----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:32:04]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.865321270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.480029780000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.987105659999999 Atomic positions (fractional): *1 O 0.98475400438573 0.37794653670084 0.77011957468684 15.999 2 O 0.48475400438573 0.12205346329916 0.72988042531316 15.999 3 O 0.51524599561427 0.62205346329916 0.27011957468684 15.999 4 O 0.01524599561427 0.87794653670084 0.22988042531316 15.999 5 O 0.01524599561427 0.62205346329916 0.22988042531316 15.999 6 O 0.51524599561427 0.87794653670084 0.27011957468684 15.999 7 O 0.48475400438573 0.37794653670084 0.72988042531316 15.999 8 O 0.98475400438573 0.12205346329916 0.77011957468684 15.999 *9 O 0.15927431795966 0.25000000000000 0.39098364438393 15.999 10 O 0.84072568204034 0.75000000000000 0.60901635561607 15.999 11 O 0.34072568204034 0.75000000000000 0.89098364438393 15.999 12 O 0.65927431795966 0.25000000000000 0.10901635561607 15.999 *13 K 0.23445789828335 0.91414543493975 0.61204544768759 39.098 14 K 0.23445789828335 0.58585456506025 0.61204544768759 39.098 15 K 0.76554210171665 0.08585456506025 0.38795455231241 39.098 16 K 0.26554210171665 0.41414543493975 0.11204544768759 39.098 17 K 0.26554210171665 0.08585456506025 0.11204544768759 39.098 18 K 0.76554210171665 0.41414543493975 0.38795455231241 39.098 19 K 0.73445789828335 0.58585456506025 0.88795455231241 39.098 20 K 0.73445789828335 0.91414543493975 0.88795455231241 39.098 *21 Zr 0.27768257908553 0.75000000000000 0.15902353130847 91.224 22 Zr 0.77768257908553 0.75000000000000 0.34097646869153 91.224 23 Zr 0.22231742091447 0.25000000000000 0.65902353130847 91.224 24 Zr 0.72231742091447 0.25000000000000 0.84097646869153 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.865321270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.480029780000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.987105659999999 Atomic positions (fractional): *1 O 0.98475400438573 0.37794653670084 0.77011957468684 15.999 > 1 2 O 0.48475400438573 0.12205346329916 0.72988042531316 15.999 > 2 3 O 0.51524599561427 0.62205346329916 0.27011957468684 15.999 > 3 4 O 0.01524599561427 0.87794653670084 0.22988042531316 15.999 > 4 5 O 0.01524599561427 0.62205346329916 0.22988042531316 15.999 > 5 6 O 0.51524599561427 0.87794653670084 0.27011957468684 15.999 > 6 7 O 0.48475400438573 0.37794653670084 0.72988042531316 15.999 > 7 8 O 0.98475400438573 0.12205346329916 0.77011957468684 15.999 > 8 *9 O 0.15927431795966 0.25000000000000 0.39098364438393 15.999 > 9 10 O 0.84072568204034 0.75000000000000 0.60901635561607 15.999 > 10 11 O 0.34072568204034 0.75000000000000 0.89098364438393 15.999 > 11 12 O 0.65927431795966 0.25000000000000 0.10901635561607 15.999 > 12 *13 K 0.23445789828335 0.91414543493975 0.61204544768759 39.098 > 13 14 K 0.23445789828335 0.58585456506025 0.61204544768759 39.098 > 14 15 K 0.76554210171665 0.08585456506025 0.38795455231241 39.098 > 15 16 K 0.26554210171665 0.41414543493975 0.11204544768759 39.098 > 16 17 K 0.26554210171665 0.08585456506025 0.11204544768759 39.098 > 17 18 K 0.76554210171665 0.41414543493975 0.38795455231241 39.098 > 18 19 K 0.73445789828335 0.58585456506025 0.88795455231241 39.098 > 19 20 K 0.73445789828335 0.91414543493975 0.88795455231241 39.098 > 20 *21 Zr 0.27768257908553 0.75000000000000 0.15902353130847 91.224 > 21 22 Zr 0.77768257908553 0.75000000000000 0.34097646869153 91.224 > 22 23 Zr 0.22231742091447 0.25000000000000 0.65902353130847 91.224 > 23 24 Zr 0.72231742091447 0.25000000000000 0.84097646869153 91.224 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.730642540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.480029780000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.974211319999998 Atomic positions (fractional): *1 O 0.49237700219286 0.37794653670084 0.38505978734342 15.999 > 1 2 O 0.99237700219286 0.37794653670084 0.38505978734342 15.999 > 1 3 O 0.49237700219286 0.37794653670084 0.88505978734342 15.999 > 1 4 O 0.99237700219286 0.37794653670084 0.88505978734342 15.999 > 1 5 O 0.24237700219287 0.12205346329916 0.36494021265658 15.999 > 2 6 O 0.74237700219287 0.12205346329916 0.36494021265658 15.999 > 2 7 O 0.24237700219287 0.12205346329916 0.86494021265658 15.999 > 2 8 O 0.74237700219287 0.12205346329916 0.86494021265658 15.999 > 2 9 O 0.25762299780714 0.62205346329916 0.13505978734342 15.999 > 3 10 O 0.75762299780714 0.62205346329916 0.13505978734342 15.999 > 3 11 O 0.25762299780714 0.62205346329916 0.63505978734342 15.999 > 3 12 O 0.75762299780714 0.62205346329916 0.63505978734342 15.999 > 3 13 O 0.00762299780714 0.87794653670084 0.11494021265658 15.999 > 4 14 O 0.50762299780714 0.87794653670084 0.11494021265658 15.999 > 4 15 O 0.00762299780714 0.87794653670084 0.61494021265658 15.999 > 4 16 O 0.50762299780714 0.87794653670084 0.61494021265658 15.999 > 4 17 O 0.00762299780714 0.62205346329916 0.11494021265658 15.999 > 5 18 O 0.50762299780714 0.62205346329916 0.11494021265658 15.999 > 5 19 O 0.00762299780714 0.62205346329916 0.61494021265658 15.999 > 5 20 O 0.50762299780714 0.62205346329916 0.61494021265658 15.999 > 5 21 O 0.25762299780714 0.87794653670084 0.13505978734342 15.999 > 6 22 O 0.75762299780714 0.87794653670084 0.13505978734342 15.999 > 6 23 O 0.25762299780714 0.87794653670084 0.63505978734342 15.999 > 6 24 O 0.75762299780714 0.87794653670084 0.63505978734342 15.999 > 6 25 O 0.24237700219287 0.37794653670084 0.36494021265658 15.999 > 7 26 O 0.74237700219287 0.37794653670084 0.36494021265658 15.999 > 7 27 O 0.24237700219287 0.37794653670084 0.86494021265658 15.999 > 7 28 O 0.74237700219287 0.37794653670084 0.86494021265658 15.999 > 7 29 O 0.49237700219286 0.12205346329916 0.38505978734342 15.999 > 8 30 O 0.99237700219286 0.12205346329916 0.38505978734342 15.999 > 8 31 O 0.49237700219286 0.12205346329916 0.88505978734342 15.999 > 8 32 O 0.99237700219286 0.12205346329916 0.88505978734342 15.999 > 8 *33 O 0.07963715897983 0.25000000000000 0.19549182219196 15.999 > 9 34 O 0.57963715897983 0.25000000000000 0.19549182219196 15.999 > 9 35 O 0.07963715897983 0.25000000000000 0.69549182219196 15.999 > 9 36 O 0.57963715897983 0.25000000000000 0.69549182219196 15.999 > 9 37 O 0.42036284102017 0.75000000000000 0.30450817780804 15.999 > 10 38 O 0.92036284102017 0.75000000000000 0.30450817780804 15.999 > 10 39 O 0.42036284102017 0.75000000000000 0.80450817780804 15.999 > 10 40 O 0.92036284102017 0.75000000000000 0.80450817780804 15.999 > 10 41 O 0.17036284102017 0.75000000000000 0.44549182219196 15.999 > 11 42 O 0.67036284102017 0.75000000000000 0.44549182219196 15.999 > 11 43 O 0.17036284102017 0.75000000000000 0.94549182219196 15.999 > 11 44 O 0.67036284102017 0.75000000000000 0.94549182219196 15.999 > 11 45 O 0.32963715897983 0.25000000000000 0.05450817780804 15.999 > 12 46 O 0.82963715897983 0.25000000000000 0.05450817780804 15.999 > 12 47 O 0.32963715897983 0.25000000000000 0.55450817780804 15.999 > 12 48 O 0.82963715897983 0.25000000000000 0.55450817780804 15.999 > 12 *49 K 0.11722894914168 0.91414543493975 0.30602272384379 39.098 > 13 50 K 0.61722894914168 0.91414543493975 0.30602272384379 39.098 > 13 51 K 0.11722894914168 0.91414543493975 0.80602272384379 39.098 > 13 52 K 0.61722894914168 0.91414543493975 0.80602272384379 39.098 > 13 53 K 0.11722894914168 0.58585456506025 0.30602272384379 39.098 > 14 54 K 0.61722894914168 0.58585456506025 0.30602272384379 39.098 > 14 55 K 0.11722894914168 0.58585456506025 0.80602272384379 39.098 > 14 56 K 0.61722894914168 0.58585456506025 0.80602272384379 39.098 > 14 57 K 0.38277105085832 0.08585456506025 0.19397727615621 39.098 > 15 58 K 0.88277105085832 0.08585456506025 0.19397727615621 39.098 > 15 59 K 0.38277105085832 0.08585456506025 0.69397727615621 39.098 > 15 60 K 0.88277105085832 0.08585456506025 0.69397727615621 39.098 > 15 61 K 0.13277105085832 0.41414543493975 0.05602272384379 39.098 > 16 62 K 0.63277105085832 0.41414543493975 0.05602272384379 39.098 > 16 63 K 0.13277105085832 0.41414543493975 0.55602272384379 39.098 > 16 64 K 0.63277105085832 0.41414543493975 0.55602272384379 39.098 > 16 65 K 0.13277105085832 0.08585456506025 0.05602272384379 39.098 > 17 66 K 0.63277105085832 0.08585456506025 0.05602272384379 39.098 > 17 67 K 0.13277105085832 0.08585456506025 0.55602272384379 39.098 > 17 68 K 0.63277105085832 0.08585456506025 0.55602272384379 39.098 > 17 69 K 0.38277105085832 0.41414543493975 0.19397727615621 39.098 > 18 70 K 0.88277105085832 0.41414543493975 0.19397727615621 39.098 > 18 71 K 0.38277105085832 0.41414543493975 0.69397727615621 39.098 > 18 72 K 0.88277105085832 0.41414543493975 0.69397727615621 39.098 > 18 73 K 0.36722894914168 0.58585456506025 0.44397727615621 39.098 > 19 74 K 0.86722894914168 0.58585456506025 0.44397727615621 39.098 > 19 75 K 0.36722894914168 0.58585456506025 0.94397727615621 39.098 > 19 76 K 0.86722894914168 0.58585456506025 0.94397727615621 39.098 > 19 77 K 0.36722894914168 0.91414543493975 0.44397727615621 39.098 > 20 78 K 0.86722894914168 0.91414543493975 0.44397727615621 39.098 > 20 79 K 0.36722894914168 0.91414543493975 0.94397727615621 39.098 > 20 80 K 0.86722894914168 0.91414543493975 0.94397727615621 39.098 > 20 *81 Zr 0.13884128954277 0.75000000000000 0.07951176565423 91.224 > 21 82 Zr 0.63884128954277 0.75000000000000 0.07951176565423 91.224 > 21 83 Zr 0.13884128954277 0.75000000000000 0.57951176565424 91.224 > 21 84 Zr 0.63884128954277 0.75000000000000 0.57951176565424 91.224 > 21 85 Zr 0.38884128954277 0.75000000000000 0.17048823434576 91.224 > 22 86 Zr 0.88884128954277 0.75000000000000 0.17048823434576 91.224 > 22 87 Zr 0.38884128954277 0.75000000000000 0.67048823434576 91.224 > 22 88 Zr 0.88884128954277 0.75000000000000 0.67048823434576 91.224 > 22 89 Zr 0.11115871045723 0.25000000000000 0.32951176565424 91.224 > 23 90 Zr 0.61115871045723 0.25000000000000 0.32951176565424 91.224 > 23 91 Zr 0.11115871045723 0.25000000000000 0.82951176565424 91.224 > 23 92 Zr 0.61115871045723 0.25000000000000 0.82951176565424 91.224 > 23 93 Zr 0.36115871045723 0.25000000000000 0.42048823434576 91.224 > 24 94 Zr 0.86115871045723 0.25000000000000 0.42048823434576 91.224 > 24 95 Zr 0.36115871045723 0.25000000000000 0.92048823434576 91.224 > 24 96 Zr 0.86115871045723 0.25000000000000 0.92048823434576 91.224 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3899068 0.0000000 0.0000000 0.0000000 2.8970719 0.0000000 0.0000000 0.0000000 3.0849203 -------------------------- Born effective charges -------------------------- 1 O -2.9778896 -0.0373278 0.8058388 -0.0132276 -2.0037752 -0.0920453 0.5066374 -0.0746040 -1.2173362 2 O -2.9778896 0.0373278 -0.8058388 0.0132276 -2.0037752 -0.0920453 -0.5066374 -0.0746040 -1.2173362 3 O -2.9778896 -0.0373278 -0.8058388 -0.0132276 -2.0037752 0.0920453 -0.5066374 0.0746040 -1.2173362 4 O -2.9778896 0.0373278 0.8058388 0.0132276 -2.0037752 0.0920453 0.5066374 0.0746040 -1.2173362 5 O -2.9778896 -0.0373278 0.8058388 -0.0132276 -2.0037752 -0.0920453 0.5066374 -0.0746040 -1.2173362 6 O -2.9778896 0.0373278 -0.8058388 0.0132276 -2.0037752 -0.0920453 -0.5066374 -0.0746040 -1.2173362 7 O -2.9778896 -0.0373278 -0.8058388 -0.0132276 -2.0037752 0.0920453 -0.5066374 0.0746040 -1.2173362 8 O -2.9778896 0.0373278 0.8058388 0.0132276 -2.0037752 0.0920453 0.5066374 0.0746040 -1.2173362 9 O -1.3030514 0.0000000 -0.1851439 0.0000000 -1.2667484 0.0000000 -0.2849696 0.0000000 -3.0380676 10 O -1.3030514 0.0000000 -0.1851439 0.0000000 -1.2667484 0.0000000 -0.2849696 0.0000000 -3.0380676 11 O -1.3030514 0.0000000 0.1851439 0.0000000 -1.2667484 0.0000000 0.2849696 0.0000000 -3.0380676 12 O -1.3030514 0.0000000 0.1851439 0.0000000 -1.2667484 0.0000000 0.2849696 0.0000000 -3.0380676 13 K 1.1001721 0.0334822 -0.0111684 0.0413453 1.2860108 0.1273616 0.0848248 0.0787190 1.2436874 14 K 1.1001721 -0.0334822 -0.0111684 -0.0413453 1.2860108 -0.1273616 0.0848248 -0.0787190 1.2436874 15 K 1.1001721 0.0334822 -0.0111684 0.0413453 1.2860108 0.1273616 0.0848248 0.0787190 1.2436874 16 K 1.1001721 -0.0334822 0.0111684 -0.0413453 1.2860108 0.1273616 -0.0848248 0.0787190 1.2436874 17 K 1.1001721 0.0334822 0.0111684 0.0413453 1.2860108 -0.1273616 -0.0848248 -0.0787190 1.2436874 18 K 1.1001721 -0.0334822 -0.0111684 -0.0413453 1.2860108 -0.1273616 0.0848248 -0.0787190 1.2436874 19 K 1.1001721 -0.0334822 0.0111684 -0.0413453 1.2860108 0.1273616 -0.0848248 0.0787190 1.2436874 20 K 1.1001721 0.0334822 0.0111684 0.0413453 1.2860108 -0.1273616 -0.0848248 -0.0787190 1.2436874 21 Zr 5.0584864 0.0000000 0.0467994 0.0000000 2.7022771 0.0000000 -0.1548428 0.0000000 2.9853651 22 Zr 5.0584864 0.0000000 -0.0467994 0.0000000 2.7022771 0.0000000 0.1548428 0.0000000 2.9853651 23 Zr 5.0584864 0.0000000 -0.0467994 0.0000000 2.7022771 0.0000000 0.1548428 0.0000000 2.9853651 24 Zr 5.0584864 0.0000000 0.0467994 0.0000000 2.7022771 0.0000000 -0.1548428 0.0000000 2.9853651 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1384 Number of blocks in projector: 1384 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1384, 1356), data: False |-- (184, 180), data: True |-- (184, 180), data: True |-- (184, 180), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.558 Solver_block: 200 / 400 - Time: 1.523 Solver_block: 300 / 400 - Time: 1.524 Solver_block: 400 / 400 - Time: 1.523 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.160 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1384 Number of blocks in projector: 1384 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1384, 1356), data: False |-- (184, 180), data: True |-- (184, 180), data: True |-- (184, 180), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:32:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:32:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.865321270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.480029780000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.987105659999999 Atomic positions (fractional): 1 O 0.98475400438573 0.37794653670084 0.77011957468684 15.999 2 O 0.48475400438573 0.12205346329916 0.72988042531316 15.999 3 O 0.51524599561427 0.62205346329916 0.27011957468684 15.999 4 O 0.01524599561427 0.87794653670084 0.22988042531316 15.999 5 O 0.01524599561427 0.62205346329916 0.22988042531316 15.999 6 O 0.51524599561427 0.87794653670084 0.27011957468684 15.999 7 O 0.48475400438573 0.37794653670084 0.72988042531316 15.999 8 O 0.98475400438573 0.12205346329916 0.77011957468684 15.999 9 O 0.15927431795966 0.25000000000000 0.39098364438393 15.999 10 O 0.84072568204034 0.75000000000000 0.60901635561607 15.999 11 O 0.34072568204034 0.75000000000000 0.89098364438393 15.999 12 O 0.65927431795966 0.25000000000000 0.10901635561607 15.999 13 K 0.23445789828335 0.91414543493975 0.61204544768759 39.098 14 K 0.23445789828335 0.58585456506025 0.61204544768759 39.098 15 K 0.76554210171665 0.08585456506025 0.38795455231241 39.098 16 K 0.26554210171665 0.41414543493975 0.11204544768759 39.098 17 K 0.26554210171665 0.08585456506025 0.11204544768759 39.098 18 K 0.76554210171665 0.41414543493975 0.38795455231241 39.098 19 K 0.73445789828335 0.58585456506025 0.88795455231241 39.098 20 K 0.73445789828335 0.91414543493975 0.88795455231241 39.098 21 Zr 0.27768257908553 0.75000000000000 0.15902353130847 91.224 22 Zr 0.77768257908553 0.75000000000000 0.34097646869153 91.224 23 Zr 0.22231742091447 0.25000000000000 0.65902353130847 91.224 24 Zr 0.72231742091447 0.25000000000000 0.84097646869153 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.730642540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.480029780000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.974211319999998 Atomic positions (fractional): 1 O 0.49237700219286 0.37794653670084 0.38505978734342 15.999 > 1 2 O 0.99237700219286 0.37794653670084 0.38505978734342 15.999 > 1 3 O 0.49237700219286 0.37794653670084 0.88505978734342 15.999 > 1 4 O 0.99237700219286 0.37794653670084 0.88505978734342 15.999 > 1 5 O 0.24237700219287 0.12205346329916 0.36494021265658 15.999 > 5 6 O 0.74237700219287 0.12205346329916 0.36494021265658 15.999 > 5 7 O 0.24237700219287 0.12205346329916 0.86494021265658 15.999 > 5 8 O 0.74237700219287 0.12205346329916 0.86494021265658 15.999 > 5 9 O 0.25762299780714 0.62205346329916 0.13505978734342 15.999 > 9 10 O 0.75762299780714 0.62205346329916 0.13505978734342 15.999 > 9 11 O 0.25762299780714 0.62205346329916 0.63505978734342 15.999 > 9 12 O 0.75762299780714 0.62205346329916 0.63505978734342 15.999 > 9 13 O 0.00762299780714 0.87794653670084 0.11494021265658 15.999 > 13 14 O 0.50762299780714 0.87794653670084 0.11494021265658 15.999 > 13 15 O 0.00762299780714 0.87794653670084 0.61494021265658 15.999 > 13 16 O 0.50762299780714 0.87794653670084 0.61494021265658 15.999 > 13 17 O 0.00762299780714 0.62205346329916 0.11494021265658 15.999 > 17 18 O 0.50762299780714 0.62205346329916 0.11494021265658 15.999 > 17 19 O 0.00762299780714 0.62205346329916 0.61494021265658 15.999 > 17 20 O 0.50762299780714 0.62205346329916 0.61494021265658 15.999 > 17 21 O 0.25762299780714 0.87794653670084 0.13505978734342 15.999 > 21 22 O 0.75762299780714 0.87794653670084 0.13505978734342 15.999 > 21 23 O 0.25762299780714 0.87794653670084 0.63505978734342 15.999 > 21 24 O 0.75762299780714 0.87794653670084 0.63505978734342 15.999 > 21 25 O 0.24237700219287 0.37794653670084 0.36494021265658 15.999 > 25 26 O 0.74237700219287 0.37794653670084 0.36494021265658 15.999 > 25 27 O 0.24237700219287 0.37794653670084 0.86494021265658 15.999 > 25 28 O 0.74237700219287 0.37794653670084 0.86494021265658 15.999 > 25 29 O 0.49237700219286 0.12205346329916 0.38505978734342 15.999 > 29 30 O 0.99237700219286 0.12205346329916 0.38505978734342 15.999 > 29 31 O 0.49237700219286 0.12205346329916 0.88505978734342 15.999 > 29 32 O 0.99237700219286 0.12205346329916 0.88505978734342 15.999 > 29 33 O 0.07963715897983 0.25000000000000 0.19549182219196 15.999 > 33 34 O 0.57963715897983 0.25000000000000 0.19549182219196 15.999 > 33 35 O 0.07963715897983 0.25000000000000 0.69549182219196 15.999 > 33 36 O 0.57963715897983 0.25000000000000 0.69549182219196 15.999 > 33 37 O 0.42036284102017 0.75000000000000 0.30450817780804 15.999 > 37 38 O 0.92036284102017 0.75000000000000 0.30450817780804 15.999 > 37 39 O 0.42036284102017 0.75000000000000 0.80450817780804 15.999 > 37 40 O 0.92036284102017 0.75000000000000 0.80450817780804 15.999 > 37 41 O 0.17036284102017 0.75000000000000 0.44549182219196 15.999 > 41 42 O 0.67036284102017 0.75000000000000 0.44549182219196 15.999 > 41 43 O 0.17036284102017 0.75000000000000 0.94549182219196 15.999 > 41 44 O 0.67036284102017 0.75000000000000 0.94549182219196 15.999 > 41 45 O 0.32963715897983 0.25000000000000 0.05450817780804 15.999 > 45 46 O 0.82963715897983 0.25000000000000 0.05450817780804 15.999 > 45 47 O 0.32963715897983 0.25000000000000 0.55450817780804 15.999 > 45 48 O 0.82963715897983 0.25000000000000 0.55450817780804 15.999 > 45 49 K 0.11722894914168 0.91414543493975 0.30602272384379 39.098 > 49 50 K 0.61722894914168 0.91414543493975 0.30602272384379 39.098 > 49 51 K 0.11722894914168 0.91414543493975 0.80602272384379 39.098 > 49 52 K 0.61722894914168 0.91414543493975 0.80602272384379 39.098 > 49 53 K 0.11722894914168 0.58585456506025 0.30602272384379 39.098 > 53 54 K 0.61722894914168 0.58585456506025 0.30602272384379 39.098 > 53 55 K 0.11722894914168 0.58585456506025 0.80602272384379 39.098 > 53 56 K 0.61722894914168 0.58585456506025 0.80602272384379 39.098 > 53 57 K 0.38277105085832 0.08585456506025 0.19397727615621 39.098 > 57 58 K 0.88277105085832 0.08585456506025 0.19397727615621 39.098 > 57 59 K 0.38277105085832 0.08585456506025 0.69397727615621 39.098 > 57 60 K 0.88277105085832 0.08585456506025 0.69397727615621 39.098 > 57 61 K 0.13277105085832 0.41414543493975 0.05602272384379 39.098 > 61 62 K 0.63277105085832 0.41414543493975 0.05602272384379 39.098 > 61 63 K 0.13277105085832 0.41414543493975 0.55602272384379 39.098 > 61 64 K 0.63277105085832 0.41414543493975 0.55602272384379 39.098 > 61 65 K 0.13277105085832 0.08585456506025 0.05602272384379 39.098 > 65 66 K 0.63277105085832 0.08585456506025 0.05602272384379 39.098 > 65 67 K 0.13277105085832 0.08585456506025 0.55602272384379 39.098 > 65 68 K 0.63277105085832 0.08585456506025 0.55602272384379 39.098 > 65 69 K 0.38277105085832 0.41414543493975 0.19397727615621 39.098 > 69 70 K 0.88277105085832 0.41414543493975 0.19397727615621 39.098 > 69 71 K 0.38277105085832 0.41414543493975 0.69397727615621 39.098 > 69 72 K 0.88277105085832 0.41414543493975 0.69397727615621 39.098 > 69 73 K 0.36722894914168 0.58585456506025 0.44397727615621 39.098 > 73 74 K 0.86722894914168 0.58585456506025 0.44397727615621 39.098 > 73 75 K 0.36722894914168 0.58585456506025 0.94397727615621 39.098 > 73 76 K 0.86722894914168 0.58585456506025 0.94397727615621 39.098 > 73 77 K 0.36722894914168 0.91414543493975 0.44397727615621 39.098 > 77 78 K 0.86722894914168 0.91414543493975 0.44397727615621 39.098 > 77 79 K 0.36722894914168 0.91414543493975 0.94397727615621 39.098 > 77 80 K 0.86722894914168 0.91414543493975 0.94397727615621 39.098 > 77 81 Zr 0.13884128954277 0.75000000000000 0.07951176565423 91.224 > 81 82 Zr 0.63884128954277 0.75000000000000 0.07951176565423 91.224 > 81 83 Zr 0.13884128954277 0.75000000000000 0.57951176565424 91.224 > 81 84 Zr 0.63884128954277 0.75000000000000 0.57951176565424 91.224 > 81 85 Zr 0.38884128954277 0.75000000000000 0.17048823434576 91.224 > 85 86 Zr 0.88884128954277 0.75000000000000 0.17048823434576 91.224 > 85 87 Zr 0.38884128954277 0.75000000000000 0.67048823434576 91.224 > 85 88 Zr 0.88884128954277 0.75000000000000 0.67048823434576 91.224 > 85 89 Zr 0.11115871045723 0.25000000000000 0.32951176565424 91.224 > 89 90 Zr 0.61115871045723 0.25000000000000 0.32951176565424 91.224 > 89 91 Zr 0.11115871045723 0.25000000000000 0.82951176565424 91.224 > 89 92 Zr 0.61115871045723 0.25000000000000 0.82951176565424 91.224 > 89 93 Zr 0.36115871045723 0.25000000000000 0.42048823434576 91.224 > 93 94 Zr 0.86115871045723 0.25000000000000 0.42048823434576 91.224 > 93 95 Zr 0.36115871045723 0.25000000000000 0.92048823434576 91.224 > 93 96 Zr 0.86115871045723 0.25000000000000 0.92048823434576 91.224 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3899068 0.0000000 0.0000000 0.0000000 2.8970719 0.0000000 0.0000000 0.0000000 3.0849203 -------------------------- Born effective charges -------------------------- 1 O -2.9778896 -0.0373278 0.8058388 -0.0132276 -2.0037752 -0.0920453 0.5066374 -0.0746040 -1.2173362 2 O -2.9778896 0.0373278 -0.8058388 0.0132276 -2.0037752 -0.0920453 -0.5066374 -0.0746040 -1.2173362 3 O -2.9778896 -0.0373278 -0.8058388 -0.0132276 -2.0037752 0.0920453 -0.5066374 0.0746040 -1.2173362 4 O -2.9778896 0.0373278 0.8058388 0.0132276 -2.0037752 0.0920453 0.5066374 0.0746040 -1.2173362 5 O -2.9778896 -0.0373278 0.8058388 -0.0132276 -2.0037752 -0.0920453 0.5066374 -0.0746040 -1.2173362 6 O -2.9778896 0.0373278 -0.8058388 0.0132276 -2.0037752 -0.0920453 -0.5066374 -0.0746040 -1.2173362 7 O -2.9778896 -0.0373278 -0.8058388 -0.0132276 -2.0037752 0.0920453 -0.5066374 0.0746040 -1.2173362 8 O -2.9778896 0.0373278 0.8058388 0.0132276 -2.0037752 0.0920453 0.5066374 0.0746040 -1.2173362 9 O -1.3030514 0.0000000 -0.1851439 0.0000000 -1.2667484 0.0000000 -0.2849696 0.0000000 -3.0380676 10 O -1.3030514 0.0000000 -0.1851439 0.0000000 -1.2667484 0.0000000 -0.2849696 0.0000000 -3.0380676 11 O -1.3030514 0.0000000 0.1851439 0.0000000 -1.2667484 0.0000000 0.2849696 0.0000000 -3.0380676 12 O -1.3030514 0.0000000 0.1851439 0.0000000 -1.2667484 0.0000000 0.2849696 0.0000000 -3.0380676 13 K 1.1001721 0.0334822 -0.0111684 0.0413453 1.2860108 0.1273616 0.0848248 0.0787190 1.2436874 14 K 1.1001721 -0.0334822 -0.0111684 -0.0413453 1.2860108 -0.1273616 0.0848248 -0.0787190 1.2436874 15 K 1.1001721 0.0334822 -0.0111684 0.0413453 1.2860108 0.1273616 0.0848248 0.0787190 1.2436874 16 K 1.1001721 -0.0334822 0.0111684 -0.0413453 1.2860108 0.1273616 -0.0848248 0.0787190 1.2436874 17 K 1.1001721 0.0334822 0.0111684 0.0413453 1.2860108 -0.1273616 -0.0848248 -0.0787190 1.2436874 18 K 1.1001721 -0.0334822 -0.0111684 -0.0413453 1.2860108 -0.1273616 0.0848248 -0.0787190 1.2436874 19 K 1.1001721 -0.0334822 0.0111684 -0.0413453 1.2860108 0.1273616 -0.0848248 0.0787190 1.2436874 20 K 1.1001721 0.0334822 0.0111684 0.0413453 1.2860108 -0.1273616 -0.0848248 -0.0787190 1.2436874 21 Zr 5.0584864 0.0000000 0.0467994 0.0000000 2.7022771 0.0000000 -0.1548428 0.0000000 2.9853651 22 Zr 5.0584864 0.0000000 -0.0467994 0.0000000 2.7022771 0.0000000 