----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:00:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.951450299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.374396379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.792087960000000 Atomic positions (fractional): *1 Sr 0.74806113157355 0.25000000000000 0.14994364886096 87.620 2 Sr 0.24806113157355 0.25000000000000 0.35005635113904 87.620 3 Sr 0.75193886842645 0.75000000000000 0.64994364886096 87.620 4 Sr 0.25193886842645 0.75000000000000 0.85005635113904 87.620 *5 Ho 0.42364196372390 0.75000000000000 0.11068557811789 164.930 *6 Ho 0.07838637874765 0.25000000000000 0.11136944604085 164.930 7 Ho 0.42161362125235 0.75000000000000 0.61136944604085 164.930 8 Ho 0.07635803627610 0.25000000000000 0.61068557811789 164.930 9 Ho 0.92364196372390 0.75000000000000 0.38931442188211 164.930 10 Ho 0.92161362125235 0.75000000000000 0.88863055395915 164.930 11 Ho 0.57635803627610 0.25000000000000 0.88931442188211 164.930 12 Ho 0.57838637874765 0.25000000000000 0.38863055395915 164.930 *13 O 0.57344662385260 0.25000000000000 0.57791740235680 15.999 *14 O 0.12601060014602 0.75000000000000 0.48081703885774 15.999 *15 O 0.48593020983797 0.25000000000000 0.21661068281683 15.999 16 O 0.51406979016203 0.75000000000000 0.78338931718316 15.999 17 O 0.01406979016203 0.75000000000000 0.71661068281684 15.999 18 O 0.62601060014602 0.75000000000000 0.01918296114227 15.999 *19 O 0.28798918102894 0.25000000000000 0.67466729192879 15.999 20 O 0.92655337614740 0.75000000000000 0.07791740235680 15.999 21 O 0.21201081897106 0.75000000000000 0.17466729192879 15.999 22 O 0.87398939985398 0.25000000000000 0.51918296114227 15.999 23 O 0.71201081897106 0.75000000000000 0.32533270807121 15.999 24 O 0.78798918102894 0.25000000000000 0.82533270807121 15.999 25 O 0.98593020983797 0.25000000000000 0.28338931718317 15.999 26 O 0.42655337614740 0.75000000000000 0.42208259764320 15.999 27 O 0.07344662385260 0.25000000000000 0.92208259764320 15.999 28 O 0.37398939985398 0.25000000000000 0.98081703885773 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.951450299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.374396379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.792087960000000 Atomic positions (fractional): *1 Sr 0.74806113157355 0.25000000000000 0.14994364886096 87.620 > 1 2 Sr 0.24806113157355 0.25000000000000 0.35005635113904 87.620 > 2 3 Sr 0.75193886842645 0.75000000000000 0.64994364886096 87.620 > 3 4 Sr 0.25193886842645 0.75000000000000 0.85005635113904 87.620 > 4 *5 Ho 0.42364196372390 0.75000000000000 0.11068557811789 164.930 > 5 *6 Ho 0.07838637874765 0.25000000000000 0.11136944604085 164.930 > 6 7 Ho 0.42161362125235 0.75000000000000 0.61136944604085 164.930 > 7 8 Ho 0.07635803627610 0.25000000000000 0.61068557811789 164.930 > 8 9 Ho 0.92364196372390 0.75000000000000 0.38931442188211 164.930 > 9 10 Ho 0.92161362125235 0.75000000000000 0.88863055395915 164.930 > 10 11 Ho 0.57635803627610 0.25000000000000 0.88931442188211 