ( 2.698 -2.013 0.903) 3.486 5.939 ( 0.428 2.583 -0.239) 2.629 6.012 ( 3.510 -3.482 -0.837) 5.014 7.414 ( -0.820 15.324 0.444) 15.352 7.516 ( 4.677 8.173 -0.069) 9.417 7.886 ( -7.456 4.177 -0.022) 8.547 8.003 ( -1.295 -3.215 -0.089) 3.467 8.525 ( -2.527 3.306 1.206) 4.333 8.669 ( -1.144 -10.176 0.694) 10.264 8.754 ( 2.644 9.002 -0.980) 9.433 9.000 ( 8.089 -13.191 -0.776) 15.493 9.786 ( -0.114 2.328 0.497) 2.383 9.802 ( 0.540 0.816 0.010) 0.978 11.583 ( -5.159 23.300 -2.430) 23.987 11.590 ( -5.349 19.775 5.061) 21.101 11.919 ( -5.271 -8.571 3.905) 10.794 12.063 ( 0.160 -16.383 -7.168) 17.883 12.211 ( 0.095 3.063 1.116) 3.261 12.407 ( 7.342 -12.418 -1.513) 14.505 14.868 ( -0.806 6.700 0.778) 6.793 14.912 ( 1.434 2.536 -1.485) 3.270 16.623 ( -0.306 2.590 0.795) 2.726 16.630 ( 0.024 2.098 -0.205) 2.108 17.676 ( -0.093 2.210 -0.232) 2.224 17.681 ( 0.131 1.716 -0.090) 1.723 18.894 ( -0.779 -4.386 0.833) 4.532 18.913 ( 0.165 -5.902 1.108) 6.007 19.373 ( -1.410 3.394 3.536) 5.100 19.423 ( 1.616 -0.485 -1.140) 2.036 20.398 ( -3.761 -1.617 -0.206) 4.099 20.485 ( 0.873 -9.020 -4.066) 9.933 21.978 ( -2.952 -0.494 -2.223) 3.729 21.986 ( -3.079 -1.008 0.648) 3.304 22.434 ( -3.063 1.169 -0.894) 3.398 22.485 ( -0.470 -3.538 3.426) 4.947 28.557 ( -1.062 5.539 -0.089) 5.641 28.656 ( 2.189 -2.211 -0.112) 3.113 28.969 ( 2.651 -1.032 0.054) 2.845 29.049 ( 5.128 -6.892 -0.006) 8.590 ======================= Grid point 187 (100/105) ======================= q-point: ( 0.25 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -5.565 7.411 -6.155) 11.125 1.556 ( -3.487 -9.644 -3.965) 10.995 1.950 ( 7.571 4.843 1.632) 9.135 2.057 ( 9.303 -5.785 -3.979) 11.656 2.460 ( -4.288 2.343 -3.517) 6.021 2.503 ( -3.307 -0.802 2.850) 4.439 2.825 ( -1.870 15.196 4.905) 16.077 3.076 ( -4.852 -7.603 4.017) 9.874 3.279 ( -6.791 6.685 -1.600) 9.663 3.403 ( -7.401 -4.062 3.646) 9.196 3.633 ( -8.593 -1.078 1.865) 8.859 3.670 ( -4.468 -3.486 -2.197) 6.078 4.028 ( -2.744 9.552 0.286) 9.942 4.126 ( -0.071 2.175 -3.545) 4.159 4.188 ( -3.050 -0.875 1.621) 3.563 4.286 ( -3.076 -10.337 0.617) 10.803 4.577 ( 7.584 3.804 2.403) 8.818 4.669 ( 6.618 -4.850 -1.265) 8.302 4.905 ( 1.072 -1.114 -0.983) 1.832 4.944 ( 2.299 -4.372 -1.170) 5.076 5.533 ( 2.090 5.152 -0.052) 5.561 5.614 ( 1.530 -2.174 0.798) 2.776 5.956 ( 1.288 4.725 0.220) 4.902 6.051 ( 1.766 -3.162 -0.995) 3.756 7.414 ( 0.393 14.406 0.047) 14.412 7.606 ( 3.964 -0.941 0.632) 4.123 7.742 ( -6.655 11.123 -0.726) 12.983 7.958 ( -2.942 -4.807 -0.324) 5.645 8.494 ( -2.411 2.362 0.785) 3.465 