0.1548428 0.0000000 2.9853651 23 Zr 5.0584864 0.0000000 -0.0467994 0.0000000 2.7022771 0.0000000 0.1548428 0.0000000 2.9853651 24 Zr 5.0584864 0.0000000 0.0467994 0.0000000 2.7022771 0.0000000 -0.1548428 0.0000000 2.9853651 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (xzx) 0.00000004 (xzx) 0.00000004 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:32:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:32:40]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.865321270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.480029780000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.987105659999999 Atomic positions (fractional): 1 O 0.98475400438573 0.37794653670084 0.77011957468684 15.999 2 O 0.48475400438573 0.12205346329916 0.72988042531316 15.999 3 O 0.51524599561427 0.62205346329916 0.27011957468684 15.999 4 O 0.01524599561427 0.87794653670084 0.22988042531316 15.999 5 O 0.01524599561427 0.62205346329916 0.22988042531316 15.999 6 O 0.51524599561427 0.87794653670084 0.27011957468684 15.999 7 O 0.48475400438573 0.37794653670084 0.72988042531316 15.999 8 O 0.98475400438573 0.12205346329916 0.77011957468684 15.999 9 O 0.15927431795966 0.25000000000000 0.39098364438393 15.999 10 O 0.84072568204034 0.75000000000000 0.60901635561607 15.999 11 O 0.34072568204034 0.75000000000000 0.89098364438393 15.999 12 O 0.65927431795966 0.25000000000000 0.10901635561607 15.999 13 K 0.23445789828335 0.91414543493975 0.61204544768759 39.098 14 K 0.23445789828335 0.58585456506025 0.61204544768759 39.098 15 K 0.76554210171665 0.08585456506025 0.38795455231241 39.098 16 K 0.26554210171665 0.41414543493975 0.11204544768759 39.098 17 K 0.26554210171665 0.08585456506025 0.11204544768759 39.098 18 K 0.76554210171665 0.41414543493975 0.38795455231241 39.098 19 K 0.73445789828335 0.58585456506025 0.88795455231241 39.098 20 K 0.73445789828335 0.91414543493975 0.88795455231241 39.098 21 Zr 0.27768257908553 0.75000000000000 0.15902353130847 91.224 22 Zr 0.77768257908553 0.75000000000000 0.34097646869153 91.224 23 Zr 0.22231742091447 0.25000000000000 0.65902353130847 91.224 24 Zr 0.72231742091447 0.25000000000000 0.84097646869153 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.730642540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.480029780000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.974211319999998 Atomic positions (fractional): 1 O 0.49237700219286 0.37794653670084 0.38505978734342 15.999 > 1 2 O 0.99237700219286 0.37794653670084 0.38505978734342 15.999 > 1 3 O 0.49237700219286 0.37794653670084 0.88505978734342 15.999 > 1 4 O 0.99237700219286 0.37794653670084 0.88505978734342 15.999 > 1 5 O 0.24237700219287 0.12205346329916 0.36494021265658 15.999 > 5 6 O 0.74237700219287 0.12205346329916 0.36494021265658 15.999 > 5 7 O 0.24237700219287 0.12205346329916 0.86494021265658 15.999 > 5 8 O 0.74237700219287 0.12205346329916 0.86494021265658 15.999 > 5 9 O 0.25762299780714 0.62205346329916 0.13505978734342 15.999 > 9 10 O 0.75762299780714 0.62205346329916 0.13505978734342 15.999 > 9 11 O 0.25762299780714 0.62205346329916 0.63505978734342 15.999 > 9 12 O 0.75762299780714 0.62205346329916 0.63505978734342 15.999 > 9 13 O 0.00762299780714 0.87794653670084 0.11494021265658 15.999 > 13 14 O 0.50762299780714 0.87794653670084 0.11494021265658 15.999 > 13 15 O 0.00762299780714 0.87794653670084 0.61494021265658 15.999 > 13 16 O 0.50762299780714 0.87794653670084 0.61494021265658 15.999 > 13 17 O 0.00762299780714 0.62205346329916 0.11494021265658 15.999 > 17 18 O 0.50762299780714 0.62205346329916 0.11494021265658 15.999 > 17 19 O 0.00762299780714 0.62205346329916 0.61494021265658 15.999 > 17 20 O 0.50762299780714 0.62205346329916 0.61494021265658 15.999 > 17 21 O 0.25762299780714 0.87794653670084 0.13505978734342 15.999 > 21 22 O 0.75762299780714 0.87794653670084 0.13505978734342 15.999 > 21 23 O 0.25762299780714 0.87794653670084 0.63505978734342 15.999 > 21 24 O 0.75762299780714 0.87794653670084 0.63505978734342 15.999 > 21 25 O 0.24237700219287 0.37794653670084 0.36494021265658 15.999 > 25 26 O 0.74237700219287 0.37794653670084 0.36494021265658 15.999 > 25 27 O 0.24237700219287 0.37794653670084 0.86494021265658 15.999 > 25 28 O 0.74237700219287 0.37794653670084 0.86494021265658 15.999 > 25 29 O 0.49237700219286 0.12205346329916 0.38505978734342 15.999 > 29 30 O 0.99237700219286 0.12205346329916 0.38505978734342 15.999 > 29 31 O 0.49237700219286 0.12205346329916 0.88505978734342 15.999 > 29 32 O 0.99237700219286 0.12205346329916 0.88505978734342 15.999 > 29 33 O 0.07963715897983 0.25000000000000 0.19549182219196 15.999 > 33 34 O 0.57963715897983 0.25000000000000 0.19549182219196 15.999 > 33 35 O 0.07963715897983 0.25000000000000 0.69549182219196 15.999 > 33 36 O 0.57963715897983 0.25000000000000 0.69549182219196 15.999 > 33 37 O 0.42036284102017 0.75000000000000 0.30450817780804 15.999 > 37 38 O 0.92036284102017 0.75000000000000 0.30450817780804 15.999 > 37 39 O 0.42036284102017 0.75000000000000 0.80450817780804 15.999 > 37 40 O 0.92036284102017 0.75000000000000 0.80450817780804 15.999 > 37 41 O 0.17036284102017 0.75000000000000 0.44549182219196 15.999 > 41 42 O 0.67036284102017 0.75000000000000 0.44549182219196 15.999 > 41 43 O 0.17036284102017 0.75000000000000 0.94549182219196 15.999 > 41 44 O 0.67036284102017 0.75000000000000 0.94549182219196 15.999 > 41 45 O 0.32963715897983 0.25000000000000 0.05450817780804 15.999 > 45 46 O 0.82963715897983 0.25000000000000 0.05450817780804 15.999 > 45 47 O 0.32963715897983 0.25000000000000 0.55450817780804 15.999 > 45 48 O 0.82963715897983 0.25000000000000 0.55450817780804 15.999 > 45 49 K 0.11722894914168 0.91414543493975 0.30602272384379 39.098 > 49 50 K 0.61722894914168 0.91414543493975 0.30602272384379 39.098 > 49 51 K 0.11722894914168 0.91414543493975 0.80602272384379 39.098 > 49 52 K 0.61722894914168 0.91414543493975 0.80602272384379 39.098 > 49 53 K 0.11722894914168 0.58585456506025 0.30602272384379 39.098 > 53 54 K 0.61722894914168 0.58585456506025 0.30602272384379 39.098 > 53 55 K 0.11722894914168 0.58585456506025 0.80602272384379 39.098 > 53 56 K 0.61722894914168 0.58585456506025 0.80602272384379 39.098 > 53 57 K 0.38277105085832 0.08585456506025 0.19397727615621 39.098 > 57 58 K 0.88277105085832 0.08585456506025 0.19397727615621 39.098 > 57 59 K 0.38277105085832 0.08585456506025 0.69397727615621 39.098 > 57 60 K 0.88277105085832 0.08585456506025 0.69397727615621 39.098 > 57 61 K 0.13277105085832 0.41414543493975 0.05602272384379 39.098 > 61 62 K 0.63277105085832 0.41414543493975 0.05602272384379 39.098 > 61 63 K 0.13277105085832 0.41414543493975 0.55602272384379 39.098 > 61 64 K 0.63277105085832 0.41414543493975 0.55602272384379 39.098 > 61 65 K 0.13277105085832 0.08585456506025 0.05602272384379 39.098 > 65 66 K 0.63277105085832 0.08585456506025 0.05602272384379 39.098 > 65 67 K 0.13277105085832 0.08585456506025 0.55602272384379 39.098 > 65 68 K 0.63277105085832 0.08585456506025 0.55602272384379 39.098 > 65 69 K 0.38277105085832 0.41414543493975 0.19397727615621 39.098 > 69 70 K 0.88277105085832 0.41414543493975 0.19397727615621 39.098 > 69 71 K 0.38277105085832 0.41414543493975 0.69397727615621 39.098 > 69 72 K 0.88277105085832 0.41414543493975 0.69397727615621 39.098 > 69 73 K 0.36722894914168 0.58585456506025 0.44397727615621 39.098 > 73 74 K 0.86722894914168 0.58585456506025 0.44397727615621 39.098 > 73 75 K 0.36722894914168 0.58585456506025 0.94397727615621 39.098 > 73 76 K 0.86722894914168 0.58585456506025 0.94397727615621 39.098 > 73 77 K 0.36722894914168 0.91414543493975 0.44397727615621 39.098 > 77 78 K 0.86722894914168 0.91414543493975 0.44397727615621 39.098 > 77 79 K 0.36722894914168 0.91414543493975 0.94397727615621 39.098 > 77 80 K 0.86722894914168 0.91414543493975 0.94397727615621 39.098 > 77 81 Zr 0.13884128954277 0.75000000000000 0.07951176565423 91.224 > 81 82 Zr 0.63884128954277 0.75000000000000 0.07951176565423 91.224 > 81 83 Zr 0.13884128954277 0.75000000000000 0.57951176565424 91.224 > 81 84 Zr 0.63884128954277 0.75000000000000 0.57951176565424 91.224 > 81 85 Zr 0.38884128954277 0.75000000000000 0.17048823434576 91.224 > 85 86 Zr 0.88884128954277 0.75000000000000 0.17048823434576 91.224 > 85 87 Zr 0.38884128954277 0.75000000000000 0.67048823434576 91.224 > 85 88 Zr 0.88884128954277 0.75000000000000 0.67048823434576 91.224 > 85 89 Zr 0.11115871045723 0.25000000000000 0.32951176565424 91.224 > 89 90 Zr 0.61115871045723 0.25000000000000 0.32951176565424 91.224 > 89 91 Zr 0.11115871045723 0.25000000000000 0.82951176565424 91.224 > 89 92 Zr 0.61115871045723 0.25000000000000 0.82951176565424 91.224 > 89 93 Zr 0.36115871045723 0.25000000000000 0.42048823434576 91.224 > 93 94 Zr 0.86115871045723 0.25000000000000 0.42048823434576 91.224 > 93 95 Zr 0.36115871045723 0.25000000000000 0.92048823434576 91.224 > 93 96 Zr 0.86115871045723 0.25000000000000 0.92048823434576 91.224 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3899068 0.0000000 0.0000000 0.0000000 2.8970719 0.0000000 0.0000000 0.0000000 3.0849203 -------------------------- Born effective charges -------------------------- 1 O -2.9778896 -0.0373278 0.8058388 -0.0132276 -2.0037752 -0.0920453 0.5066374 -0.0746040 -1.2173362 2 O -2.9778896 0.0373278 -0.8058388 0.0132276 -2.0037752 -0.0920453 -0.5066374 -0.0746040 -1.2173362 3 O -2.9778896 -0.0373278 -0.8058388 -0.0132276 -2.0037752 0.0920453 -0.5066374 0.0746040 -1.2173362 4 O -2.9778896 0.0373278 0.8058388 0.0132276 -2.0037752 0.0920453 0.5066374 0.0746040 -1.2173362 5 O -2.9778896 -0.0373278 0.8058388 -0.0132276 -2.0037752 -0.0920453 0.5066374 -0.0746040 -1.2173362 6 O -2.9778896 0.0373278 -0.8058388 0.0132276 -2.0037752 -0.0920453 -0.5066374 -0.0746040 -1.2173362 7 O -2.9778896 -0.0373278 -0.8058388 -0.0132276 -2.0037752 0.0920453 -0.5066374 0.0746040 -1.2173362 8 O -2.9778896 0.0373278 0.8058388 0.0132276 -2.0037752 0.0920453 0.5066374 0.0746040 -1.2173362 9 O -1.3030514 0.0000000 -0.1851439 0.0000000 -1.2667484 0.0000000 -0.2849696 0.0000000 -3.0380676 10 O -1.3030514 0.0000000 -0.1851439 0.0000000 -1.2667484 0.0000000 -0.2849696 0.0000000 -3.0380676 11 O -1.3030514 0.0000000 0.1851439 0.0000000 -1.2667484 0.0000000 0.2849696 0.0000000 -3.0380676 12 O -1.3030514 0.0000000 0.1851439 0.0000000 -1.2667484 0.0000000 0.2849696 0.0000000 -3.0380676 13 K 1.1001721 0.0334822 -0.0111684 0.0413453 1.2860108 0.1273616 0.0848248 0.0787190 1.2436874 14 K 1.1001721 -0.0334822 -0.0111684 -0.0413453 1.2860108 -0.1273616 0.0848248 -0.0787190 1.2436874 15 K 1.1001721 0.0334822 -0.0111684 0.0413453 1.2860108 0.1273616 0.0848248 0.0787190 1.2436874 16 K 1.1001721 -0.0334822 0.0111684 -0.0413453 1.2860108 0.1273616 -0.0848248 0.0787190 1.2436874 17 K 1.1001721 0.0334822 0.0111684 0.0413453 1.2860108 -0.1273616 -0.0848248 -0.0787190 1.2436874 18 K 1.1001721 -0.0334822 -0.0111684 -0.0413453 1.2860108 -0.1273616 0.0848248 -0.0787190 1.2436874 19 K 1.1001721 -0.0334822 0.0111684 -0.0413453 1.2860108 0.1273616 -0.0848248 0.0787190 1.2436874 20 K 1.1001721 0.0334822 0.0111684 0.0413453 1.2860108 -0.1273616 -0.0848248 -0.0787190 1.2436874 21 Zr 5.0584864 0.0000000 0.0467994 0.0000000 2.7022771 0.0000000 -0.1548428 0.0000000 2.9853651 22 Zr 5.0584864 0.0000000 -0.0467994 0.0000000 2.7022771 0.0000000 0.1548428 0.0000000 2.9853651 23 Zr 5.0584864 0.0000000 -0.0467994 0.0000000 2.7022771 0.0000000 0.1548428 0.0000000 2.9853651 24 Zr 5.0584864 0.0000000 0.0467994 0.0000000 2.7022771 0.0000000 -0.1548428 0.0000000 2.9853651 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xzx) 0.00000004 (xzx) 0.00000004 (xxz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 5 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 303, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 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 1.778 ( 0.000 0.000 0.000) 0.000 1.929 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.714 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 4.031 ( 0.000 0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 0.000 0.000) 0.000 4.267 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.685 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.460 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 5.990 ( 0.000 0.000 0.000) 0.000 6.223 ( 0.000 0.000 0.000) 0.000 6.595 ( 0.000 0.000 0.000) 0.000 6.634 ( 0.000 0.000 0.000) 0.000 7.434 ( 0.000 0.000 0.000) 0.000 7.467 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.345 ( 0.000 0.000 0.000) 0.000 8.453 ( 0.000 0.000 0.000) 0.000 8.564 ( 0.000 0.000 0.000) 0.000 9.817 ( 0.000 0.000 0.000) 0.000 9.996 ( 0.000 0.000 0.000) 0.000 10.087 ( 0.000 0.000 0.000) 0.000 10.304 ( 0.000 0.000 0.000) 0.000 11.034 ( 0.000 0.000 0.000) 0.000 11.036 ( 0.000 0.000 0.000) 0.000 12.195 ( 0.000 0.000 0.000) 0.000 12.441 ( 0.000 0.000 0.000) 0.000 12.863 ( 0.000 0.000 0.000) 0.000 12.905 ( 0.000 0.000 0.000) 0.000 14.039 ( 0.000 0.000 0.000) 0.000 14.159 ( 0.000 0.000 0.000) 0.000 14.573 ( 0.000 0.000 0.000) 0.000 15.252 ( 0.000 0.000 0.000) 0.000 15.434 ( 0.000 0.000 0.000) 0.000 16.603 ( 0.000 0.000 0.000) 0.000 16.772 ( 0.000 0.000 0.000) 0.000 17.435 ( 0.000 0.000 0.000) 0.000 18.065 ( 0.000 0.000 0.000) 0.000 18.177 ( 0.000 0.000 0.000) 0.000 20.754 ( 0.000 0.000 0.000) 0.000 20.807 ( 0.000 0.000 0.000) 0.000 21.670 ( 0.000 0.000 0.000) 0.000 21.907 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 21.368 0.000 0.000) 21.368 0.551 ( 28.969 0.000 0.000) 28.969 1.205 ( 56.864 0.000 0.000) 56.864 1.981 ( 5.382 0.000 0.000) 5.382 2.005 ( 3.358 0.000 0.000) 3.358 2.100 ( 2.133 0.000 0.000) 2.133 2.130 ( 29.006 0.000 0.000) 29.006 2.396 ( -4.798 0.000 0.000) 4.798 2.695 ( -2.761 0.000 0.000) 2.761 2.801 ( -4.060 0.000 0.000) 4.060 2.802 ( -1.566 0.000 0.000) 1.566 3.138 ( -2.725 0.000 0.000) 2.725 3.171 ( 6.703 0.000 0.000) 6.703 3.398 ( 1.218 0.000 0.000) 1.218 3.439 ( 21.364 0.000 0.000) 21.364 3.525 ( -10.952 0.000 0.000) 10.952 3.526 ( 1.912 0.000 0.000) 1.912 3.612 ( 11.520 0.000 0.000) 11.520 3.711 ( 15.079 0.000 0.000) 15.079 3.738 ( 2.311 0.000 0.000) 2.311 3.791 ( -4.234 0.000 0.000) 4.234 3.923 ( 13.437 0.000 0.000) 13.437 4.074 ( 2.219 0.000 0.000) 2.219 4.098 ( -4.385 0.000 0.000) 4.385 4.171 ( -0.839 0.000 0.000) 0.839 4.261 ( -0.779 0.000 0.000) 0.779 4.268 ( -0.298 0.000 0.000) 0.298 4.489 ( 12.192 0.000 0.000) 12.192 4.498 ( -2.676 0.000 0.000) 2.676 4.531 ( -1.406 0.000 0.000) 1.406 4.675 ( -0.673 0.000 0.000) 0.673 4.832 ( -1.926 0.000 0.000) 1.926 4.844 ( 3.836 0.000 0.000) 3.836 5.041 ( 0.096 0.000 0.000) 0.096 5.097 ( -1.994 0.000 0.000) 1.994 5.375 ( 2.269 0.000 0.000) 2.269 5.513 ( 4.809 0.000 0.000) 4.809 5.550 ( -8.859 0.000 0.000) 8.859 5.934 ( -5.106 0.000 0.000) 5.106 6.118 ( -8.703 0.000 0.000) 8.703 6.551 ( -4.542 0.000 0.000) 4.542 6.610 ( -2.505 0.000 0.000) 2.505 7.433 ( 0.022 0.000 0.000) 0.022 7.478 ( 1.292 0.000 0.000) 1.292 8.131 ( -5.425 0.000 0.000) 5.425 8.541 ( -2.578 0.000 0.000) 2.578 8.599 ( 14.417 0.000 0.000) 14.417 8.676 ( 20.719 0.000 0.000) 20.719 9.536 ( -24.961 0.000 0.000) 24.961 9.627 ( -26.776 0.000 0.000) 26.776 10.254 ( 6.391 0.000 0.000) 6.391 10.433 ( 8.205 0.000 0.000) 8.205 11.598 ( 55.183 0.000 0.000) 55.183 12.240 ( 4.668 0.000 0.000) 4.668 12.525 ( 8.537 0.000 0.000) 8.537 12.821 ( -2.277 0.000 0.000) 2.277 12.948 ( 2.222 0.000 0.000) 2.222 13.983 ( -5.140 0.000 0.000) 5.140 14.143 ( -1.863 0.000 0.000) 1.863 14.526 ( -4.912 0.000 0.000) 4.912 15.283 ( 3.134 0.000 0.000) 3.134 15.498 ( 6.588 0.000 0.000) 6.588 16.479 ( -12.916 0.000 0.000) 12.916 16.744 ( -2.857 0.000 0.000) 2.857 17.364 ( -7.030 0.000 0.000) 7.030 17.666 ( 1.287 0.000 0.000) 1.287 18.027 ( -4.015 0.000 0.000) 4.015 18.159 ( -2.019 0.000 0.000) 2.019 20.779 ( 2.709 0.000 0.000) 2.709 20.854 ( 4.619 0.000 0.000) 4.619 21.643 ( -2.894 0.000 0.000) 2.894 21.958 ( -4.467 0.000 0.000) 4.467 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 21.506 0.000 0.000) 21.506 1.093 ( 28.028 0.000 0.000) 28.028 1.958 ( 19.882 0.000 0.000) 19.882 2.087 ( 4.393 0.000 0.000) 4.393 2.123 ( 9.233 0.000 0.000) 9.233 2.172 ( 5.681 0.000 0.000) 5.681 2.281 ( -6.293 0.000 0.000) 6.293 2.513 ( 7.299 0.000 0.000) 7.299 2.599 ( -5.524 0.000 0.000) 5.524 2.874 ( 7.476 0.000 0.000) 7.476 2.969 ( 23.963 0.000 0.000) 23.963 3.057 ( -5.905 0.000 0.000) 5.905 3.281 ( -13.408 0.000 0.000) 13.408 3.365 ( -4.212 0.000 0.000) 4.212 3.476 ( 20.773 0.000 0.000) 20.773 3.550 ( 0.130 0.000 0.000) 0.130 3.698 ( -5.811 0.000 0.000) 5.811 3.755 ( 2.484 0.000 0.000) 2.484 3.760 ( -2.655 0.000 0.000) 2.655 3.894 ( 17.972 0.000 0.000) 17.972 3.918 ( 9.751 0.000 0.000) 9.751 4.033 ( -0.108 0.000 0.000) 0.108 4.086 ( -0.689 0.000 0.000) 0.689 4.147 ( 1.879 0.000 0.000) 1.879 4.248 ( -1.713 0.000 0.000) 1.713 4.370 ( 17.869 0.000 0.000) 17.869 4.430 ( 29.626 0.000 0.000) 29.626 4.491 ( 8.275 0.000 0.000) 8.275 4.495 ( -2.410 0.000 0.000) 2.410 4.666 ( -0.226 0.000 0.000) 0.226 4.724 ( 10.229 0.000 0.000) 10.229 4.799 ( -1.252 0.000 0.000) 1.252 4.923 ( 3.967 0.000 0.000) 3.967 5.048 ( -2.599 0.000 0.000) 2.599 5.075 ( 5.061 0.000 0.000) 5.061 5.382 ( -6.874 0.000 0.000) 6.874 5.431 ( 3.206 0.000 0.000) 3.206 5.609 ( 4.573 0.000 0.000) 4.573 5.841 ( -3.047 0.000 0.000) 3.047 6.019 ( -0.031 0.000 0.000) 0.031 6.427 ( -8.330 0.000 0.000) 8.330 6.537 ( -5.315 0.000 0.000) 5.315 7.440 ( 0.920 0.000 0.000) 0.920 7.528 ( 4.409 0.000 0.000) 4.409 8.001 ( -7.812 0.000 0.000) 7.812 8.460 ( -6.056 0.000 0.000) 6.056 8.948 ( 21.081 0.000 0.000) 21.081 8.954 ( -35.728 0.000 0.000) 35.728 9.031 ( -35.868 0.000 0.000) 35.868 9.148 ( 26.978 0.000 0.000) 26.978 10.304 ( -0.980 0.000 0.000) 0.980 10.533 ( 1.913 0.000 0.000) 1.913 12.362 ( 7.872 0.000 0.000) 7.872 12.740 ( 13.046 0.000 0.000) 13.046 12.798 ( 0.109 0.000 0.000) 0.109 12.890 ( 75.012 0.000 0.000) 75.012 12.963 ( -0.870 0.000 0.000) 0.870 13.879 ( -4.854 0.000 0.000) 4.854 14.097 ( -2.139 0.000 0.000) 2.139 14.393 ( -8.846 0.000 0.000) 8.846 15.363 ( 5.090 0.000 0.000) 5.090 15.671 ( 11.249 0.000 0.000) 11.249 16.127 ( -23.736 0.000 0.000) 23.736 16.666 ( -5.292 0.000 0.000) 5.292 17.187 ( -10.847 0.000 0.000) 10.847 17.704 ( 2.659 0.000 0.000) 2.659 17.907 ( -9.107 0.000 0.000) 9.107 18.101 ( -3.960 0.000 0.000) 3.960 20.858 ( 5.561 0.000 0.000) 5.561 20.970 ( 7.346 0.000 0.000) 7.346 21.563 ( -5.386 0.000 0.000) 5.386 21.839 ( -7.933 0.000 0.000) 7.933 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 20.639 0.000 0.000) 20.639 1.598 ( 24.555 0.000 0.000) 24.555 2.052 ( -8.515 0.000 0.000) 8.515 2.118 ( 2.132 0.000 0.000) 2.132 2.274 ( 5.634 0.000 0.000) 5.634 2.311 ( 8.122 0.000 0.000) 8.122 2.312 ( 9.988 0.000 0.000) 9.988 2.523 ( -1.544 0.000 0.000) 1.544 2.573 ( 1.441 0.000 0.000) 1.441 2.917 ( -8.681 0.000 0.000) 8.681 3.036 ( 8.360 0.000 0.000) 8.360 3.063 ( -8.335 0.000 0.000) 8.335 3.289 ( -2.181 0.000 0.000) 2.181 3.415 ( 16.735 0.000 0.000) 16.735 3.513 ( -5.122 0.000 0.000) 5.122 3.544 ( -12.421 0.000 0.000) 12.421 3.580 ( -6.010 0.000 0.000) 6.010 3.613 ( -10.115 0.000 0.000) 10.115 3.788 ( 0.382 0.000 0.000) 0.382 4.043 ( 6.751 0.000 0.000) 6.751 4.052 ( 3.863 0.000 0.000) 3.863 4.055 ( -2.688 0.000 0.000) 2.688 4.105 ( 4.996 0.000 0.000) 4.996 4.212 ( 4.962 0.000 0.000) 4.962 4.216 ( -0.749 0.000 0.000) 0.749 4.437 ( -3.802 0.000 0.000) 3.802 4.669 ( 0.604 0.000 0.000) 0.604 4.735 ( 8.460 0.000 0.000) 8.460 4.785 ( -0.367 0.000 0.000) 0.367 4.808 ( 0.839 0.000 0.000) 0.839 4.972 ( 24.612 0.000 0.000) 24.612 4.983 ( 2.275 0.000 0.000) 2.275 4.994 ( 13.962 0.000 0.000) 13.962 5.129 ( 34.302 0.000 0.000) 34.302 5.261 ( 12.691 0.000 0.000) 12.691 5.432 ( 17.464 0.000 0.000) 17.464 5.481 ( 1.688 0.000 0.000) 1.688 5.664 ( 0.898 0.000 0.000) 0.898 5.893 ( 10.864 0.000 0.000) 10.864 6.127 ( 12.052 0.000 0.000) 12.052 6.242 ( -10.987 0.000 0.000) 10.987 6.409 ( -8.191 0.000 0.000) 8.191 7.477 ( 3.176 0.000 0.000) 3.176 7.655 ( 9.100 0.000 0.000) 9.100 7.848 ( -8.127 0.000 0.000) 8.127 8.200 ( -43.646 0.000 0.000) 43.646 8.279 ( -43.090 0.000 0.000) 43.090 8.312 ( -9.541 0.000 0.000) 9.541 9.356 ( 21.252 0.000 0.000) 21.252 9.644 ( 24.531 0.000 0.000) 24.531 10.223 ( -7.420 0.000 0.000) 7.420 10.503 ( -4.985 0.000 0.000) 4.985 12.524 ( 8.756 0.000 0.000) 8.756 12.826 ( 2.687 0.000 0.000) 2.687 12.915 ( -3.885 0.000 0.000) 3.885 12.950 ( 7.099 0.000 0.000) 7.099 13.831 ( -0.032 0.000 0.000) 0.032 14.129 ( 8.074 0.000 0.000) 8.074 14.204 ( -10.740 0.000 0.000) 10.740 14.245 ( 63.796 0.000 0.000) 63.796 15.459 ( 4.366 0.000 0.000) 4.366 15.605 ( -30.512 0.000 0.000) 30.512 15.908 ( 13.340 0.000 0.000) 13.340 16.548 ( -7.128 0.000 0.000) 7.128 16.996 ( -7.753 0.000 0.000) 7.753 17.666 ( -16.530 0.000 0.000) 16.530 17.765 ( 3.719 0.000 0.000) 3.719 18.017 ( -4.648 0.000 0.000) 4.648 20.984 ( 7.573 0.000 0.000) 7.573 21.123 ( 8.633 0.000 0.000) 8.633 21.443 ( -7.171 0.000 0.000) 7.171 21.668 ( -9.783 0.000 0.000) 9.783 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 16.973 0.000 0.000) 16.973 1.850 ( -12.422 0.000 0.000) 12.422 1.978 ( 14.077 0.000 0.000) 14.077 2.118 ( -2.255 0.000 0.000) 2.255 2.382 ( 4.385 0.000 0.000) 4.385 2.411 ( 1.517 0.000 0.000) 1.517 2.476 ( 6.990 0.000 0.000) 6.990 2.570 ( -2.430 0.000 0.000) 2.430 2.582 ( 7.260 0.000 0.000) 7.260 2.742 ( -9.252 0.000 0.000) 9.252 3.019 ( 4.726 0.000 0.000) 4.726 3.155 ( 5.670 0.000 0.000) 5.670 3.228 ( -15.738 0.000 0.000) 15.738 3.324 ( -11.791 0.000 0.000) 11.791 3.338 ( 6.594 0.000 0.000) 6.594 3.469 ( -6.517 0.000 0.000) 6.517 3.502 ( -1.309 0.000 0.000) 1.309 3.541 ( -3.748 0.000 0.000) 3.748 3.836 ( 8.064 0.000 0.000) 8.064 3.977 ( -5.803 0.000 0.000) 5.803 4.098 ( 1.834 0.000 0.000) 1.834 4.130 ( -1.357 0.000 0.000) 1.357 4.213 ( 8.670 0.000 0.000) 8.670 4.259 ( 3.471 0.000 0.000) 3.471 4.283 ( 1.453 0.000 0.000) 1.453 4.348 ( -5.723 0.000 0.000) 5.723 4.692 ( 1.859 0.000 0.000) 1.859 4.739 ( -2.838 0.000 0.000) 2.838 4.783 ( 0.208 0.000 0.000) 0.208 4.795 ( -1.055 0.000 0.000) 1.055 5.012 ( 1.070 0.000 0.000) 1.070 5.030 ( -0.788 0.000 0.000) 0.788 5.336 ( 12.963 0.000 0.000) 12.963 5.476 ( -2.879 0.000 0.000) 2.879 5.484 ( 10.132 0.000 0.000) 10.132 5.630 ( -4.811 0.000 0.000) 4.811 5.760 ( 16.693 0.000 0.000) 16.693 5.915 ( 25.057 0.000 0.000) 25.057 6.019 ( -12.464 0.000 0.000) 12.464 6.224 ( -11.578 0.000 0.000) 11.578 6.387 ( 42.678 0.000 0.000) 42.678 6.586 ( 38.326 0.000 0.000) 38.326 7.310 ( -49.745 0.000 0.000) 49.745 7.423 ( -46.371 0.000 0.000) 46.371 7.565 ( 6.026 0.000 0.000) 6.026 7.697 ( -7.688 0.000 0.000) 7.688 7.864 ( 12.442 0.000 0.000) 12.442 8.103 ( -12.216 0.000 0.000) 12.216 9.731 ( 17.971 0.000 0.000) 17.971 10.027 ( -13.096 0.000 0.000) 13.096 10.056 ( 18.625 0.000 0.000) 18.625 10.344 ( -11.807 0.000 0.000) 11.807 12.681 ( 7.639 0.000 0.000) 7.639 12.810 ( -5.841 0.000 0.000) 5.841 12.908 ( 4.407 0.000 0.000) 4.407 12.985 ( -2.466 0.000 0.000) 2.466 13.872 ( 4.575 0.000 0.000) 4.575 14.007 ( -9.345 0.000 0.000) 9.345 14.453 ( 25.015 0.000 0.000) 25.015 15.006 ( -31.690 0.000 0.000) 31.690 15.175 ( 32.038 0.000 0.000) 32.038 15.483 ( -4.043 0.000 0.000) 4.043 16.162 ( 13.052 0.000 0.000) 13.052 16.387 ( -10.275 0.000 0.000) 10.275 16.982 ( 8.539 0.000 0.000) 8.539 17.296 ( -21.087 0.000 0.000) 21.087 17.842 ( 4.382 0.000 0.000) 4.382 17.928 ( -4.670 0.000 0.000) 4.670 21.137 ( 8.436 0.000 0.000) 8.436 21.294 ( 9.394 0.000 0.000) 9.394 21.296 ( -8.203 0.000 0.000) 8.203 21.478 ( -10.029 0.000 0.000) 10.029 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 0.000 21.106 0.000) 21.106 0.449 ( 0.000 23.700 0.000) 23.700 0.968 ( 0.000 47.604 0.000) 47.604 1.578 ( 0.000 -13.577 0.000) 13.577 1.736 ( 0.000 -16.399 0.000) 16.399 2.052 ( 0.000 5.682 0.000) 5.682 2.265 ( 0.000 12.619 0.000) 12.619 2.414 ( 0.000 -3.238 0.000) 3.238 2.715 ( 0.000 -0.916 0.000) 0.916 2.862 ( 0.000 -0.711 0.000) 0.711 2.904 ( 0.000 -0.908 0.000) 0.908 2.997 ( 0.000 8.078 0.000) 8.078 3.182 ( 0.000 0.078 0.000) 0.078 3.229 ( 0.000 5.788 0.000) 5.788 3.257 ( 0.000 -2.522 0.000) 2.522 3.360 ( 0.000 -1.008 0.000) 1.008 3.481 ( 0.000 0.363 0.000) 0.363 3.501 ( 0.000 -0.991 0.000) 0.991 3.651 ( 0.000 2.316 0.000) 2.316 3.677 ( 0.000 -14.034 0.000) 14.034 3.770 ( 0.000 5.454 0.000) 5.454 3.877 ( 0.000 2.589 0.000) 2.589 4.001 ( 0.000 -3.165 0.000) 3.165 4.150 ( 0.000 0.359 0.000) 0.359 4.160 ( 0.000 -6.169 0.000) 6.169 4.277 ( 0.000 0.648 0.000) 0.648 4.298 ( 0.000 1.109 0.000) 1.109 4.311 ( 0.000 -1.506 0.000) 1.506 4.486 ( 0.000 1.362 0.000) 1.362 4.557 ( 0.000 0.330 0.000) 0.330 4.658 ( 0.000 -1.403 0.000) 1.403 4.689 ( 0.000 -9.324 0.000) 9.324 4.840 ( 0.000 -2.116 0.000) 2.116 4.960 ( 0.000 -14.410 0.000) 14.410 5.417 ( 0.000 5.153 