164.930 > 11 12 Ho 0.57838637874765 0.25000000000000 0.38863055395915 164.930 > 12 *13 O 0.57344662385260 0.25000000000000 0.57791740235680 15.999 > 13 *14 O 0.12601060014602 0.75000000000000 0.48081703885774 15.999 > 14 *15 O 0.48593020983797 0.25000000000000 0.21661068281683 15.999 > 15 16 O 0.51406979016203 0.75000000000000 0.78338931718316 15.999 > 16 17 O 0.01406979016203 0.75000000000000 0.71661068281684 15.999 > 17 18 O 0.62601060014602 0.75000000000000 0.01918296114227 15.999 > 18 *19 O 0.28798918102894 0.25000000000000 0.67466729192879 15.999 > 19 20 O 0.92655337614740 0.75000000000000 0.07791740235680 15.999 > 20 21 O 0.21201081897106 0.75000000000000 0.17466729192879 15.999 > 21 22 O 0.87398939985398 0.25000000000000 0.51918296114227 15.999 > 22 23 O 0.71201081897106 0.75000000000000 0.32533270807121 15.999 > 23 24 O 0.78798918102894 0.25000000000000 0.82533270807121 15.999 > 24 25 O 0.98593020983797 0.25000000000000 0.28338931718317 15.999 > 25 26 O 0.42655337614740 0.75000000000000 0.42208259764320 15.999 > 26 27 O 0.07344662385260 0.25000000000000 0.92208259764320 15.999 > 27 28 O 0.37398939985398 0.25000000000000 0.98081703885773 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.951450299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.123189139999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.792087960000000 Atomic positions (fractional): *1 Sr 0.74806113157355 0.08333333333333 0.14994364886096 87.620 > 1 2 Sr 0.74806113157355 0.41666666666667 0.14994364886096 87.620 > 1 3 Sr 0.74806113157355 0.75000000000000 0.14994364886096 87.620 > 1 4 Sr 0.24806113157355 0.08333333333333 0.35005635113904 87.620 > 2 5 Sr 0.24806113157355 0.41666666666667 0.35005635113904 87.620 > 2 6 Sr 0.24806113157355 0.75000000000000 0.35005635113904 87.620 > 2 7 Sr 0.75193886842645 0.25000000000000 0.64994364886096 87.620 > 3 8 Sr 0.75193886842645 0.58333333333333 0.64994364886096 87.620 > 3 9 Sr 0.75193886842645 0.91666666666667 0.64994364886096 87.620 > 3 10 Sr 0.25193886842645 0.25000000000000 0.85005635113904 87.620 > 4 11 Sr 0.25193886842645 0.58333333333333 0.85005635113904 87.620 > 4 12 Sr 0.25193886842645 0.91666666666667 0.85005635113904 87.620 > 4 *13 Ho 0.42364196372390 0.25000000000000 0.11068557811789 164.930 > 5 14 Ho 0.42364196372390 0.58333333333333 0.11068557811789 164.930 > 5 15 Ho 0.42364196372390 0.91666666666667 0.11068557811789 164.930 > 5 *16 Ho 0.07838637874765 0.08333333333333 0.11136944604085 164.930 > 6 17 Ho 0.07838637874765 0.41666666666667 0.11136944604085 164.930 > 6 18 Ho 0.07838637874765 0.75000000000000 0.11136944604085 164.930 > 6 19 Ho 0.42161362125235 0.25000000000000 0.61136944604085 164.930 > 7 20 Ho 0.42161362125235 0.58333333333333 0.61136944604085 164.930 > 7 21 Ho 0.42161362125235 0.91666666666667 0.61136944604085 164.930 > 7 22 Ho 0.07635803627610 0.08333333333333 0.61068557811789 164.930 > 8 23 Ho 0.07635803627610 0.41666666666667 0.61068557811789 164.930 > 8 24 Ho 0.07635803627610 0.75000000000000 0.61068557811789 164.930 > 8 