8.579 ( -6.039 -4.907 0.396) 7.791 8.903 ( 10.497 6.481 -0.031) 12.337 9.125 ( 6.323 -12.597 -0.344) 14.098 9.791 ( 0.798 2.793 -0.531) 2.953 9.811 ( 0.570 0.901 -0.271) 1.100 11.461 ( -4.393 24.033 -2.962) 24.611 11.519 ( -8.386 20.196 4.913) 22.413 11.849 ( -6.957 -10.702 4.058) 13.394 11.962 ( -2.609 -20.802 -5.284) 21.620 12.262 ( 3.785 8.215 -0.102) 9.046 12.503 ( 5.484 -13.698 -2.925) 15.042 14.870 ( -0.133 7.473 1.395) 7.603 14.924 ( 1.505 2.468 -1.022) 3.067 16.611 ( 0.069 4.014 -1.119) 4.168 16.642 ( -0.919 1.316 1.921) 2.503 17.673 ( 0.016 2.476 -0.208) 2.484 17.683 ( -0.020 1.609 0.147) 1.616 18.884 ( -0.296 -3.769 -0.557) 3.821 18.923 ( -0.631 -7.136 0.939) 7.225 19.391 ( -1.367 4.528 4.446) 6.492 19.453 ( 2.501 -0.137 -0.225) 2.515 20.317 ( -5.159 -0.668 0.037) 5.202 20.437 ( -1.383 -10.655 -4.375) 11.600 21.898 ( -2.549 0.420 -1.650) 3.066 21.934 ( -2.500 -2.810 1.386) 4.008 22.371 ( -3.530 5.557 -0.629) 6.613 22.491 ( -2.179 -5.683 1.420) 6.250 28.561 ( 1.280 2.665 0.090) 2.958 28.669 ( -0.316 -7.175 -0.058) 7.182 29.055 ( 6.105 2.312 -0.052) 6.528 29.141 ( 4.786 -5.359 0.026) 7.185 ======================= Grid point 188 (101/105) ======================= q-point: ( 0.38 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 3.824 3.563 -1.144) 5.350 1.493 ( 0.517 -13.240 -2.066) 13.410 2.063 ( 0.394 6.430 2.165) 6.796 2.208 ( 9.011 -7.424 -5.797) 13.035 2.381 ( 1.447 6.531 1.405) 6.835 2.531 ( 4.631 -6.785 2.718) 8.653 2.871 ( -1.839 10.951 5.110) 12.223 3.003 ( -9.165 0.271 3.534) 9.826 3.122 ( -5.413 6.166 -4.088) 9.167 3.277 ( -5.922 -4.532 1.349) 7.579 3.481 ( -8.786 -1.122 0.997) 8.913 3.549 ( -7.100 -5.139 -1.085) 8.831 3.977 ( -4.730 7.775 3.165) 9.635 4.070 ( -0.113 3.901 -5.504) 6.748 4.145 ( -4.255 -4.048 3.081) 6.632 4.241 ( -0.008 -8.848 -3.962) 9.695 4.703 ( 3.773 1.567 0.043) 4.085 4.734 ( 4.386 -1.605 -4.225) 6.298 4.978 ( 4.410 -1.411 2.158) 5.108 5.002 ( 4.000 -3.355 0.190) 5.224 5.575 ( 2.287 5.445 0.620) 5.938 5.634 ( -0.166 0.153 0.868) 0.897 5.985 ( 1.068 4.411 0.954) 4.638 6.054 ( 0.030 -1.226 -1.126) 1.665 7.429 ( 1.350 11.118 0.074) 11.199 7.567 ( -5.935 0.359 -0.247) 5.951 7.745 ( 4.510 7.584 0.739) 8.855 7.905 ( -2.507 -4.091 -0.498) 4.824 8.457 ( -2.004 1.579 0.257) 2.564 8.489 ( -3.943 -1.008 -0.162) 4.073 9.081 ( 8.510 2.194 0.262) 8.793 9.204 ( 2.387 -8.511 -0.117) 8.841 9.804 ( 1.102 2.644 -0.586) 2.924 9.815 ( 0.143 1.412 -0.184) 1.431 11.382 ( -1.205 25.036 -2.003) 25.145 11.413 ( -7.698 20.953 3.406) 22.581 11.774 ( -6.432 -12.761 5.063) 