0.000) 5.153 5.487 ( 0.000 2.315 0.000) 2.315 5.778 ( 0.000 11.499 0.000) 11.499 6.012 ( 0.000 2.234 0.000) 2.234 6.173 ( 0.000 1.331 0.000) 1.331 6.204 ( 0.000 -1.931 0.000) 1.931 6.598 ( 0.000 0.317 0.000) 0.317 6.629 ( 0.000 -0.424 0.000) 0.424 7.503 ( 0.000 3.658 0.000) 3.658 7.811 ( 0.000 -3.773 0.000) 3.773 8.200 ( 0.000 1.606 0.000) 1.606 8.358 ( 0.000 1.313 0.000) 1.313 8.446 ( 0.000 -0.758 0.000) 0.758 8.501 ( 0.000 -5.992 0.000) 5.992 9.843 ( 0.000 2.405 0.000) 2.405 9.983 ( 0.000 -1.362 0.000) 1.362 10.115 ( 0.000 2.685 0.000) 2.685 10.289 ( 0.000 -1.549 0.000) 1.549 11.034 ( 0.000 0.012 0.000) 0.012 11.035 ( 0.000 -0.022 0.000) 0.022 12.220 ( 0.000 2.507 0.000) 2.507 12.419 ( 0.000 -2.285 0.000) 2.285 12.901 ( 0.000 0.045 0.000) 0.045 12.905 ( 0.000 -0.043 0.000) 0.043 14.053 ( 0.000 1.410 0.000) 1.410 14.151 ( 0.000 -0.912 0.000) 0.912 15.270 ( 0.000 1.811 0.000) 1.811 15.417 ( 0.000 -1.721 0.000) 1.721 16.616 ( 0.000 1.422 0.000) 1.422 16.753 ( 0.000 -1.890 0.000) 1.890 17.379 ( 0.000 0.925 0.000) 0.925 17.431 ( 0.000 -0.371 0.000) 0.371 18.074 ( 0.000 0.933 0.000) 0.933 18.165 ( 0.000 -1.225 0.000) 1.225 20.758 ( 0.000 0.427 0.000) 0.427 20.801 ( 0.000 -0.595 0.000) 0.595 21.692 ( 0.000 2.217 0.000) 2.217 21.883 ( 0.000 -2.351 0.000) 2.351 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 22.187 14.662 0.000) 26.593 0.966 ( 15.053 34.026 0.000) 37.207 1.324 ( 45.283 16.288 0.000) 48.123 1.798 ( 6.314 -15.342 0.000) 16.591 1.853 ( 20.795 -12.843 0.000) 24.441 2.080 ( 2.898 5.251 0.000) 5.997 2.363 ( 10.909 12.021 0.000) 16.234 2.382 ( -3.161 -1.792 0.000) 3.634 2.694 ( -3.394 -0.274 0.000) 3.405 2.800 ( -3.265 0.045 0.000) 3.266 2.926 ( 0.357 9.974 0.000) 9.980 3.060 ( 10.005 -8.798 0.000) 13.323 3.197 ( -3.206 5.233 0.000) 6.137 3.330 ( 1.836 -9.149 0.000) 9.332 3.400 ( 18.142 -1.513 0.000) 18.205 3.474 ( -5.429 -3.186 0.000) 6.295 3.527 ( 17.039 -2.438 0.000) 17.212 3.586 ( -3.628 3.995 0.000) 5.396 3.664 ( 12.036 -4.972 0.000) 13.022 3.764 ( -1.662 3.890 0.000) 4.230 3.835 ( -2.256 2.831 0.000) 3.620 3.849 ( 19.246 -4.942 0.000) 19.870 4.030 ( 0.747 -3.037 0.000) 3.128 4.100 ( -0.680 -5.725 0.000) 5.766 4.124 ( -1.367 1.460 0.000) 2.000 4.283 ( 0.308 1.748 0.000) 1.775 4.287 ( 0.197 1.524 0.000) 1.536 4.460 ( 0.966 -2.084 0.000) 2.297 4.516 ( 11.574 1.270 0.000) 11.643 4.530 ( -2.472 -0.793 0.000) 2.596 4.623 ( -1.921 -5.196 0.000) 5.539 4.746 ( 3.604 -5.512 0.000) 6.585 4.831 ( -0.172 -1.837 0.000) 1.845 4.910 ( -3.978 -12.109 0.000) 12.746 5.442 ( 2.586 5.457 0.000) 6.038 5.516 ( -25.132 24.998 0.000) 35.448 5.536 ( 4.496 1.964 0.000) 4.906 5.656 ( -11.498 9.007 0.000) 14.606 5.959 ( -5.071 2.441 0.000) 5.628 6.104 ( -8.493 -1.397 0.000) 8.607 6.556 ( -4.351 0.514 0.000) 4.381 6.604 ( -2.701 -0.627 0.000) 2.773 7.502 ( -0.008 2.618 0.000) 2.618 7.508 ( -4.892 5.450 0.000) 7.323 8.149 ( -5.080 1.984 0.000) 5.454 8.475 ( -2.866 -6.279 0.000) 6.902 8.597 ( 15.880 -0.034 0.000) 15.880 8.660 ( 20.644 -1.464 0.000) 20.696 9.558 ( -25.037 1.961 0.000) 25.114 9.629 ( -26.547 0.114 0.000) 26.547 10.270 ( 6.504 1.706 0.000) 6.724 10.416 ( 7.859 -1.729 0.000) 8.047 11.632 ( 57.616 3.913 0.000) 57.748 12.269 ( 5.039 2.885 0.000) 5.806 12.499 ( 8.157 -2.646 0.000) 8.576 12.757 ( 11.385 -12.577 0.000) 16.964 12.943 ( 2.896 -0.521 0.000) 2.942 13.390 ( 76.450 -65.534 0.000) 100.694 14.002 ( -4.778 1.830 0.000) 5.117 14.131 ( -2.126 -1.254 0.000) 2.468 15.304 ( 3.538 2.192 0.000) 4.162 15.479 ( 6.329 -1.990 0.000) 6.634 16.501 ( -12.048 2.317 0.000) 12.269 16.734 ( -2.343 -2.427 0.000) 3.374 17.356 ( -7.297 -0.863 0.000) 7.348 17.388 ( 1.278 -10.607 0.000) 10.684 18.038 ( -3.855 1.104 0.000) 4.010 18.144 ( -2.242 -1.432 0.000) 2.660 20.785 ( 2.879 0.631 0.000) 2.947 20.845 ( 4.425 -0.822 0.000) 4.501 21.661 ( -3.062 2.069 0.000) 3.695 21.883 ( -2.015 -4.771 0.000) 5.179 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 25.556 8.052 0.000) 26.794 1.207 ( 13.406 33.081 0.000) 35.694 1.963 ( 10.591 -12.809 0.000) 16.620 1.991 ( 18.789 3.857 0.000) 19.181 2.136 ( 10.566 -4.094 0.000) 11.331 2.144 ( 2.646 4.046 0.000) 4.834 2.310 ( -3.292 1.396 0.000) 3.576 2.511 ( 0.953 0.641 0.000) 1.149 2.606 ( -4.126 0.026 0.000) 4.126 2.991 ( 11.225 9.904 0.000) 14.970 3.021 ( 20.568 6.961 0.000) 21.714 3.112 ( -5.713 4.985 0.000) 7.583 3.221 ( -0.945 -15.191 0.000) 15.220 3.281 ( -12.148 0.124 0.000) 12.149 3.472 ( 18.538 -1.099 0.000) 18.570 3.560 ( -1.277 -1.322 0.000) 1.838 3.688 ( -6.180 1.298 0.000) 6.315 3.695 ( 5.549 -4.094 0.000) 6.895 3.771 ( -5.414 1.346 0.000) 5.578 3.808 ( 9.512 -6.338 0.000) 11.431 3.933 ( 15.461 -0.648 0.000) 15.474 4.061 ( 3.812 2.508 0.000) 4.563 4.099 ( 6.461 -3.112 0.000) 7.171 4.102 ( -1.688 1.513 0.000) 2.266 4.267 ( -2.257 1.614 0.000) 2.775 4.306 ( 19.227 -6.595 0.000) 20.326 4.443 ( 19.286 0.882 0.000) 19.306 4.477 ( -2.980 -2.071 0.000) 3.629 4.512 ( 14.911 1.751 0.000) 15.014 4.589 ( -1.596 -7.803 0.000) 7.965 4.772 ( 10.383 2.659 0.000) 10.718 4.786 ( 0.920 -1.243 0.000) 1.546 4.865 ( 3.238 -3.740 0.000) 4.947 4.880 ( 4.600 -8.348 0.000) 9.532 5.259 ( -5.775 10.776 0.000) 12.226 5.435 ( -9.786 4.286 0.000) 10.683 5.503 ( 3.393 5.858 0.000) 6.770 5.626 ( 4.360 1.468 0.000) 4.600 5.866 ( -2.930 2.468 0.000) 3.831 6.007 ( -0.245 -1.211 0.000) 1.235 6.437 ( -8.028 1.001 0.000) 8.091 6.526 ( -5.591 -1.100 0.000) 5.698 7.475 ( 0.374 3.068 0.000) 3.091 7.537 ( 3.628 0.755 0.000) 3.706 8.025 ( -7.602 2.574 0.000) 8.026 8.386 ( -6.734 -6.865 0.000) 9.617 8.963 ( 21.657 1.627 0.000) 21.718 8.979 ( -35.135 2.142 0.000) 35.200 9.037 ( -35.636 0.447 0.000) 35.639 9.125 ( 26.456 -2.282 0.000) 26.555 10.323 ( -0.821 1.990 0.000) 2.153 10.508 ( 1.501 -2.472 0.000) 2.892 12.399 ( 8.308 3.731 0.000) 9.107 12.704 ( 12.465 -3.638 0.000) 12.985 12.788 ( 9.679 -0.643 0.000) 9.701 12.852 ( 26.455 -2.009 0.000) 26.531 13.074 ( 38.514 9.290 0.000) 39.619 13.904 ( -4.508 2.526 0.000) 5.168 14.081 ( -2.350 -1.704 0.000) 2.903 14.158 ( 13.850 -22.122 0.000) 26.100 15.397 ( 5.930 3.338 0.000) 6.804 15.646 ( 10.889 -2.643 0.000) 11.205 16.174 ( -21.761 5.021 0.000) 22.332 16.659 ( -5.466 -2.023 0.000) 5.828 17.175 ( -10.755 -1.194 0.000) 10.821 17.446 ( 4.685 -20.118 0.000) 20.656 17.922 ( -8.777 1.562 0.000) 8.915 18.079 ( -4.619 -2.189 0.000) 5.112 20.867 ( 5.717 0.965 0.000) 5.798 20.958 ( 7.161 -1.203 0.000) 7.262 21.580 ( -5.501 1.775 0.000) 5.780 21.794 ( -6.916 -3.966 0.000) 7.972 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 14.633 24.090 0.000) 28.186 1.641 ( 23.053 4.583 0.000) 23.505 2.089 ( -5.187 1.324 0.000) 5.354 2.144 ( 1.807 3.001 0.000) 3.503 2.197 ( 10.894 -4.914 0.000) 11.951 2.326 ( 4.118 0.873 0.000) 4.209 2.327 ( 10.016 -0.597 0.000) 10.034 2.483 ( -1.867 -0.616 0.000) 1.966 2.590 ( 1.735 -0.026 0.000) 1.735 2.979 ( -8.587 5.869 0.000) 10.402 3.084 ( -6.990 2.339 0.000) 7.371 3.112 ( 0.286 1.606 0.000) 1.631 3.210 ( 6.226 -2.819 0.000) 6.834 3.444 ( 15.130 2.888 0.000) 15.404 3.498 ( -6.512 -4.079 0.000) 7.684 3.530 ( -9.024 -4.709 0.000) 10.179 3.550 ( -12.102 0.636 0.000) 12.119 3.659 ( -5.688 7.251 0.000) 9.216 3.723 ( 0.724 -4.974 0.000) 5.026 3.951 ( 8.206 -7.353 0.000) 11.018 4.051 ( -3.483 -0.259 0.000) 3.493 4.107 ( 3.812 3.839 0.000) 5.410 4.143 ( 2.251 2.747 0.000) 3.552 4.171 ( 5.674 -4.158 0.000) 7.034 4.228 ( -0.017 1.572 0.000) 1.572 4.416 ( -3.528 -2.221 0.000) 4.169 4.569 ( -0.423 -9.759 0.000) 9.768 4.597 ( 4.280 -12.945 0.000) 13.634 4.803 ( 0.969 1.282 0.000) 1.608 4.882 ( 6.226 4.909 0.000) 7.929 4.920 ( 2.291 -4.279 0.000) 4.853 4.935 ( 12.328 0.535 0.000) 12.340 5.062 ( 28.694 3.731 0.000) 28.935 5.142 ( 32.919 1.918 0.000) 32.975 5.296 ( 10.960 2.159 0.000) 11.170 5.430 ( 15.404 -0.503 0.000) 15.412 5.554 ( 1.592 5.840 0.000) 6.053 5.680 ( 0.869 1.266 0.000) 1.535 5.915 ( 10.144 2.309 0.000) 10.404 6.105 ( 11.371 -2.205 0.000) 11.583 6.258 ( -10.664 1.608 0.000) 10.785 6.393 ( -8.415 -1.605 0.000) 8.567 7.510 ( 3.407 3.108 0.000) 4.612 7.649 ( 8.284 -0.713 0.000) 8.315 7.867 ( -9.404 2.045 0.000) 9.624 8.138 ( -30.624 -5.362 0.000) 31.090 8.286 ( -39.684 1.137 0.000) 39.701 8.335 ( -24.317 1.133 0.000) 24.344 9.379 ( 21.463 2.365 0.000) 21.592 9.612 ( 24.121 -3.226 0.000) 24.336 10.245 ( -7.273 2.310 0.000) 7.631 10.472 ( -5.299 -3.155 0.000) 6.167 12.565 ( 8.715 4.205 0.000) 9.676 12.835 ( 2.575 0.890 0.000) 2.725 12.906 ( -2.658 -0.900 0.000) 2.806 12.910 ( 7.461 -4.087 0.000) 8.507 13.863 ( 0.461 3.193 0.000) 3.226 14.102 ( 6.753 -2.719 0.000) 7.280 14.207 ( -4.738 0.309 0.000) 4.749 14.240 ( 53.927 -0.440 0.000) 53.929 15.515 ( 6.003 5.470 0.000) 8.121 15.724 ( -23.252 12.258 0.000) 26.285 15.876 ( 13.080 -3.335 0.000) 13.499 16.532 ( -7.806 -2.390 0.000) 8.164 16.995 ( -6.628 0.086 0.000) 6.629 17.559 ( 6.975 -19.200 0.000) 20.428 17.691 ( -15.846 2.583 0.000) 16.056 17.975 ( -6.229 -4.215 0.000) 7.521 20.995 ( 7.645 1.192 0.000) 7.737 21.108 ( 8.503 -1.497 0.000) 8.634 21.457 ( -7.267 1.523 0.000) 7.425 21.638 ( -9.225 -2.923 0.000) 9.677 ======================= Grid point 13 (10/60) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 12.052 14.945 0.000) 19.199 1.923 ( -5.660 6.225 0.000) 8.414 2.019 ( 9.687 4.403 0.000) 10.640 2.138 ( -2.280 2.019 0.000) 3.045 2.396 ( 7.264 -0.067 0.000) 7.264 2.412 ( 5.739 -4.366 0.000) 7.211 2.458 ( -0.142 3.921 0.000) 3.924 2.480 ( 1.864 -4.727 0.000) 5.081 2.645 ( 4.946 2.647 0.000) 5.609 2.796 ( -9.870 5.000 0.000) 11.064 3.060 ( 4.824 4.316 0.000) 6.473 3.115 ( 3.675 -6.063 0.000) 7.089 3.257 ( -14.618 2.982 0.000) 14.919 3.281 ( -12.202 -4.898 0.000) 13.148 3.382 ( 9.337 6.526 0.000) 11.392 3.449 ( -1.019 -4.955 0.000) 5.059 3.503 ( -5.067 -3.849 0.000) 6.363 3.544 ( -6.969 7.704 0.000) 10.388 3.822 ( 9.137 -1.104 0.000) 9.204 3.966 ( -5.793 -1.159 0.000) 5.908 4.051 ( 3.102 -4.395 0.000) 5.380 4.111 ( -3.317 -1.849 0.000) 3.798 4.221 ( 7.303 0.597 0.000) 7.327 4.270 ( 3.262 -1.200 0.000) 3.475 4.276 ( 2.247 1.857 0.000) 2.915 4.339 ( -4.865 -1.254 0.000) 5.024 4.574 ( 0.929 -10.757 0.000) 10.797 4.600 ( -1.495 -11.821 0.000) 11.915 4.826 ( 1.637 2.947 0.000) 3.371 4.871 ( -2.885 4.702 0.000) 5.516 4.953 ( 1.485 -3.775 0.000) 4.056 4.982 ( -1.333 -2.237 0.000) 2.604 5.403 ( 12.590 4.850 0.000) 13.492 5.508 ( 9.778 1.881 0.000) 9.957 5.545 ( -3.171 5.341 0.000) 6.211 5.647 ( -4.595 1.441 0.000) 4.815 5.779 ( 17.416 1.913 0.000) 17.521 5.905 ( 24.039 -1.120 0.000) 24.065 6.040 ( -12.247 2.135 0.000) 12.432 6.206 ( -11.556 -1.856 0.000) 11.704 6.396 ( 42.428 1.043 0.000) 42.440 6.557 ( 38.596 -2.775 0.000) 38.696 7.310 ( -49.004 0.060 0.000) 49.004 7.392 ( -44.635 -2.584 0.000) 44.709 7.605 ( 6.512 3.875 0.000) 7.578 7.755 ( -9.999 5.270 0.000) 11.303 7.842 ( 11.695 -2.235 0.000) 11.907 8.072 ( -12.099 -3.208 0.000) 12.517 9.756 ( 18.005 2.595 0.000) 18.191 10.018 ( 18.531 -3.701 0.000) 18.897 10.052 ( -13.020 2.547 0.000) 13.267 10.308 ( -11.972 -3.614 0.000) 12.506 12.714 ( 6.827 3.344 0.000) 7.602 12.824 ( -4.762 1.408 0.000) 4.966 12.905 ( 3.538 -0.413 0.000) 3.562 12.961 ( -1.315 -2.467 0.000) 2.796 13.920 ( 5.559 4.825 0.000) 7.361 14.063 ( -8.767 5.703 0.000) 10.459 14.375 ( 20.605 -7.301 0.000) 21.860 14.728 ( -7.460 -16.330 0.000) 17.954 15.514 ( 5.040 22.280 0.000) 22.843 15.591 ( 0.761 10.210 0.000) 10.239 16.127 ( 13.075 -3.717 0.000) 13.593 16.357 ( -10.839 -3.421 0.000) 11.366 17.009 ( 10.027 3.177 0.000) 10.518 17.333 ( -20.669 4.018 0.000) 21.056 17.701 ( 7.784 -13.817 0.000) 15.859 17.846 ( -7.341 -8.192 0.000) 11.000 21.150 ( 8.452 1.275 0.000) 8.547 21.276 ( 9.228 -1.748 0.000) 9.392 21.309 ( -8.248 1.348 0.000) 8.357 21.456 ( -9.699 -2.179 0.000) 9.940 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 0.000 20.350 0.000) 20.350 0.905 ( 0.000 24.002 0.000) 24.002 1.172 ( 0.000 -17.544 0.000) 17.544 1.354 ( 0.000 -22.575 0.000) 22.575 1.958 ( 0.000 44.442 0.000) 44.442 2.181 ( 0.000 7.513 0.000) 7.513 2.319 ( 0.000 -6.453 0.000) 6.453 2.493 ( 0.000 10.891 0.000) 10.891 2.627 ( 0.000 -11.139 0.000) 11.139 2.771 ( 0.000 -27.384 0.000) 27.384 2.870 ( 0.000 -1.860 0.000) 1.860 2.883 ( 0.000 -1.193 0.000) 1.193 3.185 ( 0.000 0.198 0.000) 0.198 3.189 ( 0.000 -0.193 0.000) 0.193 3.346 ( 0.000 5.977 0.000) 5.977 3.447 ( 0.000 -4.380 0.000) 4.380 3.476 ( 0.000 3.634 0.000) 3.634 3.487 ( 0.000 0.210 0.000) 0.210 3.622 ( 0.000 14.620 0.000) 14.620 3.747 ( 0.000 7.198 0.000) 7.198 3.865 ( 0.000 -0.402 0.000) 0.402 3.925 ( 0.000 1.694 0.000) 1.694 3.925 ( 0.000 -1.608 0.000) 1.608 3.965 ( 0.000 -15.245 0.000) 15.245 4.173 ( 0.000 2.926 0.000) 2.926 4.258 ( 0.000 -3.718 0.000) 3.718 4.303 ( 0.000 0.291 0.000) 0.291 4.309 ( 0.000 -0.018 0.000) 0.018 4.526 ( 0.000 -2.299 0.000) 2.299 4.527 ( 0.000 3.812 0.000) 3.812 4.533 ( 0.000 -4.639 0.000) 4.639 4.675 ( 0.000 -12.536 0.000) 12.536 4.691 ( 0.000 4.172 0.000) 4.172 4.777 ( 0.000 -4.233 0.000) 4.233 5.502 ( 0.000 3.037 0.000) 3.037 5.522 ( 0.000 0.782 0.000) 0.782 5.997 ( 0.000 9.705 0.000) 9.705 6.064 ( 0.000 2.432 0.000) 2.432 6.155 ( 0.000 -2.713 0.000) 2.713 6.160 ( 0.000 -2.871 0.000) 2.871 6.606 ( 0.000 0.582 0.000) 0.582 6.619 ( 0.000 -0.655 0.000) 0.655 7.598 ( 0.000 5.909 0.000) 5.909 7.715 ( 0.000 -5.968 0.000) 5.968 8.256 ( 0.000 4.424 0.000) 4.424 8.368 ( 0.000 -7.040 0.000) 7.040 8.390 ( 0.000 1.885 0.000) 1.885 8.424 ( 0.000 -1.552 0.000) 1.552 9.896 ( 0.000 2.865 0.000) 2.865 9.947 ( 0.000 -2.371 0.000) 2.371 10.179 ( 0.000 3.737 0.000) 3.737 10.245 ( 0.000 -3.002 0.000) 3.002 11.034 ( 0.000 0.024 0.000) 0.024 11.035 ( 0.000 -0.030 0.000) 0.030 12.283 ( 0.000 3.920 0.000) 3.920 12.359 ( 0.000 -3.785 0.000) 3.785 12.902 ( 0.000 0.072 0.000) 0.072 12.904 ( 0.000 -0.071 0.000) 0.071 14.088 ( 0.000 2.046 0.000) 2.046 14.125 ( 0.000 -1.738 0.000) 1.738 15.316 ( 0.000 2.880 0.000) 2.880 15.373 ( 0.000 -2.824 0.000) 2.824 16.655 ( 0.000 2.483 0.000) 2.483 16.706 ( 0.000 -2.762 0.000) 2.762 17.401 ( 0.000 1.154 0.000) 1.154 17.420 ( 0.000 -0.823 0.000) 0.823 18.100 ( 0.000 1.661 0.000) 1.661 18.134 ( 0.000 -1.842 0.000) 1.842 20.770 ( 0.000 0.773 0.000) 0.773 20.786 ( 0.000 -0.877 0.000) 0.877 21.750 ( 0.000 3.656 0.000) 3.656 21.823 ( 0.000 -3.739 0.000) 3.739 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 14.112 20.135 0.000) 24.587 1.335 ( 36.532 12.330 0.000) 38.556 1.445 ( 9.173 -20.526 0.000) 22.483 1.562 ( 30.143 -10.649 0.000) 31.969 2.014 ( 6.521 39.052 0.000) 39.593 2.199 ( 1.763 6.729 0.000) 6.956 2.317 ( -0.341 -5.083 0.000) 5.095 2.554 ( 2.881 5.175 0.000) 5.923 2.667 ( 1.081 -4.690 0.000) 4.813 2.747 ( 0.195 -20.147 0.000) 20.148 2.833 ( 1.245 -1.803 0.000) 2.192 2.916 ( 10.563 -8.222 0.000) 13.385 3.304 ( -4.043 5.461 0.000) 6.795 3.317 ( 6.704 7.827 0.000) 10.305 3.380 ( 15.942 -1.019 0.000) 15.974 3.400 ( -4.893 -4.540 0.000) 6.675 3.519 ( 10.425 4.099 0.000) 11.202 3.607 ( 11.475 -2.090 0.000) 11.664 3.685 ( -6.221 6.378 0.000) 8.910 3.799 ( -6.649 -3.829 0.000) 7.672 3.820 ( 15.130 2.169 0.000) 15.285 3.908 ( 0.378 6.019 0.000) 6.031 3.953 ( 1.295 -9.672 0.000) 9.759 3.984 ( 3.997 -1.953 0.000) 4.449 4.166 ( -0.277 4.010 0.000) 4.020 4.275 ( 0.818 -4.648 0.000) 4.720 4.331 ( 3.562 3.413 0.000) 4.933 4.406 ( 5.944 -3.805 0.000) 7.058 4.484 ( -3.276 -1.448 0.000) 3.582 4.521 ( -2.646 -4.134 0.000) 4.908 4.553 ( 5.672 3.105 0.000) 6.466 4.671 ( 0.646 -10.271 0.000) 10.291 4.718 ( 2.809 2.173 0.000) 3.551 4.779 ( 0.658 -3.401 0.000) 3.464 5.534 ( 3.138 3.458 0.000) 4.669 5.563 ( 3.830 0.308 0.000) 3.842 5.794 ( -19.260 6.193 0.000) 20.231 5.814 ( -21.463 4.832 0.000) 22.000 6.017 ( -5.757 3.245 0.000) 6.608 6.069 ( -7.691 -2.176 0.000) 7.993 6.569 ( -3.843 0.908 0.000) 3.949 6.588 ( -3.212 -0.983 0.000) 3.359 7.555 ( -2.414 2.650 0.000) 3.584 7.578 ( -6.142 0.994 0.000) 6.222 8.214 ( -4.278 4.946 0.000) 6.540 8.335 ( -3.471 -7.476 0.000) 8.243 8.604 ( 18.159 0.874 0.000) 18.180 8.629 ( 19.573 -1.617 0.000) 19.640 9.598 ( -25.384 1.900 0.000) 25.455 9.624 ( -25.972 -0.795 0.000) 25.984 10.315 ( 6.728 2.845 0.000) 7.305 10.371 ( 7.182 -2.825 0.000) 7.718 11.774 ( 66.007 12.018 0.000) 67.092 12.156 ( 78.545 -30.296 0.000) 84.186 12.342 ( 5.996 4.514 0.000) 7.505 12.430 ( 7.180 -4.370 0.000) 8.406 12.937 ( 4.753 0.314 0.000) 4.763 12.961 ( 9.399 -2.825 0.000) 9.815 14.047 ( -3.879 2.693 0.000) 4.722 14.097 ( -2.865 -2.336 0.000) 3.696 15.360 ( 4.519 3.439 0.000) 5.679 15.427 ( 5.583 -3.314 0.000) 6.492 16.565 ( -9.358 4.270 0.000) 10.287 16.656 ( -5.100 -4.969 0.000) 7.121 17.315 ( -7.676 0.097 0.000) 7.677 17.334 ( -8.255 -1.376 0.000) 8.369 18.068 ( -3.407 1.956 0.000) 3.928 18.109 ( -2.791 -2.160 0.000) 3.529 20.802 ( 3.337 1.114 0.000) 3.518 20.825 ( 3.928 -1.232 0.000) 4.117 21.719 ( -3.223 3.759 0.000) 4.952 21.798 ( -2.890 -4.336 0.000) 5.211 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 20.130 13.853 0.000) 24.436 1.677 ( 14.605 -15.990 0.000) 21.656 1.791 ( 12.961 21.132 0.000) 24.790 2.017 ( 16.262 -7.239 0.000) 17.800 2.186 ( 8.663 19.771 0.000) 21.586 2.237 ( 1.573 4.866 0.000) 5.114 2.306 ( -0.504 -2.027 0.000) 2.088 2.516 ( -3.239 -2.960 0.000) 4.387 2.600 ( -3.825 0.410 0.000) 3.847 2.799 ( 2.085 -24.579 0.000) 24.667 3.138 ( 24.486 7.913 0.000) 25.733 3.211 ( -5.273 4.718 0.000) 7.075 3.237 ( 15.309 3.356 0.000) 15.672 3.275 ( -7.644 -1.564 0.000) 7.802 3.459 ( 12.665 5.690 0.000) 13.884 3.545 ( -7.942 1.938 0.000) 8.175 3.617 ( 5.314 -5.390 0.000) 7.569 3.633 ( -10.427 -5.723 0.000) 11.894 3.747 ( 7.497 1.725 0.000) 7.693 3.866 ( 11.306 -7.359 0.000) 13.489 3.910 ( -0.858 10.367 0.000) 10.403 4.058 ( 2.103 -3.775 0.000) 4.322 4.071 ( 13.195 0.810 0.000) 13.220 4.148 ( 17.027 -7.599 0.000) 18.646 4.169 ( 1.298 5.200 0.000) 5.359 4.273 ( -1.046 -3.202 0.000) 3.369 4.413 ( -3.487 -3.128 0.000) 4.685 4.440 ( -5.389 -4.645 0.000) 7.115 4.469 ( 14.423 1.891 0.000) 14.547 4.511 ( 12.777 -1.981 0.000) 12.930 4.779 ( 3.053 0.883 0.000) 3.178 4.780 ( 13.212 -0.040 0.000) 13.212 4.800 ( 16.926 -1.338 0.000) 16.979 4.812 ( 2.588 -2.216 0.000) 3.408 5.434 ( -13.889 6.501 0.000) 15.336 5.491 ( -14.013 0.501 0.000) 14.022 5.603 ( 3.610 3.938 0.000) 5.342 5.643 ( 3.939 -0.300 0.000) 3.951 5.923 ( -2.370 3.154 0.000) 3.945 5.975 ( -1.129 -2.162 0.000) 2.439 6.463 ( -7.251 1.692 0.000) 7.446 6.497 ( -6.321 -1.753 0.000) 6.560 7.530 ( 0.312 2.116 0.000) 2.138 7.548 ( 1.800 0.109 0.000) 1.803 8.103 ( -7.244 5.654 0.000) 9.189 8.236 ( -7.095 -8.000 0.000) 10.693 9.008 ( 23.175 2.908 0.000) 23.356 9.018 ( -34.952 1.703 0.000) 34.993 9.039 ( -35.214 -0.424 0.000) 35.217 9.069 ( 25.022 -3.310 0.000) 25.240 10.376 ( -0.308 3.427 0.000) 3.441 10.446 ( 0.568 -3.715 0.000) 3.758 12.495 ( 9.486 5.917 0.000) 11.180 12.611 ( 11.057 -5.864 0.000) 12.515 12.790 ( 11.399 0.927 0.000) 11.437 12.818 ( 10.579 -1.732 0.000) 10.719 13.309 ( 52.546 15.773 0.000) 54.862 13.689 ( 45.888 -23.824 0.000) 51.704 13.966 ( -3.719 3.672 0.000) 5.226 14.034 ( -2.918 -3.163 0.000) 4.303 15.480 ( 7.853 5.026 0.000) 9.323 15.575 ( 9.732 -4.599 0.000) 10.764 16.319 ( -15.547 10.011 0.000) 18.492 16.533 ( -7.134 -10.899 0.000) 13.026 17.150 ( -9.694 -0.912 0.000) 9.737 17.181 ( -4.835 -5.923 0.000) 7.646 17.965 ( -7.758 2.840 0.000) 8.262 18.025 ( -6.174 -3.229 0.000) 6.967 20.893 ( 6.139 1.678 0.000) 6.365 20.928 ( 6.691 -1.825 0.000) 6.936 21.632 ( -5.868 3.584 0.000) 6.876 21.710 ( -6.224 -4.474 0.000) 7.665 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 19.263 8.740 0.000) 21.153 1.955 ( 5.596 20.656 0.000) 21.400 1.960 ( 13.565 -10.465 0.000) 17.133 2.185 ( 0.948 -4.619 0.000) 4.716 2.241 ( 0.099 5.243 0.000) 5.244 2.318 ( 1.752 -2.233 0.000) 2.838 2.327 ( 9.170 9.000 0.000) 12.849 2.509 ( 1.806 -2.033 0.000) 2.719 2.582 ( 2.626 3.213 0.000) 4.149 2.831 ( 1.686 -20.349 0.000) 20.418 3.109 ( -7.002 6.397 0.000) 9.485 3.144 ( -4.120 2.822 0.000) 4.994 3.398 ( -7.554 -4.316 0.000) 8.700 3.406 ( 6.192 11.713 0.000) 13.249 3.416 ( -11.631 -5.835 0.000) 13.012 3.500 ( 7.314 1.065 0.000) 7.391 3.579 ( -6.151 3.362 0.000) 7.010 3.651 ( 2.551 -2.613 0.000) 3.651 3.840 ( 8.467 -0.760 0.000) 8.501 3.860 ( -4.452 11.964 0.000) 12.765 4.007 ( 5.604 -13.055 0.000) 14.207 4.025 ( -4.557 -3.836 0.000) 5.957 4.185 ( -3.037 2.533 0.000) 3.955 4.202 ( 4.388 5.999 0.000) 7.433 4.272 ( 3.026 -0.627 0.000) 3.090 4.334 ( -5.360 -4.899 0.000) 7.261 4.350 ( 4.467 -10.418 0.000) 11.335 4.384 ( 0.230 -5.452 0.000) 5.457 4.829 ( 2.313 1.480 0.000) 2.746 4.862 ( 2.408 -2.072 0.000) 3.177 4.947 ( 12.926 1.785 0.000) 13.048 4.957 ( 13.043 0.676 0.000) 13.060 5.136 ( 30.722 3.912 0.000) 30.970 5.181 ( 29.635 0.293 0.000) 29.637 5.335 ( 8.397 2.814 0.000) 8.856 5.399 ( 11.296 -2.893 0.000) 11.660 5.652 ( 1.200 3.856 0.000) 4.038 5.693 ( 0.919 -0.429 0.000) 1.015 5.976 ( 9.381 3.796 0.000) 10.120 6.048 ( 9.995 -3.589 0.000) 10.620 6.300 ( -9.882 2.614 0.000) 10.222 6.351 ( -9.031 -2.607 0.000) 9.400 7.576 ( 4.433 3.279 0.000) 5.514 7.625 ( 6.346 -1.856 0.000) 6.612 7.928 ( -13.230 4.268 0.000) 13.901 8.026 ( -19.872 -5.860 0.000) 20.718 8.315 ( -37.480 1.633 0.000) 37.516 8.339 ( -32.826 -0.689 0.000) 32.834 9.443 ( 22.126 4.235 0.000) 22.528 9.532 ( 23.145 -4.761 0.000) 23.630 10.308 ( -6.800 4.118 0.000) 7.950 10.394 ( -6.042 -4.634 0.000) 7.615 12.673 ( 8.544 6.694 0.000) 10.854 12.804 ( 8.117 -6.634 0.000) 10.483 12.857 ( 1.839 1.351 0.000) 2.282 12.884 ( -0.107 -1.363 0.000) 1.367 13.942 ( 1.885 4.742 0.000) 5.103 14.032 ( 4.140 -4.407 0.000) 6.046 14.215 ( 10.981 0.621 0.000) 10.999 14.229 ( 32.408 -0.720 0.000) 32.416 15.646 ( 9.311 7.610 0.000) 12.026 15.783 ( 11.915 -6.317 0.000) 13.486 16.047 ( -10.700 20.192 0.000) 22.852 16.398 ( -7.484 -13.447 0.000) 15.389 17.019 ( -2.347 3.427 0.000) 4.154 17.186 ( 5.911 -15.556 0.000) 16.641 17.764 ( -13.618 4.983 0.000) 14.501 17.872 ( -9.941 -6.004 0.000) 11.614 21.027 ( 7.864 2.079 0.000) 8.134 21.070 ( 8.192 -2.267 0.000) 8.500 21.502 ( -7.661 3.088 0.000) 8.260 21.570 ( -8.337 -3.829 0.000) 9.174 ======================= Grid point 22 (15/60) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 2.489 12.296 0.000) 12.545 2.037 ( 5.068 5.421 0.000) 7.421 2.100 ( 3.638 0.839 0.000) 3.733 2.161 ( -2.075 -1.878 0.000) 2.799 2.338 ( 8.916 0.204 0.000) 8.918 2.389 ( 6.825 -2.521 0.000) 7.276 2.446 ( -0.063 3.012 0.000) 3.012 2.509 ( -3.168 -0.295 0.000) 3.182 2.708 ( 10.324 6.001 0.000) 11.941 2.913 ( 8.580 -13.454 0.000) 15.957 2.929 ( -11.430 9.005 0.000) 14.551 3.110 ( -5.883 -7.163 0.000) 9.269 3.199 ( -3.438 4.458 0.000) 5.630 3.325 ( -11.107 4.035 0.000) 11.817 3.329 ( 0.050 -7.106 0.000) 7.106 3.412 ( -7.635 -5.039 0.000) 9.148 3.599 ( 7.434 14.097 0.000) 15.937 3.746 ( -7.316 12.146 0.000) 14.179 3.788 ( 7.861 -3.966 0.000) 8.804 3.919 ( -6.236 -4.725 0.000) 7.824 3.989 ( 6.390 0.029 0.000) 6.390 4.097 ( -5.269 1.783 0.000) 5.562 4.116 ( 5.939 -11.173 0.000) 12.653 4.223 ( -5.417 -9.844 0.000) 11.236 4.298 ( 4.634 3.901 0.000) 6.057 4.337 ( 1.165 2.412 0.000) 2.678 4.395 ( 0.566 -4.786 0.000) 4.819 4.396 ( 0.923 -7.156 0.000) 7.215 4.874 ( 2.794 1.969 0.000) 3.418 4.905 ( 2.497 -1.616 0.000) 2.975 4.941 ( -3.952 2.440 0.000) 4.645 4.965 ( -3.776 -0.381 0.000) 3.795 5.485 ( 11.841 3.525 0.000) 12.355 5.526 ( 10.444 -0.503 0.000) 10.456 5.632 ( -3.885 3.292 0.000) 5.092 5.664 ( -4.226 -0.130 0.000) 4.228 5.825 ( 19.415 2.640 0.000) 19.594 5.873 ( 21.810 -2.222 0.000) 21.923 6.094 ( -11.843 3.292 0.000) 12.292 6.157 ( -11.593 -3.116 0.000) 12.005 6.431 ( 41.330 2.642 0.000) 41.415 6.493 ( 39.677 -3.627 0.000) 39.843 7.317 ( -47.057 0.864 0.000) 47.065 7.345 ( -44.955 -2.075 0.000) 45.003 7.694 ( 7.875 4.975 0.000) 9.315 7.782 ( 9.858 -4.021 0.000) 10.646 7.871 ( -11.427 6.411 0.000) 13.103 7.987 ( -11.831 -5.479 0.000) 13.038 9.828 ( 18.121 4.733 0.000) 18.728 9.928 ( 18.319 -5.406 0.000) 19.100 10.122 ( -12.769 4.626 0.000) 13.581 10.219 ( -12.365 -5.277 0.000) 13.444 12.798 ( 4.583 5.059 0.000) 6.826 12.858 ( -2.039 1.899 0.000) 2.786 12.889 ( 1.137 -1.289 0.000) 1.719 12.893 ( 1.495 -4.537 0.000) 4.777 14.045 ( 8.558 7.985 0.000) 11.704 14.212 ( 13.700 -9.102 0.000) 16.448 14.217 ( -7.365 10.138 0.000) 12.531 14.443 ( -6.138 -13.482 0.000) 14.813 15.816 ( 8.085 11.994 0.000) 14.465 15.931 ( -4.136 20.069 0.000) 20.490 16.014 ( 12.160 -8.282 0.000) 14.712 16.231 ( -10.345 -10.747 0.000) 14.917 17.124 ( 13.564 9.539 0.000) 16.583 17.384 ( 13.619 -17.003 0.000) 21.785 17.453 ( -18.523 8.585 0.000) 20.416 17.649 ( -13.395 -11.269 0.000) 17.504 21.185 ( 8.576 2.302 0.000) 8.879 21.233 ( 8.872 -2.589 0.000) 9.243 21.347 ( -8.502 2.596 0.000) 8.889 21.403 ( -9.042 -3.081 0.000) 9.552 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 0.000 0.000 22.914) 22.914 0.589 ( 0.000 0.000 27.670) 27.670 0.882 ( 0.000 0.000 42.209) 42.209 1.842 ( 0.000 0.000 5.272) 5.272 