25 Ho 0.92364196372390 0.25000000000000 0.38931442188211 164.930 > 9 26 Ho 0.92364196372390 0.58333333333333 0.38931442188211 164.930 > 9 27 Ho 0.92364196372390 0.91666666666667 0.38931442188211 164.930 > 9 28 Ho 0.92161362125235 0.25000000000000 0.88863055395915 164.930 > 10 29 Ho 0.92161362125235 0.58333333333333 0.88863055395915 164.930 > 10 30 Ho 0.92161362125235 0.91666666666667 0.88863055395915 164.930 > 10 31 Ho 0.57635803627610 0.08333333333333 0.88931442188211 164.930 > 11 32 Ho 0.57635803627610 0.41666666666667 0.88931442188211 164.930 > 11 33 Ho 0.57635803627610 0.75000000000000 0.88931442188211 164.930 > 11 34 Ho 0.57838637874765 0.08333333333333 0.38863055395915 164.930 > 12 35 Ho 0.57838637874765 0.41666666666667 0.38863055395915 164.930 > 12 36 Ho 0.57838637874765 0.75000000000000 0.38863055395915 164.930 > 12 *37 O 0.57344662385260 0.08333333333333 0.57791740235680 15.999 > 13 38 O 0.57344662385260 0.41666666666667 0.57791740235680 15.999 > 13 39 O 0.57344662385260 0.75000000000000 0.57791740235680 15.999 > 13 *40 O 0.12601060014602 0.25000000000000 0.48081703885774 15.999 > 14 41 O 0.12601060014602 0.58333333333333 0.48081703885774 15.999 > 14 42 O 0.12601060014602 0.91666666666667 0.48081703885774 15.999 > 14 *43 O 0.48593020983797 0.08333333333333 0.21661068281683 15.999 > 15 44 O 0.48593020983797 0.41666666666667 0.21661068281683 15.999 > 15 45 O 0.48593020983797 0.75000000000000 0.21661068281683 15.999 > 15 46 O 0.51406979016203 0.25000000000000 0.78338931718316 15.999 > 16 47 O 0.51406979016203 0.58333333333333 0.78338931718316 15.999 > 16 48 O 0.51406979016203 0.91666666666667 0.78338931718316 15.999 > 16 49 O 0.01406979016203 0.25000000000000 0.71661068281684 15.999 > 17 50 O 0.01406979016203 0.58333333333333 0.71661068281684 15.999 > 17 51 O 0.01406979016203 0.91666666666667 0.71661068281684 15.999 > 17 52 O 0.62601060014602 0.25000000000000 0.01918296114227 15.999 > 18 53 O 0.62601060014602 0.58333333333333 0.01918296114227 15.999 > 18 54 O 0.62601060014602 0.91666666666667 0.01918296114227 15.999 > 18 *55 O 0.28798918102894 0.08333333333333 0.67466729192879 15.999 > 19 56 O 0.28798918102894 0.41666666666667 0.67466729192879 15.999 > 19 57 O 0.28798918102894 0.75000000000000 0.67466729192879 15.999 > 19 58 O 0.92655337614740 0.25000000000000 0.07791740235680 15.999 > 20 59 O 0.92655337614740 0.58333333333333 0.07791740235680 15.999 > 20 60 O 0.92655337614740 0.91666666666667 0.07791740235680 15.999 > 20 61 O 0.21201081897106 0.25000000000000 0.17466729192879 15.999 > 21 62 O 0.21201081897106 0.58333333333333 0.17466729192879 15.999 > 21 63 O 0.21201081897106 0.91666666666667 0.17466729192879 15.999 > 21 64 O 0.87398939985398 0.08333333333333 0.51918296114227 15.999 > 22 65 O 0.87398939985398 0.41666666666667 0.51918296114227 15.999 > 22 66 O 0.87398939985398 0.75000000000000 0.51918296114227 15.999 > 22 67 O 0.71201081897106 0.25000000000000 0.32533270807121 15.999 > 23 68 O 0.71201081897106 0.58333333333333 0.32533270807121 15.999 > 23 69 O 0.71201081897106 