15.160 11.883 ( 0.091 -20.633 -4.868) 21.200 12.328 ( 3.072 5.365 0.743) 6.226 12.529 ( 2.081 -12.548 -4.843) 13.610 14.893 ( 0.425 7.791 2.040) 8.065 14.943 ( 1.452 3.158 -0.704) 3.546 16.606 ( 0.486 4.109 -0.665) 4.191 16.633 ( -1.773 1.727 1.107) 2.711 17.673 ( 0.226 2.559 -0.061) 2.570 17.683 ( -0.140 1.770 0.070) 1.777 18.877 ( 0.385 -4.482 -0.789) 4.568 18.907 ( -1.774 -7.219 0.351) 7.442 19.419 ( -1.736 6.252 5.816) 8.713 19.499 ( 2.321 0.343 0.189) 2.354 20.227 ( -3.883 -1.617 -0.605) 4.250 20.350 ( -1.384 -11.410 -6.321) 13.117 21.878 ( 0.595 2.619 1.779) 3.222 21.952 ( 0.862 -4.285 3.903) 5.859 22.292 ( -3.264 6.891 -2.021) 7.888 22.432 ( -3.942 -6.304 -2.015) 7.704 28.595 ( 2.100 -1.472 0.187) 2.572 28.655 ( -1.175 -7.017 0.136) 7.116 29.157 ( 4.712 1.536 0.011) 4.956 29.208 ( 2.384 -3.303 -0.067) 4.074 ======================= Grid point 189 (102/105) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 5.991 -3.197 0.852) 6.844 1.491 ( 1.826 -9.176 -5.123) 10.667 2.034 ( -5.365 4.876 6.012) 9.418 2.158 ( -2.688 -6.689 -4.642) 8.574 2.611 ( 9.778 3.954 5.666) 11.972 2.671 ( -0.509 -0.742 4.081) 4.179 2.762 ( -6.132 4.172 -2.358) 7.783 2.839 ( 0.294 -2.594 -5.369) 5.970 3.150 ( 4.934 7.526 3.820) 9.776 3.218 ( -1.950 4.466 -2.009) 5.271 3.400 ( -0.861 -4.520 1.907) 4.981 3.438 ( -0.828 -5.520 -1.883) 5.890 3.930 ( -5.024 5.248 4.688) 8.646 4.031 ( 0.430 2.028 -2.256) 3.064 4.113 ( -1.847 -2.727 1.794) 3.750 4.225 ( 5.020 -6.492 -6.014) 10.174 4.715 ( -2.419 0.933 0.598) 2.661 4.744 ( 0.334 -1.510 -2.295) 2.767 5.039 ( -0.141 -1.818 1.282) 2.229 5.052 ( 0.714 -2.666 -0.049) 2.761 5.618 ( -0.502 4.074 1.168) 4.267 5.632 ( 0.824 2.806 -0.063) 2.926 6.008 ( -0.218 3.254 1.388) 3.544 6.042 ( 0.814 0.466 -1.742) 1.979 7.461 ( -0.936 7.692 1.268) 7.852 7.488 ( 0.704 5.294 -1.225) 5.480 7.820 ( -0.016 1.711 1.919) 2.571 7.857 ( -0.039 -1.765 -1.559) 2.355 8.439 ( -0.414 1.051 0.390) 1.195 8.447 ( 0.057 0.384 -0.352) 0.523 9.194 ( 3.468 -2.810 -0.003) 4.463 9.197 ( -2.912 -2.935 -0.241) 4.141 9.807 ( -1.077 2.325 0.380) 2.590 9.813 ( 0.172 1.723 -0.194) 1.743 11.331 ( -4.326 22.249 2.905) 22.851 11.392 ( 4.547 24.335 -2.313) 24.864 11.737 ( -4.122 -14.462 5.872) 16.144 11.863 ( 3.722 -17.337 -5.264) 18.496 12.387 ( 1.443 -1.469 2.695) 3.391 12.481 ( -0.847 -8.813 -5.714) 10.538 14.919 ( -0.050 7.459 1.884) 7.693 14.953 ( 0.733 4.189 -1.248) 4.432 16.608 ( -1.762 3.447 0.623) 3.921 16.618 ( 1.392 2.493 -0.239) 2.866 17.679 ( 0.234 2.383 -0.002) 2.395 17.680 ( 0.012 2.119 -0.136) 2.123 