2.002 ( 0.000 0.000 1.884) 1.884 2.020 ( 0.000 0.000 8.608) 8.608 2.102 ( 0.000 0.000 1.904) 1.904 2.416 ( 0.000 0.000 -2.185) 2.185 2.650 ( 0.000 0.000 -4.355) 4.355 2.775 ( 0.000 0.000 -7.641) 7.641 2.871 ( 0.000 0.000 -4.750) 4.750 2.890 ( 0.000 0.000 -1.243) 1.243 3.176 ( 0.000 0.000 -0.202) 0.202 3.270 ( 0.000 0.000 9.688) 9.688 3.366 ( 0.000 0.000 -1.161) 1.161 3.409 ( 0.000 0.000 -2.660) 2.660 3.416 ( 0.000 0.000 13.453) 13.453 3.576 ( 0.000 0.000 3.786) 3.786 3.684 ( 0.000 0.000 -3.136) 3.136 3.746 ( 0.000 0.000 6.201) 6.201 3.846 ( 0.000 0.000 3.684) 3.684 4.009 ( 0.000 0.000 -2.519) 2.519 4.106 ( 0.000 0.000 -7.164) 7.164 4.167 ( 0.000 0.000 -11.632) 11.632 4.286 ( 0.000 0.000 5.686) 5.686 4.328 ( 0.000 0.000 3.327) 3.327 4.370 ( 0.000 0.000 6.301) 6.301 4.381 ( 0.000 0.000 6.567) 6.567 4.475 ( 0.000 0.000 -3.196) 3.196 4.508 ( 0.000 0.000 0.531) 0.531 4.688 ( 0.000 0.000 0.492) 0.492 4.778 ( 0.000 0.000 -7.420) 7.420 5.030 ( 0.000 0.000 -7.015) 7.015 5.038 ( 0.000 0.000 -0.529) 0.529 5.335 ( 0.000 0.000 -1.425) 1.425 5.422 ( 0.000 0.000 -3.285) 3.285 5.567 ( 0.000 0.000 -2.407) 2.407 5.630 ( 0.000 0.000 -2.244) 2.244 6.065 ( 0.000 0.000 6.224) 6.224 6.112 ( 0.000 0.000 -9.699) 9.699 6.478 ( 0.000 0.000 -9.948) 9.948 6.525 ( 0.000 0.000 -15.402) 15.402 7.274 ( 0.000 0.000 -12.681) 12.681 7.319 ( 0.000 0.000 -11.207) 11.207 8.369 ( 0.000 0.000 14.430) 14.430 8.456 ( 0.000 0.000 9.790) 9.790 8.562 ( 0.000 0.000 9.363) 9.363 8.702 ( 0.000 0.000 10.818) 10.818 9.930 ( 0.000 0.000 -1.814) 1.814 9.974 ( 0.000 0.000 -2.098) 2.098 10.068 ( 0.000 0.000 -3.753) 3.753 10.249 ( 0.000 0.000 -5.112) 5.112 11.035 ( 0.000 0.000 0.054) 0.054 11.036 ( 0.000 0.000 0.000) 0.000 12.207 ( 0.000 0.000 1.137) 1.137 12.427 ( 0.000 0.000 -1.400) 1.400 12.867 ( 0.000 0.000 0.363) 0.363 12.905 ( 0.000 0.000 -0.072) 0.072 14.042 ( 0.000 0.000 0.367) 0.367 14.152 ( 0.000 0.000 -0.711) 0.711 14.667 ( 0.000 0.000 9.021) 9.021 15.261 ( 0.000 0.000 0.827) 0.827 15.425 ( 0.000 0.000 -0.899) 0.899 16.480 ( 0.000 0.000 -11.586) 11.586 16.766 ( 0.000 0.000 -0.541) 0.541 17.217 ( 0.000 0.000 -14.857) 14.857 18.309 ( 0.000 0.000 17.297) 17.297 19.216 ( 0.000 0.000 -1.856) 1.856 20.914 ( 0.000 0.000 9.788) 9.788 21.666 ( 0.000 0.000 -0.532) 0.532 21.940 ( 0.000 0.000 3.189) 3.189 22.461 ( 0.000 0.000 -2.156) 2.156 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 13.387 0.000 17.018) 21.652 0.691 ( 11.450 0.000 18.731) 21.953 1.546 ( 49.510 0.000 25.460) 55.672 1.970 ( 5.203 0.000 0.649) 5.244 2.025 ( 2.303 0.000 1.115) 2.559 2.107 ( 0.849 0.000 0.455) 0.964 2.253 ( 27.115 0.000 10.677) 29.142 2.351 ( -5.390 0.000 -3.432) 6.390 2.694 ( 3.183 0.000 -0.787) 3.279 2.756 ( -0.687 0.000 -2.923) 3.003 2.796 ( -3.659 0.000 -1.875) 4.112 3.073 ( 14.166 0.000 -4.494) 14.862 3.144 ( -3.191 0.000 -0.628) 3.252 3.359 ( 0.426 0.000 -1.758) 1.809 3.363 ( -0.672 0.000 -2.917) 2.993 3.456 ( 3.255 0.000 -4.808) 5.806 3.516 ( 12.183 0.000 6.544) 13.829 3.714 ( 8.251 0.000 0.242) 8.255 3.715 ( 0.304 0.000 8.975) 8.980 3.750 ( 6.549 0.000 -1.411) 6.699 3.865 ( 4.635 0.000 1.308) 4.816 3.971 ( -7.040 0.000 0.405) 7.052 4.077 ( -0.808 0.000 -2.284) 2.422 4.092 ( 2.743 0.000 -3.078) 4.122 4.249 ( -4.117 0.000 2.298) 4.715 4.335 ( -3.195 0.000 5.211) 6.112 4.365 ( 4.370 0.000 10.848) 11.695 4.453 ( -4.259 0.000 -0.006) 4.259 4.483 ( 9.595 0.000 -0.529) 9.609 4.493 ( 0.596 0.000 -3.535) 3.585 4.695 ( 0.801 0.000 0.928) 1.226 4.756 ( -1.790 0.000 -7.072) 7.295 4.920 ( -5.486 0.000 -0.484) 5.508 5.043 ( 0.766 0.000 -0.113) 0.774 5.243 ( -9.105 0.000 13.740) 16.483 5.352 ( 1.810 0.000 -1.859) 2.594 5.472 ( 4.450 0.000 -3.611) 5.731 5.535 ( -8.839 0.000 -1.764) 9.013 5.891 ( -7.413 0.000 -1.757) 7.618 6.018 ( -6.509 0.000 -7.975) 10.294 6.483 ( -0.448 0.000 -7.579) 7.592 6.546 ( 1.488 0.000 -7.081) 7.236 7.290 ( 1.786 0.000 -11.544) 11.682 7.339 ( 2.186 0.000 -9.981) 10.217 8.318 ( -5.111 0.000 14.541) 15.413 8.626 ( 13.013 0.000 3.347) 13.436 8.670 ( -3.513 0.000 10.154) 10.745 8.717 ( 16.604 0.000 4.802) 17.285 9.537 ( -25.834 0.000 -0.371) 25.836 9.603 ( -26.509 0.000 -2.285) 26.607 10.220 ( 5.777 0.000 -3.077) 6.545 10.378 ( 7.742 0.000 -5.112) 9.277 11.602 ( 55.466 0.000 0.463) 55.468 12.252 ( 4.689 0.000 1.160) 4.830 12.506 ( 8.164 0.000 -1.738) 8.347 12.829 ( -2.011 0.000 0.778) 2.156 12.944 ( 2.081 0.000 -0.397) 2.119 13.990 ( -4.911 0.000 0.620) 4.950 14.025 ( 154.580 0.000 -132.106) 203.340 14.135 ( -1.977 0.000 -0.851) 2.152 14.616 ( -5.326 0.000 8.647) 10.156 15.292 ( 3.264 0.000 0.942) 3.397 15.493 ( 7.324 0.000 -1.482) 7.472 16.361 ( -12.345 0.000 -11.076) 16.586 16.740 ( -2.653 0.000 -0.423) 2.686 17.169 ( -4.863 0.000 -13.636) 14.477 18.252 ( -6.053 0.000 16.285) 17.374 19.050 ( -15.865 0.000 6.287) 17.065 20.947 ( 3.404 0.000 9.059) 9.678 21.615 ( -9.362 0.000 5.182) 10.700 21.732 ( -19.495 0.000 20.254) 28.112 22.070 ( -14.936 0.000 11.397) 18.788 ======================= Grid point 47 (18/60) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 18.321 0.000 10.532) 21.133 0.990 ( 19.373 0.000 -1.784) 19.455 2.049 ( 4.887 0.000 -4.918) 6.933 2.074 ( 1.585 0.000 -1.211) 1.995 2.149 ( 4.020 0.000 -2.723) 4.855 2.262 ( 18.926 0.000 22.538) 29.431 2.264 ( -2.350 0.000 -0.725) 2.459 2.589 ( 4.454 0.000 5.640) 7.187 2.663 ( -4.598 0.000 5.209) 6.948 2.848 ( 8.334 0.000 -1.634) 8.492 3.006 ( 22.313 0.000 0.103) 22.313 3.061 ( -5.455 0.000 -0.279) 5.462 3.219 ( -5.465 0.000 -1.569) 5.686 3.308 ( -4.277 0.000 -4.314) 6.075 3.464 ( 22.191 0.000 -0.520) 22.198 3.523 ( 1.919 0.000 -2.942) 3.512 3.643 ( -7.186 0.000 -0.973) 7.251 3.760 ( -2.863 0.000 -0.079) 2.864 3.788 ( 5.864 0.000 -1.444) 6.039 3.834 ( 3.299 0.000 -9.079) 9.659 3.961 ( 3.627 0.000 4.942) 6.130 3.965 ( 4.938 0.000 0.686) 4.985 4.084 ( 1.218 0.000 -0.249) 1.243 4.199 ( 0.057 0.000 1.779) 1.780 4.278 ( 6.047 0.000 0.575) 6.074 4.363 ( 11.055 0.000 -2.785) 11.401 4.460 ( 12.135 0.000 3.366) 12.593 4.493 ( 0.184 0.000 -2.130) 2.138 4.524 ( 18.240 0.000 8.057) 19.940 4.665 ( 6.615 0.000 -7.191) 9.771 4.717 ( 1.518 0.000 3.077) 3.431 4.749 ( 2.927 0.000 -2.490) 3.844 4.903 ( 2.160 0.000 -1.876) 2.861 5.087 ( 4.770 0.000 0.309) 4.780 5.139 ( -4.080 0.000 7.507) 8.545 5.377 ( -5.840 0.000 -0.191) 5.843 5.397 ( 2.661 0.000 -2.642) 3.750 5.560 ( 4.210 0.000 -4.278) 6.002 5.792 ( -1.316 0.000 -3.080) 3.349 5.973 ( 2.257 0.000 -3.438) 4.113 6.439 ( -4.508 0.000 -0.650) 4.555 6.533 ( -3.003 0.000 -1.060) 3.185 7.349 ( 4.533 0.000 -7.424) 8.698 7.411 ( 5.732 0.000 -7.361) 9.330 8.192 ( -7.802 0.000 14.362) 16.344 8.567 ( -7.315 0.000 8.644) 11.324 8.883 ( -7.610 0.000 -2.969) 8.168 8.981 ( -16.395 0.000 -0.516) 16.403 9.018 ( -22.909 0.000 -0.384) 22.912 9.140 ( 18.952 0.000 -0.669) 18.963 10.260 ( -1.438 0.000 -3.931) 4.186 10.467 ( 1.337 0.000 -6.068) 6.214 12.375 ( 7.948 0.000 1.268) 8.049 12.711 ( 12.093 0.000 -2.624) 12.374 12.812 ( 0.683 0.000 1.174) 1.358 12.900 ( 75.408 0.000 1.172) 75.417 12.959 ( -0.675 0.000 -0.381) 0.775 13.889 ( -4.678 0.000 1.009) 4.786 14.086 ( -2.328 0.000 -1.074) 2.564 14.472 ( -9.577 0.000 7.587) 12.218 15.376 ( 5.342 0.000 1.130) 5.460 15.613 ( 15.869 0.000 -13.024) 20.529 16.018 ( 58.480 0.000 -82.715) 101.300 16.024 ( -22.756 0.000 -9.688) 24.732 16.675 ( -3.289 0.000 -0.699) 3.362 17.047 ( -7.262 0.000 -10.548) 12.806 18.080 ( -12.181 0.000 13.378) 18.093 18.693 ( -20.238 0.000 12.701) 23.893 21.036 ( 5.819 0.000 7.550) 9.532 21.316 ( -10.322 0.000 26.473) 28.414 21.583 ( -5.230 0.000 2.523) 5.806 21.880 ( -9.018 0.000 4.026) 9.876 ======================= Grid point 48 (19/60) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 18.999 0.000 6.905) 20.215 1.395 ( 22.634 0.000 -11.350) 25.320 2.033 ( -5.592 0.000 -1.299) 5.741 2.178 ( 8.847 0.000 -9.539) 13.010 2.251 ( 5.755 0.000 -2.604) 6.317 2.306 ( 5.756 0.000 -0.465) 5.774 2.358 ( -3.535 0.000 15.255) 15.659 2.583 ( -2.401 0.000 5.399) 5.909 2.625 ( -1.531 0.000 2.602) 3.019 2.925 ( -6.902 0.000 0.729) 6.941 3.008 ( -4.475 0.000 -6.108) 7.572 3.028 ( 7.538 0.000 -0.641) 7.565 3.238 ( -1.778 0.000 -4.171) 4.534 3.334 ( -4.964 0.000 -6.530) 8.203 3.498 ( -4.787 0.000 -1.562) 5.035 3.563 ( -0.911 0.000 3.502) 3.619 3.612 ( -10.245 0.000 0.007) 10.245 3.659 ( -5.390 0.000 1.773) 5.674 3.739 ( 3.175 0.000 -0.923) 3.306 3.931 ( 6.030 0.000 -12.172) 13.584 4.054 ( 3.798 0.000 0.064) 3.799 4.065 ( 3.784 0.000 3.325) 5.037 4.098 ( 4.627 0.000 4.180) 6.235 4.223 ( 1.105 0.000 -0.240) 1.131 4.294 ( -0.841 0.000 4.235) 4.318 4.448 ( -2.277 0.000 0.463) 2.324 4.671 ( 6.183 0.000 0.363) 6.194 4.710 ( 2.386 0.000 -6.632) 7.048 4.783 ( 5.661 0.000 3.917) 6.884 4.810 ( 1.688 0.000 -0.408) 1.737 4.915 ( 9.413 0.000 -3.097) 9.909 4.969 ( 21.348 0.000 -0.268) 21.349 5.091 ( -1.127 0.000 4.144) 4.295 5.125 ( 39.909 0.000 1.164) 39.926 5.241 ( 10.511 0.000 -2.100) 10.719 5.438 ( 1.259 0.000 -3.364) 3.592 5.441 ( 18.198 0.000 0.981) 18.225 5.611 ( 0.779 0.000 -4.679) 4.744 5.885 ( 12.073 0.000 0.453) 12.081 6.105 ( 12.188 0.000 -1.611) 12.294 6.313 ( -8.397 0.000 4.803) 9.673 6.438 ( -6.691 0.000 2.368) 7.098 7.459 ( 7.060 0.000 -1.057) 7.139 7.565 ( 10.313 0.000 -4.128) 11.109 8.038 ( -7.984 0.000 13.188) 15.416 8.192 ( -43.155 0.000 -0.746) 43.162 8.265 ( -42.780 0.000 -1.334) 42.801 8.394 ( -10.862 0.000 6.846) 12.840 9.320 ( 19.854 0.000 -3.125) 20.098 9.584 ( 22.949 0.000 -5.483) 23.595 10.171 ( -7.794 0.000 -4.669) 9.086 10.427 ( -5.495 0.000 -7.076) 8.959 12.538 ( 8.812 0.000 1.421) 8.925 12.829 ( 2.713 0.000 0.086) 2.714 12.916 ( -2.301 0.000 -0.133) 2.305 12.930 ( 6.014 0.000 -1.578) 6.218 13.844 ( 0.159 0.000 1.259) 1.269 14.106 ( 6.324 0.000 -1.879) 6.597 14.264 ( 64.375 0.000 2.095) 64.409 14.270 ( -10.769 0.000 6.099) 12.376 15.477 ( 4.656 0.000 1.702) 4.957 15.523 ( -29.338 0.000 -7.753) 30.345 15.867 ( 13.232 0.000 -4.345) 13.927 16.493 ( -4.728 0.000 -10.804) 11.793 16.857 ( 6.911 0.000 -19.081) 20.294 17.028 ( 21.330 0.000 -29.080) 36.064 17.783 ( -19.356 0.000 9.111) 21.393 18.313 ( -19.780 0.000 7.681) 21.219 21.153 ( 5.883 0.000 7.803) 9.772 21.244 ( 1.685 0.000 14.745) 14.841 21.475 ( -6.115 0.000 2.944) 6.787 21.701 ( -9.841 0.000 3.034) 10.298 ======================= Grid point 49 (20/60) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 15.941 0.000 4.718) 16.624 1.818 ( 21.279 0.000 -10.066) 23.540 1.878 ( -10.796 0.000 2.634) 11.113 2.173 ( -15.234 0.000 0.390) 15.239 2.349 ( 4.231 0.000 -2.744) 5.043 2.374 ( 10.923 0.000 -9.202) 14.283 2.387 ( 1.021 0.000 -2.644) 2.834 2.550 ( -6.470 0.000 -2.193) 6.831 2.620 ( 6.216 0.000 3.537) 7.152 2.769 ( -8.646 0.000 2.541) 9.012 2.997 ( 3.682 0.000 -3.667) 5.197 3.140 ( 5.424 0.000 -1.415) 5.606 3.150 ( -10.901 0.000 -3.446) 11.432 3.263 ( -1.515 0.000 -4.498) 4.746 3.359 ( -2.716 0.000 1.074) 2.921 3.455 ( -6.850 0.000 -1.162) 6.948 3.479 ( -1.951 0.000 -4.044) 4.490 3.529 ( -5.995 0.000 -0.492) 6.015 3.900 ( 8.436 0.000 6.543) 10.676 4.021 ( -4.489 0.000 4.478) 6.341 4.032 ( 4.415 0.000 -9.035) 10.057 4.089 ( -0.890 0.000 -4.350) 4.440 4.236 ( 1.611 0.000 0.082) 1.613 4.267 ( 8.018 0.000 4.321) 9.108 4.276 ( -1.658 0.000 0.842) 1.860 4.384 ( -4.569 0.000 2.389) 5.155 4.726 ( 2.307 0.000 3.132) 3.890 4.760 ( 2.782 0.000 -2.243) 3.574 4.777 ( -2.902 0.000 3.499) 4.546 4.805 ( -1.664 0.000 -0.360) 1.703 5.003 ( 2.870 0.000 -0.010) 2.870 5.053 ( -2.538 0.000 2.015) 3.240 5.287 ( 11.450 0.000 -4.162) 12.182 5.403 ( 0.666 0.000 -5.798) 5.836 5.459 ( 5.522 0.000 -2.457) 6.044 5.579 ( -4.375 0.000 -4.402) 6.206 5.809 ( 19.829 0.000 4.255) 20.280 5.924 ( 23.828 0.000 1.251) 23.861 6.087 ( -8.801 0.000 5.474) 10.365 6.233 ( -8.985 0.000 0.656) 9.009 6.412 ( 38.233 0.000 2.508) 38.315 6.585 ( 36.285 0.000 -0.099) 36.285 7.311 ( -49.114 0.000 0.111) 49.114 7.413 ( -46.194 0.000 -1.017) 46.205 7.610 ( 8.418 0.000 4.166) 9.393 7.722 ( 0.810 0.000 2.540) 2.666 7.956 ( 4.183 0.000 7.825) 8.873 8.163 ( -13.118 0.000 5.130) 14.085 9.678 ( 17.505 0.000 -4.782) 18.146 9.970 ( -8.326 0.000 -5.487) 9.971 9.977 ( 13.229 0.000 -7.009) 14.971 10.261 ( -11.960 0.000 -7.707) 14.228 12.695 ( 7.494 0.000 1.334) 7.612 12.819 ( -5.412 0.000 0.788) 5.469 12.907 ( 3.918 0.000 -0.129) 3.920 12.973 ( -1.829 0.000 -1.093) 2.131 13.893 ( 5.235 0.000 2.048) 5.622 14.043 ( -10.023 0.000 3.403) 10.585 14.421 ( 23.423 0.000 -3.039) 23.619 14.947 ( -30.431 0.000 -5.569) 30.936 15.202 ( 32.081 0.000 2.652) 32.191 15.506 ( -3.784 0.000 2.260) 4.408 16.114 ( 12.646 0.000 -4.617) 13.462 16.337 ( -10.515 0.000 -5.422) 11.831 16.958 ( 13.034 0.000 -1.748) 13.151 17.343 ( -22.413 0.000 3.606) 22.701 17.533 ( 21.798 0.000 -20.214) 29.728 17.938 ( -20.146 0.000 -4.228) 20.585 21.250 ( 5.076 0.000 8.557) 9.949 21.347 ( 6.658 0.000 5.487) 8.627 21.358 ( -4.829 0.000 5.126) 7.042 21.516 ( -9.487 0.000 3.458) 10.098 ======================= Grid point 54 (21/60) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 0.000 16.086 17.481) 23.756 0.705 ( 0.000 11.103 22.203) 24.825 1.276 ( 0.000 32.835 26.135) 41.966 1.651 ( 0.000 -11.801 6.757) 13.598 1.807 ( 0.000 -16.178 6.303) 17.362 2.104 ( 0.000 5.792 4.283) 7.204 2.264 ( 0.000 10.636 0.851) 10.670 2.439 ( 0.000 0.908 -0.454) 1.015 2.692 ( 0.000 1.785 -1.988) 2.672 2.820 ( 0.000 1.436 -4.436) 4.663 2.867 ( 0.000 -0.406 -4.368) 4.386 2.923 ( 0.000 7.036 -5.650) 9.023 3.219 ( 0.000 1.163 -2.443) 2.705 3.269 ( 0.000 -0.008 9.364) 9.364 3.317 ( 0.000 -4.941 2.206) 5.411 3.425 ( 0.000 1.279 11.049) 11.122 3.443 ( 0.000 2.918 -0.928) 3.062 3.588 ( 0.000 0.572 3.608) 3.653 3.654 ( 0.000 -5.017 -0.345) 5.029 3.718 ( 0.000 -3.091 5.362) 6.189 3.831 ( 0.000 1.645 5.007) 5.271 3.884 ( 0.000 -12.353 -1.903) 12.499 3.987 ( 0.000 -2.037 -1.676) 2.638 4.116 ( 0.000 -2.044 -5.664) 6.021 4.250 ( 0.000 -3.216 4.897) 5.859 4.300 ( 0.000 -1.721 2.656) 3.165 4.321 ( 0.000 -1.452 2.797) 3.151 4.382 ( 0.000 0.187 6.247) 6.250 4.507 ( 0.000 2.196 -0.543) 2.262 4.537 ( 0.000 2.331 0.616) 2.411 4.652 ( 0.000 -2.809 0.463) 2.846 4.670 ( 0.000 -10.065 -2.348) 10.335 4.781 ( 0.000 -3.915 -5.647) 6.871 5.181 ( 0.000 -13.450 14.684) 19.913 5.352 ( 0.000 5.218 -6.462) 8.305 5.427 ( 0.000 1.194 -5.428) 5.557 5.754 ( 0.000 9.963 -2.962) 10.394 5.769 ( 0.000 13.299 -22.016) 25.721 6.048 ( 0.000 -0.169 0.101) 0.197 6.096 ( 0.000 -1.646 -9.140) 9.287 6.477 ( 0.000 -0.031 -10.398) 10.398 6.499 ( 0.000 -1.270 -13.512) 13.571 7.334 ( 0.000 1.399 -12.339) 12.418 7.360 ( 0.000 3.638 -21.104) 21.415 8.385 ( 0.000 1.727 13.019) 13.133 8.491 ( 0.000 3.564 12.574) 13.070 8.531 ( 0.000 -1.840 7.977) 8.187 8.806 ( 0.000 2.223 15.061) 15.224 9.875 ( 0.000 -2.285 0.541) 2.348 9.961 ( 0.000 -1.325 -2.071) 2.459 10.073 ( 0.000 1.842 -3.861) 4.278 10.235 ( 0.000 -1.476 -5.046) 5.258 11.035 ( 0.000 0.001 0.043) 0.043 11.036 ( 0.000 -0.021 -0.000) 0.021 12.230 ( 0.000 2.385 1.020) 2.594 12.413 ( 0.000 -1.787 -0.811) 1.962 12.888 ( 0.000 0.952 -0.653) 1.155 12.904 ( 0.000 -0.069 -0.094) 0.116 14.058 ( 0.000 1.345 0.394) 1.402 14.145 ( 0.000 -0.770 -0.575) 0.961 15.275 ( 0.000 1.872 0.233) 1.886 15.409 ( 0.000 -1.566 -0.756) 1.739 15.488 ( 0.000 53.832 -44.924) 70.114 16.470 ( 0.000 -1.180 -13.954) 14.004 16.791 ( 0.000 2.957 -1.049) 3.137 17.180 ( 0.000 -3.940 -15.352) 15.849 18.356 ( 0.000 4.879 18.563) 19.194 19.053 ( 0.000 -14.965 10.287) 18.160 20.928 ( 0.000 1.678 11.466) 11.588 21.687 ( 0.000 -0.507 1.799) 1.870 21.745 ( 0.000 -41.404 37.074) 55.577 21.912 ( 0.000 -2.785 2.759) 3.920 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.11 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 12.562 12.946 8.739) 20.044 1.099 ( 13.254 28.403 12.349) 33.688 1.646 ( 39.524 12.115 23.731) 47.666 1.763 ( 5.400 -15.537 0.789) 16.468 1.978 ( 15.515 -9.197 6.905) 19.313 2.110 ( 0.816 4.367 2.443) 5.070 2.332 ( 3.138 2.117 0.733) 3.856 2.425 ( 6.584 8.708 1.212) 10.984 2.714 ( 0.436 0.673 1.650) 1.834 2.802 ( -1.809 1.442 -1.758) 2.906 2.862 ( 2.753 9.658 -4.814) 11.137 3.029 ( 11.657 -3.694 -1.904) 12.376 3.182 ( -2.341 0.840 -2.105) 3.258 3.306 ( -1.390 -4.392 0.067) 4.607 3.356 ( -0.787 -1.039 -1.904) 2.307 3.447 ( 6.627 -1.338 0.609) 6.789 3.547 ( 7.176 3.348 1.220) 8.013 3.689 ( 4.502 -2.977 4.960) 7.331 3.710 ( 5.491 0.330 4.782) 7.289 3.792 ( 11.676 -0.156 -1.328) 11.753 3.841 ( 1.037 -0.912 5.055) 5.240 3.855 ( -0.777 -5.381 -0.388) 5.451 3.996 ( 0.575 -4.873 -1.967) 5.287 4.088 ( 2.165 -1.397 -2.336) 3.478 4.226 ( -3.148 -2.555 7.041) 8.125 4.311 ( 1.157 -1.439 3.007) 3.528 4.347 ( -0.807 0.065 2.748) 2.865 4.431 ( 5.850 -2.392 -3.651) 7.299 4.497 ( -2.603 2.169 1.286) 3.624 4.526 ( 2.432 1.255 0.508) 2.784 4.629 ( -1.024 -6.614 -0.135) 6.694 4.710 ( 2.745 -4.287 -2.414) 5.634 4.791 ( 1.836 -3.764 -3.996) 5.788 5.102 ( -8.354 -11.606 11.947) 18.634 5.328 ( -4.305 10.430 -7.758) 13.694 5.439 ( -1.898 3.278 -6.647) 7.651 5.506 ( -5.160 11.123 -2.632) 12.541 5.648 ( -8.688 7.851 -1.511) 11.807 5.917 ( -6.907 2.504 -2.333) 7.708 6.009 ( -6.237 -0.825 -7.463) 9.760 6.486 ( -0.102 0.340 -7.672) 7.680 6.535 ( 1.663 -0.950 -7.282) 7.530 7.324 ( 0.375 2.495 -13.262) 13.500 7.353 ( 1.609 1.338 -10.942) 11.140 8.348 ( -4.913 3.104 14.948) 16.038 8.603 ( 5.986 -1.463 8.257) 10.302 8.672 ( 7.854 -0.868 5.662) 9.721 8.724 ( 8.597 0.255 8.854) 12.343 9.550 ( -25.252 1.317 -0.997) 25.306 9.606 ( -26.256 0.208 -2.226) 26.351 10.231 ( 6.122 1.217 -3.576) 7.194 10.361 ( 7.452 -1.656 -5.051) 9.154 11.633 ( 57.697 3.582 0.217) 57.809 12.280 ( 5.053 2.736 1.014) 5.835 12.477 ( 10.712 -3.846 -2.493) 11.652 12.701 ( 39.573 -24.236 -9.259) 47.320 12.936 ( 3.616 -0.875 -0.828) 3.811 13.083 ( 66.025 -28.693 -22.769) 75.505 14.009 ( -4.496 1.670 0.619) 4.836 14.125 ( -2.163 -1.082 -0.652) 2.505 15.311 ( 3.687 1.999 0.514) 4.226 15.451 ( 5.122 4.211 -7.727) 10.182 15.611 ( 14.621 40.271 -52.116) 67.466 16.359 ( -11.594 -0.452 -13.523) 17.819 16.766 ( -2.538 3.070 -1.085) 4.129 17.135 ( -4.553 -3.616 -13.992) 15.152 18.294 ( -6.445 4.440 17.447) 19.122 18.912 ( -13.651 -12.776 14.206) 23.482 20.958 ( 3.084 1.314 10.588) 11.106 21.472 ( -17.097 -19.400 34.511) 43.124 21.669 ( -2.892 1.137 1.670) 3.528 21.924 ( -2.472 -7.257 4.264) 8.772 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.22 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 19.724 8.871 -4.437) 22.078 1.298 ( 10.895 29.160 8.101) 32.166 1.868 ( 6.661 -14.425 -5.590) 16.843 2.116 ( 1.013 3.852 -1.311) 4.194 2.171 ( 6.061 1.146 0.627) 6.200 2.258 ( 12.691 1.517 14.658) 19.448 2.347 ( 6.226 1.833 7.764) 10.120 2.557 ( 0.145 -0.686 2.242) 2.349 2.673 ( -4.426 0.566 7.256) 8.518 2.954 ( 7.807 10.463 -3.633) 13.550 3.037 ( 15.067 3.227 -2.813) 15.663 3.126 ( -0.134 3.538 0.323) 3.555 3.211 ( -3.246 -8.109 0.380) 8.743 3.223 ( -3.137 0.571 0.127) 3.191 3.449 ( 19.695 -1.822 -2.133) 19.893 3.535 ( 1.334 -0.604 -2.863) 3.215 3.640 ( -4.014 0.269 -1.829) 4.419 3.737 ( 3.389 -3.880 1.090) 5.266 3.772 ( -2.718 1.363 0.771) 3.137 3.871 ( 3.714 2.864 -6.715) 8.191 3.903 ( 1.922 -5.159 4.830) 7.324 3.966 ( 8.312 0.534 -0.588) 8.350 4.064 ( 2.454 -1.967 -1.383) 3.436 4.184 ( 1.873 -0.966 1.638) 2.669 4.261 ( 7.335 -1.310 0.080) 7.451 4.375 ( 11.752 -1.125 4.201) 12.531 4.416 ( 9.862 -3.684 -1.441) 10.625 4.474 ( 0.600 -1.918 -1.875) 2.748 4.507 ( 10.963 -0.616 4.319) 11.799 4.620 ( 3.191 -3.961 -4.672) 6.906 4.682 ( 9.441 -3.275 -2.855) 10.392 4.763 ( 2.946 -1.230 0.292) 3.205 4.871 ( 6.068 -0.727 -2.327) 6.540 4.970 ( -2.443 -6.417 4.923) 8.449 5.254 ( -1.944 7.028 0.776) 7.333 5.376 ( -5.061 1.091 -4.187) 6.659 5.496 ( 1.274 6.871 -1.006) 7.060 5.596 ( 2.527 3.062 -2.295) 4.586 5.822 ( -1.307 2.763 -3.139) 4.382 5.963 ( 1.812 -1.021 -3.358) 3.950 6.446 ( -4.394 0.722 -0.753) 4.517 6.523 ( -3.123 -1.074 -1.096) 3.480 7.372 ( 4.522 2.062 -8.037) 9.449 7.418 ( 5.486 0.612 -7.449) 9.271 8.219 ( -8.187 2.804 14.537) 16.918 8.515 ( -8.733 -4.819 10.270) 14.316 8.908 ( -5.316 2.097 -2.809) 6.368 8.989 ( -18.854 0.510 -1.589) 18.928 9.030 ( -18.374 1.127 0.294) 18.411 9.125 ( 15.489 -1.470 -0.125) 15.559 10.276 ( -1.238 1.659 -4.275) 4.750 10.444 ( 0.963 -2.314 -5.922) 6.431 12.409 ( 8.395 3.410 0.969) 9.113 12.681 ( 12.246 -3.073 -2.159) 12.809 12.802 ( 8.299 -0.663 1.282) 8.424 12.863 ( 26.288 -1.941 1.071) 26.381 13.064 ( 40.798 8.765 -0.778) 41.736 13.911 ( -4.006 1.997 0.628) 4.520 14.071 ( -1.853 -1.946 -0.982) 2.861 14.171 ( 21.696 -25.426 -0.089) 33.424 15.406 ( 6.051 2.969 0.939) 6.805 15.610 ( 10.888 -1.239 -5.485) 12.255 16.038 ( -15.817 2.191 -17.346) 23.577 16.102 ( 27.414 5.006 -62.091) 68.057 16.711 ( -1.983 4.052 -3.217) 5.541 17.022 ( -6.690 -2.680 -10.714) 12.913 18.114 ( -12.559 3.602 14.172) 19.275 18.595 ( -18.551 -9.208 15.617) 25.939 21.041 ( 5.443 0.545 8.711) 10.286 21.250 ( -5.972 -6.062 25.215) 26.612 21.594 ( -4.998 1.524 1.491) 5.433 21.826 ( -7.259 -4.716 3.001) 9.162 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 21.719 5.394 -11.522) 25.171 1.532 ( 13.229 21.711 4.950) 25.902 2.006 ( 5.076 -7.170 -7.396) 11.483 2.124 ( 2.969 1.991 -3.264) 4.840 2.271 ( 5.310 1.548 -1.142) 5.648 2.375 ( -2.676 1.442 12.913) 13.266 2.393 ( 3.693 5.545 1.886) 6.924 2.560 ( -3.309 -4.393 4.531) 7.126 2.605 ( 0.653 0.805 3.199) 3.363 2.960 ( -6.599 3.028 -3.233) 7.947 3.047 ( -3.526 3.740 -3.039) 5.971 3.094 ( -1.127 0.663 -1.370) 1.894 3.179 ( 6.041 -0.001 -2.555) 6.559 3.322 ( -5.378 -1.235 -7.620) 9.408 3.497 ( -7.657 -2.317 -0.745) 8.035 3.565 ( -3.359 0.190 2.392) 4.128 3.637 ( -8.144 -1.274 1.568) 8.391 3.657 ( -7.199 6.183 -0.059) 9.490 3.700 ( 7.678 -2.825 2.020) 8.427 3.954 ( 5.044 0.402 -9.367) 10.646 4.007 ( 7.219 -4.811 2.614) 9.060 4.060 ( -1.492 -1.271 0.790) 2.113 4.097 ( 7.481 1.085 1.370) 7.683 4.235 ( 2.961 0.601 0.003) 3.022 4.270 ( -2.889 -0.373 3.457) 4.520 4.430 ( -1.946 -2.375 1.257) 3.318 4.557 ( 1.619 -11.035 -1.031) 11.201 4.640 ( 3.771 -9.568 2.997) 10.712 4.742 ( 4.603 1.205 -5.484) 7.260 4.837 ( 7.903 -2.547 -3.972) 9.205 4.898 ( 3.943 0.956 -1.448) 4.308 4.950 ( 10.340 -1.618 1.297) 10.546 5.107 ( 21.302 3.136 3.158) 21.762 5.121 ( 35.165 1.426 -1.876) 35.244 5.297 ( 9.276 2.638 -0.395) 9.652 5.405 ( 12.778 -0.984 -1.681) 12.926 5.540 ( 3.798 6.268 -0.892) 7.382 5.638 ( 1.096 2.226 -3.306) 4.134 5.908 ( 11.373 2.248 0.135) 11.594 6.085 ( 11.721 -2.046 -1.550) 11.999 6.321 ( -8.367 0.908 4.456) 9.523 6.424 ( -6.921 -1.412 2.500) 7.492 7.487 ( 7.502 2.585 -1.386) 8.055 7.569 ( 10.289 0.293 -3.713) 10.942 8.040 ( -12.099 0.420 11.775) 16.888 8.166 ( -37.967 -2.588 1.394) 38.080 8.282 ( -38.592 1.932 -0.097) 38.641 8.395 ( -16.814 -0.221 5.827) 17.797 9.341 ( 20.023 2.196 -3.283) 20.408 9.554 ( 22.549 -2.931 -5.197) 23.325 10.191 ( -7.629 2.015 -4.971) 9.326 10.398 ( -5.776 -2.932 -6.864) 9.438 12.576 ( 8.765 3.860 1.093) 9.639 12.836 ( 2.846 0.677 -0.123) 2.928 12.893 ( 6.676 -3.305 -1.293) 7.560 12.910 ( -1.892 -1.032 0.210) 2.166 13.873 ( 0.662 2.903 0.982) 3.136 14.086 ( 5.951 -2.079 -1.383) 6.453 14.264 ( 24.931 -0.150 4.100) 25.266 14.265 ( 25.012 -0.171 4.012) 25.332 15.526 ( 6.031 4.832 1.096) 7.805 15.615 ( -21.616 9.421 -10.228) 25.702 15.840 ( 12.793 -2.745 -3.807) 13.626 16.436 ( -1.300 -6.943 -16.356) 17.816 16.847 ( 8.429 -0.617 -17.938) 19.830 16.980 ( 14.130 -4.147 -20.571) 25.298 17.813 ( -19.428 3.183 9.358) 21.798 18.234 ( -19.421 -7.534 9.062) 22.717 21.152 ( 5.838 0.005 8.270) 10.123 21.224 ( 2.737 -1.854 13.772) 14.163 21.486 ( -6.206 1.314 2.591) 6.852 21.668 ( -9.067 -3.153 2.753) 9.986 ======================= Grid point 58 (25/60) ======================= q-point: ( 0.44 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 11.414 13.555 3.423) 18.048 1.836 ( 17.803 2.533 -8.875) 20.054 1.970 ( -4.693 7.670 0.518) 9.007 2.189 ( -14.305 1.611 0.512) 14.404 2.302 ( 11.535 -4.690 -8.300) 14.965 2.368 ( 4.286 1.328 -2.704) 5.239 2.437 ( -1.493 2.544 -2.537) 3.891 2.492 ( -4.737 -3.629 -0.829) 6.025 2.666 ( 6.145 3.245 2.572) 7.410 2.815 ( -8.492 4.384 1.917) 9.747 3.038 ( 2.889 4.214 -3.439) 6.159 3.099 ( 4.366 -5.124 -1.576) 6.914 3.163 ( -8.633 0.537 -4.275) 9.648 3.259 ( -7.231 -1.042 -2.326) 7.667 3.388 ( 4.049 4.604 0.691) 6.170 3.439 ( -2.264 -3.500 -3.740) 5.600 3.483 ( -6.578 -4.178 -0.544) 7.812 3.531 ( -6.993 7.811 -1.229) 10.556 3.880 ( 7.954 -1.884 5.102) 9.635 3.995 ( -4.332 -2.402 2.418) 5.512 4.045 ( 3.924 0.080 -3.988) 5.595 4.088 ( 0.845 -0.350 -2.282) 2.459 4.221 ( -0.099 -2.590 1.076) 2.806 4.234 ( 1.162 -1.393 -1.951) 2.664 4.285 ( 4.876 1.220 2.848) 5.777 4.379 ( -3.751 -0.797 2.631) 4.650 4.588 ( 1.872 -11.233 1.262) 11.457 4.626 ( -2.152 -11.330 2.490) 11.798 4.816 ( 3.558 2.397 -1.817) 4.659 4.876 ( -2.533 3.319 -0.308) 4.187 4.938 ( 2.791 -4.510 -0.930) 5.385 4.984 ( -1.858 -3.077 0.364) 3.613 5.371 ( 10.416 5.804 -2.510) 12.185 5.463 ( 4.975 4.135 -4.051) 7.633 5.504 ( 1.103 4.000 -2.850) 5.034 5.597 ( -3.610 1.538 -4.125) 5.694 5.824 ( 19.598 1.475 3.919) 20.040 5.916 ( 23.393 -0.802 1.429) 23.450 6.099 ( -9.346 1.244 4.804) 10.582 6.218 ( -9.478 -1.472 0.989) 9.642 6.419 ( 38.697 0.844 2.307) 38.775 6.559 ( 36.574 -2.440 0.247) 36.656 7.312 ( -48.643 0.183 0.198) 48.644 7.388 ( -45.218 -2.125 -0.502) 45.271 7.650 ( 9.122 3.782 4.112) 10.697 7.763 ( 3.041 3.369 1.856) 4.904 7.950 ( -0.194 -0.345 8.432) 8.441 8.136 ( -13.247 -2.756 5.548) 14.624 9.701 ( 17.512 2.374 -4.999) 18.365 9.942 ( 17.957 -3.384 -7.095) 19.602 9.993 ( -13.052 2.271 -5.372) 14.296 10.228 ( -12.101 -3.338 -7.442) 14.593 12.725 ( 6.728 3.044 1.045) 7.458 12.831 ( -4.432 1.246 0.633) 4.647 12.904 ( 3.122 -0.394 -0.120) 3.149 12.951 ( -0.797 -2.273 -0.916) 2.577 13.937 ( 6.189 4.467 1.709) 7.822 14.096 ( -9.543 5.414 3.116) 11.406 14.352 ( 19.769 -6.419 -2.091) 20.890 14.721 ( -10.907 -14.800 -0.927) 18.409 15.481 ( 10.330 20.015 -2.719) 22.687 15.601 ( 0.242 9.000 0.996) 9.058 16.083 ( 12.496 -3.361 -4.274) 13.627 16.302 ( -10.218 -3.973 -5.896) 12.448 16.978 ( 14.396 2.197 -2.381) 14.756 17.368 ( -15.254 1.714 0.134) 15.351 17.447 ( 14.824 -7.337 -14.537) 22.020 17.856 ( -20.750 -8.007 -2.784) 22.415 21.254 ( 5.412 0.452 8.144) 9.788 21.333 ( 7.535 -1.424 5.549) 9.466 21.366 ( -6.109 0.943 4.862) 7.865 21.494 ( -9.010 -2.109 3.472) 9.883 ======================= Grid point 63 (26/60) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.000 15.380 14.376) 21.052 1.027 ( 0.000 18.811 11.174) 21.879 1.298 ( 0.000 -14.772 10.547) 18.151 1.443 ( 0.000 -20.525 7.951) 22.011 2.082 ( 0.000 38.141 11.163) 39.741 2.226 ( 0.000 6.281 3.393) 7.138 2.346 ( 0.000 -1.661 2.530) 3.026 2.526 ( 0.000 9.015 1.934) 9.220 2.647 ( 0.000 -7.740 1.412) 7.868 2.817 ( 0.000 -17.469 3.845) 17.887 2.835 ( 0.000 -8.470 -2.485) 8.827 2.853 ( 0.000 -1.110 -3.338) 3.518 3.221 ( 0.000 7.510 -4.222) 8.616 3.269 ( 0.000 -0.223 8.285) 8.288 3.331 ( 0.000 5.447 1.546) 5.662 3.463 ( 0.000 -3.297 1.354) 3.564 3.489 ( 0.000 4.874 4.307) 6.504 3.552 ( 0.000 -3.002 4.236) 5.192 3.589 ( 0.000 0.261 2.888) 2.899 3.661 ( 0.000 -4.018 -9.126) 9.972 3.797 ( 0.000 1.983 2.312) 3.046 3.870 ( 0.000 -2.272 -0.586) 2.346 3.983 ( 0.000 4.217 3.430) 5.435 4.064 ( 0.000 -3.218 -0.646) 3.282 4.200 ( 0.000 -0.754 0.241) 0.791 4.252 ( 0.000 -4.257 -0.346) 4.271 4.336 ( 0.000 1.677 2.820) 3.281 4.363 ( 0.000 -1.636 4.382) 4.677 4.533 ( 0.000 -2.792 -0.446) 2.828 4.537 ( 0.000 -1.591 1.210) 1.998 4.574 ( 0.000 5.311 1.167) 5.438 4.672 ( 0.000 5.793 1.750) 6.051 4.696 ( 0.000 -5.631 -4.204) 7.027 4.871 ( 0.000 -15.304 12.426) 19.713 5.433 ( 0.000 2.806 -6.531) 7.108 5.452 ( 0.000 0.672 -6.596) 6.630 5.924 ( 0.000 6.240 -8.486) 10.533 5.933 ( 0.000 4.713 -16.089) 16.765 6.048 ( 0.000 -0.664 -3.601) 3.661 6.055 ( 0.000 -2.194 -6.641) 6.994 6.478 ( 0.000 0.174 -11.351) 11.353 6.484 ( 0.000 -0.457 -12.377) 12.386 7.364 ( 0.000 1.516 -15.448) 15.522 7.384 ( 0.000 -0.343 -19.419) 19.422 8.433 ( 0.000 3.064 10.114) 10.568 8.490 ( 0.000 -2.622 8.056) 8.472 8.590 ( 0.000 6.786 18.362) 19.576 8.736 ( 0.000 -7.424 21.266) 22.525 9.882 ( 0.000 2.063 -1.511) 2.557 9.926 ( 0.000 -2.255 -1.983) 3.003 10.129 ( 0.000 3.529 -4.619) 5.813 10.193 ( 0.000 -2.908 -4.896) 5.695 11.035 ( 0.000 0.011 0.022) 0.024 11.035 ( 0.000 -0.023 0.005) 0.023 12.291 ( 0.000 3.682 0.667) 3.742 12.361 ( 0.000 -3.446 0.071) 3.446 12.898 ( 0.000 0.269 -0.313) 0.412 12.902 ( 0.000 -0.131 -0.159) 0.206 14.089 ( 0.000 1.847 0.164) 1.854 14.123 ( 0.000 -1.518 -0.230) 1.536 15.318 ( 0.000 2.605 0.118) 2.608 15.369 ( 0.000 -2.562 -0.373) 2.589 16.200 ( 0.000 21.119 -42.927) 47.841 16.418 ( 0.000 -5.112 -22.989) 23.550 16.896 ( 0.000 8.155 -7.274) 10.928 17.064 ( 0.000 -8.087 -14.842) 16.902 18.498 ( 0.000 10.186 21.379) 23.682 18.745 ( 0.000 -15.410 21.537) 26.483 20.991 ( 0.000 5.516 17.407) 18.260 21.183 ( 0.000 -16.589 30.096) 34.365 21.757 ( 0.000 4.180 0.615) 4.225 21.841 ( 0.000 -4.367 1.717) 4.692 ======================= Grid point 64 (27/60) ======================= q-point: ( 0.11 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 8.737 18.780 3.905) 21.077 1.395 ( 11.252 -14.320 2.907) 18.443 1.518 ( 26.398 8.593 10.334) 29.622 1.733 ( 27.402 -10.929 11.264) 31.578 2.132 ( 5.843 26.294 7.800) 28.043 2.228 ( 1.344 9.615 4.990) 10.915 2.313 ( -2.752 -1.598 0.777) 3.276 2.594 ( 4.335 4.759 2.754) 7.002 2.696 ( 3.534 -3.802 2.694) 5.848 2.812 ( 4.648 -7.624 3.731) 9.677 2.864 ( 0.860 -9.044 2.770) 9.498 2.915 ( 11.597 -6.446 -0.861) 13.296 3.215 ( 1.148 10.740 -6.645) 12.682 3.295 ( -0.390 0.377 0.671) 0.863 3.351 ( -2.763 1.928 -2.115) 3.979 3.435 ( 3.143 -1.191 1.039) 3.518 3.586 ( 6.292 -1.015 3.101) 7.087 3.602 ( 4.978 -3.598 -0.718) 6.184 3.747 ( 6.968 -1.622 -0.916) 7.213 3.750 ( 3.117 0.854 4.237) 5.329 3.765 ( 10.304 2.003 -0.109) 10.498 3.876 ( 0.537 -6.069 0.507) 6.114 3.984 ( 0.885 7.589 2.897) 8.171 4.066 ( 1.888 -1.009 1.123) 2.418 4.183 ( -2.000 -0.943 3.226) 3.911 4.249 ( -1.057 -6.084 -1.388) 6.329 4.369 ( 2.506 1.977 0.466) 3.226 4.399 ( 5.086 -0.959 -0.979) 5.267 4.491 ( -3.662 -2.445 -1.813) 4.762 4.494 ( -2.758 -3.079 0.122) 4.135 4.595 ( -0.097 4.322 2.958) 5.238 4.665 ( 1.013 -1.671 -1.959) 2.766 4.748 ( 4.667 0.320 0.344) 4.691 4.864 ( 0.037 -11.043 9.581) 14.620 5.441 ( -0.251 3.310 -8.359) 8.994 5.468 ( 0.270 0.322 -8.693) 8.703 5.714 ( -13.949 6.760 -6.573) 16.837 5.756 ( -12.492 2.223 -4.719) 13.537 5.968 ( -6.148 2.224 -3.620) 7.473 5.993 ( -5.766 -0.761 -5.676) 8.127 6.497 ( 0.617 0.813 -7.685) 7.752 6.515 ( 1.345 -1.077 -7.531) 7.725 7.361 ( 0.482 1.373 -13.787) 13.863 7.373 ( 0.585 0.255 -13.441) 13.456 8.435 ( -4.459 5.745 15.215) 16.863 8.546 ( -2.584 -5.049 13.387) 14.539 8.670 ( 12.593 1.343 6.304) 14.147 8.706 ( 9.013 -1.876 9.339) 13.114 9.581 ( -25.054 1.624 -1.694) 25.164 9.603 ( -25.621 -0.626 -2.007) 25.707 10.267 ( 6.543 2.482 -4.414) 8.274 10.319 ( 6.910 -2.674 -4.867) 8.865 11.760 ( 65.384 10.460 -1.206) 66.226 12.078 ( 78.390 -24.298 -6.809) 82.351 12.349 ( 6.099 4.266 0.641) 7.470 12.433 ( 8.076 -4.443 0.084) 9.218 12.927 ( 4.623 0.357 -0.977) 4.739 12.943 ( 5.840 -1.340 -1.338) 6.139 14.050 ( -3.759 2.429 0.284) 4.484 14.094 ( -2.845 -2.064 -0.219) 3.521 15.361 ( 4.460 3.064 0.063) 5.411 15.420 ( 5.276 -2.891 -0.670) 6.053 16.169 ( -2.772 16.033 -42.225) 45.252 16.329 ( -9.167 -3.405 -22.423) 24.463 16.873 ( -2.336 7.952 -7.514) 11.187 17.030 ( -3.510 -7.376 -13.611) 15.874 18.424 ( -7.668 9.228 20.179) 23.476 18.644 ( -10.008 -13.638 21.188) 27.112 21.008 ( 1.860 4.367 15.807) 16.504 21.152 ( -2.260 -11.736 26.261) 28.853 21.727 ( -3.040 4.163 0.782) 5.214 21.816 ( -2.849 -4.990 1.753) 6.008 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.22 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 14.841 14.270 -5.527) 21.317 1.566 ( 9.849 -16.301 -5.987) 19.964 1.868 ( 10.499 25.285 5.709) 27.967 2.144 ( 12.665 -4.713 7.654) 15.530 2.201 ( 2.437 3.232 -1.326) 4.260 2.269 ( 1.306 -3.467 0.283) 3.716 2.376 ( 8.544 8.789 10.175) 15.930 2.565 ( -4.940 -2.906 4.218) 7.116 2.690 ( -2.687 2.373 7.831) 8.612 2.860 ( -0.619 -16.801 4.964) 17.530 3.146 ( 10.605 5.288 -2.575) 12.127 3.183 ( -0.054 3.128 -3.571) 4.747 3.255 ( 3.207 7.515 0.448) 8.183 3.272 ( 7.502 4.794 3.474) 9.557 3.394 ( 17.532 -1.438 -3.383) 17.913 3.485 ( 1.765 -4.223 -3.167) 5.565 3.609 ( -3.608 -1.792 -1.015) 4.155 3.665 ( 1.907 -4.729 -2.004) 5.479 3.805 ( 3.034 0.184 2.245) 3.779 3.832 ( 0.086 -1.937 3.127) 3.680 3.947 ( 0.709 5.084 1.655) 5.394 4.001 ( 9.251 2.398 -2.429) 9.860 4.019 ( 3.560 0.511 -3.187) 4.805 4.182 ( 6.572 -2.493 -0.413) 7.041 4.204 ( 6.726 -4.457 3.535) 8.810 4.251 ( 4.097 -5.073 -1.240) 6.637 4.410 ( 4.185 0.140 0.964) 4.296 4.425 ( -0.707 -1.966 1.082) 2.353 4.517 ( 9.891 1.115 1.413) 10.053 4.546 ( 9.769 -2.645 -1.290) 10.202 4.639 ( 7.100 -0.031 -6.808) 9.837 4.690 ( 2.224 -4.783 -1.342) 5.443 4.880 ( 9.581 1.293 1.125) 9.734 4.907 ( 4.796 -1.424 1.915) 5.357 5.360 ( -5.996 3.699 -4.198) 8.201 5.393 ( -6.507 0.030 -6.304) 9.060 5.608 ( 0.669 4.126 -0.454) 4.204 5.640 ( 0.494 0.729 -0.596) 1.063 5.882 ( -0.975 3.207 -3.303) 4.706 5.934 ( 0.395 -2.077 -3.299) 3.918 6.466 ( -4.033 1.400 -0.944) 4.373 6.496 ( -3.517 -1.595 -1.084) 4.011 7.410 ( 4.797 1.544 -8.553) 9.927 7.425 ( 5.067 -0.064 -8.020) 9.487 8.296 ( -9.183 5.175 14.530) 17.951 8.407 ( -9.812 -6.077 13.136) 17.486 8.950 ( -5.663 2.212 -2.944) 6.755 8.985 ( -14.185 -1.165 -3.012) 14.548 9.059 ( -9.554 1.781 1.222) 9.795 9.093 ( 3.006 -1.762 0.995) 3.623 10.322 ( -0.694 3.069 -4.962) 5.875 10.387 ( 0.119 -3.453 -5.539) 6.528 12.496 ( 9.574 5.354 0.143) 10.970 12.600 ( 11.050 -5.177 -1.018) 12.245 12.803 ( 10.305 0.859 1.245) 10.415 12.829 ( 10.660 -1.676 1.111) 10.848 13.288 ( 55.397 15.126 -1.914) 57.456 13.658 ( 52.033 -23.729 -3.270) 57.282 13.973 ( -3.359 3.128 0.567) 4.624 14.032 ( -2.909 -2.813 -0.187) 4.051 15.479 ( 7.710 4.347 -0.110) 8.852 15.559 ( 9.153 -3.742 -1.706) 10.035 16.093 ( -13.556 3.196 -21.416) 25.546 16.140 ( 0.256 -0.977 -37.713) 37.726 16.823 ( -2.032 6.908 -9.170) 11.659 16.945 ( -4.803 -5.390 -10.916) 13.088 18.219 ( -13.681 7.462 16.233) 22.503 18.395 ( -15.685 -10.593 17.794) 25.978 21.064 ( 4.115 2.200 12.337) 13.189 21.134 ( 0.778 -5.165 18.684) 19.400 21.646 ( -5.453 3.774 1.259) 6.751 21.731 ( -6.071 -4.924 1.849) 8.033 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 17.731 9.267 -11.341) 22.998 1.773 ( 11.602 -8.952 -10.424) 17.984 2.036 ( 7.903 20.391 3.389) 22.130 2.202 ( 1.353 3.341 -1.343) 3.847 2.289 ( 3.628 -0.113 -0.771) 3.710 2.360 ( -0.255 -6.024 8.707) 10.590 2.459 ( 1.083 2.964 8.357) 8.933 2.509 ( 1.528 -0.082 -0.212) 1.545 2.640 ( -0.602 3.727 4.919) 6.201 2.836 ( -0.886 -15.604 0.093) 15.630 3.077 ( -5.242 4.630 -4.423) 8.275 3.121 ( -2.584 1.863 -1.245) 3.420 3.291 ( -6.046 1.233 -6.283) 8.806 3.345 ( -3.115 0.765 -4.201) 5.286 3.466 ( 0.343 7.059 0.907) 7.126 3.569 ( -8.710 0.015 1.994) 8.936 3.600 ( -10.056 -1.426 0.335) 10.162 3.656 ( 9.440 -3.431 3.116) 10.516 3.825 ( 0.377 5.212 -1.425) 5.417 3.897 ( 7.457 -0.851 3.525) 8.292 3.935 ( 3.106 -2.300 -3.615) 5.292 4.028 ( -1.779 -2.146 0.208) 2.795 4.122 ( 4.056 1.762 -1.686) 4.733 4.241 ( -0.406 -6.140 -0.783) 6.203 4.269 ( 2.242 0.482 -0.996) 2.500 4.319 ( 2.679 -3.710 3.066) 5.508 4.399 ( -1.425 -1.739 2.175) 3.128 4.462 ( -1.435 -7.557 5.660) 9.550 4.757 ( 5.710 0.626 -6.209) 8.459 4.779 ( 6.592 -2.039 -6.196) 9.274 4.933 ( 7.883 1.370 -2.059) 8.262 4.942 ( 11.022 0.138 -1.649) 11.146 5.142 ( 36.102 2.400 -1.206) 36.202 5.175 ( 28.033 0.359 -0.876) 28.049 5.333 ( 7.202 2.483 0.106) 7.618 5.383 ( 8.208 -1.918 0.077) 8.430 5.639 ( 1.932 3.557 -0.981) 4.165 5.669 ( 1.312 0.376 -1.775) 2.239 5.964 ( 10.562 3.493 -0.630) 11.142 6.032 ( 10.802 -3.366 -1.274) 11.386 6.348 ( -8.065 1.868 3.662) 9.052 6.388 ( -7.477 -2.144 2.928) 8.311 7.539 ( 8.702 2.373 -2.098) 9.261 7.568 ( 9.858 -0.659 -2.889) 10.294 8.061 ( -20.229 1.801 8.855) 22.156 8.108 ( -28.916 -3.035 5.243) 29.544 8.330 ( -32.233 2.762 2.157) 32.423 8.376 ( -25.269 -1.806 4.186) 25.677 9.401 ( 20.615 3.890 -3.771) 21.314 9.482 ( 21.593 -4.342 -4.505) 22.481 10.246 ( -7.150 3.736 -5.640) 9.844 10.326 ( -6.447 -4.289 -6.330) 10.002 12.675 ( 8.613 6.108 0.215) 10.561 12.793 ( 8.235 -5.800 -1.034) 10.126 12.863 ( 1.611 1.131 0.512) 2.034 12.888 ( -0.216 -1.332 0.347) 1.394 13.945 ( 2.016 4.345 0.334) 4.801 14.027 ( 4.011 -3.943 -0.450) 5.642 14.262 ( 11.343 0.057 4.516) 12.209 14.264 ( 33.624 -0.133 3.528) 33.809 15.641 ( 8.997 6.575 -0.594) 11.159 15.757 ( 11.148 -4.903 -3.052) 12.555 15.875 ( -5.662 16.163 -15.802) 23.303 16.205 ( 3.166 -16.416 -21.691) 27.387 16.855 ( 5.837 1.693 -12.305) 13.724 16.905 ( 5.029 -3.350 -11.295) 12.810 17.907 ( -19.351 6.742 9.960) 22.784 18.064 ( -19.150 -9.277 10.313) 23.647 21.159 ( 5.562 0.783 9.446) 10.990 21.185 ( 4.581 -1.916 11.384) 12.419 21.528 ( -6.799 3.022 2.286) 7.783 21.596 ( -7.814 -3.949 2.368) 9.070 ======================= Grid point 67 (30/60) ======================= q-point: ( 0.44 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 16.067 5.057 -8.666) 18.942 1.979 ( 9.444 1.839 -4.845) 10.773 2.108 ( -2.355 7.550 0.894) 7.959 2.205 ( -11.191 -1.161 1.446) 11.344 2.283 ( 8.066 3.738 -4.018) 9.756 2.373 ( 4.540 -3.465 -1.109) 5.817 2.421 ( -5.387 2.800 -2.948) 6.749 2.490 ( -5.422 -0.952 -2.250) 5.947 2.741 ( 9.745 5.759 2.928) 11.692 2.902 ( 4.696 -4.951 0.054) 6.823 2.957 ( -4.814 1.624 1.755) 5.375 3.097 ( -5.252 -5.696 -1.213) 7.842 3.166 ( -0.982 5.058 -4.410) 6.782 3.242 ( -3.731 -0.467 -2.306) 4.410 3.349 ( -8.912 -3.011 -2.579) 9.754 3.386 ( -8.811 -4.953 -0.944) 10.151 3.591 ( 7.924 13.709 -0.922) 15.861 3.737 ( -6.935 12.231 -1.224) 14.113 3.811 ( 6.724 -6.793 1.229) 9.637 3.923 ( -4.900 -6.011 -0.396) 7.766 4.033 ( 5.950 0.433 3.401) 6.867 4.076 ( 4.085 -1.464 -0.556) 4.375 4.146 ( -0.960 -3.439 1.946) 4.066 4.191 ( -3.491 -5.654 -2.120) 6.975 4.321 ( 2.801 2.786 1.362) 4.178 4.357 ( -0.059 -0.502 2.698) 2.745 4.394 ( 1.087 -5.393 0.239) 5.507 4.423 ( -1.812 -7.600 2.631) 8.244 4.851 ( 4.430 1.414 -2.821) 5.439 4.878 ( 4.286 -1.696 -2.492) 5.240 4.927 ( -3.237 1.793 -1.754) 4.095 4.953 ( -3.427 -1.016 -1.306) 3.806 5.467 ( 9.369 3.931 -1.307) 10.243 5.507 ( 8.128 0.067 -1.491) 8.264 5.579 ( -1.423 3.270 -4.027) 5.379 5.614 ( -2.054 -0.278 -3.971) 4.480 5.858 ( 19.912 1.948 3.090) 20.244 5.893 ( 21.745 -1.581 2.092) 21.903 6.133 ( -10.014 2.277 3.310) 10.790 6.180 ( -10.037 -2.412 1.911) 10.498 6.448 ( 38.660 2.297 1.769) 38.768 6.503 ( 37.531 -3.194 1.010) 37.680 7.322 ( -47.283 0.897 0.293) 47.292 7.348 ( -45.643 -1.848 0.094) 45.680 7.734 ( 11.135 4.429 3.734) 12.552 7.795 ( 11.839 -1.153 2.227) 12.101 7.975 ( -11.847 3.613 8.192) 14.850 8.063 ( -13.560 -4.692 6.531) 15.766 9.766 ( 17.588 4.347 -5.590) 18.960 9.858 ( 17.778 -4.970 -6.383) 19.532 10.056 ( -12.818 4.228 -6.018) 14.778 10.146 ( -12.442 -4.869 -6.790) 14.987 12.801 ( 4.636 4.619 0.337) 6.553 12.861 ( -1.908 1.669 0.274) 2.550 12.887 ( 1.593 -3.065 -0.367) 3.474 12.891 ( 1.031 -2.242 -0.011) 2.468 14.053 ( 9.067 7.348 0.776) 11.696 14.204 ( 13.187 -7.371 -0.697) 15.123 14.244 ( -8.050 8.734 2.567) 12.152 14.456 ( -8.163 -12.675 1.211) 15.125 15.801 ( 6.996 10.778 -1.378) 12.923 15.865 ( 0.920 18.822 -6.138) 19.819 15.981 ( 10.981 -7.343 -3.172) 13.585 16.162 ( -7.182 -11.343 -6.879) 15.085 17.055 ( 18.536 6.279 -5.096) 20.223 17.224 ( 23.045 -10.940 -11.344) 27.919 17.489 ( -24.129 7.570 2.414) 25.404 17.669 ( -22.557 -10.546 0.040) 24.901 21.269 ( 6.247 1.235 7.099) 9.537 21.300 ( 7.116 -1.841 6.067) 9.531 21.396 ( -6.956 2.138 4.209) 8.407 21.444 ( -7.989 -2.810 3.674) 9.231 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.000 0.000 21.179) 21.179 1.115 ( 0.000 0.000 23.526) 23.526 1.700 ( 0.000 0.000 36.758) 36.758 1.928 ( 0.000 0.000 1.291) 1.291 1.959 ( 0.000 0.000 -8.093) 8.093 2.153 ( 0.000 0.000 3.063) 3.063 2.247 ( 0.000 0.000 12.094) 12.094 2.390 ( 0.000 0.000 0.585) 0.585 2.573 ( 0.000 0.000 -6.749) 6.749 2.640 ( 0.000 0.000 -0.579) 0.579 2.757 ( 0.000 0.000 -4.544) 4.544 2.861 ( 0.000 0.000 -1.148) 1.148 3.099 ( 0.000 0.000 -4.997) 4.997 3.372 ( 0.000 0.000 1.915) 1.915 3.381 ( 0.000 0.000 -0.172) 0.172 3.551 ( 0.000 0.000 15.808) 15.808 3.640 ( 0.000 0.000 2.330) 2.330 3.670 ( 0.000 0.000 1.338) 1.338 3.729 ( 0.000 0.000 11.898) 11.898 3.849 ( 0.000 0.000 -12.331) 12.331 3.905 ( 0.000 0.000 -12.860) 12.860 3.918 ( 0.000 0.000 -4.030) 4.030 3.925 ( 0.000 0.000 5.637) 5.637 3.962 ( 0.000 0.000 6.763) 6.763 4.312 ( 0.000 0.000 0.378) 0.378 4.320 ( 0.000 0.000 -9.141) 9.141 4.371 ( 0.000 0.000 0.654) 0.654 4.569 ( 0.000 0.000 -12.036) 12.036 4.576 ( 0.000 0.000 12.056) 12.056 4.595 ( 0.000 0.000 11.701) 11.701 4.618 ( 0.000 0.000 8.521) 8.521 4.697 ( 0.000 0.000 0.234) 0.234 4.877 ( 0.000 0.000 -7.267) 7.267 5.013 ( 0.000 0.000 -2.175) 2.175 5.312 ( 0.000 0.000 -0.658) 0.658 5.350 ( 0.000 0.000 -3.188) 3.188 5.473 ( 0.000 0.000 -6.794) 6.794 5.542 ( 0.000 0.000 -5.399) 5.399 5.846 ( 0.000 0.000 -17.000) 17.000 6.102 ( 0.000 0.000 -17.025) 17.025 6.221 ( 0.000 0.000 0.715) 0.715 6.297 ( 0.000 0.000 -5.067) 5.067 7.027 ( 0.000 0.000 -9.837) 9.837 7.097 ( 0.000 0.000 -9.681) 9.681 8.673 ( 0.000 0.000 13.853) 13.853 8.687 ( 0.000 0.000 11.436) 11.436 8.773 ( 0.000 0.000 9.923) 9.923 8.907 ( 0.000 0.000 7.720) 7.720 9.883 ( 0.000 0.000 -2.463) 2.463 9.917 ( 0.000 0.000 -3.212) 3.212 9.976 ( 0.000 0.000 -4.476) 4.476 10.114 ( 0.000 0.000 -7.477) 7.477 11.036 ( 0.000 0.000 0.008) 0.008 11.036 ( 0.000 0.000 0.008) 0.008 12.239 ( 0.000 0.000 2.000) 2.000 12.388 ( 0.000 0.000 -2.262) 2.262 12.876 ( 0.000 0.000 0.547) 0.547 12.902 ( 0.000 0.000 -0.187) 0.187 14.055 ( 0.000 0.000 0.823) 0.823 14.132 ( 0.000 0.000 -1.231) 1.231 14.928 ( 0.000 0.000 16.073) 16.073 15.285 ( 0.000 0.000 1.509) 1.509 15.399 ( 0.000 0.000 -1.622) 1.622 16.159 ( 0.000 0.000 -18.972) 18.972 16.754 ( 0.000 0.000 -0.456) 0.456 16.954 ( 0.000 0.000 -10.070) 10.070 18.641 ( 0.000 0.000 14.253) 14.253 19.157 ( 0.000 0.000 -3.938) 3.938 21.161 ( 0.000 0.000 13.116) 13.116 21.641 ( 0.000 0.000 -2.178) 2.178 22.032 ( 0.000 0.000 5.632) 5.632 22.396 ( 0.000 0.000 -4.213) 4.213 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 7.175 0.000 18.912) 20.227 1.206 ( 0.572 0.000 27.776) 27.782 1.966 ( 1.217 0.000 -8.419) 8.506 2.031 ( 19.604 0.000 16.149) 25.399 2.109 ( 16.876 0.000 15.723) 23.065 2.127 ( -2.702 0.000 1.720) 3.203 2.299 ( -4.724 0.000 -1.104) 4.851 2.412 ( 28.500 0.000 0.481) 28.504 2.686 ( 7.700 0.000 -0.447) 7.713 2.711 ( 5.756 0.000 -0.644) 5.792 2.731 ( -2.110 0.000 -0.453) 2.158 3.013 ( 15.888 0.000 -2.233) 16.044 3.074 ( -1.999 0.000 -4.038) 4.506 3.342 ( -2.738 0.000 0.727) 2.833 3.384 ( 0.180 0.000 -1.565) 1.576 3.446 ( -11.791 0.000 7.492) 13.969 3.656 ( -4.034 0.000 0.567) 4.074 3.703 ( 1.954 0.000 -2.779) 3.397 3.733 ( 3.943 0.000 0.849) 4.034 3.847 ( -0.662 0.000 1.363) 1.515 3.906 ( 5.603 0.000 -2.113) 5.988 3.937 ( 3.445 0.000 0.572) 3.492 4.019 ( 5.463 0.000 2.649) 6.071 4.023 ( 5.289 0.000 -0.140) 5.291 4.277 ( -1.879 0.000 1.362) 2.321 4.280 ( -2.604 0.000 -7.837) 8.258 4.422 ( 2.501 0.000 -4.912) 5.512 4.513 ( -7.699 0.000 6.723) 10.222 4.577 ( 2.377 0.000 -8.415) 8.744 4.584 ( -1.575 0.000 8.303) 8.451 4.620 ( 2.793 0.000 11.059) 11.406 4.724 ( 2.949 0.000 2.990) 4.199 4.849 ( -1.574 0.000 -4.459) 4.728 5.022 ( 1.100 0.000 -2.172) 2.434 5.321 ( 1.253 0.000 -0.812) 1.493 5.369 ( -7.240 0.000 -1.619) 7.419 5.391 ( 3.613 0.000 -3.639) 5.127 5.485 ( -5.190 0.000 -2.513) 5.766 5.791 ( -5.954 0.000 -12.008) 13.403 5.961 ( -8.949 0.000 1.854) 9.139 6.246 ( 6.378 0.000 -12.249) 13.810 6.370 ( 6.554 0.000 -7.626) 10.056 7.072 ( 4.896 0.000 -8.293) 9.630 7.144 ( 4.985 0.000 -8.380) 9.751 8.621 ( -5.197 0.000 13.812) 14.757 8.752 ( 6.928 0.000 8.195) 10.731 8.850 ( 8.801 0.000 7.041) 11.271 8.863 ( -4.582 0.000 7.328) 8.643 9.512 ( -25.719 0.000 -1.998) 25.796 9.541 ( -26.236 0.000 -3.428) 26.459 10.143 ( 4.905 0.000 -3.927) 6.283 10.246 ( 6.598 0.000 -7.067) 9.668 11.626 ( 57.376 0.000 2.203) 57.418 12.286 ( 4.851 0.000 2.136) 5.301 12.441 ( 110.557 0.000 -41.103) 117.951 12.459 ( 7.246 0.000 -2.774) 7.759 12.851 ( -1.293 0.000 1.315) 1.844 12.931 ( 1.598 0.000 -0.867) 1.818 14.009 ( -4.314 0.000 1.237) 4.488 14.110 ( -2.307 0.000 -1.500) 2.752 14.867 ( -6.405 0.000 15.467) 16.740 15.320 ( 3.636 0.000 1.743) 4.032 15.458 ( 6.091 0.000 -2.070) 6.434 16.053 ( -10.975 0.000 -18.237) 21.285 16.731 ( -2.316 0.000 -0.285) 2.334 16.925 ( -2.935 0.000 -9.428) 9.875 18.570 ( -7.486 0.000 13.912) 15.798 19.061 ( -10.024 0.000 -2.637) 10.365 21.176 ( 1.571 0.000 12.143) 12.244 21.614 ( -2.792 0.000 -1.665) 3.250 21.958 ( -7.841 0.000 6.999) 10.510 22.229 ( -14.118 0.000 2.227) 14.292 ======================= Grid point 92 (33/60) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.724 0.000 18.961) 18.975 1.194 ( 13.202 0.000 14.524) 19.628 1.995 ( -3.560 0.000 0.221) 3.567 2.022 ( 4.867 0.000 -7.906) 9.284 2.067 ( -2.811 0.000 -0.858) 2.939 2.262 ( 0.399 0.000 -0.126) 0.419 2.632 ( 9.111 0.000 1.916) 9.310 2.727 ( 5.880 0.000 13.980) 15.166 2.766 ( -0.262 0.000 4.114) 4.122 2.844 ( 8.195 0.000 0.970) 8.252 2.876 ( 3.002 0.000 -6.737) 7.375 3.033 ( -2.378 0.000 -0.731) 2.488 3.255 ( -5.617 0.000 -0.598) 5.648 3.287 ( -1.315 0.000 -0.897) 1.591 3.425 ( 3.449 0.000 -5.687) 6.651 3.467 ( 26.344 0.000 2.764) 26.489 3.615 ( 6.020 0.000 0.824) 6.076 3.660 ( -2.897 0.000 -7.578) 8.113 3.764 ( -3.143 0.000 0.777) 3.237 3.794 ( -6.076 0.000 1.539) 6.268 4.000 ( 2.520 0.000 0.504) 2.570 4.018 ( 4.967 0.000 1.424) 5.167 4.094 ( 5.963 0.000 0.786) 6.014 4.183 ( 5.437 0.000 -2.843) 6.135 4.297 ( 6.221 0.000 2.467) 6.693 4.353 ( 12.574 0.000 0.699) 12.594 4.424 ( 1.835 0.000 -0.253) 1.852 4.446 ( 1.857 0.000 -10.647) 10.808 4.564 ( 2.189 0.000 3.443) 4.080 4.679 ( 6.718 0.000 -4.738) 8.221 4.724 ( 9.384 0.000 8.578) 12.714 4.783 ( 2.899 0.000 3.702) 4.702 4.860 ( 3.425 0.000 -1.620) 3.789 5.064 ( 3.781 0.000 -2.494) 4.530 5.252 ( -4.701 0.000 2.858) 5.501 5.355 ( 2.038 0.000 -1.003) 2.271 5.399 ( -3.145 0.000 2.778) 4.196 5.463 ( 3.480 0.000 -4.505) 5.692 5.740 ( 3.423 0.000 -4.171) 5.396 5.928 ( 4.001 0.000 -0.175) 4.004 6.359 ( 4.082 0.000 -6.360) 7.557 6.475 ( 3.276 0.000 -4.316) 5.418 7.218 ( 10.582 0.000 -4.298) 11.421 7.285 ( 9.891 0.000 -4.886) 11.032 8.487 ( -8.647 0.000 13.391) 15.940 8.735 ( -8.829 0.000 6.443) 10.930 8.849 ( -17.081 0.000 -0.207) 17.083 8.951 ( -30.675 0.000 -1.853) 30.731 9.025 ( -3.526 0.000 0.995) 3.664 9.123 ( 11.613 0.000 -0.968) 11.653 10.165 ( -2.416 0.000 -4.659) 5.249 10.309 ( -0.165 0.000 -8.569) 8.571 12.414 ( 8.266 0.000 2.524) 8.643 12.642 ( 11.089 0.000 -3.938) 11.767 12.843 ( 0.689 0.000 1.756) 1.886 12.946 ( -0.246 0.000 -1.001) 1.031 12.957 ( 76.934 0.000 4.997) 77.096 13.919 ( -4.241 0.000 1.853) 4.628 14.055 ( -2.716 0.000 -1.885) 3.306 14.385 ( 87.159 0.000 -56.638) 103.945 14.693 ( -11.604 0.000 13.696) 17.951 15.415 ( 6.141 0.000 2.391) 6.590 15.623 ( 11.340 0.000 -3.836) 11.971 15.753 ( -20.326 0.000 -16.170) 25.974 16.673 ( -3.395 0.000 0.247) 3.404 16.853 ( -4.164 0.000 -7.704) 8.757 18.355 ( -15.381 0.000 12.488) 19.812 18.784 ( -19.005 0.000 -0.628) 19.015 21.223 ( 3.374 0.000 9.800) 10.365 21.544 ( -4.168 0.000 0.786) 4.241 21.763 ( -10.913 0.000 10.633) 15.237 21.979 ( -11.640 0.000 4.160) 12.361 ======================= Grid point 93 (34/60) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 13.407 0.000 4.433) 14.121 1.474 ( 15.616 0.000 10.768) 18.969 1.989 ( 3.551 0.000 -8.064) 8.811 2.026 ( -1.842 0.000 1.034) 2.112 2.147 ( 7.458 0.000 -7.542) 10.607 2.290 ( 1.952 0.000 -1.470) 2.444 2.542 ( -18.958 0.000 -3.029) 19.198 2.658 ( -5.919 0.000 2.357) 6.370 2.719 ( -3.064 0.000 7.341) 7.955 2.873 ( -0.691 0.000 -3.130) 3.205 2.946 ( -1.780 0.000 1.459) 2.302 3.017 ( 3.883 0.000 -0.491) 3.914 3.164 ( -2.801 0.000 -2.266) 3.602 3.201 ( -2.645 0.000 -5.829) 6.401 3.445 ( -2.365 0.000 -3.488) 4.214 3.512 ( -12.136 0.000 -3.895) 12.745 3.620 ( -10.023 0.000 1.101) 10.084 3.638 ( -6.017 0.000 -3.619) 7.022 3.673 ( 4.389 0.000 -12.137) 12.906 3.919 ( 11.023 0.000 13.690) 17.577 4.001 ( -2.613 0.000 -6.747) 7.235 4.176 ( -0.347 0.000 4.959) 4.971 4.206 ( 10.548 0.000 7.241) 12.794 4.228 ( 2.022 0.000 2.198) 2.986 4.367 ( -0.100 0.000 2.970) 2.972 4.454 ( -0.952 0.000 0.324) 1.005 4.549 ( 7.445 0.000 -8.027) 10.947 4.674 ( 12.492 0.000 -0.210) 12.493 4.762 ( 1.684 0.000 -4.939) 5.218 4.849 ( 8.761 0.000 -0.212) 8.763 4.893 ( 11.284 0.000 3.057) 11.690 4.976 ( 14.676 0.000 1.447) 14.747 5.079 ( 21.084 0.000 -1.475) 21.135 5.173 ( 7.224 0.000 -4.135) 8.324 5.244 ( 14.248 0.000 6.751) 15.766 5.388 ( 1.178 0.000 -1.058) 1.583 5.470 ( 18.092 0.000 1.752) 18.177 5.506 ( 0.747 0.000 -4.820) 4.878 5.912 ( 13.646 0.000 0.705) 13.664 6.080 ( 11.764 0.000 -0.409) 11.771 6.380 ( -1.725 0.000 1.599) 2.353 6.482 ( -2.005 0.000 1.469) 2.486 7.457 ( 13.850 0.000 0.934) 13.882 7.520 ( 14.728 0.000 -0.848) 14.753 8.174 ( -42.191 0.000 -0.780) 42.198 8.229 ( -42.171 0.000 -2.044) 42.221 8.305 ( -10.273 0.000 12.075) 15.854 8.532 ( -12.482 0.000 5.469) 13.628 9.257 ( 16.078 0.000 -2.195) 16.228 9.448 ( 18.456 0.000 -6.972) 19.729 10.058 ( -8.606 0.000 -5.461) 10.193 10.242 ( -6.784 0.000 -10.129) 12.191 12.582 ( 8.913 0.000 2.853) 9.359 12.812 ( 5.169 0.000 -2.336) 5.673 12.894 ( 4.548 0.000 -0.630) 4.591 12.921 ( -2.092 0.000 -0.112) 2.095 13.881 ( 0.719 0.000 2.279) 2.390 14.058 ( 4.791 0.000 -2.732) 5.515 14.346 ( 65.478 0.000 6.514) 65.801 14.445 ( -13.831 0.000 10.853) 17.581 15.305 ( -26.292 0.000 -13.128) 29.387 15.515 ( 10.040 0.000 -2.037) 10.244 15.628 ( 31.758 0.000 -23.440) 39.472 15.927 ( 23.414 0.000 -18.818) 30.039 16.653 ( 4.944 0.000 -0.563) 4.976 16.810 ( 2.034 0.000 -5.750) 6.099 17.982 ( -24.125 0.000 9.496) 25.927 18.355 ( -25.995 0.000 -1.708) 26.051 21.302 ( 4.887 0.000 7.285) 8.773 21.478 ( -2.223 0.000 4.310) 4.849 21.591 ( -7.066 0.000 9.016) 11.455 21.775 ( -10.076 0.000 3.440) 10.647 ======================= Grid point 94 (35/60) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 22.020 0.000 -4.109) 22.400 1.756 ( 13.417 0.000 7.913) 15.577 1.954 ( -6.893 0.000 4.691) 8.338 2.072 ( -11.545 0.000 -10.347) 15.503 2.188 ( -0.295 0.000 -6.540) 6.547 2.269 ( 4.601 0.000 -5.421) 7.110 2.312 ( -0.168 0.000 -4.129) 4.133 2.430 ( -15.716 0.000 -9.843) 18.544 2.718 ( 3.830 0.000 5.860) 7.001 2.839 ( -7.460 0.000 4.060) 8.494 2.936 ( 7.675 0.000 0.071) 7.675 3.096 ( 4.068 0.000 -2.968) 5.036 3.116 ( -9.336 0.000 -1.417) 9.443 3.158 ( -0.535 0.000 -5.457) 5.484 3.383 ( -1.714 0.000 1.131) 2.054 3.398 ( 2.130 0.000 -2.364) 3.182 3.442 ( -7.144 0.000 0.726) 7.181 3.501 ( -7.158 0.000 -2.422) 7.557 3.791 ( 6.891 0.000 -12.811) 14.547 3.915 ( -5.920 0.000 -11.273) 12.734 4.062 ( 5.162 0.000 7.855) 9.399 4.137 ( -3.064 0.000 5.658) 6.434 4.278 ( 3.105 0.000 3.822) 4.925 4.336 ( -2.680 0.000 3.878) 4.713 4.350 ( 5.151 0.000 3.460) 6.205 4.420 ( -2.556 0.000 1.041) 2.760 4.674 ( 5.463 0.000 -6.012) 8.123 4.751 ( -2.504 0.000 -5.152) 5.729 4.799 ( 4.531 0.000 3.881) 5.966 4.873 ( -2.680 0.000 5.760) 6.353 5.025 ( 4.621 0.000 1.413) 4.832 5.106 ( -3.807 0.000 2.572) 4.595 5.205 ( 8.541 0.000 -3.069) 9.076 5.280 ( 1.532 0.000 -5.431) 5.642 5.413 ( 2.829 0.000 -1.477) 3.192 5.484 ( -3.053 0.000 -4.095) 5.108 5.907 ( 26.702 0.000 5.302) 27.223 5.982 ( 22.109 0.000 4.246) 22.513 6.179 ( 3.328 0.000 1.949) 3.856 6.244 ( -4.214 0.000 0.439) 4.237 6.487 ( 28.156 0.000 4.482) 28.511 6.586 ( 28.492 0.000 0.390) 28.495 7.314 ( -47.588 0.000 0.202) 47.589 7.383 ( -45.945 0.000 -1.794) 45.980 7.714 ( 12.252 0.000 5.372) 13.377 7.788 ( 9.351 0.000 3.259) 9.903 8.134 ( -4.418 0.000 8.612) 9.679 8.273 ( -13.991 0.000 4.754) 14.776 9.567 ( 16.057 0.000 -5.031) 16.826 9.784 ( 16.490 0.000 -10.354) 19.471 9.849 ( -13.271 0.000 -5.843) 14.501 10.059 ( -12.281 0.000 -11.049) 16.519 12.734 ( 6.840 0.000 2.407) 7.251 12.837 ( -3.652 0.000 0.792) 3.737 12.902 ( 2.528 0.000 -0.353) 2.553 12.944 ( -0.506 0.000 -1.628) 1.705 13.954 ( 7.215 0.000 3.868) 8.187 14.136 ( -9.077 0.000 4.896) 10.313 14.346 ( 16.133 0.000 -3.303) 16.468 14.790 ( -26.950 0.000 -9.414) 28.547 15.290 ( 31.410 0.000 6.217) 32.019 15.575 ( -2.679 0.000 4.474) 5.214 15.977 ( 11.928 0.000 -8.801) 14.824 16.142 ( -3.666 0.000 -13.227) 13.726 16.930 ( 21.057 0.000 -0.757) 21.070 17.157 ( 34.086 0.000 -12.618) 36.347 17.452 ( -30.537 0.000 5.051) 30.952 17.805 ( -32.020 0.000 -7.313) 32.845 21.398 ( 4.670 0.000 5.861) 7.494 21.465 ( -1.216 0.000 4.547) 4.707 21.500 ( -0.185 0.000 7.600) 7.602 21.601 ( -8.054 0.000 4.103) 9.039 ======================= Grid point 99 (36/60) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.000 11.440 18.722) 21.940 1.164 ( 0.000 5.067 21.387) 21.979 1.746 ( 0.000 -9.794 8.905) 13.237 1.918 ( 0.000 17.138 24.592) 29.975 1.924 ( 0.000 -10.399 1.675) 10.533 2.169 ( 0.000 2.009 1.630) 2.587 2.293 ( 0.000 9.786 2.503) 10.101 2.428 ( 0.000 3.550 0.797) 3.639 2.644 ( 0.000 3.700 -5.052) 6.262 2.734 ( 0.000 8.980 1.529) 9.109 2.755 ( 0.000 0.154 -4.532) 4.534 2.831 ( 0.000 -2.347 -3.824) 4.486 3.136 ( 0.000 0.302 -2.648) 2.665 3.391 ( 0.000 2.471 4.013) 4.713 3.440 ( 0.000 5.309 0.835) 5.374 3.527 ( 0.000 -3.044 10.957) 11.372 3.643 ( 0.000 -0.916 2.986) 3.123 3.669 ( 0.000 -0.203 2.109) 2.118 3.715 ( 0.000 -9.258 -6.702) 11.429 3.725 ( 0.000 -0.798 13.447) 13.471 3.862 ( 0.000 -4.034 -5.978) 7.212 3.901 ( 0.000 -1.392 -2.744) 3.077 3.939 ( 0.000 1.370 -1.914) 2.354 3.990 ( 0.000 2.349 5.461) 5.945 4.243 ( 0.000 -3.084 -3.184) 4.433 4.356 ( 0.000 -2.370 2.157) 3.205 4.406 ( 0.000 3.774 -4.922) 6.202 4.470 ( 0.000 -6.495 8.967) 11.072 4.516 ( 0.000 -3.692 -1.815) 4.113 4.585 ( 0.000 -2.380 -0.816) 2.516 4.631 ( 0.000 -1.142 4.342) 4.490 4.655 ( 0.000 -8.089 -1.651) 8.256 4.711 ( 0.000 0.331 5.784) 5.794 5.149 ( 0.000 -2.228 -10.949) 11.174 5.302 ( 0.000 -1.096 -5.098) 5.215 5.371 ( 0.000 5.243 1.361) 5.417 5.496 ( 0.000 4.750 -4.770) 6.731 5.655 ( 0.000 7.172 -5.472) 9.021 5.846 ( 0.000 0.069 -16.546) 16.546 5.997 ( 0.000 -8.598 -11.759) 14.566 6.212 ( 0.000 0.282 -6.533) 6.539 6.282 ( 0.000 -1.433 -5.995) 6.164 7.047 ( 0.000 1.728 -10.487) 10.628 7.099 ( 0.000 0.146 -9.811) 9.812 8.634 ( 0.000 -0.687 11.069) 11.090 8.718 ( 0.000 -2.804 8.870) 9.303 8.796 ( 0.000 7.842 14.906) 16.843 9.052 ( 0.000 8.603 8.807) 12.312 9.853 ( 0.000 -2.547 -1.983) 3.228 9.904 ( 0.000 -1.305 -3.226) 3.480 9.977 ( 0.000 0.788 -4.787) 4.851 10.101 ( 0.000 -1.336 -7.425) 7.544 11.035 ( 0.000 -0.024 -0.000) 0.024 11.035 ( 0.000 -0.024 0.000) 0.024 12.259 ( 0.000 1.992 1.755) 2.655 12.385 ( 0.000 -0.591 -1.800) 1.895 12.883 ( 0.000 0.558 0.095) 0.566 12.901 ( 0.000 -0.113 -0.202) 0.232 14.068 ( 0.000 1.216 0.646) 1.377 14.128 ( 0.000 -0.374 -0.987) 1.056 15.154 ( 0.000 19.736 1.715) 19.810 15.303 ( 0.000 2.592 1.471) 2.980 15.387 ( 0.000 -1.174 -1.404) 1.830 16.103 ( 0.000 -5.881 -20.029) 20.874 16.774 ( 0.000 2.012 -0.659) 2.117 16.937 ( 0.000 -1.709 -8.499) 8.669 18.687 ( 0.000 4.684 13.288) 14.089 19.106 ( 0.000 -5.160 -1.410) 5.349 21.206 ( 0.000 4.909 14.108) 14.937 21.672 ( 0.000 3.146 -1.695) 3.573 21.991 ( 0.000 -4.131 4.703) 6.260 22.136 ( 0.000 -23.022 6.693) 23.976 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.11 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 3.075 6.774 19.643) 21.004 1.430 ( 9.858 18.475 18.944) 28.238 1.849 ( -0.432 -14.987 6.504) 16.343 2.023 ( 7.646 0.745 -2.433) 8.058 2.068 ( 14.470 0.634 8.321) 16.703 2.210 ( 9.630 9.600 12.171) 18.249 2.387 ( 8.024 -1.056 3.723) 8.908 2.447 ( 13.124 9.494 -0.040) 16.198 2.692 ( 1.503 1.765 -3.501) 4.199 2.758 ( 4.197 1.948 -0.020) 4.626 2.796 ( 5.463 8.386 -0.220) 10.011 2.971 ( 14.773 -3.839 -4.899) 16.031 3.118 ( -0.907 1.084 -1.022) 1.744 3.349 ( -4.375 1.062 3.270) 5.565 3.420 ( -5.165 1.560 2.664) 6.017 3.453 ( -6.234 2.230 4.499) 8.005 3.582 ( -2.077 -6.691 -3.144) 7.679 3.711 ( 0.278 -0.986 -2.702) 2.890 3.755 ( 6.514 1.961 0.959) 6.870 3.847 ( 4.046 -0.179 3.856) 5.592 3.862 ( 5.331 -4.036 1.413) 6.834 3.912 ( 2.390 -0.819 -2.263) 3.392 3.994 ( 0.791 -1.596 3.212) 3.673 4.023 ( 6.313 0.422 1.075) 6.418 4.260 ( 1.098 0.136 -4.880) 5.004 4.326 ( -1.767 0.505 -1.640) 2.464 4.379 ( -2.826 -2.318 0.080) 3.657 4.432 ( -1.784 -6.890 5.532) 9.015 4.544 ( 1.484 -3.677 -4.717) 6.162 4.587 ( -2.134 -1.404 1.881) 3.172 4.606 ( 0.982 0.667 8.173) 8.259 4.684 ( 2.642 -8.343 -2.289) 9.045 4.730 ( 2.501 -0.745 2.918) 3.915 5.071 ( -6.525 -4.408 -7.959) 11.196 5.292 ( -1.264 0.529 -3.976) 4.206 5.374 ( 0.219 2.109 2.084) 2.973 5.454 ( -1.086 6.347 -1.158) 6.542 5.592 ( -4.212 6.089 -3.134) 8.040 5.797 ( -5.719 0.771 -11.814) 13.148 5.913 ( -5.027 -3.605 -2.801) 6.790 6.257 ( 6.309 1.119 -11.417) 13.092 6.355 ( 6.648 -1.420 -8.075) 10.556 7.089 ( 4.786 1.619 -8.505) 9.892 7.147 ( 5.040 0.185 -8.473) 9.861 8.638 ( -2.474 1.704 12.026) 12.396 8.788 ( 5.891 -0.107 6.617) 8.860 8.798 ( 3.080 1.470 10.043) 10.607 8.948 ( -5.162 4.115 9.895) 11.895 9.512 ( -24.833 0.280 -2.568) 24.967 9.544 ( -25.892 0.276 -3.497) 26.129 10.142 ( 5.420 0.092 -4.513) 7.054 10.231 ( 6.460 -1.518 -7.012) 9.654 11.650 ( 59.011 2.655 1.678) 59.095 12.217 ( 87.637 -16.426 -21.759) 91.780 12.310 ( 6.266 2.148 1.642) 6.824 12.467 ( 12.590 -1.197 -3.787) 13.202 12.879 ( 2.572 1.688 -1.052) 3.251 12.929 ( 1.868 -0.312 -1.046) 2.163 14.025 ( -4.028 1.481 0.977) 4.402 14.105 ( -2.397 -0.545 -1.202) 2.736 15.106 ( -4.596 20.630 -0.642) 21.145 15.337 ( 3.625 1.861 1.460) 4.329 15.447 ( 6.055 -0.916 -1.908) 6.414 16.005 ( -10.265 -5.191 -19.357) 22.517 16.751 ( -2.286 2.030 -0.466) 3.093 16.910 ( -2.794 -1.576 -7.977) 8.598 18.612 ( -7.835 4.343 13.046) 15.825 19.012 ( -9.910 -5.035 -0.286) 11.120 21.215 ( 1.010 4.275 13.084) 13.802 21.642 ( -3.179 2.725 -1.086) 4.326 21.897 ( -9.371 -7.431 8.693) 14.785 22.051 ( -7.076 -14.310 5.891) 17.016 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.22 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 6.810 3.928 13.830) 15.908 1.518 ( 4.697 23.079 12.581) 26.701 1.818 ( -0.601 -13.126 1.030) 13.180 2.095 ( 2.616 5.818 -2.903) 7.009 2.115 ( 0.225 4.737 -2.827) 5.521 2.378 ( 0.202 7.417 2.264) 7.758 2.540 ( 7.230 -7.575 2.957) 10.881 2.733 ( 2.956 0.532 13.318) 13.652 2.812 ( 3.472 0.986 -8.462) 9.200 2.824 ( 2.344 1.690 4.141) 5.050 2.949 ( 6.072 7.136 -1.262) 9.455 3.089 ( -3.779 2.733 -1.121) 4.797 3.215 ( -6.905 -3.740 -3.695) 8.678 3.285 ( -1.406 0.727 0.140) 1.589 3.455 ( 22.711 0.023 5.228) 23.305 3.472 ( 7.939 3.300 -2.478) 8.947 3.603 ( 8.118 -1.927 -0.866) 8.388 3.667 ( -2.872 -1.297 -5.531) 6.366 3.793 ( -4.774 3.415 -0.177) 5.873 3.811 ( -3.852 3.050 1.313) 5.085 3.966 ( 5.739 -2.776 0.688) 6.412 4.003 ( 3.917 -2.178 3.610) 5.755 4.083 ( 3.610 -1.712 2.949) 4.966 4.130 ( 7.683 -2.593 -5.617) 9.865 4.288 ( 2.316 -1.800 1.957) 3.526 4.377 ( 8.443 -1.120 -7.084) 11.078 4.397 ( 7.814 0.963 3.213) 8.504 4.439 ( 4.100 -2.256 -6.750) 8.214 4.548 ( 2.610 -2.516 0.563) 3.668 4.602 ( 1.775 -5.790 8.622) 10.536 4.659 ( 7.410 -3.032 -0.854) 8.051 4.774 ( 6.086 -5.110 -3.269) 8.593 4.804 ( 5.780 -1.940 0.686) 6.136 4.992 ( -0.428 -7.466 -1.766) 7.683 5.261 ( -1.523 3.007 0.214) 3.378 5.373 ( -0.236 1.474 2.788) 3.163 5.469 ( 1.797 6.752 -1.012) 7.060 5.555 ( 0.329 5.298 -1.368) 5.481 5.754 ( 3.558 1.588 -4.716) 6.117 5.906 ( 4.109 -2.075 -1.765) 4.930 6.369 ( 3.963 1.024 -6.020) 7.280 6.462 ( 3.387 -1.260 -4.467) 5.745 7.236 ( 10.695 1.675 -4.395) 11.683 7.291 ( 10.108 0.422 -4.821) 11.207 8.514 ( -9.366 2.723 13.163) 16.383 8.717 ( -11.249 -1.846 8.121) 13.996 8.870 ( -16.105 1.785 -0.838) 16.225 8.950 ( -26.925 -0.254 -1.749) 26.983 9.041 ( -4.124 1.625 0.952) 4.534 9.119 ( 8.809 -0.356 -0.380) 8.824 10.171 ( -2.161 0.722 -5.237) 5.711 10.290 ( -0.418 -1.918 -8.345) 8.573 12.439 ( 8.697 2.516 1.982) 9.268 12.624 ( 11.420 -1.880 -3.259) 12.023 12.837 ( 3.636 -0.350 2.058) 4.193 12.896 ( 17.887 -2.096 1.999) 18.120 13.057 ( 56.187 7.355 0.881) 56.673 13.911 ( 16.899 -6.903 -5.331) 19.017 14.002 ( 37.875 -13.904 -11.961) 42.083 14.058 ( 5.714 -3.661 -3.967) 7.860 15.052 ( 5.212 21.291 -17.949) 28.331 15.434 ( 6.363 1.898 1.734) 6.862 15.604 ( 9.483 -1.868 -4.467) 10.648 15.730 ( -17.303 -2.544 -16.883) 24.308 16.694 ( -3.272 2.138 0.026) 3.909 16.841 ( -3.950 -1.225 -6.583) 7.774 18.388 ( -15.890 3.500 11.792) 20.095 18.737 ( -18.846 -4.703 1.275) 19.466 21.249 ( 2.623 2.848 10.592) 11.278 21.559 ( -5.097 0.903 2.637) 5.809 21.706 ( -9.011 -5.259 10.482) 14.789 21.902 ( -8.573 -6.633 3.652) 11.438 ======================= Grid point 102 (39/60) ======================= q-point: ( 0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 14.089 3.449 2.627) 14.741 1.661 ( 9.649 14.085 6.647) 18.321 1.874 ( 6.781 -5.383 -3.936) 9.511 2.095 ( -0.122 5.101 0.486) 5.125 2.203 ( 5.921 4.596 -5.571) 9.339 2.381 ( -0.056 6.936 -2.061) 7.236 2.546 ( -16.551 0.640 -2.402) 16.736 2.604 ( -5.696 -4.840 2.210) 7.795 2.730 ( -3.100 0.556 6.745) 7.444 2.879 ( 1.333 1.627 -0.662) 2.205 2.968 ( -2.486 -0.666 -4.225) 4.947 3.080 ( -3.448 3.271 -0.786) 4.817 3.128 ( 4.383 1.362 -1.997) 5.005 3.198 ( -3.828 -0.840 -3.385) 5.179 3.456 ( -6.518 -0.889 -2.492) 7.035 3.521 ( -7.741 2.159 -3.813) 8.895 3.603 ( -7.110 -1.828 -3.480) 8.124 3.660 ( -9.152 4.372 0.489) 10.154 3.710 ( 2.916 1.627 -10.016) 10.558 3.925 ( 10.248 0.773 12.282) 16.014 4.007 ( -2.136 -0.096 -4.906) 5.352 4.125 ( 0.130 -3.851 2.952) 4.854 4.168 ( 8.184 -4.793 4.835) 10.646 4.235 ( 4.849 1.048 2.601) 5.602 4.328 ( -0.374 -2.333 2.510) 3.447 4.462 ( -0.663 -0.233 1.378) 1.547 4.521 ( 6.705 -4.957 -3.249) 8.948 4.614 ( 6.869 -4.409 -3.864) 9.031 4.715 ( 4.545 -6.069 3.934) 8.541 4.766 ( 9.285 -5.557 -3.124) 11.263 4.833 ( 5.244 -0.590 -4.962) 7.243 4.971 ( 8.349 -6.121 0.178) 10.354 5.086 ( 30.117 2.386 -0.551) 30.217 5.149 ( 25.822 -0.573 -0.079) 25.829 5.282 ( 6.369 3.192 0.524) 7.144 5.402 ( 5.652 1.053 1.019) 5.839 5.524 ( 5.802 6.108 -0.719) 8.455 5.586 ( 4.094 4.557 -1.149) 6.232 5.923 ( 13.342 1.157 0.330) 13.396 6.058 ( 11.814 -2.112 -0.658) 12.019 6.387 ( -1.864 0.747 1.718) 2.643 6.470 ( -2.036 -1.182 1.552) 2.819 7.480 ( 14.341 2.145 0.764) 14.520 7.531 ( 15.060 0.910 -0.570) 15.098 8.169 ( -40.771 -0.405 0.061) 40.773 8.200 ( -37.784 -1.832 0.715) 37.835 8.357 ( -16.070 4.137 8.974) 18.866 8.530 ( -13.679 -0.486 5.880) 14.897 9.273 ( 16.109 1.644 -2.567) 16.395 9.428 ( 18.057 -2.074 -6.418) 19.275 10.069 ( -8.409 1.128 -6.035) 10.412 10.218 ( -6.967 -2.333 -9.767) 12.222 12.611 ( 8.860 2.879 2.254) 9.585 12.808 ( 6.504 -0.750 -2.772) 7.109 12.880 ( 3.355 -0.998 0.378) 3.520 12.914 ( -1.689 -0.719 0.036) 1.836 13.903 ( 1.180 2.164 1.851) 3.083 14.049 ( 4.610 -1.038 -2.202) 5.213 14.357 ( 57.792 1.015 6.919) 58.213 14.428 ( -6.440 -1.483 10.307) 12.244 15.336 ( -18.451 3.336 -15.849) 24.551 15.553 ( 11.508 3.587 -4.710) 12.941 15.608 ( 28.249 -2.027 -21.608) 35.623 15.880 ( 19.303 -4.634 -15.234) 25.023 16.675 ( 4.340 2.125 -0.935) 4.922 16.801 ( 1.872 -0.976 -5.073) 5.495 18.006 ( -24.525 2.628 8.829) 26.198 18.309 ( -26.041 -4.512 -0.157) 26.430 21.315 ( 4.246 1.395 7.845) 9.029 21.479 ( -2.596 -0.458 6.544) 7.056 21.569 ( -5.789 -1.451 6.868) 9.099 21.734 ( -8.834 -3.791 3.145) 10.114 ======================= Grid point 103 (40/60) ======================= q-point: ( 0.44 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 21.320 2.305 -4.629) 21.938 1.857 ( 10.255 6.950 3.602) 12.901 2.000 ( -0.454 4.014 1.417) 4.281 2.086 ( -7.810 2.734 -7.916) 11.452 2.170 ( -7.149 0.232 -3.742) 8.072 2.295 ( 1.743 1.905 -4.724) 5.384 2.367 ( -2.087 3.359 -4.041) 5.654 2.405 ( -12.194 -1.333 -7.208) 14.228 2.750 ( 4.921 2.957 5.427) 7.900 2.874 ( -5.751 3.023 3.710) 7.482 2.961 ( 4.863 3.665 -1.835) 6.360 3.072 ( 4.109 -3.013 -1.160) 5.225 3.105 ( -6.423 -1.283 -2.754) 7.106 3.199 ( -1.713 3.238 -3.558) 5.106 3.359 ( -0.394 -3.619 -2.314) 4.314 3.419 ( -0.103 3.581 1.780) 4.000 3.453 ( -7.403 -4.011 -2.174) 8.696 3.501 ( -6.577 6.651 -1.191) 9.430 3.810 ( 6.176 0.778 -11.374) 12.966 3.924 ( -5.473 -0.090 -9.617) 11.066 4.056 ( 4.151 -0.194 6.056) 7.344 4.108 ( -1.676 -1.997 3.529) 4.387 4.251 ( 2.427 -3.178 3.915) 5.596 4.286 ( -0.951 -3.907 3.671) 5.444 4.354 ( 4.100 0.374 3.090) 5.148 4.424 ( -2.982 0.055 1.882) 3.526 4.623 ( 4.446 -8.292 1.579) 9.540 4.691 ( -1.669 -7.255 2.285) 7.787 4.744 ( 4.310 -2.561 -3.002) 5.844 4.822 ( -2.575 -1.551 -4.188) 5.155 4.924 ( 5.240 -6.375 -0.969) 8.308 5.000 ( -2.334 -6.064 0.420) 6.511 5.329 ( 6.635 7.853 -1.055) 10.335 5.384 ( 1.799 6.994 -2.794) 7.743 5.460 ( 2.518 3.524 -1.248) 4.507 5.514 ( -1.710 2.353 -3.347) 4.434 5.918 ( 25.525 1.103 5.217) 26.076 5.977 ( 22.416 -0.520 4.349) 22.840 6.181 ( 2.214 0.246 1.793) 2.859 6.235 ( -3.867 -0.899 0.482) 3.999 6.489 ( 28.692 0.340 4.282) 29.012 6.571 ( 28.591 -1.454 0.995) 28.646 7.316 ( -47.535 0.220 0.168) 47.536 7.369 ( -45.844 -1.273 -1.313) 45.880 7.752 ( 13.316 3.616 5.284) 14.775 7.822 ( 11.590 2.973 3.167) 12.377 8.134 ( -7.616 0.130 8.722) 11.580 8.257 ( -14.640 -1.762 5.296) 15.668 9.583 ( 15.991 1.650 -5.518) 16.997 9.759 ( 16.369 -2.539 -9.815) 19.254 9.862 ( -13.117 1.457 -6.390) 14.663 10.033 ( -12.345 -2.574 -10.576) 16.459 12.756 ( 6.231 2.225 1.917) 6.888 12.846 ( -2.948 0.853 0.577) 3.123 12.899 ( 1.993 -0.377 -0.367) 2.061 12.927 ( 0.146 -1.670 -1.253) 2.093 13.988 ( 8.018 3.436 3.234) 9.303 14.176 ( -6.721 3.820 3.475) 8.475 14.305 ( 11.947 -3.601 -1.211) 12.537 14.674 ( -18.660 -9.611 -4.074) 21.381 15.440 ( 22.101 12.991 -0.117) 25.637 15.637 ( -0.354 5.999 2.675) 6.578 15.957 ( 11.528 -2.192 -8.092) 14.255 16.102 ( -1.633 -4.425 -12.922) 13.755 16.937 ( 21.515 0.897 -1.205) 21.567 17.118 ( 32.427 -3.796 -10.602) 34.327 17.470 ( -30.945 1.989 4.293) 31.305 17.757 ( -32.181 -4.756 -5.723) 33.030 21.401 ( 4.415 0.433 6.035) 7.490 21.468 ( -0.712 0.263 4.612) 4.674 21.485 ( -0.743 -1.312 7.359) 7.512 21.578 ( -7.318 -2.131 4.069) 8.640 ======================= Grid point 108 (41/60) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 0.000 8.818 16.359) 18.584 1.306 ( 0.000 13.401 14.716) 19.904 1.527 ( 0.000 -10.540 10.560) 14.920 1.632 ( 0.000 -16.404 9.150) 18.784 2.277 ( 0.000 5.293 0.927) 5.373 2.282 ( 0.000 9.768 4.785) 10.877 2.493 ( 0.000 15.175 11.353) 18.952 2.537 ( 0.000 9.218 -0.390) 9.226 2.654 ( 0.000 -3.900 -1.181) 4.075 2.746 ( 0.000 -3.960 -5.343) 6.651 2.778 ( 0.000 2.778 -0.630) 2.849 2.972 ( 0.000 -11.671 9.244) 14.888 3.015 ( 0.000 12.126 -7.337) 14.173 3.336 ( 0.000 -15.805 -6.640) 17.143 3.465 ( 0.000 4.077 6.534) 7.702 3.520 ( 0.000 -0.993 5.873) 5.956 3.598 ( 0.000 3.227 6.247) 7.031 3.660 ( 0.000 -1.209 5.851) 5.975 3.675 ( 0.000 0.310 4.909) 4.919 3.689 ( 0.000 -2.174 8.458) 8.733 3.824 ( 0.000 0.494 -4.682) 4.708 3.859 ( 0.000 -2.568 -2.422) 3.530 3.988 ( 0.000 4.058 -0.578) 4.099 4.044 ( 0.000 1.359 2.414) 2.770 4.185 ( 0.000 -1.117 0.450) 1.204 4.269 ( 0.000 -6.530 2.260) 6.911 4.395 ( 0.000 -0.040 1.815) 1.816 4.434 ( 0.000 -4.223 -0.531) 4.257 4.478 ( 0.000 1.647 -5.632) 5.868 4.496 ( 0.000 -1.895 -5.299) 5.628 4.607 ( 0.000 0.509 6.386) 6.406 4.628 ( 0.000 -0.354 4.250) 4.265 4.762 ( 0.000 6.586 0.258) 6.591 4.974 ( 0.000 -13.321 -8.258) 15.672 5.321 ( 0.000 2.009 -2.391) 3.123 5.362 ( 0.000 -2.376 4.980) 5.518 5.662 ( 0.000 7.714 -8.897) 11.775 5.733 ( 0.000 0.337 -7.535) 7.542 5.852 ( 0.000 0.718 -16.094) 16.110 5.882 ( 0.000 -3.070 -15.244) 15.550 6.228 ( 0.000 1.138 -8.634) 8.709 6.252 ( 0.000 -1.449 -7.700) 7.835 7.079 ( 0.000 1.393 -10.471) 10.563 7.097 ( 0.000 -0.467 -10.096) 10.107 8.643 ( 0.000 1.279 9.747) 9.831 8.675 ( 0.000 -1.943 8.852) 9.063 8.966 ( 0.000 9.286 16.556) 18.983 9.105 ( 0.000 -3.564 14.219) 14.659 9.833 ( 0.000 0.952 -3.096) 3.239 9.869 ( 0.000 -2.220 -3.350) 4.019 10.012 ( 0.000 2.585 -6.119) 6.643 10.064 ( 0.000 -2.550 -7.123) 7.566 11.035 ( 0.000 -0.013 -0.012) 0.018 11.035 ( 0.000 -0.013 -0.012) 0.018 12.308 ( 0.000 2.854 0.973) 3.016 12.358 ( 0.000 -2.186 -0.368) 2.217 12.893 ( 0.000 0.364 -0.208) 0.420 12.898 ( 0.000 -0.208 -0.230) 0.310 14.094 ( 0.000 1.357 0.269) 1.383 14.116 ( 0.000 -0.917 -0.378) 0.992 15.317 ( 0.000 2.237 -0.378) 2.269 15.357 ( 0.000 -1.927 -0.844) 2.104 15.600 ( 0.000 20.794 -15.085) 25.690 15.926 ( 0.000 -13.011 -20.951) 24.663 16.826 ( 0.000 3.311 -1.920) 3.828 16.890 ( 0.000 -3.125 -4.964) 5.866 18.811 ( 0.000 7.995 10.077) 12.864 18.973 ( 0.000 -8.333 4.490) 9.465 21.362 ( 0.000 11.854 16.348) 20.193 21.665 ( 0.000 -17.598 13.495) 22.177 21.780 ( 0.000 2.199 3.071) 3.777 21.888 ( 0.000 -6.212 2.574) 6.724 ======================= Grid point 109 (42/60) ======================= q-point: ( 0.11 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.746 13.306 14.882) 19.977 1.537 ( 0.078 -16.232 9.979) 19.054 1.747 ( 25.044 12.352 11.626) 30.248 1.928 ( 24.675 -7.541 6.781) 26.678 2.176 ( -3.660 7.776 -0.628) 8.617 2.314 ( -1.726 -5.803 2.320) 6.484 2.505 ( 1.625 18.054 12.273) 21.891 2.630 ( 10.712 8.537 -1.211) 13.751 2.746 ( 8.039 -2.037 0.718) 8.324 2.793 ( 3.290 6.536 0.217) 7.320 2.850 ( 12.450 -6.980 -5.739) 15.384 2.985 ( 2.486 -11.096 4.338) 12.171 3.055 ( 5.413 12.758 -2.364) 14.059 3.347 ( 0.837 -13.056 -3.765) 13.614 3.392 ( -6.428 1.045 3.197) 7.255 3.417 ( -8.973 -1.063 6.364) 11.052 3.568 ( -1.720 5.145 0.622) 5.460 3.654 ( -1.621 -3.940 1.702) 4.588 3.787 ( 9.448 1.233 0.829) 9.564 3.811 ( 9.168 -1.309 1.671) 9.410 3.861 ( 4.428 1.420 4.942) 6.786 3.893 ( 3.920 -1.470 0.039) 4.187 4.015 ( -2.700 3.569 0.964) 4.578 4.043 ( 4.061 1.325 -1.127) 4.418 4.245 ( 5.237 -3.028 -1.315) 6.191 4.254 ( -1.961 -4.346 2.126) 5.220 4.343 ( -4.089 0.414 2.100) 4.615 4.406 ( -1.336 -1.059 -0.048) 1.705 4.437 ( -1.612 -1.642 -2.551) 3.435 4.513 ( -0.554 -5.112 -1.239) 5.289 4.622 ( 1.722 0.112 1.094) 2.043 4.626 ( -0.300 0.483 3.662) 3.706 4.753 ( -0.075 4.551 -2.690) 5.287 4.907 ( -5.297 -10.268 -7.297) 13.665 5.324 ( 0.378 2.467 -1.391) 2.857 5.370 ( 0.801 -2.043 4.673) 5.162 5.598 ( -3.116 6.162 -4.771) 8.393 5.655 ( -4.302 0.177 -4.597) 6.299 5.824 ( -4.190 1.946 -11.756) 12.631 5.862 ( -2.671 -1.931 -9.022) 9.606 6.286 ( 6.380 1.812 -10.176) 12.147 6.322 ( 6.608 -1.886 -9.074) 11.383 7.122 ( 4.875 1.593 -8.562) 9.980 7.144 ( 5.053 -0.632 -8.545) 9.948 8.683 ( 1.848 2.858 8.999) 9.621 8.739 ( 4.947 -2.874 6.701) 8.811 8.892 ( -3.446 5.479 13.596) 15.058 8.972 ( -7.624 -1.977 13.185) 15.358 9.528 ( -24.072 1.158 -3.426) 24.342 9.545 ( -24.889 -0.417 -3.568) 25.147 10.155 ( 6.079 1.424 -5.822) 8.537 10.193 ( 6.258 -2.251 -6.726) 9.458 11.737 ( 64.578 6.848 -0.631) 64.943 11.924 ( 75.179 -12.881 -7.264) 76.620 12.366 ( 6.244 3.340 0.965) 7.147 12.427 ( 7.792 -2.828 -0.665) 8.316 12.903 ( 2.264 0.954 -1.006) 2.655 12.919 ( 2.020 -0.690 -1.051) 2.380 14.058 ( -3.474 1.771 0.447) 3.925 14.088 ( -2.834 -1.298 -0.406) 3.143 15.354 ( 3.612 3.051 -1.424) 4.938 15.396 ( 3.620 -0.982 -1.715) 4.124 15.558 ( -3.574 17.628 -15.066) 23.463 15.847 ( -8.111 -11.636 -20.689) 25.084 16.804 ( -2.287 3.262 -1.702) 4.332 16.866 ( -2.487 -2.970 -4.654) 6.055 18.729 ( -8.654 7.533 10.160) 15.326 18.883 ( -9.460 -7.999 5.115) 13.403 21.349 ( -1.066 10.074 15.283) 18.335 21.598 ( -5.984 -14.317 14.135) 20.990 21.752 ( -2.879 3.299 2.233) 4.915 21.862 ( -2.966 -6.914 2.407) 7.899 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.22 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 4.523 10.742 8.309) 14.314 1.535 ( 1.206 -13.758 3.261) 14.191 2.000 ( 5.036 22.453 6.567) 23.930 2.191 ( 2.527 3.905 1.598) 4.918 2.197 ( 2.939 1.798 -2.519) 4.268 2.349 ( 9.347 -12.190 6.537) 16.694 2.517 ( -0.514 7.603 4.077) 8.643 2.682 ( -2.667 -7.171 5.527) 9.439 2.863 ( 0.675 2.274 4.591) 5.167 2.865 ( -0.970 2.597 -6.650) 7.205 3.065 ( -5.022 0.792 -1.269) 5.240 3.106 ( -0.635 -0.888 -5.534) 5.641 3.187 ( 2.283 7.245 -0.944) 7.655 3.325 ( -1.925 0.452 -2.911) 3.519 3.447 ( 20.020 -0.496 6.366) 21.014 3.483 ( 17.237 -6.585 3.836) 18.847 3.554 ( 1.726 2.421 -3.288) 4.433 3.617 ( 2.820 -3.501 0.406) 4.514 3.855 ( -3.218 2.550 0.011) 4.106 3.897 ( 0.627 -2.280 2.053) 3.132 3.949 ( -0.975 9.325 -1.473) 9.491 3.991 ( 3.478 0.621 2.337) 4.236 4.030 ( 5.761 -1.686 4.578) 7.549 4.113 ( 7.483 -2.057 -5.064) 9.267 4.231 ( 2.801 -2.963 -1.861) 4.482 4.260 ( -1.188 -8.722 0.566) 8.821 4.391 ( 7.618 1.911 -5.322) 9.488 4.452 ( 4.558 -1.972 -0.512) 4.993 4.485 ( 11.160 0.559 -0.221) 11.176 4.555 ( 4.791 -3.296 6.067) 8.404 4.603 ( 3.728 0.958 1.125) 4.010 4.674 ( 2.546 -5.400 -1.843) 6.248 4.792 ( 4.162 1.744 -6.312) 7.759 4.860 ( 2.337 -5.404 -4.506) 7.415 5.334 ( 0.560 3.904 2.315) 4.573 5.386 ( 0.823 -1.132 4.109) 4.340 5.582 ( 0.975 4.372 -1.802) 4.829 5.617 ( 0.050 0.840 -1.455) 1.681 5.799 ( 3.444 2.919 -5.247) 6.922 5.857 ( 3.632 -2.928 -4.221) 6.291 6.396 ( 3.715 1.748 -5.370) 6.760 6.431 ( 3.533 -1.847 -4.826) 6.259 7.271 ( 10.812 1.667 -4.519) 11.837 7.292 ( 10.574 -0.461 -4.674) 11.571 8.584 ( -11.135 4.294 12.274) 17.120 8.664 ( -12.592 -3.708 10.577) 16.857 8.906 ( -16.521 1.787 -1.415) 16.678 8.936 ( -20.286 -1.248 -1.695) 20.395 9.079 ( -3.062 2.028 1.125) 3.841 9.108 ( 1.873 -0.941 0.755) 2.228 10.196 ( -1.595 1.986 -6.530) 7.009 10.243 ( -0.982 -2.710 -7.676) 8.199 12.502 ( 9.771 3.778 0.488) 10.488 12.573 ( 10.912 -3.371 -1.533) 11.524 12.839 ( 6.356 0.686 2.205) 6.762 12.862 ( 9.128 -1.578 2.039) 9.485 13.242 ( 64.646 12.359 -2.086) 65.849 13.541 ( 67.926 -19.093 -8.246) 71.038 13.987 ( -2.816 2.127 0.740) 3.606 14.026 ( -2.880 -1.795 -0.412) 3.419 15.374 ( -2.283 11.545 -19.259) 22.570 15.473 ( 4.630 0.686 -2.967) 5.542 15.572 ( 4.723 0.127 -7.746) 9.073 15.651 ( -8.779 -5.568 -16.737) 19.703 16.748 ( -3.168 3.183 -1.275) 4.668 16.805 ( -3.468 -2.573 -3.909) 5.825 18.485 ( -17.077 6.386 9.508) 20.562 18.619 ( -18.220 -7.157 5.556) 20.349 21.336 ( 0.063 6.436 12.542) 14.097 21.487 ( -4.823 -8.385 13.187) 16.355 21.677 ( -4.763 3.456 1.881) 6.178 21.775 ( -5.917 -6.163 2.120) 8.803 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 12.041 7.775 -0.728) 14.352 1.620 ( 8.333 -9.711 -3.695) 13.319 2.096 ( 5.726 15.802 2.091) 16.937 2.199 ( 0.579 3.866 0.983) 4.031 2.273 ( 3.305 4.394 -0.340) 5.509 2.449 ( -2.672 -6.268 -0.578) 6.838 2.526 ( -2.049 2.549 1.506) 3.600 2.572 ( -11.915 0.676 0.166) 11.935 2.733 ( -2.228 0.530 3.886) 4.511 2.823 ( -1.701 -8.812 -0.834) 9.014 2.976 ( -0.332 5.404 -3.223) 6.301 3.073 ( 0.346 -3.408 -2.791) 4.419 3.207 ( -8.318 3.319 -2.070) 9.192 3.241 ( -1.476 2.900 -4.804) 5.802 3.455 ( -2.215 4.159 -1.162) 4.853 3.563 ( -6.553 -2.655 -4.284) 8.267 3.566 ( -8.900 2.025 -0.487) 9.140 3.659 ( 1.609 -6.295 -3.517) 7.388 3.813 ( -5.769 8.954 -0.947) 10.693 3.940 ( -0.188 -3.160 1.809) 3.646 3.986 ( 5.423 2.693 3.618) 7.053 4.071 ( 6.488 -4.304 2.653) 8.226 4.101 ( 1.924 2.186 1.514) 3.282 4.227 ( -1.178 -7.605 0.696) 7.727 4.280 ( 6.405 1.022 1.718) 6.709 4.348 ( 4.722 -6.625 0.578) 8.156 4.483 ( -0.767 2.264 4.662) 5.239 4.567 ( 0.373 -5.576 4.791) 7.361 4.610 ( 7.675 0.590 -6.671) 10.186 4.669 ( 7.435 -4.638 -3.724) 9.521 4.847 ( 4.080 1.724 -5.950) 7.418 4.889 ( 6.860 -2.716 -3.279) 8.074 5.101 ( 39.703 0.936 -1.708) 39.751 5.131 ( 35.071 -1.882 -2.588) 35.216 5.364 ( 3.548 4.511 2.717) 6.349 5.417 ( 3.276 -0.692 2.243) 4.030 5.621 ( 3.814 3.363 -0.721) 5.136 5.643 ( 3.252 1.082 -0.629) 3.485 5.957 ( 12.664 2.339 -0.403) 12.884 6.008 ( 12.067 -2.886 -0.837) 12.436 6.409 ( -2.078 1.502 1.836) 3.154 6.441 ( -2.108 -1.755 1.739) 3.248 7.523 ( 15.251 1.874 0.417) 15.371 7.542 ( 15.534 -0.056 -0.034) 15.534 8.164 ( -39.003 0.040 1.187) 39.021 8.173 ( -38.489 -0.912 1.290) 38.521 8.439 ( -16.959 4.124 7.740) 19.092 8.503 ( -15.756 -2.409 6.815) 17.335 9.317 ( 16.387 2.856 -3.588) 17.016 9.376 ( 17.142 -3.102 -5.050) 18.138 10.104 ( -7.941 2.557 -7.386) 11.143 10.162 ( -7.412 -3.288 -8.782) 11.953 12.683 ( 8.767 4.421 0.625) 9.838 12.765 ( 8.544 -3.728 -1.636) 9.464 12.877 ( 0.932 0.659 0.779) 1.382 12.896 ( -0.433 -1.109 0.331) 1.236 13.956 ( 2.259 3.204 0.721) 3.986 14.014 ( 3.594 -2.601 -0.812) 4.510 14.379 ( 37.436 1.114 7.897) 38.277 14.401 ( 12.954 -1.268 9.098) 15.880 15.427 ( 2.115 5.782 -22.351) 23.184 15.535 ( 23.074 -4.891 -27.369) 36.130 15.651 ( 7.717 5.663 -0.790) 9.604 15.768 ( 11.297 -6.439 -6.948) 14.743 16.724 ( 3.001 2.785 -1.980) 4.548 16.772 ( 2.000 -2.048 -3.528) 4.543 18.083 ( -25.361 5.287 6.747) 26.770 18.199 ( -25.941 -6.481 3.367) 26.949 21.358 ( 2.222 3.186 9.274) 10.054 21.431 ( -1.011 -4.038 10.367) 11.172 21.581 ( -5.155 2.661 2.611) 6.362 21.652 ( -6.758 -4.385 2.566) 8.454 ======================= Grid point 112 (45/60) ======================= q-point: ( 0.44 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 19.333 4.827 -5.973) 20.803 1.852 ( 15.459 -5.002 -6.573) 17.528 2.117 ( -13.389 4.616 -1.588) 14.251 2.161 ( -14.829 1.202 -4.948) 15.679 2.233 ( 3.527 6.989 -0.780) 7.868 2.345 ( -4.366 -1.338 -2.721) 5.315 2.348 ( -0.717 2.677 -1.978) 3.405 2.424 ( -6.099 -0.727 -3.157) 6.906 2.821 ( 8.246 4.844 4.804) 10.702 2.927 ( 4.791 -2.058 2.248) 5.678 2.993 ( -1.312 0.335 1.743) 2.208 3.062 ( -0.819 -0.174 -2.236) 2.388 3.083 ( -0.833 4.011 -2.213) 4.657 3.199 ( 2.408 -4.410 -2.508) 5.616 3.305 ( -12.261 0.014 -0.918) 12.295 3.360 ( -10.366 -4.654 -1.643) 11.481 3.561 ( 5.921 10.649 -1.546) 12.282 3.685 ( -6.582 11.101 -3.687) 13.422 3.756 ( 5.795 -7.364 -6.683) 11.510 3.866 ( -5.463 -6.426 -5.684) 10.171 4.078 ( 3.322 2.978 2.049) 4.909 4.113 ( -0.503 2.937 0.325) 2.998 4.163 ( 3.133 -5.292 2.546) 6.656 4.202 ( -1.406 -5.231 1.735) 5.688 4.366 ( 3.610 1.125 3.197) 4.952 4.422 ( 0.814 -2.408 3.549) 4.366 4.445 ( 0.330 -3.586 5.707) 6.748 4.517 ( -4.010 -7.755 6.601) 10.945 4.752 ( 6.567 2.174 -6.304) 9.359 4.809 ( 5.719 -3.113 -4.251) 7.776 4.851 ( -2.240 1.133 -5.577) 6.116 4.906 ( -2.794 -3.884 -3.442) 5.894 5.452 ( 5.172 4.431 -0.042) 6.810 5.481 ( 4.213 2.038 -0.941) 4.774 5.513 ( 1.406 2.247 -1.857) 3.236 5.541 ( 0.542 -0.034 -2.610) 2.666 5.942 ( 23.637 1.275 4.970) 24.188 5.963 ( 22.889 -0.908 4.632) 23.371 6.191 ( -0.259 0.878 1.343) 1.626 6.213 ( -2.546 -1.270 0.788) 2.953 6.504 ( 29.221 1.306 3.561) 29.467 6.537 ( 28.954 -1.938 2.314) 29.111 7.324 ( -47.140 0.709 -0.043) 47.145 7.343 ( -46.341 -1.261 -0.551) 46.362 7.829 ( 16.138 3.624 4.882) 17.245 7.864 ( 16.783 0.427 3.766) 17.205 8.152 ( -14.708 2.055 8.156) 16.943 8.207 ( -16.082 -3.216 6.584) 17.673 9.629 ( 15.950 3.136 -6.801) 17.620 9.697 ( 16.111 -3.675 -8.435) 18.553 9.905 ( -12.799 2.990 -7.758) 15.263 9.971 ( -12.523 -3.668 -9.339) 16.047 12.812 ( 4.639 3.383 0.681) 5.782 12.864 ( 0.270 0.235 -0.284) 0.457 12.880 ( 0.592 -1.747 -0.079) 1.846 12.891 ( 0.266 -1.251 0.007) 1.278 14.076 ( 10.384 5.464 1.437) 11.822 14.182 ( 13.643 -4.967 -1.378) 14.585 14.317 ( -12.348 6.896 4.435) 14.822 14.483 ( -13.853 -9.791 1.011) 16.994 15.709 ( 14.004 13.714 -7.375) 20.942 15.775 ( 4.091 7.907 -1.140) 8.976 15.887 ( 10.117 -5.301 -6.460) 13.122 15.965 ( 3.842 -9.902 -10.570) 14.985 16.969 ( 23.552 2.501 -2.814) 23.851 17.035 ( 27.931 -4.295 -6.237) 28.939 17.533 ( -31.794 4.676 1.864) 32.190 17.643 ( -32.294 -6.442 -1.961) 32.988 21.416 ( 3.679 1.197 6.522) 7.583 21.447 ( 2.666 -1.863 7.004) 7.722 21.490 ( -4.283 1.538 4.377) 6.314 21.531 ( -5.756 -2.548 4.084) 7.504 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.000 0.000 18.751) 18.751 1.544 ( 0.000 0.000 18.224) 18.224 1.695 ( 0.000 0.000 -16.051) 16.051 1.841 ( 0.000 0.000 -10.010) 10.010 2.240 ( 0.000 0.000 5.924) 5.924 2.299 ( 0.000 0.000 18.425) 18.425 2.396 ( 0.000 0.000 -8.845) 8.845 2.428 ( 0.000 0.000 3.265) 3.265 2.460 ( 0.000 0.000 6.010) 6.010 2.603 ( 0.000 0.000 -6.342) 6.342 2.763 ( 0.000 0.000 6.015) 6.015 2.856 ( 0.000 0.000 -0.256) 0.256 3.174 ( 0.000 0.000 13.485) 13.485 3.385 ( 0.000 0.000 -0.490) 0.490 3.406 ( 0.000 0.000 1.143) 1.143 3.553 ( 0.000 0.000 -16.376) 16.376 3.557 ( 0.000 0.000 -8.986) 8.986 3.603 ( 0.000 0.000 -12.187) 12.187 3.698 ( 0.000 0.000 0.803) 0.803 3.700 ( 0.000 0.000 -0.305) 0.305 3.864 ( 0.000 0.000 12.179) 12.179 4.029 ( 0.000 0.000 0.206) 0.206 4.111 ( 0.000 0.000 7.825) 7.825 4.118 ( 0.000 0.000 8.603) 8.603 4.174 ( 0.000 0.000 -1.939) 1.939 4.313 ( 0.000 0.000 -9.682) 9.682 4.332 ( 0.000 0.000 1.537) 1.537 4.372 ( 0.000 0.000 -2.907) 2.907 4.670 ( 0.000 0.000 -0.533) 0.533 4.714 ( 0.000 0.000 -4.136) 4.136 4.805 ( 0.000 0.000 8.573) 8.573 4.869 ( 0.000 0.000 12.988) 12.988 4.890 ( 0.000 0.000 12.742) 12.742 4.942 ( 0.000 0.000 -4.889) 4.889 5.300 ( 0.000 0.000 -8.468) 8.468 5.304 ( 0.000 0.000 -0.239) 0.239 5.307 ( 0.000 0.000 -0.892) 0.892 5.417 ( 0.000 0.000 -15.826) 15.826 5.524 ( 0.000 0.000 -0.926) 0.926 5.707 ( 0.000 0.000 -16.259) 16.259 6.269 ( 0.000 0.000 0.650) 0.650 6.272 ( 0.000 0.000 1.100) 1.100 6.905 ( 0.000 0.000 -1.867) 1.867 6.942 ( 0.000 0.000 -5.072) 5.072 8.879 ( 0.000 0.000 6.398) 6.398 8.902 ( 0.000 0.000 8.051) 8.051 8.916 ( 0.000 0.000 3.041) 3.041 8.987 ( 0.000 0.000 -0.107) 0.107 9.845 ( 0.000 0.000 -0.799) 0.799 9.859 ( 0.000 0.000 -2.056) 2.056 9.918 ( 0.000 0.000 -0.414) 0.414 9.973 ( 0.000 0.000 -5.485) 5.485 11.036 ( 0.000 0.000 0.001) 0.001 11.036 ( 0.000 0.000 -0.008) 0.008 12.286 ( 0.000 0.000 2.472) 2.472 12.338 ( 0.000 0.000 -2.568) 2.568 12.888 ( 0.000 0.000 0.512) 0.512 12.897 ( 0.000 0.000 -0.353) 0.353 14.076 ( 0.000 0.000 1.248) 1.248 14.104 ( 0.000 0.000 -1.423) 1.423 15.305 ( 0.000 0.000 20.291) 20.291 15.320 ( 0.000 0.000 1.927) 1.927 15.361 ( 0.000 0.000 -1.984) 1.984 15.738 ( 0.000 0.000 -21.479) 21.479 16.756 ( 0.000 0.000 0.981) 0.981 16.808 ( 0.000 0.000 -4.463) 4.463 18.886 ( 0.000 0.000 9.852) 9.852 19.051 ( 0.000 0.000 -6.497) 6.497 21.406 ( 0.000 0.000 10.123) 10.123 21.565 ( 0.000 0.000 -5.532) 5.532 22.160 ( 0.000 0.000 6.631) 6.631 22.291 ( 0.000 0.000 -5.930) 5.930 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 3.880 0.000 17.498) 17.923 1.709 ( 1.945 0.000 -15.362) 15.484 1.742 ( 4.915 0.000 23.775) 24.278 2.154 ( 9.810 0.000 -15.012) 17.933 2.186 ( -4.568 0.000 4.373) 6.323 2.274 ( -4.995 0.000 -2.799) 5.725 2.298 ( 8.439 0.000 10.674) 13.607 2.422 ( 15.736 0.000 1.833) 15.843 2.645 ( 11.098 0.000 -0.441) 11.107 2.692 ( 8.006 0.000 -3.565) 8.764 2.851 ( 9.334 0.000 9.628) 13.410 2.977 ( 12.294 0.000 -1.956) 12.448 3.150 ( -1.994 0.000 11.673) 11.842 3.334 ( -4.683 0.000 -2.558) 5.336 3.397 ( -1.275 0.000 2.213) 2.554 3.503 ( -4.708 0.000 -3.672) 5.970 3.530 ( -4.648 0.000 -5.077) 6.883 3.542 ( -1.494 0.000 -12.230) 12.321 3.766 ( 5.639 0.000 1.905) 5.952 3.812 ( 9.502 0.000 -3.247) 10.041 3.869 ( -0.969 0.000 3.063) 3.213 3.975 ( -5.121 0.000 -4.010) 6.504 4.109 ( -0.189 0.000 6.241) 6.243 4.110 ( 0.678 0.000 7.454) 7.484 4.209 ( 3.070 0.000 -0.633) 3.134 4.256 ( -2.995 0.000 -7.428) 8.009 4.344 ( 1.128 0.000 3.083) 3.283 4.440 ( 5.240 0.000 -5.511) 7.604 4.646 ( -3.328 0.000 0.789) 3.420 4.657 ( -5.263 0.000 1.399) 5.446 4.822 ( 1.799 0.000 8.170) 8.366 4.831 ( -1.992 0.000 6.529) 6.826 4.874 ( -1.864 0.000 6.935) 7.181 4.952 ( 1.171 0.000 -4.734) 4.877 5.309 ( 1.245 0.000 -1.174) 1.711 5.317 ( 1.569 0.000 0.330) 1.604 5.337 ( 2.536 0.000 -1.682) 3.043 5.453 ( 5.260 0.000 -9.464) 10.828 5.526 ( -1.751 0.000 -0.349) 1.785 5.756 ( 3.395 0.000 -16.279) 16.630 6.208 ( -0.987 0.000 3.661) 3.791 6.271 ( 2.718 0.000 -2.890) 3.967 6.974 ( 7.272 0.000 -1.237) 7.377 7.011 ( 7.158 0.000 -4.445) 8.426 8.851 ( -5.278 0.000 8.087) 9.657 8.910 ( 3.440 0.000 5.942) 6.866 8.938 ( -5.114 0.000 -0.281) 5.122 8.954 ( 4.449 0.000 1.989) 4.873 9.472 ( -25.512 0.000 -1.200) 25.540 9.481 ( -26.083 0.000 -1.987) 26.158 10.086 ( 4.821 0.000 -0.976) 4.918 10.121 ( 5.462 0.000 -4.394) 7.010 11.708 ( 63.546 0.000 6.271) 63.855 11.915 ( 78.393 0.000 -15.314) 79.875 12.337 ( 5.333 0.000 2.797) 6.022 12.398 ( 6.186 0.000 -3.056) 6.900 12.880 ( -0.296 0.000 1.485) 1.514 12.909 ( 0.753 0.000 -1.293) 1.496 14.039 ( -3.556 0.000 1.693) 3.939 14.076 ( -2.847 0.000 -1.804) 3.371 15.230 ( -7.823 0.000 19.592) 21.096 15.362 ( 4.259 0.000 2.278) 4.830 15.411 ( 5.111 0.000 -2.425) 5.657 15.648 ( -9.376 0.000 -20.735) 22.756 16.737 ( -2.002 0.000 1.065) 2.268 16.787 ( -2.078 0.000 -4.267) 4.746 18.811 ( -8.034 0.000 9.682) 12.581 18.971 ( -8.587 0.000 -6.099) 10.533 21.402 ( -0.241 0.000 9.366) 9.369 21.548 ( -1.599 0.000 -4.975) 5.226 22.092 ( -6.835 0.000 6.215) 9.238 22.201 ( -8.681 0.000 -3.976) 9.548 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 9.242 0.000 14.654) 17.325 1.631 ( -9.404 0.000 21.943) 23.873 1.787 ( 6.376 0.000 -13.570) 14.993 1.965 ( -12.096 0.000 -7.818) 14.403 2.115 ( -2.253 0.000 4.694) 5.207 2.221 ( -0.993 0.000 -4.347) 4.459 2.566 ( 3.333 0.000 0.294) 3.346 2.703 ( 2.604 0.000 -8.907) 9.280 2.823 ( 6.519 0.000 1.631) 6.720 2.847 ( 7.405 0.000 -0.508) 7.423 3.029 ( 0.690 0.000 9.705) 9.729 3.109 ( -2.547 0.000 6.818) 7.278 3.170 ( -3.217 0.000 -5.830) 6.659 3.223 ( -6.269 0.000 -3.656) 7.257 3.374 ( -0.551 0.000 2.176) 2.244 3.498 ( -2.774 0.000 -8.344) 8.792 3.557 ( 9.881 0.000 3.549) 10.499 3.618 ( 4.490 0.000 -2.097) 4.956 3.803 ( -3.296 0.000 3.347) 4.698 3.884 ( 18.932 0.000 6.773) 20.107 3.913 ( -1.545 0.000 -7.045) 7.213 4.000 ( 17.231 0.000 -3.884) 17.663 4.145 ( 3.239 0.000 5.388) 6.286 4.175 ( 7.295 0.000 2.459) 7.698 4.265 ( 4.815 0.000 -6.326) 7.950 4.275 ( 5.156 0.000 -6.062) 7.958 4.395 ( 4.251 0.000 6.471) 7.743 4.541 ( -3.011 0.000 5.608) 6.365 4.546 ( 5.463 0.000 -7.548) 9.317 4.589 ( -2.784 0.000 -0.332) 2.804 4.836 ( 2.826 0.000 2.618) 3.852 4.872 ( 3.188 0.000 0.741) 3.273 4.884 ( 5.276 0.000 6.611) 8.458 4.994 ( 3.573 0.000 -4.283) 5.577 5.317 ( -0.596 0.000 5.081) 5.116 5.356 ( 2.208 0.000 0.898) 2.384 5.391 ( 2.781 0.000 -2.562) 3.781 5.453 ( -3.876 0.000 -3.124) 4.978 5.647 ( 13.684 0.000 2.867) 13.981 5.849 ( 7.777 0.000 -10.102) 12.749 6.297 ( 7.698 0.000 2.166) 7.997 6.380 ( 6.974 0.000 -4.672) 8.394 7.178 ( 14.022 0.000 0.074) 14.022 7.208 ( 13.493 0.000 -2.667) 13.754 8.710 ( -9.301 0.000 7.942) 12.231 8.799 ( -9.429 0.000 -0.557) 9.445 8.867 ( -28.156 0.000 1.643) 28.204 8.908 ( -33.881 0.000 -2.235) 33.954 9.061 ( 4.502 0.000 2.255) 5.035 9.100 ( 8.027 0.000 -1.396) 8.147 10.103 ( -2.802 0.000 -0.665) 2.880 10.155 ( -1.873 0.000 -5.642) 5.945 12.477 ( 8.956 0.000 3.588) 9.648 12.557 ( 9.978 0.000 -4.169) 10.813 12.881 ( 0.481 0.000 1.932) 1.991 12.918 ( 0.173 0.000 -1.633) 1.642 13.133 ( 80.297 0.000 13.143) 81.366 13.542 ( 85.527 0.000 -28.415) 90.124 13.963 ( -3.705 0.000 2.337) 4.381 14.011 ( -3.183 0.000 -2.342) 3.951 15.017 ( -14.355 0.000 17.531) 22.658 15.391 ( -17.352 0.000 -18.572) 25.417 15.474 ( 7.265 0.000 3.277) 7.970 15.546 ( 8.910 0.000 -3.726) 9.658 16.688 ( -2.732 0.000 1.355) 3.049 16.738 ( -2.756 0.000 -3.765) 4.666 18.575 ( -17.121 0.000 8.928) 19.309 18.720 ( -18.118 0.000 -5.244) 18.861 21.404 ( 0.682 0.000 7.430) 7.461 21.515 ( -1.563 0.000 -3.375) 3.719 21.925 ( -9.990 0.000 5.888) 11.596 22.006 ( -10.970 0.000 -1.650) 11.093 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.765 0.000 14.693) 14.713 1.706 ( 12.297 0.000 11.576) 16.889 1.814 ( -2.967 0.000 -10.960) 11.355 1.938 ( 8.742 0.000 -10.776) 13.876 2.106 ( 1.037 0.000 5.112) 5.216 2.223 ( 0.704 0.000 -5.184) 5.231 2.442 ( -15.321 0.000 -1.102) 15.361 2.546 ( -15.650 0.000 -9.191) 18.150 2.863 ( -1.085 0.000 6.360) 6.452 2.964 ( 4.021 0.000 -2.583) 4.779 2.965 ( -2.433 0.000 7.704) 8.079 3.030 ( -5.150 0.000 4.371) 6.755 3.102 ( -0.954 0.000 -5.218) 5.304 3.128 ( -4.121 0.000 -2.977) 5.083 3.387 ( 1.286 0.000 -0.406) 1.348 3.466 ( 0.816 0.000 -7.502) 7.547 3.481 ( -8.161 0.000 1.455) 8.290 3.552 ( -6.051 0.000 -4.518) 7.551 3.675 ( -8.629 0.000 4.666) 9.810 3.819 ( -6.617 0.000 -9.140) 11.284 4.146 ( 2.717 0.000 7.299) 7.788 4.219 ( 0.820 0.000 -0.377) 0.902 4.295 ( 4.893 0.000 3.728) 6.151 4.373 ( 5.303 0.000 6.852) 8.664 4.384 ( 5.535 0.000 -4.483) 7.123 4.451 ( 0.448 0.000 -1.257) 1.335 4.473 ( 3.444 0.000 4.752) 5.868 4.620 ( 1.792 0.000 -8.046) 8.243 4.691 ( 17.859 0.000 2.923) 18.097 4.787 ( 19.038 0.000 -5.067) 19.701 4.985 ( 12.078 0.000 4.739) 12.975 5.026 ( 8.909 0.000 3.056) 9.419 5.054 ( 16.319 0.000 -1.696) 16.407 5.093 ( 6.487 0.000 -3.553) 7.396 5.379 ( 16.371 0.000 6.409) 17.580 5.390 ( 1.196 0.000 1.078) 1.610 5.429 ( 0.961 0.000 -2.762) 2.925 5.482 ( 15.326 0.000 -2.247) 15.490 5.926 ( 14.654 0.000 3.162) 14.991 6.039 ( 11.149 0.000 -5.194) 12.300 6.422 ( 4.838 0.000 3.252) 5.830 6.482 ( 3.367 0.000 -1.713) 3.778 7.486 ( 17.655 0.000 1.508) 17.719 7.509 ( 17.673 0.000 -0.642) 17.685 8.168 ( -41.689 0.000 0.319) 41.690 8.189 ( -41.761 0.000 -1.651) 41.793 8.506 ( -11.996 0.000 7.177) 13.979 8.586 ( -12.821 0.000 -0.531) 12.832 9.251 ( 12.701 0.000 1.709) 12.815 9.322 ( 13.648 0.000 -5.041) 14.550 9.989 ( -8.951 0.000 -0.472) 8.964 10.057 ( -8.205 0.000 -6.926) 10.737 12.653 ( 8.831 0.000 3.985) 9.688 12.739 ( 8.059 0.000 -4.245) 9.109 12.899 ( 1.335 0.000 0.742) 1.528 12.914 ( -0.646 0.000 -0.575) 0.865 13.935 ( 1.678 0.000 2.923) 3.370 13.997 ( 3.095 0.000 -3.100) 4.380 14.555 ( 65.526 0.000 14.517) 67.115 14.704 ( -17.959 0.000 14.191) 22.890 14.968 ( 61.158 0.000 -26.463) 66.638 15.009 ( -22.279 0.000 -15.186) 26.963 15.621 ( 7.704 0.000 4.759) 9.055 15.734 ( 10.382 0.000 -6.309) 12.149 16.670 ( 3.091 0.000 1.739) 3.546 16.720 ( 2.941 0.000 -3.235) 4.372 18.156 ( -27.167 0.000 7.388) 28.154 18.282 ( -27.995 0.000 -4.991) 28.436 21.434 ( 2.447 0.000 5.138) 5.691 21.500 ( 0.166 0.000 -1.245) 1.256 21.744 ( -8.516 0.000 5.375) 10.071 21.808 ( -9.588 0.000 -0.698) 9.613 ======================= Grid point 139 (50/60) ======================= q-point: ( 0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 12.747 0.000 4.993) 13.690 1.840 ( 2.082 0.000 -10.667) 10.868 1.929 ( 10.216 0.000 8.458) 13.263 2.045 ( -0.437 0.000 1.405) 1.471 2.119 ( -12.827 0.000 0.289) 12.830 2.151 ( 4.298 0.000 -3.145) 5.326 2.217 ( -16.322 0.000 -8.887) 18.584 2.219 ( -1.842 0.000 -5.191) 5.508 2.850 ( 1.317 0.000 6.634) 6.763 2.920 ( -5.023 0.000 2.612) 5.661 2.988 ( 3.791 0.000 4.000) 5.511 3.019 ( 0.981 0.000 -3.616) 3.747 3.052 ( -3.189 0.000 -4.583) 5.583 3.068 ( -3.532 0.000 -3.320) 4.848 3.391 ( -0.520 0.000 1.472) 1.561 3.416 ( 2.753 0.000 3.090) 4.138 3.442 ( -4.919 0.000 -3.040) 5.782 3.497 ( -4.051 0.000 1.852) 4.454 3.568 ( 3.447 0.000 -5.390) 6.397 3.687 ( -7.074 0.000 -10.024) 12.269 4.182 ( 1.510 0.000 3.584) 3.889 4.208 ( -1.251 0.000 0.993) 1.598 4.373 ( 3.470 0.000 5.114) 6.181 4.407 ( 0.907 0.000 1.953) 2.153 4.421 ( -1.145 0.000 3.426) 3.612 4.428 ( -1.398 0.000 -0.234) 1.417 4.548 ( 4.276 0.000 -4.345) 6.096 4.613 ( -2.225 0.000 -7.308) 7.640 4.898 ( 7.457 0.000 5.593) 9.321 4.976 ( 3.841 0.000 0.856) 3.935 5.042 ( -0.806 0.000 2.632) 2.753 5.118 ( -4.272 0.000 -2.066) 4.745 5.174 ( 5.495 0.000 -0.051) 5.495 5.198 ( 3.132 0.000 -2.499) 4.007 5.402 ( 0.535 0.000 0.283) 0.605 5.424 ( -1.286 0.000 -1.884) 2.281 6.029 ( 28.993 0.000 5.765) 29.560 6.068 ( 25.735 0.000 3.104) 25.921 6.169 ( 9.764 0.000 -0.872) 9.803 6.221 ( 5.018 0.000 -3.398) 6.061 6.570 ( 20.345 0.000 3.059) 20.574 6.598 ( 19.106 0.000 0.221) 19.107 7.322 ( -46.387 0.000 0.670) 46.392 7.346 ( -46.008 0.000 -1.664) 46.038 7.806 ( 14.239 0.000 3.120) 14.576 7.832 ( 13.494 0.000 0.625) 13.509 8.279 ( -9.837 0.000 5.055) 11.060 8.329 ( -12.998 0.000 0.278) 13.001 9.513 ( 14.379 0.000 0.419) 14.385 9.594 ( 14.528 0.000 -7.298) 16.258 9.777 ( -12.936 0.000 -0.207) 12.938 9.856 ( -12.572 0.000 -7.690) 14.737 12.788 ( 5.173 0.000 2.743) 5.855 12.835 ( 1.382 0.000 -1.391) 1.960 12.899 ( -0.103 0.000 0.324) 0.340 12.915 ( -0.333 0.000 -1.100) 1.149 14.048 ( 10.149 0.000 5.138) 11.376 14.150 ( 10.026 0.000 -4.021) 10.802 14.384 ( -11.973 0.000 7.669) 14.219 14.581 ( -21.686 0.000 -10.550) 24.116 15.463 ( 27.823 0.000 10.696) 29.808 15.667 ( 6.517 0.000 -0.090) 6.518 15.767 ( 11.942 0.000 -6.639) 13.663 15.883 ( 2.209 0.000 -10.235) 10.471 16.936 ( 25.947 0.000 1.461) 25.988 16.994 ( 29.397 0.000 -4.574) 29.751 17.558 ( -34.803 0.000 5.190) 35.188 17.669 ( -36.075 0.000 -5.878) 36.551 21.494 ( 3.597 0.000 3.313) 4.890 21.522 ( 1.615 0.000 0.736) 1.774 21.618 ( -4.122 0.000 3.812) 5.614 21.652 ( -6.427 0.000 0.511) 6.447 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 8.095 17.215) 19.023 1.544 ( 0.000 0.602 14.306) 14.319 1.786 ( 0.000 5.348 -12.239) 13.356 1.788 ( 0.000 -5.175 -4.114) 6.612 2.192 ( 0.000 2.484 2.273) 3.367 2.207 ( 0.000 -5.944 0.903) 6.012 2.430 ( 0.000 5.367 6.112) 8.134 2.531 ( 0.000 3.655 -4.695) 5.950 2.535 ( 0.000 6.120 8.922) 10.819 2.686 ( 0.000 1.737 -7.140) 7.348 2.796 ( 0.000 5.549 10.295) 11.695 2.884 ( 0.000 4.668 5.229) 7.009 3.211 ( 0.000 2.377 10.639) 10.901 3.438 ( 0.000 -9.664 -8.449) 12.836 3.450 ( 0.000 4.806 1.356) 4.993 3.460 ( 0.000 6.344 -0.120) 6.345 3.577 ( 0.000 1.715 -13.300) 13.410 3.587 ( 0.000 -1.193 -13.127) 13.181 3.699 ( 0.000 0.346 0.192) 0.396 3.704 ( 0.000 -0.425 -1.293) 1.361 3.860 ( 0.000 -0.413 11.544) 11.552 3.987 ( 0.000 -4.317 4.953) 6.571 4.087 ( 0.000 -1.817 1.709) 2.495 4.093 ( 0.000 -1.465 5.782) 5.965 4.184 ( 0.000 1.497 1.608) 2.197 4.311 ( 0.000 -0.319 -9.851) 9.856 4.353 ( 0.000 0.951 -0.416) 1.038 4.371 ( 0.000 -0.077 -1.236) 1.238 4.553 ( 0.000 -10.577 -1.432) 10.674 4.561 ( 0.000 -7.945 -0.662) 7.972 4.812 ( 0.000 -6.575 3.835) 7.612 4.843 ( 0.000 -4.871 8.033) 9.395 4.844 ( 0.000 1.564 16.133) 16.209 4.982 ( 0.000 -2.793 -1.403) 3.126 5.284 ( 0.000 6.529 -7.287) 9.784 5.292 ( 0.000 2.586 4.464) 5.159 5.427 ( 0.000 5.749 -5.869) 8.216 5.430 ( 0.000 0.398 -19.826) 19.830 5.596 ( 0.000 4.365 -1.399) 4.584 5.672 ( 0.000 -4.092 -11.517) 12.223 6.209 ( 0.000 -4.875 1.451) 5.087 6.228 ( 0.000 -3.575 -0.773) 3.658 6.919 ( 0.000 1.280 -2.195) 2.541 6.948 ( 0.000 0.498 -4.705) 4.731 8.813 ( 0.000 -2.086 5.667) 6.039 8.845 ( 0.000 -3.007 2.683) 4.030 9.050 ( 0.000 9.913 9.226) 13.543 9.148 ( 0.000 10.673 0.069) 10.673 9.822 ( 0.000 -2.421 -0.395) 2.453 9.844 ( 0.000 -1.574 -2.294) 2.782 9.912 ( 0.000 -0.295 -0.805) 0.857 9.962 ( 0.000 -1.149 -5.410) 5.531 11.035 ( 0.000 -0.034 -0.004) 0.034 11.035 ( 0.000 -0.036 -0.010) 0.038 12.300 ( 0.000 1.327 2.121) 2.502 12.344 ( 0.000 0.454 -2.156) 2.203 12.889 ( 0.000 0.098 0.342) 0.356 12.896 ( 0.000 -0.094 -0.313) 0.327 14.084 ( 0.000 0.789 0.957) 1.240 14.106 ( 0.000 0.192 -1.122) 1.138 15.297 ( 0.000 0.186 5.749) 5.752 15.353 ( 0.000 -0.774 -1.878) 2.031 15.378 ( 0.000 4.741 10.143) 11.196 15.701 ( 0.000 -3.661 -18.640) 18.996 16.772 ( 0.000 1.459 0.731) 1.632 16.815 ( 0.000 0.555 -3.788) 3.829 18.905 ( 0.000 1.900 8.380) 8.592 19.039 ( 0.000 -1.258 -4.919) 5.077 21.458 ( 0.000 5.491 9.913) 11.332 21.608 ( 0.000 4.386 -4.941) 6.607 22.092 ( 0.000 -6.722 4.828) 8.276 22.168 ( 0.000 -11.840 -1.974) 12.004 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.11 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 2.227 5.972 18.031) 19.124 1.761 ( 4.020 3.372 -7.618) 9.250 1.851 ( 6.915 9.490 13.297) 17.739 2.051 ( 1.210 -7.964 5.915) 9.993 2.108 ( 3.384 -5.866 -1.476) 6.931 2.204 ( 13.779 5.598 -13.491) 20.080 2.496 ( 3.713 10.697 6.723) 13.168 2.520 ( 3.583 2.688 5.126) 6.807 2.671 ( 12.146 2.531 -1.712) 12.524 2.736 ( 6.999 3.722 -7.104) 10.644 2.852 ( 5.859 1.379 9.429) 11.186 2.935 ( 6.856 -2.190 1.828) 7.425 3.211 ( 0.377 3.752 9.540) 10.259 3.379 ( -5.218 2.355 -2.573) 6.276 3.443 ( -0.967 3.850 1.298) 4.176 3.459 ( -0.004 -3.021 -2.918) 4.201 3.511 ( -6.083 -0.724 -3.445) 7.029 3.565 ( -0.724 2.422 -10.730) 11.024 3.768 ( 6.447 -0.012 0.519) 6.468 3.792 ( 7.566 -1.638 -2.496) 8.134 3.857 ( -0.695 -1.031 2.438) 2.737 3.952 ( -4.827 -1.982 -3.500) 6.284 4.065 ( 1.223 -1.620 7.529) 7.798 4.136 ( 1.469 0.251 6.158) 6.336 4.188 ( 0.331 -0.641 -2.162) 2.279 4.277 ( -1.263 0.956 -6.589) 6.776 4.349 ( 0.297 0.103 2.408) 2.429 4.435 ( 5.023 -0.575 -4.972) 7.091 4.526 ( -2.401 -8.999 1.618) 9.453 4.554 ( -1.159 -7.575 -1.694) 7.848 4.758 ( -4.157 -5.518 6.046) 9.181 4.781 ( -2.333 -8.188 1.887) 8.721 4.880 ( -0.261 1.696 12.602) 12.719 4.965 ( -1.110 -3.147 -0.489) 3.373 5.283 ( 1.449 3.989 1.306) 4.440 5.343 ( 2.900 3.792 -0.900) 4.858 5.439 ( 1.684 5.594 -2.722) 6.445 5.470 ( 4.787 1.431 -13.770) 14.648 5.581 ( -1.718 2.804 0.084) 3.290 5.715 ( 3.192 -3.941 -12.694) 13.670 6.184 ( 1.609 -1.654 2.168) 3.166 6.244 ( 3.674 -2.433 -3.453) 5.599 6.988 ( 7.300 1.292 -1.513) 7.566 7.017 ( 7.253 0.569 -4.101) 8.352 8.822 ( -0.278 -1.039 5.901) 5.998 8.870 ( 1.710 -2.450 1.229) 3.231 9.003 ( -2.853 6.876 7.939) 10.883 9.074 ( -4.790 7.175 1.624) 8.779 9.464 ( -25.090 -0.702 -1.304) 25.134 9.479 ( -25.698 -0.242 -2.450) 25.816 10.076 ( 5.149 -0.916 -1.291) 5.387 10.107 ( 5.533 -1.365 -4.322) 7.152 11.715 ( 63.885 0.849 5.049) 64.090 11.877 ( 75.010 -3.513 -11.477) 75.965 12.354 ( 5.748 1.549 2.401) 6.419 12.406 ( 6.771 0.589 -2.708) 7.316 12.884 ( 0.007 0.402 0.914) 0.999 12.907 ( 0.695 -0.243 -1.134) 1.352 14.049 ( -3.430 0.912 1.328) 3.790 14.078 ( -2.845 0.167 -1.441) 3.193 15.259 ( -6.515 2.685 12.017) 13.931 15.374 ( 2.992 0.782 1.906) 3.633 15.408 ( 4.485 0.247 -1.180) 4.644 15.617 ( -8.609 -3.070 -17.691) 19.912 16.752 ( -1.947 1.508 0.817) 2.595 16.795 ( -2.040 0.598 -3.586) 4.169 18.828 ( -8.207 1.744 8.278) 11.787 18.958 ( -8.649 -1.309 -4.565) 9.867 21.449 ( -0.770 4.922 9.227) 10.486 21.587 ( -1.974 3.999 -4.457) 6.305 22.027 ( -6.505 -6.523 4.962) 10.463 22.096 ( -6.942 -9.989 -1.204) 12.224 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.22 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 1.642 0.381 17.295) 17.377 1.750 ( -3.939 1.319 1.878) 4.559 1.827 ( -0.879 7.507 1.596) 7.725 1.960 ( -0.825 7.125 -5.074) 8.786 2.169 ( -0.256 4.975 5.726) 7.590 2.327 ( -1.231 7.389 -7.884) 10.876 2.582 ( 1.166 1.856 2.625) 3.420 2.660 ( 2.920 -2.973 -3.104) 5.196 2.852 ( 6.319 -0.384 -0.497) 6.350 2.886 ( 4.092 4.683 -4.962) 7.956 2.961 ( -1.073 -4.226 6.444) 7.780 3.048 ( -1.479 -5.344 -2.983) 6.297 3.215 ( -5.680 4.147 4.879) 8.560 3.280 ( -5.064 2.759 -1.392) 5.932 3.430 ( -0.470 5.474 1.929) 5.823 3.530 ( 2.665 1.429 -2.870) 4.169 3.559 ( 5.240 1.488 -1.561) 5.667 3.595 ( 4.269 -1.831 -1.941) 5.034 3.834 ( -1.989 3.056 2.071) 4.193 3.861 ( 15.508 -1.734 4.751) 16.312 3.922 ( 4.071 0.402 -3.652) 5.484 3.992 ( 16.833 -0.922 -5.610) 17.767 4.100 ( 2.858 -2.832 5.431) 6.759 4.177 ( 3.885 -0.529 4.920) 6.291 4.208 ( 5.507 -3.450 -5.694) 8.640 4.297 ( 3.520 -0.183 -5.766) 6.758 4.399 ( 4.149 -0.546 5.151) 6.637 4.477 ( 1.580 -3.315 2.388) 4.381 4.525 ( -0.486 -5.315 -2.127) 5.746 4.563 ( 5.976 -0.458 -6.359) 8.739 4.735 ( 2.367 -7.188 3.675) 8.413 4.772 ( 2.808 -8.452 -0.369) 8.914 4.881 ( 2.328 -2.306 7.318) 8.018 4.966 ( 1.406 -4.572 -0.794) 4.849 5.304 ( 0.524 4.067 3.204) 5.204 5.379 ( 0.705 2.340 -2.476) 3.479 5.476 ( 1.826 5.933 1.377) 6.359 5.535 ( -0.298 4.320 -3.290) 5.438 5.661 ( 12.909 1.395 1.805) 13.109 5.819 ( 8.687 -2.863 -8.477) 12.471 6.298 ( 8.033 0.217 0.878) 8.084 6.366 ( 7.387 -1.353 -4.528) 8.769 7.193 ( 14.135 1.384 -0.142) 14.204 7.218 ( 13.713 0.819 -2.394) 13.945 8.729 ( -9.688 1.801 7.451) 12.354 8.810 ( -8.900 0.768 -0.003) 8.933 8.872 ( -29.642 0.497 1.522) 29.685 8.913 ( -32.986 0.203 -1.961) 33.045 9.075 ( 4.159 1.461 2.081) 4.875 9.108 ( 6.876 0.801 -0.932) 6.985 10.097 ( -2.629 -0.460 -1.180) 2.918 10.141 ( -1.920 -1.352 -5.331) 5.826 12.489 ( 9.302 1.186 2.873) 9.807 12.554 ( 10.273 -0.376 -3.393) 10.825 12.880 ( 0.941 -0.028 2.028) 2.236 12.913 ( 0.660 -0.582 -0.786) 1.180 13.159 ( 79.555 2.675 10.127) 80.242 13.481 ( 83.135 -5.716 -21.415) 86.039 13.977 ( -3.076 1.262 1.672) 3.721 14.015 ( -3.041 0.233 -1.893) 3.589 15.057 ( -13.841 3.919 10.770) 17.970 15.348 ( -15.149 -3.947 -16.016) 22.396 15.488 ( 6.325 1.237 2.130) 6.787 15.548 ( 7.782 -0.039 -3.469) 8.520 16.705 ( -2.710 1.586 1.085) 3.323 16.745 ( -2.772 0.656 -3.094) 4.205 18.587 ( -17.428 1.304 7.697) 19.096 18.705 ( -18.234 -1.448 -3.845) 18.691 21.438 ( -0.095 3.555 7.421) 8.229 21.545 ( -2.174 2.991 -2.998) 4.760 21.871 ( -9.118 -5.424 5.510) 11.955 21.937 ( -9.168 -6.513 -0.762) 11.272 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 3.111 -0.783 12.016) 12.437 1.710 ( 0.595 -5.433 -4.544) 7.107 1.888 ( 7.534 12.759 5.535) 15.818 2.039 ( 6.300 8.455 -8.148) 13.326 2.169 ( 0.644 6.005 5.188) 7.962 2.295 ( -2.377 5.876 -6.234) 8.891 2.458 ( -14.479 1.780 -1.438) 14.659 2.533 ( -14.488 -1.365 -6.969) 16.135 2.856 ( -1.573 -1.063 4.358) 4.754 2.908 ( -0.695 -2.090 1.782) 2.833 2.965 ( 5.237 -2.613 3.051) 6.600 3.051 ( -1.150 -1.239 -2.589) 3.092 3.107 ( -2.284 3.889 0.870) 4.593 3.161 ( -6.623 2.036 -2.363) 7.321 3.433 ( -0.838 3.415 0.655) 3.577 3.465 ( -6.695 -0.424 -0.003) 6.708 3.514 ( -3.231 3.038 -4.648) 6.424 3.542 ( -3.156 0.571 -5.473) 6.343 3.706 ( -9.102 3.179 4.217) 10.524 3.842 ( -6.571 2.055 -8.721) 11.111 4.116 ( 2.568 -3.266 4.803) 6.351 4.156 ( 1.390 -5.990 0.099) 6.150 4.266 ( 4.876 -3.049 4.463) 7.279 4.313 ( 5.187 -3.843 1.939) 6.740 4.374 ( 2.478 -1.913 1.576) 3.505 4.432 ( 5.090 -0.238 -3.530) 6.199 4.508 ( 3.654 1.469 4.863) 6.258 4.614 ( 11.250 -6.084 3.074) 13.154 4.651 ( 2.400 1.692 -7.395) 7.957 4.714 ( 13.282 -6.605 -5.285) 15.747 4.850 ( 5.314 -7.394 6.477) 11.175 4.947 ( 7.907 -6.568 -2.614) 10.606 5.100 ( 26.648 0.342 1.193) 26.677 5.125 ( 25.681 -0.938 -1.317) 25.732 5.332 ( 4.963 3.039 3.578) 6.831 5.399 ( 3.561 1.566 -2.035) 4.391 5.530 ( 6.564 6.304 1.646) 9.248 5.571 ( 7.297 4.949 -1.425) 8.931 5.932 ( 14.438 0.709 2.541) 14.677 6.023 ( 11.704 -1.539 -4.124) 12.505 6.424 ( 4.752 0.246 2.584) 5.415 6.473 ( 3.580 -0.869 -1.432) 3.953 7.506 ( 18.102 1.804 1.330) 18.241 7.524 ( 18.131 1.391 -0.432) 18.190 8.169 ( -41.684 0.089 0.253) 41.685 8.184 ( -41.536 -0.432 -1.137) 41.554 8.530 ( -12.896 2.183 6.390) 14.557 8.596 ( -13.364 0.714 0.123) 13.384 9.257 ( 12.489 0.648 1.125) 12.557 9.315 ( 13.253 -0.725 -4.330) 13.961 9.986 ( -8.804 -0.181 -1.121) 8.877 10.042 ( -8.222 -1.425 -6.421) 10.529 12.667 ( 8.827 1.448 3.249) 9.516 12.739 ( 8.331 -0.058 -3.654) 9.098 12.895 ( 0.947 -0.341 0.842) 1.312 12.910 ( -0.606 -0.454 -0.472) 0.892 13.947 ( 1.964 1.193 2.442) 3.353 13.999 ( 3.146 0.099 -2.579) 4.069 14.568 ( 61.215 1.308 14.226) 62.860 14.678 ( -3.663 -2.318 13.587) 14.262 14.979 ( 45.906 0.800 -24.741) 52.154 15.002 ( -15.129 -0.601 -16.495) 22.390 15.631 ( 7.702 1.006 3.825) 8.658 15.723 ( 9.788 -1.106 -5.230) 11.152 16.685 ( 2.646 1.355 1.355) 3.267 16.725 ( 2.502 0.367 -2.636) 3.653 18.162 ( -27.507 0.711 6.332) 28.236 18.265 ( -28.181 -1.691 -3.749) 28.479 21.452 ( 1.666 1.988 5.188) 5.800 21.517 ( -0.532 1.713 -1.016) 2.062 21.710 ( -7.448 -3.372 5.133) 9.653 21.767 ( -8.350 -3.887 -0.438) 9.221 ======================= Grid point 148 (55/60) ======================= q-point: ( 0.44 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 13.519 0.360 3.673) 14.014 1.802 ( 7.651 -2.925 -7.644) 11.204 2.007 ( -4.003 4.304 1.677) 6.112 2.055 ( -8.204 1.033 -0.160) 8.270 2.134 ( -3.037 3.019 0.833) 4.363 2.210 ( 1.781 5.383 -1.625) 5.898 2.249 ( -8.724 3.875 -5.058) 10.803 2.290 ( -3.612 5.760 -4.245) 8.016 2.873 ( 2.945 2.004 5.908) 6.899 2.951 ( 3.024 0.827 -0.988) 3.287 2.960 ( -4.271 1.701 4.394) 6.359 3.041 ( -5.204 -0.082 -3.342) 6.185 3.055 ( 4.032 0.976 0.190) 4.153 3.113 ( -0.982 3.538 -4.455) 5.773 3.351 ( -1.892 -3.583 1.191) 4.224 3.392 ( -5.123 -3.486 -2.558) 6.704 3.466 ( 0.842 4.093 2.183) 4.714 3.522 ( -4.363 2.644 1.800) 5.410 3.606 ( 2.961 2.845 -5.136) 6.575 3.712 ( -6.717 1.938 -9.658) 11.923 4.144 ( 0.911 -3.269 2.290) 4.093 4.157 ( -0.512 -4.285 0.882) 4.405 4.332 ( 1.739 -5.502 2.615) 6.336 4.345 ( 0.005 -5.475 1.612) 5.708 4.416 ( 3.115 1.642 3.628) 5.056 4.472 ( -1.778 3.114 2.234) 4.225 4.563 ( 4.457 1.241 -3.758) 5.960 4.639 ( -2.859 2.483 -6.896) 7.867 4.771 ( 6.362 -10.443 5.468) 13.395 4.859 ( -1.018 -11.509 3.889) 12.191 4.881 ( 4.749 -8.336 -1.675) 9.739 4.970 ( -2.680 -9.014 -3.482) 10.028 5.329 ( 3.729 8.953 0.683) 9.722 5.348 ( 2.051 8.361 -1.150) 8.685 5.450 ( 1.345 3.614 0.224) 3.863 5.467 ( -0.054 3.277 -1.431) 3.576 6.035 ( 28.216 0.566 5.320) 28.718 6.066 ( 25.806 -0.249 3.293) 26.016 6.172 ( 9.299 0.282 -0.964) 9.353 6.214 ( 5.444 -0.693 -3.028) 6.268 6.570 ( 20.438 -0.006 2.934) 20.648 6.593 ( 19.395 -0.472 0.546) 19.408 7.321 ( -46.541 -0.012 0.493) 46.544 7.340 ( -46.150 -0.521 -1.322) 46.172 7.842 ( 15.633 3.385 3.016) 16.277 7.866 ( 15.275 3.133 0.685) 15.608 8.278 ( -11.922 -0.082 4.898) 12.890 8.322 ( -14.281 -0.754 0.679) 14.317 9.516 ( 14.234 0.373 -0.303) 14.242 9.582 ( 14.379 -1.189 -6.560) 15.849 9.777 ( -12.791 0.093 -0.936) 12.825 9.842 ( -12.513 -1.394 -7.036) 14.423 12.800 ( 4.879 1.176 2.266) 5.506 12.840 ( 1.688 0.534 -1.353) 2.228 12.895 ( -0.244 -0.406 0.257) 0.538 12.907 ( -0.201 -0.779 -0.754) 1.103 14.067 ( 10.637 1.854 4.316) 11.628 14.156 ( 11.677 0.338 -4.028) 12.356 14.385 ( -14.295 0.403 7.564) 16.178 14.550 ( -20.790 -3.005 -7.736) 22.385 15.510 ( 26.763 4.581 7.164) 28.081 15.689 ( 9.389 1.993 -3.114) 10.090 15.765 ( 10.701 -0.238 -4.172) 11.488 15.869 ( 2.952 -1.504 -8.484) 9.108 16.935 ( 25.521 0.028 1.039) 25.542 16.982 ( 28.320 -1.142 -3.758) 28.591 17.558 ( -35.131 0.120 4.261) 35.389 17.648 ( -36.179 -1.989 -4.742) 36.543 21.499 ( 2.996 0.598 3.276) 4.479 21.526 ( 1.036 0.429 0.815) 1.386 21.601 ( -3.497 -1.646 3.681) 5.337 21.632 ( -5.597 -1.997 0.689) 5.982 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 0.000 2.785 9.197) 9.610 1.580 ( 0.000 6.248 10.271) 12.022 1.684 ( 0.000 -3.999 4.281) 5.858 1.751 ( 0.000 -6.897 0.569) 6.920 2.276 ( 0.000 8.768 0.622) 8.790 2.321 ( 0.000 7.130 -1.169) 7.225 2.487 ( 0.000 1.388 -0.392) 1.443 2.581 ( 0.000 -1.759 -7.957) 8.149 2.596 ( 0.000 1.804 0.576) 1.894 2.622 ( 0.000 -3.907 -2.154) 4.462 2.993 ( 0.000 5.892 3.838) 7.032 2.994 ( 0.000 11.216 12.097) 16.496 3.206 ( 0.000 -3.710 11.223) 11.821 3.216 ( 0.000 -10.959 -0.245) 10.962 3.540 ( 0.000 1.919 -4.203) 4.620 3.544 ( 0.000 1.275 -4.459) 4.638 3.597 ( 0.000 3.158 -5.621) 6.448 3.639 ( 0.000 0.647 -7.980) 8.006 3.710 ( 0.000 4.019 1.425) 4.264 3.725 ( 0.000 2.378 -0.050) 2.379 3.845 ( 0.000 -0.734 8.491) 8.523 3.896 ( 0.000 -4.851 5.785) 7.549 4.064 ( 0.000 -0.659 -0.198) 0.688 4.067 ( 0.000 -0.973 2.153) 2.363 4.232 ( 0.000 3.673 2.432) 4.406 4.305 ( 0.000 -1.286 -5.838) 5.978 4.344 ( 0.000 -2.787 2.819) 3.965 4.350 ( 0.000 -1.105 -1.542) 1.897 4.415 ( 0.000 -2.146 -2.967) 3.662 4.436 ( 0.000 -4.111 -1.780) 4.480 4.676 ( 0.000 -4.053 -3.648) 5.453 4.715 ( 0.000 -6.821 -6.547) 9.455 4.871 ( 0.000 1.264 17.881) 17.925 4.908 ( 0.000 -3.075 14.315) 14.641 5.400 ( 0.000 7.027 7.266) 10.108 5.407 ( 0.000 3.596 -15.641) 16.049 5.435 ( 0.000 0.229 -21.070) 21.071 5.524 ( 0.000 1.312 -0.439) 1.383 5.564 ( 0.000 -2.865 -5.273) 6.001 5.625 ( 0.000 -1.729 -4.160) 4.505 6.147 ( 0.000 -1.067 -0.819) 1.345 6.164 ( 0.000 -2.526 -2.194) 3.346 6.944 ( 0.000 1.101 -2.902) 3.104 6.955 ( 0.000 0.024 -3.802) 3.802 8.796 ( 0.000 0.057 4.503) 4.503 8.808 ( 0.000 -1.151 3.387) 3.578 9.235 ( 0.000 8.134 9.093) 12.200 9.297 ( 0.000 2.921 3.716) 4.727 9.777 ( 0.000 -1.064 -1.378) 1.741 9.801 ( 0.000 -2.648 -3.023) 4.019 9.916 ( 0.000 0.690 -2.382) 2.480 9.936 ( 0.000 -1.341 -4.340) 4.543 11.035 ( 0.000 -0.019 -0.013) 0.023 11.035 ( 0.000 -0.019 -0.013) 0.023 12.328 ( 0.000 1.429 0.971) 1.728 12.346 ( 0.000 -0.368 -0.771) 0.855 12.891 ( 0.000 0.127 0.034) 0.132 12.893 ( 0.000 -0.131 -0.190) 0.231 14.100 ( 0.000 0.701 0.343) 0.780 14.108 ( 0.000 -0.104 -0.408) 0.421 15.310 ( 0.000 1.096 0.419) 1.173 15.334 ( 0.000 -1.221 -1.367) 1.833 15.487 ( 0.000 6.338 1.341) 6.479 15.607 ( 0.000 -5.911 -10.439) 11.996 16.802 ( 0.000 1.485 -0.289) 1.513 16.820 ( 0.000 -0.252 -2.084) 2.099 18.952 ( 0.000 2.818 4.380) 5.208 19.004 ( 0.000 -2.414 -0.745) 2.526 21.615 ( 0.000 10.623 8.330) 13.500 21.719 ( 0.000 5.786 -2.369) 6.252 21.908 ( 0.000 -12.561 4.298) 13.276 21.932 ( 0.000 -9.042 1.193) 9.120 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.11 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -1.114 6.905 14.067) 15.710 1.710 ( -3.282 -7.716 2.985) 8.901 1.939 ( 22.276 2.117 4.467) 22.818 1.993 ( 21.176 -3.485 0.133) 21.461 2.183 ( -4.605 13.837 5.132) 15.460 2.375 ( 9.558 4.612 -4.270) 11.439 2.465 ( -2.671 -1.069 -0.590) 2.936 2.618 ( 3.341 -3.806 -6.851) 8.519 2.706 ( 9.978 2.781 0.437) 10.367 2.751 ( 14.344 -0.840 -2.029) 14.512 2.941 ( -3.025 6.709 6.255) 9.659 2.975 ( -3.018 4.040 0.619) 5.080 3.227 ( 3.650 -1.389 10.128) 10.855 3.282 ( 5.650 -7.712 2.837) 9.973 3.462 ( -5.509 2.007 -0.725) 5.908 3.489 ( -5.563 -0.883 -1.994) 5.975 3.574 ( -2.150 5.226 -0.751) 5.700 3.619 ( -1.478 1.223 -5.478) 5.804 3.763 ( 5.929 0.524 0.360) 5.963 3.781 ( 5.732 0.171 -0.040) 5.735 3.853 ( 0.372 1.505 -0.878) 1.781 3.908 ( -1.684 -2.815 -3.550) 4.833 4.069 ( 2.989 1.947 6.103) 7.069 4.116 ( 3.182 -2.160 4.342) 5.801 4.205 ( -2.939 2.293 -0.809) 3.814 4.264 ( -3.174 -2.854 -4.037) 5.875 4.353 ( 0.604 1.147 1.544) 2.016 4.402 ( 0.781 -3.095 -0.110) 3.194 4.419 ( 2.568 -1.943 -5.069) 6.005 4.423 ( 1.081 -4.187 -0.206) 4.329 4.622 ( -3.858 -4.823 -3.074) 6.899 4.643 ( -5.142 -5.858 -4.414) 8.958 4.886 ( -0.374 -0.274 14.450) 14.458 4.898 ( -1.336 -2.160 11.218) 11.502 5.387 ( 0.650 5.577 1.066) 5.715 5.430 ( 0.969 2.291 -5.746) 6.262 5.497 ( 5.218 1.193 -9.814) 11.179 5.531 ( 0.868 1.825 -3.039) 3.649 5.570 ( 1.886 -0.341 -3.365) 3.872 5.644 ( 1.776 -3.469 -7.630) 8.567 6.171 ( 4.530 0.441 -1.307) 4.735 6.197 ( 4.949 -2.116 -3.444) 6.390 7.014 ( 7.329 1.124 -2.235) 7.744 7.025 ( 7.343 0.004 -3.207) 8.013 8.819 ( 1.657 0.529 4.052) 4.410 8.837 ( 2.338 -1.274 2.324) 3.535 9.130 ( -7.722 5.413 8.341) 12.590 9.171 ( -8.887 1.755 5.049) 10.370 9.456 ( -24.136 0.197 -2.570) 24.274 9.470 ( -24.564 -0.807 -3.268) 24.793 10.063 ( 5.707 -0.101 -2.423) 6.200 10.077 ( 5.745 -1.468 -3.770) 7.026 11.744 ( 65.536 2.289 1.460) 65.592 11.803 ( 69.395 -3.766 -4.390) 69.636 12.387 ( 6.479 1.684 1.079) 6.781 12.409 ( 6.989 -0.479 -1.030) 7.081 12.893 ( 0.367 0.425 -0.017) 0.562 12.900 ( 0.553 -0.377 -0.703) 0.970 14.068 ( -3.164 0.872 0.513) 3.321 14.078 ( -2.931 -0.221 -0.516) 2.984 15.315 ( -2.066 2.851 0.277) 3.532 15.361 ( 1.856 -1.824 -2.403) 3.542 15.453 ( -1.088 4.033 0.526) 4.211 15.540 ( -6.090 -4.677 -9.108) 11.913 16.784 ( -1.888 1.490 -0.172) 2.411 16.801 ( -1.941 -0.197 -1.908) 2.729 18.872 ( -8.539 2.675 4.440) 9.989 18.922 ( -8.704 -2.401 -0.513) 9.044 21.588 ( -2.471 9.350 7.988) 12.543 21.686 ( -3.241 4.636 -1.814) 5.940 21.855 ( -4.879 -9.514 4.750) 11.700 21.896 ( -3.823 -9.042 0.359) 9.824 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.22 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -2.260 3.553 11.384) 12.137 1.630 ( -4.262 -6.982 2.580) 8.577 2.081 ( -0.075 9.756 0.828) 9.791 2.114 ( 2.615 4.936 -4.083) 6.919 2.292 ( 5.091 8.791 8.102) 12.994 2.435 ( -0.081 0.319 -1.399) 1.437 2.577 ( 4.361 0.440 1.327) 4.579 2.653 ( -1.677 -0.235 -4.299) 4.620 2.806 ( 0.461 -1.537 1.938) 2.516 2.874 ( -2.777 -5.479 2.006) 6.462 2.966 ( -0.910 3.008 -8.054) 8.645 2.994 ( -0.486 -0.400 -5.462) 5.498 3.272 ( -3.504 2.082 5.091) 6.521 3.303 ( -3.993 -0.547 1.184) 4.201 3.515 ( 2.312 0.775 1.575) 2.903 3.533 ( 2.261 -0.795 2.151) 3.220 3.566 ( 6.475 3.018 0.413) 7.156 3.613 ( 2.665 0.263 -1.881) 3.272 3.857 ( 10.392 2.047 2.190) 10.815 3.904 ( 6.527 -0.343 -0.657) 6.569 3.914 ( 6.467 2.472 -1.729) 7.136 3.965 ( 11.138 -1.589 -5.473) 12.511 4.089 ( -0.424 1.638 2.614) 3.114 4.137 ( 2.726 -3.009 -0.937) 4.167 4.183 ( 3.213 1.710 4.336) 5.662 4.264 ( 5.032 -4.218 0.194) 6.569 4.339 ( 0.397 -1.649 0.311) 1.725 4.406 ( 1.949 -6.440 -3.225) 7.461 4.488 ( 7.369 3.224 0.490) 8.059 4.547 ( 7.278 -1.008 -4.954) 8.861 4.604 ( 4.739 -5.724 -1.705) 7.624 4.614 ( 3.475 -5.511 -2.930) 7.144 4.847 ( -1.590 -0.039 8.331) 8.481 4.882 ( -0.415 -3.363 4.919) 5.973 5.400 ( 0.377 4.447 2.311) 5.025 5.435 ( -0.254 1.338 -0.868) 1.615 5.555 ( 2.300 2.653 -0.121) 3.513 5.579 ( 1.882 0.339 -2.426) 3.089 5.698 ( 11.953 2.466 -1.706) 12.323 5.756 ( 10.424 -3.437 -5.378) 12.223 6.310 ( 8.254 1.077 -1.620) 8.480 6.336 ( 7.994 -1.585 -3.615) 8.916 7.220 ( 14.261 1.134 -0.785) 14.327 7.230 ( 14.108 0.161 -1.660) 14.206 8.771 ( -10.049 2.421 5.863) 11.884 8.809 ( -8.997 -1.155 3.052) 9.570 8.886 ( -30.029 1.001 -0.321) 30.047 8.906 ( -30.083 -0.918 -1.458) 30.132 9.110 ( 2.454 1.699 1.561) 3.368 9.123 ( 3.450 0.367 0.361) 3.489 10.093 ( -2.261 0.285 -2.630) 3.480 10.111 ( -2.023 -1.473 -4.300) 4.976 12.517 ( 10.081 1.508 0.968) 10.240 12.541 ( 10.535 -1.001 -1.427) 10.678 12.884 ( 1.590 0.486 1.868) 2.501 12.898 ( 1.459 -0.876 0.826) 1.892 13.235 ( 78.797 5.258 2.367) 79.008 13.354 ( 79.979 -6.926 -8.659) 80.744 14.001 ( -2.781 1.110 0.701) 3.075 14.015 ( -2.861 -0.296 -0.623) 2.943 15.151 ( -13.430 5.499 -1.684) 14.609 15.257 ( -13.821 -5.399 -10.962) 18.448 15.515 ( 6.346 1.460 0.524) 6.533 15.539 ( 6.772 -0.932 -1.764) 7.060 16.737 ( -2.704 1.489 0.117) 3.089 16.753 ( -2.753 -0.102 -1.502) 3.137 18.622 ( -18.026 2.256 4.294) 18.668 18.668 ( -18.334 -2.348 -0.163) 18.484 21.538 ( -2.432 6.539 6.831) 9.764 21.613 ( -3.927 2.381 -0.253) 4.599 21.747 ( -6.038 -5.152 4.325) 9.040 21.797 ( -6.148 -7.053 -0.426) 9.366 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 3.501 2.326 6.143) 7.443 1.599 ( 2.273 -5.261 -0.458) 5.749 2.122 ( 3.773 8.089 0.837) 8.964 2.166 ( 2.578 2.901 -3.629) 5.313 2.322 ( -1.806 9.369 4.355) 10.488 2.408 ( -4.327 4.929 -3.405) 7.390 2.475 ( -15.143 -1.955 -2.874) 15.537 2.508 ( -11.639 -0.681 -3.967) 12.316 2.823 ( 2.649 -1.311 3.731) 4.760 2.863 ( 6.335 -4.547 5.562) 9.578 2.933 ( 0.757 2.681 -2.728) 3.899 3.008 ( 2.411 -3.473 -4.722) 6.339 3.178 ( -5.807 2.515 0.205) 6.332 3.192 ( -6.943 0.851 -0.884) 7.050 3.440 ( -7.046 0.410 -0.143) 7.059 3.469 ( -5.009 -1.950 -3.271) 6.292 3.569 ( -2.090 4.841 1.309) 5.433 3.612 ( -0.814 1.971 -1.947) 2.888 3.789 ( -10.657 5.278 0.567) 11.906 3.866 ( -8.660 -1.044 -5.888) 10.524 4.042 ( 4.788 -2.702 0.753) 5.549 4.051 ( 4.656 -3.206 -0.766) 5.705 4.210 ( 0.040 -1.529 3.117) 3.472 4.241 ( -0.065 -3.705 -0.337) 3.721 4.349 ( 6.567 -0.054 4.411) 7.911 4.397 ( 9.027 -4.695 4.062) 10.955 4.487 ( 9.180 0.533 -1.714) 9.353 4.551 ( 7.585 -3.792 -2.059) 8.726 4.605 ( 3.040 0.522 0.983) 3.238 4.671 ( 4.354 -3.201 -2.460) 5.938 4.757 ( -0.244 0.622 2.066) 2.172 4.829 ( 3.322 -5.397 -2.746) 6.907 5.087 ( 39.122 -0.210 0.328) 39.124 5.098 ( 37.308 -1.225 -0.672) 37.334 5.416 ( 1.821 3.730 2.009) 4.611 5.442 ( 1.474 1.174 -0.232) 1.899 5.616 ( 5.891 2.639 0.349) 6.464 5.631 ( 5.701 1.150 -0.800) 5.871 5.954 ( 13.812 1.508 0.805) 13.918 5.988 ( 12.838 -1.967 -1.684) 13.096 6.433 ( 4.441 0.805 1.052) 4.634 6.453 ( 4.008 -1.137 -0.482) 4.194 7.540 ( 18.867 1.323 0.819) 18.931 7.547 ( 18.891 0.591 0.135) 18.901 8.171 ( -41.634 0.179 0.068) 41.634 8.176 ( -41.509 -0.336 -0.365) 41.512 8.575 ( -14.048 2.127 4.426) 14.881 8.601 ( -14.144 -0.472 1.983) 14.290 9.275 ( 12.161 1.132 -0.427) 12.221 9.297 ( 12.446 -1.094 -2.508) 12.743 9.988 ( -8.495 0.596 -2.877) 8.988 10.010 ( -8.289 -1.619 -4.953) 9.791 12.702 ( 8.884 1.893 1.179) 9.160 12.731 ( 8.821 -0.998 -1.630) 9.025 12.892 ( 0.085 0.060 0.595) 0.604 12.899 ( -0.429 -0.595 -0.082) 0.738 13.974 ( 2.564 1.436 0.993) 3.102 13.995 ( 3.031 -0.655 -1.020) 3.264 14.598 ( 46.031 1.712 13.759) 48.074 14.634 ( 21.659 -2.081 13.459) 25.586 14.988 ( 14.828 0.214 -21.009) 25.716 14.993 ( 8.860 -0.322 -20.302) 22.153 15.658 ( 7.884 1.771 1.094) 8.155 15.694 ( 8.648 -1.849 -2.425) 9.170 16.713 ( 1.932 1.317 0.288) 2.356 16.728 ( 1.863 -0.219 -1.218) 2.237 18.185 ( -28.152 1.701 3.392) 28.407 18.225 ( -28.412 -2.326 -0.502) 28.511 21.508 ( -0.514 3.678 5.048) 6.267 21.554 ( -2.059 0.917 1.093) 2.505 21.640 ( -4.949 -2.241 3.338) 6.376 21.680 ( -5.823 -4.542 -0.161) 7.386 ======================= Grid point 157 (60/60) ======================= q-point: ( 0.44 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 14.208 1.934 0.397) 14.344 1.743 ( 12.755 -3.034 -3.879) 13.673 2.033 ( -18.312 0.747 -3.177) 18.600 2.055 ( -16.776 -1.282 -4.787) 17.493 2.252 ( 3.928 6.324 2.238) 7.774 2.304 ( 2.186 1.638 -2.501) 3.703 2.335 ( -3.715 4.852 1.518) 6.297 2.375 ( -4.143 1.701 -2.023) 4.915 2.922 ( 5.695 3.443 4.284) 7.914 2.968 ( 2.450 0.889 0.376) 2.634 3.019 ( -3.162 1.668 0.534) 3.615 3.033 ( 2.865 -1.364 -0.324) 3.189 3.075 ( 3.019 2.917 1.837) 4.582 3.143 ( 4.007 -1.988 -3.394) 5.615 3.295 ( -8.820 -0.706 0.301) 8.854 3.325 ( -9.127 -2.992 -1.898) 9.791 3.559 ( 0.801 4.860 1.339) 5.104 3.610 ( -3.055 5.473 -3.920) 7.393 3.633 ( -0.146 -0.203 -1.490) 1.511 3.717 ( -6.511 -2.640 -7.376) 10.186 4.102 ( 1.752 0.267 0.444) 1.827 4.109 ( 1.299 0.785 -0.251) 1.538 4.204 ( 0.030 -6.529 1.073) 6.617 4.219 ( -1.316 -6.823 -0.206) 6.952 4.463 ( 5.648 3.415 6.120) 9.001 4.538 ( 2.554 1.046 5.767) 6.393 4.572 ( 1.344 -1.414 5.394) 5.736 4.623 ( 5.611 0.478 -4.050) 6.936 4.671 ( -3.186 -7.588 6.893) 10.735 4.703 ( -2.321 3.194 -6.195) 7.347 4.721 ( 4.725 -6.333 -5.918) 9.872 4.813 ( -3.365 -7.029 -5.596) 9.594 5.459 ( 2.848 4.282 0.488) 5.165 5.467 ( 2.692 3.764 -0.408) 4.646 5.499 ( 2.239 1.042 0.068) 2.471 5.509 ( 1.671 0.534 -0.866) 1.956 6.048 ( 26.854 0.677 4.455) 27.229 6.059 ( 26.083 -0.477 3.763) 26.358 6.181 ( 8.088 0.723 -1.376) 8.236 6.198 ( 6.609 -0.941 -2.181) 7.023 6.572 ( 20.426 0.331 2.370) 20.566 6.582 ( 20.001 -0.615 1.401) 20.060 7.323 ( -46.721 0.194 0.021) 46.721 7.330 ( -46.529 -0.505 -0.635) 46.536 7.908 ( 19.032 2.744 2.480) 19.388 7.920 ( 19.310 1.648 1.314) 19.425 8.280 ( -16.670 0.456 3.890) 17.124 8.300 ( -17.195 -1.438 1.972) 17.367 9.529 ( 14.024 1.048 -2.206) 14.235 9.555 ( 14.098 -1.522 -4.605) 14.909 9.785 ( -12.532 0.857 -2.883) 12.887 9.811 ( -12.434 -1.672 -5.243) 13.597 12.829 ( 4.281 1.630 0.938) 4.676 12.849 ( 3.260 -0.065 -0.964) 3.400 12.885 ( -0.924 -0.457 0.345) 1.087 12.890 ( -0.489 -0.796 -0.162) 0.948 14.110 ( 11.991 2.446 1.849) 12.377 14.149 ( 13.244 -1.317 -1.844) 13.436 14.413 ( -17.765 2.666 4.458) 18.509 14.480 ( -19.282 -3.971 -1.704) 19.760 15.616 ( 24.453 5.789 -0.601) 25.136 15.701 ( 21.243 -2.273 -8.420) 22.964 15.775 ( 3.023 2.162 1.064) 3.866 15.827 ( 3.614 -2.761 -4.040) 6.083 16.940 ( 25.084 0.565 -0.144) 25.091 16.958 ( 26.154 -1.208 -1.924) 26.253 17.569 ( -35.820 1.160 1.663) 35.877 17.604 ( -36.230 -2.362 -1.808) 36.352 21.519 ( 1.475 1.422 3.164) 3.770 21.538 ( 0.235 0.452 1.407) 1.496 21.566 ( -2.560 -1.183 2.977) 4.100 21.587 ( -3.771 -2.304 1.050) 4.542 =================== 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 3/22680 10.0 303.555 343.318 318.242 0.000 0.000 -0.000 3/22680 20.0 65.099 77.983 55.209 0.000 0.000 0.000 3/22680 30.0 25.037 28.266 18.795 0.000 0.000 0.000 3/22680 40.0 13.689 14.713 9.637 0.000 0.000 0.000 3/22680 50.0 9.319 9.479 6.211 0.000 0.000 0.000 3/22680 60.0 7.236 6.908 4.555 0.000 0.000 0.000 3/22680 70.0 6.109 5.428 3.611 0.000 0.000 0.000 3/22680 80.0 5.447 4.479 3.010 0.000 0.000 0.000 3/22680 90.0 5.033 3.823 2.598 0.000 0.000 0.000 3/22680 100.0 4.756 3.343 2.299 0.000 0.000 0.000 3/22680 110.0 4.558 2.978 2.074 0.000 0.000 0.000 3/22680 120.0 4.405 2.691 1.899 0.000 0.000 0.000 3/22680 130.0 4.278 2.459 1.760 0.000 0.000 0.000 3/22680 140.0 4.165 2.268 1.646 0.000 0.000 0.000 3/22680 150.0 4.062 2.108 1.551 0.000 0.000 0.000 3/22680 160.0 3.964 1.971 1.471 0.000 0.000 0.000 3/22680 170.0 3.869 1.853 1.403 0.000 0.000 0.000 3/22680 180.0 3.777 1.750 1.343 0.000 0.000 0.000 3/22680 190.0 3.688 1.660 1.290 0.000 0.000 0.000 3/22680 200.0 3.600 1.579 1.243 0.000 0.000 0.000 3/22680 210.0 3.514 1.507 1.201 0.000 0.000 0.000 3/22680 220.0 3.431 1.442 1.162 0.000 0.000 0.000 3/22680 230.0 3.350 1.383 1.127 0.000 0.000 0.000 3/22680 240.0 3.270 1.329 1.094 0.000 0.000 0.000 3/22680 250.0 3.194 1.280 1.064 0.000 0.000 0.000 3/22680 260.0 3.119 1.235 1.036 0.000 0.000 0.000 3/22680 270.0 3.047 1.193 1.009 0.000 0.000 0.000 3/22680 280.0 2.977 1.154 0.984 0.000 0.000 0.000 3/22680 290.0 2.909 1.117 0.960 0.000 0.000 0.000 3/22680 300.0 2.844 1.083 0.938 0.000 0.000 0.000 3/22680 310.0 2.780 1.051 0.916 0.000 0.000 0.000 3/22680 320.0 2.719 1.022 0.896 0.000 0.000 0.000 3/22680 330.0 2.660 0.993 0.876 0.000 0.000 0.000 3/22680 340.0 2.603 0.967 0.858 0.000 0.000 0.000 3/22680 350.0 2.548 0.942 0.840 0.000 0.000 0.000 3/22680 360.0 2.495 0.918 0.822 0.000 0.000 0.000 3/22680 370.0 2.444 0.895 0.806 0.000 0.000 0.000 3/22680 380.0 2.394 0.874 0.790 0.000 0.000 0.000 3/22680 390.0 2.346 0.853 0.775 0.000 0.000 0.000 3/22680 400.0 2.300 0.834 0.760 0.000 0.000 0.000 3/22680 410.0 2.256 0.815 0.746 0.000 0.000 0.000 3/22680 420.0 2.212 0.798 0.732 0.000 0.000 0.000 3/22680 430.0 2.171 0.781 0.719 0.000 0.000 0.000 3/22680 440.0 2.130 0.764 0.706 0.000 0.000 0.000 3/22680 450.0 2.091 0.749 0.693 0.000 0.000 0.000 3/22680 460.0 2.053 0.734 0.681 0.000 0.000 0.000 3/22680 470.0 2.017 0.719 0.670 0.000 0.000 0.000 3/22680 480.0 1.982 0.705 0.659 0.000 0.000 0.000 3/22680 490.0 1.947 0.692 0.648 0.000 0.000 0.000 3/22680 500.0 1.914 0.679 0.637 0.000 0.000 0.000 3/22680 510.0 1.882 0.667 0.627 0.000 0.000 0.000 3/22680 520.0 1.851 0.655 0.617 0.000 0.000 0.000 3/22680 530.0 1.820 0.644 0.607 0.000 0.000 0.000 3/22680 540.0 1.791 0.632 0.598 0.000 0.000 0.000 3/22680 550.0 1.763 0.622 0.589 0.000 0.000 0.000 3/22680 560.0 1.735 0.611 0.580 0.000 0.000 0.000 3/22680 570.0 1.708 0.601 0.571 0.000 0.000 0.000 3/22680 580.0 1.682 0.592 0.563 0.000 0.000 0.000 3/22680 590.0 1.657 0.582 0.555 0.000 0.000 0.000 3/22680 600.0 1.632 0.573 0.547 0.000 0.000 0.000 3/22680 610.0 1.608 0.564 0.539 0.000 0.000 0.000 3/22680 620.0 1.585 0.556 0.532 0.000 0.000 0.000 3/22680 630.0 1.562 0.547 0.524 0.000 0.000 0.000 3/22680 640.0 1.540 0.539 0.517 0.000 0.000 0.000 3/22680 650.0 1.519 0.531 0.510 0.000 0.000 0.000 3/22680 660.0 1.498 0.524 0.504 0.000 0.000 0.000 3/22680 670.0 1.477 0.516 0.497 0.000 0.000 0.000 3/22680 680.0 1.458 0.509 0.490 0.000 0.000 0.000 3/22680 690.0 1.438 0.502 0.484 0.000 0.000 0.000 3/22680 700.0 1.419 0.495 0.478 0.000 0.000 0.000 3/22680 710.0 1.401 0.489 0.472 0.000 0.000 0.000 3/22680 720.0 1.383 0.482 0.466 0.000 0.000 0.000 3/22680 730.0 1.366 0.476 0.461 0.000 0.000 0.000 3/22680 740.0 1.349 0.470 0.455 0.000 0.000 0.000 3/22680 750.0 1.332 0.464 0.450 0.000 0.000 0.000 3/22680 760.0 1.316 0.458 0.444 0.000 0.000 0.000 3/22680 770.0 1.300 0.452 0.439 0.000 0.000 0.000 3/22680 780.0 1.284 0.447 0.434 0.000 0.000 0.000 3/22680 790.0 1.269 0.441 0.429 0.000 0.000 0.000 3/22680 800.0 1.254 0.436 0.424 0.000 0.000 0.000 3/22680 810.0 1.240 0.431 0.419 0.000 0.000 0.000 3/22680 820.0 1.226 0.426 0.415 0.000 0.000 0.000 3/22680 830.0 1.212 0.421 0.410 0.000 0.000 0.000 3/22680 840.0 1.198 0.416 0.406 0.000 0.000 0.000 3/22680 850.0 1.185 0.412 0.401 0.000 0.000 0.000 3/22680 860.0 1.172 0.407 0.397 0.000 0.000 0.000 3/22680 870.0 1.159 0.402 0.393 0.000 0.000 0.000 3/22680 880.0 1.147 0.398 0.389 0.000 0.000 0.000 3/22680 890.0 1.135 0.394 0.385 0.000 0.000 0.000 3/22680 900.0 1.123 0.390 0.381 0.000 0.000 0.000 3/22680 910.0 1.111 0.385 0.377 0.000 0.000 0.000 3/22680 920.0 1.099 0.381 0.373 0.000 0.000 0.000 3/22680 930.0 1.088 0.377 0.369 0.000 0.000 0.000 3/22680 940.0 1.077 0.373 0.366 0.000 0.000 0.000 3/22680 950.0 1.066 0.370 0.362 0.000 0.000 0.000 3/22680 960.0 1.056 0.366 0.359 0.000 0.000 0.000 3/22680 970.0 1.045 0.362 0.355 0.000 0.000 0.000 3/22680 980.0 1.035 0.359 0.352 0.000 0.000 0.000 3/22680 990.0 1.025 0.355 0.348 0.000 0.000 0.000 3/22680 1000.0 1.016 0.352 0.345 0.000 0.000 0.000 3/22680 Thermal conductivity related properties were written into "kappa-m957.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:35:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|