0.91666666666667 0.32533270807121 15.999 > 23 70 O 0.78798918102894 0.08333333333333 0.82533270807121 15.999 > 24 71 O 0.78798918102894 0.41666666666667 0.82533270807121 15.999 > 24 72 O 0.78798918102894 0.75000000000000 0.82533270807121 15.999 > 24 73 O 0.98593020983797 0.08333333333333 0.28338931718317 15.999 > 25 74 O 0.98593020983797 0.41666666666667 0.28338931718317 15.999 > 25 75 O 0.98593020983797 0.75000000000000 0.28338931718317 15.999 > 25 76 O 0.42655337614740 0.25000000000000 0.42208259764320 15.999 > 26 77 O 0.42655337614740 0.58333333333333 0.42208259764320 15.999 > 26 78 O 0.42655337614740 0.91666666666667 0.42208259764320 15.999 > 26 79 O 0.07344662385260 0.08333333333333 0.92208259764320 15.999 > 27 80 O 0.07344662385260 0.41666666666667 0.92208259764320 15.999 > 27 81 O 0.07344662385260 0.75000000000000 0.92208259764320 15.999 > 27 82 O 0.37398939985398 0.08333333333333 0.98081703885773 15.999 > 28 83 O 0.37398939985398 0.41666666666667 0.98081703885773 15.999 > 28 84 O 0.37398939985398 0.75000000000000 0.98081703885773 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1344410 0.0000000 0.0000000 0.0000000 4.3611049 0.0000000 0.0000000 0.0000000 4.2346602 -------------------------- Born effective charges -------------------------- 1 Sr 2.6383302 0.0000000 0.0626536 0.0000000 2.4022679 0.0000000 0.0449524 0.0000000 2.4819579 2 Sr 2.6383302 0.0000000 -0.0626536 0.0000000 2.4022679 0.0000000 -0.0449524 0.0000000 2.4819579 3 Sr 2.6383302 0.0000000 -0.0626536 0.0000000 2.4022679 0.0000000 -0.0449524 0.0000000 2.4819579 4 Sr 2.6383302 0.0000000 0.0626536 0.0000000 2.4022679 0.0000000 0.0449524 0.0000000 2.4819579 5 Ho 3.5033606 0.0000000 -0.2283820 0.0000000 4.2054260 0.0000000 -0.1267689 0.0000000 3.5569933 6 Ho 3.4559717 0.0000000 0.1892058 0.0000000 3.9964656 0.0000000 0.0801131 0.0000000 3.9929117 7 Ho 3.4559717 0.0000000 -0.1892058 0.0000000 3.9964656 0.0000000 -0.0801131 0.0000000 3.9929117 8 Ho 3.5033606 0.0000000 0.2283820 0.0000000 4.2054260 0.0000000 0.1267689 0.0000000 3.5569933 9 Ho 3.5033606 0.0000000 0.2283820 0.0000000 4.2054260 0.0000000 0.1267689 0.0000000 3.5569933 10 Ho 3.4559717 0.0000000 0.1892058 0.0000000 3.9964656 0.0000000 0.0801131 0.0000000 3.9929117 11 Ho 3.5033606 0.0000000 -0.2283820 0.0000000 4.2054260 0.0000000 -0.1267689 0.0000000 3.5569933 12 Ho 3.4559717 0.0000000 -0.1892058 0.0000000 3.9964656 0.0000000 -0.0801131 0.0000000 3.9929117 13 O -2.3587808 0.0000000 0.0018427 0.0000000 -2.6900062 0.0000000 0.1122394 0.0000000 -2.4618989 14 O -2.3669863 0.0000000 0.0186385 0.0000000 -2.6333142 0.0000000 -0.0236720 0.0000000 -2.4960002 15 O -1.9835589 0.0000000 -0.4067635 0.0000000 -2.6105696 0.0000000 -0.5625604 0.0000000 -3.0288014 16 O -1.9835589 0.0000000 -0.4067635 0.0000000 -2.6105696 0.0000000 -0.5625604 0.0000000 -3.0288014 17 O -1.9835589 0.0000000 0.4067635 0.0000000 -2.6105696 0.0000000 0.5625604 0.0000000 -3.0288014 18 O -2.3669863 0.0000000 -0.0186385 0.0000000 -2.6333142 0.0000000 0.0236720 0.0000000 -2.4960002 