18.872 ( -2.038 -5.594 0.766) 6.003 18.887 ( 1.095 -6.636 -0.581) 6.750 19.443 ( -3.168 7.355 6.403) 10.253 19.527 ( 0.930 1.184 -0.747) 1.681 20.192 ( 0.651 -4.205 0.212) 4.261 20.281 ( 2.643 -10.798 -7.400) 13.354 21.947 ( 2.474 3.579 3.938) 5.868 21.989 ( -1.204 0.264 0.809) 1.475 22.261 ( 2.148 0.457 0.965) 2.399 22.321 ( -4.086 -4.510 -3.970) 7.266 28.629 ( -0.919 -4.607 0.285) 4.706 28.633 ( 1.003 -5.164 -0.079) 5.261 29.212 ( 0.705 -0.455 0.265) 0.880 29.218 ( -0.657 -1.132 -0.323) 1.348 ======================= Grid point 190 (103/105) ======================= q-point: (-0.38 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -3.568 1.512 -6.827) 7.850 1.515 ( 3.215 -11.866 -4.263) 13.012 2.025 ( -7.690 1.497 10.000) 12.703 2.081 ( -4.814 -3.384 1.018) 5.971 2.452 ( -6.345 7.554 -4.636) 10.900 2.598 ( -4.466 -5.477 -2.693) 7.563 2.924 ( 10.127 4.715 0.436) 11.179 3.005 ( 7.981 -2.429 3.334) 8.984 3.142 ( 6.771 10.377 -5.544) 13.574 3.290 ( 3.999 -2.289 -0.195) 4.612 3.470 ( 8.141 0.282 1.338) 8.255 3.533 ( 7.912 -4.595 1.217) 9.230 3.918 ( -2.000 5.226 5.593) 7.911 4.031 ( -0.942 -2.386 3.372) 4.237 4.134 ( 4.264 3.153 -2.234) 5.754 4.289 ( 7.734 -8.162 -4.856) 12.248 4.651 ( -5.846 0.848 3.072) 6.659 4.694 ( -4.771 -2.307 0.666) 5.341 5.004 ( -4.468 -1.126 -0.203) 4.612 5.014 ( -4.095 -2.062 -0.829) 4.660 5.584 ( -2.557 5.192 -0.101) 5.788 5.648 ( 0.011 -0.018 -0.278) 0.279 6.001 ( -1.120 3.397 -0.117) 3.578 6.048 ( 0.988 -0.187 -0.942) 1.378 7.425 ( -1.743 11.145 0.364) 11.286 7.562 ( 5.653 0.918 0.147) 5.729 7.755 ( -5.135 6.397 -0.031) 8.203 7.898 ( 2.777 -3.663 0.052) 4.597 8.455 ( 1.680 1.688 0.506) 2.435 8.485 ( 4.009 -1.001 0.134) 4.134 9.091 ( -7.954 2.107 -0.573) 8.248 9.208 ( -1.867 -8.183 -0.399) 8.403 9.784 ( -2.057 2.882 0.966) 3.670 9.807 ( -0.979 0.736 0.515) 1.329 11.324 ( 0.226 22.386 2.585) 22.536 11.489 ( 8.492 24.297 -2.608) 25.871 11.751 ( -1.217 -16.495 5.708) 17.497 11.900 ( 6.506 -12.270 -5.243) 14.845 12.392 ( -2.321 -3.705 -5.010) 6.649 12.430 ( -0.906 -8.918 3.973) 9.805 14.924 ( -1.040 6.648 0.826) 6.779 14.941 ( -0.057 4.806 -1.988) 5.201 16.590 ( -1.066 5.525 0.801) 5.684 16.647 ( 1.971 0.149 -0.219) 1.989 17.676 ( -0.035 2.606 -0.256) 2.619 17.686 ( 0.441 1.850 -0.178) 1.910 18.850 ( -1.492 -3.701 1.401) 4.230 18.908 ( 1.019 -8.676 0.365) 8.743 19.435 ( -4.338 7.219 4.844) 9.716 19.515 ( -0.913 0.882 -1.483) 1.953 20.252 ( 5.395 -5.169 0.027) 7.472 20.307 ( 7.828 -9.433 -5.416) 13.401 21.918 ( -3.355 4.692 -1.491) 5.958 22.012 ( -0.111 -3.361 -0.815) 3.460 22.259 ( 1.494 3.934 -0.020) 4.208 22.369 ( 5.450 -5.697 3.542) 8.643 28.597 ( -2.038 -1.464 0.017) 2.509 28.658 ( 1.161 -7.200 -0.170) 7.295 29.159 ( -4.807 1.336 -0.161) 4.992 29.206 ( -2.243 -3.044 0.097) 3.782 ======================= Grid point 191 (104/105) ======================= q-point: (-0.25 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 2.494 8.364 -0.900) 8.774 1.526 ( 3.058 -11.947 -1.762) 12.458 1.929 ( -11.231 -0.319 7.200) 13.345 1.963 ( -8.831 -2.874 1.482) 9.404 2.424 ( 4.748 8.617 -1.480) 9.950 2.578 ( 4.992 -5.422 -4.089) 8.428 2.954 ( 0.743 10.699 -4.897) 11.790 3.132 ( 2.288 -5.993 1.808) 6.665 3.278 ( 10.990 9.104 -4.532) 14.974 3.429 ( 9.128 -3.702 0.669) 9.873 3.620 ( 5.243 1.443 1.828) 5.737 3.678 ( 6.782 -3.715 0.061) 7.733 3.958 ( -0.626 6.527 4.320) 7.852 4.063 ( -0.421 -2.593 3.929) 4.726 4.207 ( 6.639 4.512 -2.558) 8.425 4.369 ( 6.564 -10.286 -4.873) 13.139 4.596 ( -6.776 0.301 1.318) 6.909 4.608 ( -3.785 -1.511 3.726) 5.522 4.891 ( -5.512 -0.197 0.125) 5.516 4.927 ( -4.297 -3.891 0.164) 5.799 5.537 ( -2.360 5.393 -0.330) 5.896 5.629 ( -1.584 -2.586 -0.437) 3.064 5.971 ( -1.377 3.612 -0.933) 3.977 6.042 ( -1.116 -2.106 -0.314) 2.404 7.410 ( -0.591 14.452 0.399) 14.470 7.615 ( -3.789 -2.590 -0.044) 4.590 7.724 ( 5.249 12.644 0.706) 13.709 7.951 ( 3.085 -5.258 0.273) 6.102 8.499 ( 2.421 2.668 0.362) 3.620 8.583 ( 6.460 -4.435 0.096) 7.837 8.915 ( -10.220 6.095 -1.012) 11.942 9.128 ( -6.066 -12.236 -0.589) 13.670 9.763 ( -1.632 2.948 1.695) 3.772 9.795 ( -1.222 0.063 1.122) 1.660 11.386 ( 2.952 21.990 3.344) 22.437 11.612 ( 7.742 23.291 -2.657) 24.687 11.814 ( 1.659 -16.422 5.126) 17.284 11.972 ( 7.050 -7.444 -4.738) 11.294 12.303 ( -1.956 -0.518 -3.881) 4.377 12.431 ( -3.712 -13.778 3.560) 14.707 14.907 ( -0.871 5.811 -0.369) 5.888 14.916 ( -0.381 4.718 -1.636) 5.008 16.586 ( -0.608 6.655 1.190) 6.787 16.674 ( 1.415 -1.509 -0.962) 2.281 17.674 ( 0.140 2.732 -0.303) 2.753 17.690 ( 0.342 1.498 -0.413) 1.591 18.849 ( -0.810 -2.749 2.225) 3.628 18.924 ( -0.214 -9.096 0.997) 9.153 19.402 ( -3.864 5.843 3.358) 7.768 19.472 ( -1.532 -0.092 -1.742) 2.322 20.365 ( 7.776 -4.463 -2.109) 9.210 20.409 ( 7.817 -8.141 -3.889) 11.938 21.873 ( -0.683 3.267 0.729) 3.416 21.970 ( -0.594 -5.667 -2.012) 6.043 22.342 ( 4.403 7.216 1.970) 8.680 22.489 ( 4.227 -6.569 1.527) 7.959 28.564 ( -1.376 2.478 -0.137) 2.838 28.670 ( 0.207 -7.115 -0.143) 7.119 29.055 ( -6.087 2.382 -0.018) 6.536 29.142 ( -4.731 -5.355 -0.001) 7.146 ======================= Grid point 192 (105/105) ======================= q-point: (-0.12 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 8.234 9.764 6.350) 14.264 1.594 ( 3.077 -3.826 3.024) 5.766 1.816 ( -7.373 -0.197 4.068) 8.423 1.877 ( -3.093 -7.041 2.266) 8.017 2.513 ( 4.772 7.866 -0.190) 9.203 2.629 ( 5.081 -2.972 -4.933) 7.680 2.940 ( 4.121 13.241 -3.527) 14.309 3.174 ( 2.975 -8.741 -0.626) 9.255 3.357 ( -0.390 9.975 -2.348) 10.255 3.515 ( 0.942 -5.036 -2.855) 5.866 3.677 ( -1.012 4.139 2.064) 4.734 3.746 ( 1.110 -2.072 -1.974) 3.070 4.004 ( 2.618 3.885 3.964) 6.137 4.099 ( 1.737 -4.037 2.497) 5.055 4.298 ( 5.778 4.087 -3.317) 7.816 4.397 ( -0.831 -5.473 -3.513) 6.556 4.485 ( -1.803 2.556 -1.681) 3.551 4.564 ( -4.200 -4.281 0.680) 6.036 4.877 ( 0.831 -2.725 3.548) 4.551 4.902 ( -0.550 -4.970 2.900) 5.781 5.501 ( -1.016 4.455 0.067) 4.570 5.585 ( -2.401 -3.087 -0.870) 4.007 5.945 ( -0.223 1.933 -0.665) 2.057 6.003 ( -2.739 -2.853 -0.148) 3.957 7.412 ( 0.330 15.289 0.583) 15.303 7.523 ( -4.586 8.039 -0.594) 9.274 7.858 ( 6.227 5.097 2.126) 8.323 8.005 ( 2.284 -4.714 -0.081) 5.239 8.542 ( 2.432 3.678 -0.216) 4.414 8.684 ( -0.342 -9.049 -0.632) 9.077 8.751 ( -0.978 8.307 -0.694) 8.393 8.994 ( -7.985 -13.105 -0.298) 15.349 9.765 ( -0.588 2.444 2.070) 3.256 9.790 ( -0.738 0.145 1.240) 1.450 11.488 ( 3.100 21.369 4.822) 22.125 11.692 ( 3.795 22.051 -2.289) 22.493 11.901 ( 1.360 -13.106 4.822) 14.031 12.035 ( 5.270 -3.670 -4.532) 7.860 12.255 ( 1.204 -2.419 -2.958) 4.007 12.373 ( -5.587 -15.506 1.490) 16.549 14.891 ( -1.015 5.371 0.375) 5.479 14.899 ( 0.861 4.206 -1.955) 4.717 16.592 ( -0.462 6.166 1.583) 6.382 16.674 ( 0.376 -1.583 -1.926) 2.521 17.674 ( 0.211 2.570 -0.194) 2.586 17.689 ( 0.187 1.429 -0.615) 1.566 18.864 ( -0.609 -3.030 2.722) 4.119 18.922 ( -1.086 -7.881 1.007) 8.019 19.375 ( -2.809 4.364 2.958) 5.973 19.434 ( -0.501 -0.768 -1.726) 1.954 20.454 ( 4.233 -4.702 -2.561) 6.825 20.476 ( 5.389 -6.476 -5.616) 10.125 21.908 ( 1.462 2.021 3.704) 4.465 21.983 ( 2.383 -4.901 0.886) 5.521 22.419 ( 2.319 5.271 0.748) 5.807 22.539 ( 1.162 -5.871 -1.435) 6.154 28.556 ( 0.928 5.575 -0.013) 5.652 28.654 ( -2.123 -2.111 0.031) 2.994 28.970 ( -2.572 -1.072 -0.033) 2.787 29.049 ( -5.141 -6.907 -0.045) 8.611 =================== 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 3/21600 10.0 276.367 179.475 228.032 0.000 -34.506 0.000 3/21600 20.0 79.987 64.452 64.481 0.000 -16.732 0.000 3/21600 30.0 38.395 33.255 31.155 0.000 -7.973 0.000 3/21600 40.0 23.991 21.374 19.540 0.000 -4.875 0.000 3/21600 50.0 17.198 15.539 14.002 0.000 -3.421 0.000 3/21600 60.0 13.346 12.183 10.842 0.000 -2.607 0.000 3/21600 70.0 10.890 10.040 8.823 0.000 -2.097 0.000 3/21600 80.0 9.194 8.567 7.430 0.000 -1.752 0.000 3/21600 90.0 7.955 7.496 6.415 0.000 -1.503 0.000 3/21600 100.0 7.013 6.684 5.644 0.000 -1.317 0.000 3/21600 110.0 6.271 6.048 5.040 0.000 -1.172 0.000 3/21600 120.0 5.674 5.534 4.554 0.000 -1.056 0.000 3/21600 130.0 5.182 5.110 4.154 0.000 -0.961 0.000 3/21600 140.0 4.771 4.754 3.821 0.000 -0.882 0.000 3/21600 150.0 4.423 4.450 3.538 0.000 -0.816 0.000 3/21600 160.0 4.124 4.187 3.295 0.000 -0.758 0.000 3/21600 170.0 3.864 3.957 3.084 0.000 -0.709 0.000 3/21600 180.0 3.638 3.753 2.900 0.000 -0.665 0.000 3/21600 190.0 3.439 3.572 2.737 0.000 -0.627 0.000 3/21600 200.0 3.262 3.409 2.593 0.000 -0.592 0.000 3/21600 210.0 3.105 3.263 2.463 0.000 -0.562 0.000 3/21600 220.0 2.963 3.130 2.347 0.000 -0.534 0.000 3/21600 230.0 2.836 3.008 2.241 0.000 -0.508 0.000 3/21600 240.0 2.721 2.897 2.146 0.000 -0.485 0.000 3/21600 250.0 2.616 2.795 2.058 0.000 -0.464 0.000 3/21600 260.0 2.521 2.700 1.978 0.000 -0.445 0.000 3/21600 270.0 2.433 2.613 1.904 0.000 -0.427 0.000 3/21600 280.0 2.353 2.531 1.836 0.000 -0.410 0.000 3/21600 290.0 2.278 2.455 1.773 0.000 -0.394 0.000 3/21600 300.0 2.209 2.385 1.714 0.000 -0.380 0.000 3/21600 310.0 2.145 2.318 1.660 0.000 -0.366 0.000 3/21600 320.0 2.085 2.255 1.609 0.000 -0.354 0.000 3/21600 330.0 2.029 2.197 1.561 0.000 -0.342 0.000 3/21600 340.0 1.976 2.141 1.516 0.000 -0.331 0.000 3/21600 350.0 1.927 2.088 1.474 0.000 -0.320 0.000 3/21600 360.0 1.880 2.038 1.434 0.000 -0.310 0.000 3/21600 370.0 1.836 1.991 1.396 0.000 -0.301 0.000 3/21600 380.0 1.795 1.946 1.361 0.000 -0.292 0.000 3/21600 390.0 1.755 1.903 1.327 0.000 -0.284 0.000 3/21600 400.0 1.717 1.862 1.295 0.000 -0.276 0.000 3/21600 410.0 1.681 1.823 1.264 0.000 -0.269 0.000 3/21600 420.0 1.647 1.785 1.235 0.000 -0.262 0.000 3/21600 430.0 1.614 1.750 1.208 0.000 -0.255 0.000 3/21600 440.0 1.583 1.715 1.181 0.000 -0.248 0.000 3/21600 450.0 1.553 1.682 1.156 0.000 -0.242 0.000 3/21600 460.0 1.524 1.650 1.132 0.000 -0.236 0.000 3/21600 470.0 1.497 1.620 1.109 0.000 -0.231 0.000 3/21600 480.0 1.470 1.591 1.087 0.000 -0.225 0.000 3/21600 490.0 1.445 1.562 1.066 0.000 -0.220 0.000 3/21600 500.0 1.420 1.535 1.045 0.000 -0.215 0.000 3/21600 510.0 1.396 1.509 1.026 0.000 -0.211 0.000 3/21600 520.0 1.373 1.483 1.007 0.000 -0.206 0.000 3/21600 530.0 1.351 1.459 0.989 0.000 -0.202 0.000 3/21600 540.0 1.330 1.435 0.971 0.000 -0.198 0.000 3/21600 