19 O -2.8883365 0.0000000 0.0484358 0.0000000 -2.6702693 0.0000000 0.0589260 0.0000000 -2.0451623 20 O -2.3587808 0.0000000 -0.0018427 0.0000000 -2.6900062 0.0000000 -0.1122394 0.0000000 -2.4618989 21 O -2.8883365 0.0000000 -0.0484358 0.0000000 -2.6702693 0.0000000 -0.0589260 0.0000000 -2.0451623 22 O -2.3669863 0.0000000 0.0186385 0.0000000 -2.6333142 0.0000000 -0.0236720 0.0000000 -2.4960002 23 O -2.8883365 0.0000000 0.0484358 0.0000000 -2.6702693 0.0000000 0.0589260 0.0000000 -2.0451623 24 O -2.8883365 0.0000000 -0.0484358 0.0000000 -2.6702693 0.0000000 -0.0589260 0.0000000 -2.0451623 25 O -1.9835589 0.0000000 0.4067635 0.0000000 -2.6105696 0.0000000 0.5625604 0.0000000 -3.0288014 26 O -2.3587808 0.0000000 0.0018427 0.0000000 -2.6900062 0.0000000 0.1122394 0.0000000 -2.4618989 27 O -2.3587808 0.0000000 -0.0018427 0.0000000 -2.6900062 0.0000000 -0.1122394 0.0000000 -2.4618989 28 O -2.3669863 0.0000000 -0.0186385 0.0000000 -2.6333142 0.0000000 0.0236720 0.0000000 -2.4960002 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.617 Solver_block: 200 / 480 - Time: 1.583 Solver_block: 300 / 480 - Time: 1.547 Solver_block: 400 / 480 - Time: 1.523 Solver_block: 480 / 480 - Time: 1.309 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.747 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), 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 15:01:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:01:20]------------------------- 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): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.951450299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.374396379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.792087960000000 Atomic positions (fractional): 1 Sr 0.74806113157355 0.25000000000000 0.14994364886096 87.620 2 Sr 0.24806113157355 0.25000000000000 0.35005635113904 87.620 3 Sr 0.75193886842645 0.75000000000000 0.64994364886096 87.620 4 Sr 0.25193886842645 0.75000000000000 0.85005635113904 87.620 5 Ho 0.42364196372390 0.75000000000000 0.11068557811789 164.930 6 Ho 0.07838637874765 0.25000000000000 0.11136944604085 164.930 7 Ho 0.42161362125235 0.75000000000000 0.61136944604085 164.930 8 Ho 0.07635803627610 0.25000000000000 0.61068557811789 164.930 9 Ho 0.92364196372390 0.75000000000000 0.38931442188211 164.930 10 Ho 0.92161362125235 0.75000000000000 0.88863055395915 164.930 11 Ho 0.57635803627610 0.25000000000000 0.88931442188211 164.930 12 Ho 0.57838637874765 0.25000000000000 0.38863055395915 164.930 13 O 0.57344662385260 0.25000000000000 0.57791740235680 15.999 14 O 0.12601060014602 0.75000000000000 0.48081703885774 15.999 15 O 0.48593020983797 0.25000000000000 0.21661068281683 15.999 16 O 0.51406979016203 0.75000000000000 0.78338931718316 15.999 17 O 0.01406979016203 0.75000000000000 0.71661068281684 15.999 18 O 0.62601060014602 0.75000000000000 0.01918296114227 15.999 19 O 0.28798918102894 0.25000000000000 0.67466729192879 15.999 20 O 0.92655337614740 0.75000000000000 0.07791740235680 15.999 21 O 0.21201081897106 