550.0 1.309 1.412 0.954 0.000 -0.194 0.000 3/21600 560.0 1.289 1.390 0.938 0.000 -0.190 0.000 3/21600 570.0 1.269 1.368 0.922 0.000 -0.186 0.000 3/21600 580.0 1.250 1.347 0.907 0.000 -0.183 0.000 3/21600 590.0 1.232 1.327 0.892 0.000 -0.179 0.000 3/21600 600.0 1.214 1.307 0.878 0.000 -0.176 0.000 3/21600 610.0 1.197 1.288 0.864 0.000 -0.173 0.000 3/21600 620.0 1.180 1.269 0.851 0.000 -0.170 0.000 3/21600 630.0 1.164 1.251 0.838 0.000 -0.167 0.000 3/21600 640.0 1.148 1.234 0.825 0.000 -0.164 0.000 3/21600 650.0 1.133 1.217 0.813 0.000 -0.161 0.000 3/21600 660.0 1.118 1.200 0.801 0.000 -0.159 0.000 3/21600 670.0 1.103 1.184 0.789 0.000 -0.156 0.000 3/21600 680.0 1.089 1.168 0.778 0.000 -0.154 0.000 3/21600 690.0 1.075 1.153 0.767 0.000 -0.151 0.000 3/21600 700.0 1.061 1.138 0.757 0.000 -0.149 0.000 3/21600 710.0 1.048 1.124 0.747 0.000 -0.147 0.000 3/21600 720.0 1.035 1.109 0.737 0.000 -0.144 0.000 3/21600 730.0 1.023 1.096 0.727 0.000 -0.142 0.000 3/21600 740.0 1.010 1.082 0.717 0.000 -0.140 0.000 3/21600 750.0 0.998 1.069 0.708 0.000 -0.138 0.000 3/21600 760.0 0.987 1.056 0.699 0.000 -0.136 0.000 3/21600 770.0 0.975 1.043 0.690 0.000 -0.134 0.000 3/21600 780.0 0.964 1.031 0.682 0.000 -0.132 0.000 3/21600 790.0 0.953 1.019 0.674 0.000 -0.131 0.000 3/21600 800.0 0.943 1.007 0.665 0.000 -0.129 0.000 3/21600 810.0 0.932 0.996 0.657 0.000 -0.127 0.000 3/21600 820.0 0.922 0.985 0.650 0.000 -0.125 0.000 3/21600 830.0 0.912 0.974 0.642 0.000 -0.124 0.000 3/21600 840.0 0.902 0.963 0.635 0.000 -0.122 0.000 3/21600 850.0 0.892 0.953 0.627 0.000 -0.121 0.000 3/21600 860.0 0.883 0.942 0.620 0.000 -0.119 0.000 3/21600 870.0 0.874 0.932 0.613 0.000 -0.118 0.000 3/21600 880.0 0.865 0.922 0.607 0.000 -0.116 0.000 3/21600 890.0 0.856 0.913 0.600 0.000 -0.115 0.000 3/21600 900.0 0.847 0.903 0.594 0.000 -0.114 0.000 3/21600 910.0 0.839 0.894 0.587 0.000 -0.112 0.000 3/21600 920.0 0.831 0.885 0.581 0.000 -0.111 0.000 3/21600 930.0 0.822 0.876 0.575 0.000 -0.110 0.000 3/21600 940.0 0.814 0.867 0.569 0.000 -0.108 0.000 3/21600 950.0 0.807 0.859 0.563 0.000 -0.107 0.000 3/21600 960.0 0.799 0.850 0.557 0.000 -0.106 0.000 3/21600 970.0 0.791 0.842 0.552 0.000 -0.105 0.000 3/21600 980.0 0.784 0.834 0.546 0.000 -0.104 0.000 3/21600 990.0 0.777 0.826 0.541 0.000 -0.103 0.000 3/21600 1000.0 0.769 0.819 0.536 0.000 -0.102 0.000 3/21600 Thermal conductivity related properties were written into "kappa-m895.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:56:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|