0.75000000000000 0.17466729192879 15.999 22 O 0.87398939985398 0.25000000000000 0.51918296114227 15.999 23 O 0.71201081897106 0.75000000000000 0.32533270807121 15.999 24 O 0.78798918102894 0.25000000000000 0.82533270807121 15.999 25 O 0.98593020983797 0.25000000000000 0.28338931718317 15.999 26 O 0.42655337614740 0.75000000000000 0.42208259764320 15.999 27 O 0.07344662385260 0.25000000000000 0.92208259764320 15.999 28 O 0.37398939985398 0.25000000000000 0.98081703885773 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.951450299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.123189139999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.792087960000000 Atomic positions (fractional): 1 Sr 0.74806113157355 0.08333333333333 0.14994364886096 87.620 > 1 2 Sr 0.74806113157355 0.41666666666667 0.14994364886096 87.620 > 1 3 Sr 0.74806113157355 0.75000000000000 0.14994364886096 87.620 > 1 4 Sr 0.24806113157355 0.08333333333333 0.35005635113904 87.620 > 4 5 Sr 0.24806113157355 0.41666666666667 0.35005635113904 87.620 > 4 6 Sr 0.24806113157355 0.75000000000000 0.35005635113904 87.620 > 4 7 Sr 0.75193886842645 0.25000000000000 0.64994364886096 87.620 > 7 8 Sr 0.75193886842645 0.58333333333333 0.64994364886096 87.620 > 7 9 Sr 0.75193886842645 0.91666666666667 0.64994364886096 87.620 > 7 10 Sr 0.25193886842645 0.25000000000000 0.85005635113904 87.620 > 10 11 Sr 0.25193886842645 0.58333333333333 0.85005635113904 87.620 > 10 12 Sr 0.25193886842645 0.91666666666667 0.85005635113904 87.620 > 10 13 Ho 0.42364196372390 0.25000000000000 0.11068557811789 164.930 > 13 14 Ho 0.42364196372390 0.58333333333333 0.11068557811789 164.930 > 13 15 Ho 0.42364196372390 0.91666666666667 0.11068557811789 164.930 > 13 16 Ho 0.07838637874765 0.08333333333333 0.11136944604085 164.930 > 16 17 Ho 0.07838637874765 0.41666666666667 0.11136944604085 164.930 > 16 18 Ho 0.07838637874765 0.75000000000000 0.11136944604085 164.930 > 16 19 Ho 0.42161362125235 0.25000000000000 0.61136944604085 164.930 > 19 20 Ho 0.42161362125235 0.58333333333333 0.61136944604085 164.930 > 19 21 Ho 0.42161362125235 0.91666666666667 0.61136944604085 164.930 > 19 22 Ho 0.07635803627610 0.08333333333333 0.61068557811789 164.930 > 22 23 Ho 0.07635803627610 0.41666666666667 0.61068557811789 164.930 > 22 24 Ho 0.07635803627610 0.75000000000000 0.61068557811789 164.930 > 22 25 Ho 0.92364196372390 0.25000000000000 0.38931442188211 164.930 > 25 26 Ho 0.92364196372390 0.58333333333333 0.38931442188211 164.930 > 25 27 Ho 0.92364196372390 0.91666666666667 0.38931442188211 164.930 > 25 28 Ho 0.92161362125235 0.25000000000000 0.88863055395915 164.930 > 28 29 Ho 0.92161362125235 0.58333333333333 0.88863055395915 164.930 > 28 30 Ho 0.92161362125235 0.91666666666667 0.88863055395915 164.930 > 28 31 Ho 0.57635803627610 0.08333333333333 0.88931442188211 164.930 > 31 32 Ho 0.57635803627610 0.41666666666667 0.88931442188211 164.930 > 31 33 Ho 0.57635803627610 0.75000000000000 0.88931442188211 164.930 > 31 34 Ho 0.57838637874765 0.08333333333333 0.38863055395915 164.930 > 34 35 Ho 0.57838637874765 0.41666666666667 0.38863055395915 164.930 > 34 36 Ho 0.57838637874765 0.75000000000000 0.38863055395915 164.930 > 34 37 O 0.57344662385260 0.08333333333333 0.57791740235680 15.999 > 37 38 O 0.57344662385260 0.41666666666667 0.57791740235680 15.999 > 37 39 O 0.57344662385260 0.75000000000000 0.57791740235680 15.999 > 37 40 O 0.12601060014602 0.25000000000000 0.48081703885774 15.999 > 40 41 O 0.12601060014602 0.58333333333333 0.48081703885774 15.999 > 40 42 O 0.12601060014602 0.91666666666667 0.48081703885774 15.999 > 40 43 O 0.48593020983797 0.08333333333333 0.21661068281683 15.999 > 43 44 O 0.48593020983797 0.41666666666667 0.21661068281683 15.999 > 43 45 O 0.48593020983797 0.75000000000000 0.21661068281683 15.999 > 43 46 O 0.51406979016203 0.25000000000000 0.78338931718316 15.999 > 46 47 O 0.51406979016203 0.58333333333333 0.78338931718316 15.999 > 46 48 O 0.51406979016203 0.91666666666667 0.78338931718316 15.999 > 46 49 O 0.01406979016203 0.25000000000000 0.71661068281684 15.999 > 49 50 O 0.01406979016203 0.58333333333333 0.71661068281684 15.999 > 49 51 O 0.01406979016203 0.91666666666667 0.71661068281684 15.999 > 49 52 O 0.62601060014602 0.25000000000000 0.01918296114227 15.999 > 52 53 O 0.62601060014602 0.58333333333333 0.01918296114227 15.999 > 52 54 O 0.62601060014602 0.91666666666667 0.01918296114227 15.999 > 52 55 O 0.28798918102894 0.08333333333333 0.67466729192879 15.999 > 55 56 O 0.28798918102894 0.41666666666667 0.67466729192879 15.999 > 55 57 O 0.28798918102894 0.75000000000000 0.67466729192879 15.999 > 55 58 O 0.92655337614740 0.25000000000000 0.07791740235680 15.999 > 58 59 O 0.92655337614740 0.58333333333333 0.07791740235680 15.999 > 58 60 O 0.92655337614740 0.91666666666667 0.07791740235680 15.999 > 58 61 O 0.21201081897106 0.25000000000000 0.17466729192879 15.999 > 61 62 O 0.21201081897106 0.58333333333333 0.17466729192879 15.999 > 61 63 O 0.21201081897106 0.91666666666667 0.17466729192879 15.999 > 61 64 O 0.87398939985398 0.08333333333333 0.51918296114227 15.999 > 64 65 O 0.87398939985398 0.41666666666667 0.51918296114227 15.999 > 64 66 O 0.87398939985398 0.75000000000000 0.51918296114227 15.999 > 64 67 O 0.71201081897106 0.25000000000000 0.32533270807121 15.999 > 67 68 O 0.71201081897106 0.58333333333333 0.32533270807121 15.999 > 67 69 O 0.71201081897106 0.91666666666667 0.32533270807121 15.999 > 67 70 O 0.78798918102894 0.08333333333333 0.82533270807121 15.999 > 70 71 O 0.78798918102894 0.41666666666667 0.82533270807121 15.999 > 70 72 O 0.78798918102894 0.75000000000000 0.82533270807121 15.999 > 70 73 O 0.98593020983797 0.08333333333333 0.28338931718317 15.999 > 73 74 O 0.98593020983797 0.41666666666667 0.28338931718317 15.999 > 73 75 O 0.98593020983797 0.75000000000000 0.28338931718317 15.999 > 73 76 O 0.42655337614740 0.25000000000000 0.42208259764320 15.999 > 76 77 O 0.42655337614740 0.58333333333333 0.42208259764320 15.999 > 76 78 O 0.42655337614740 0.91666666666667 0.42208259764320 15.999 > 76 79 O 0.07344662385260 0.08333333333333 0.92208259764320 15.999 > 79 80 O 0.07344662385260 0.41666666666667 0.92208259764320 15.999 > 79 81 O 0.07344662385260 0.75000000000000 0.92208259764320 15.999 > 79 82 O 0.37398939985398 0.08333333333333 0.98081703885773 15.999 > 82 83 O 0.37398939985398 0.41666666666667 0.98081703885773 15.999 > 82 84 O 0.37398939985398 0.75000000000000 0.98081703885773 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1344410 0.0000000 0.0000000 0.0000000 4.3611049 0.0000000 0.0000000 0.0000000 4.2346602 -------------------------- Born effective charges -------------------------- 1 Sr 2.6383302 0.0000000 0.0626536 0.0000000 2.4022679 0.0000000 0.0449524 0.0000000 2.4819579 2 Sr 2.6383302 0.0000000 -0.0626536 0.0000000 2.4022679 0.0000000 -0.0449524 0.0000000 2.4819579 3 Sr 2.6383302 0.0000000 -0.0626536 0.0000000 2.4022679 0.0000000 -0.0449524 0.0000000 2.4819579 4 Sr 2.6383302 0.0000000 0.0626536 0.0000000 2.4022679 0.0000000 0.0449524 0.0000000 2.4819579 5 Ho 3.5033606 0.0000000 -0.2283820 0.0000000 4.2054260 0.0000000 -0.1267689 0.0000000 3.5569933 6 Ho 3.4559717 0.0000000 0.1892058 0.0000000 3.9964656 0.0000000 0.0801131 0.0000000 3.9929117 7 Ho 3.4559717 0.0000000 -0.1892058 0.0000000 3.9964656 0.0000000 -0.0801131 0.0000000 3.9929117 8 Ho 3.5033606 0.0000000 0.2283820 0.0000000 4.2054260 0.0000000 0.1267689 0.0000000 3.5569933 9 Ho 3.5033606 0.0000000 0.2283820 0.0000000 4.2054260 0.0000000 0.1267689 0.0000000 3.5569933 10 Ho 3.4559717 0.0000000 0.1892058 0.0000000 3.9964656 0.0000000 0.0801131 0.0000000 3.9929117 11 Ho 3.5033606 0.0000000 -0.2283820 0.0000000 4.2054260 0.0000000 -0.1267689 0.0000000 3.5569933 12 Ho 3.4559717 0.0000000 -0.1892058 0.0000000 3.9964656 0.0000000 -0.0801131 0.0000000 3.9929117 13 O -2.3587808 0.0000000 0.0018427 0.0000000 -2.6900062 0.0000000 0.1122394 0.0000000 -2.4618989 14 O -2.3669863 0.0000000 0.0186385 0.0000000 -2.6333142 0.0000000 -0.0236720 0.0000000 -2.4960002 15 O -1.9835589 0.0000000 -0.4067635 0.0000000 -2.6105696 0.0000000 -0.5625604 0.0000000 -3.0288014 16 O -1.9835589 0.0000000 -0.4067635 0.0000000 -2.6105696 0.0000000 -0.5625604 0.0000000 -3.0288014 17 O -1.9835589 0.0000000 0.4067635 0.0000000 -2.6105696 0.0000000 0.5625604 0.0000000 -3.0288014 18 O -2.3669863 0.0000000 -0.0186385 0.0000000 -2.6333142 0.0000000 0.0236720 0.0000000 -2.4960002 19 O -2.8883365 0.0000000 0.0484358 0.0000000 -2.6702693 0.0000000 0.0589260 0.0000000 -2.0451623 20 O -2.3587808 0.0000000 -0.0018427 0.0000000 -2.6900062 0.0000000 -0.1122394 0.0000000 -2.4618989 21 O -2.8883365 0.0000000 -0.0484358 0.0000000 -2.6702693 0.0000000 -0.0589260 0.0000000 -2.0451623 22 O -2.3669863 0.0000000 0.0186385 0.0000000 -2.6333142 0.0000000 -0.0236720 0.0000000 -2.4960002 23 O -2.8883365 0.0000000 0.0484358 0.0000000 -2.6702693 0.0000000 0.0589260 0.0000000 -2.0451623 24 O -2.8883365 0.0000000 -0.0484358 0.0000000 -2.6702693 0.0000000 -0.0589260 0.0000000 -2.0451623 25 O -1.9835589 0.0000000 0.4067635 0.0000000 -2.6105696 0.0000000 0.5625604 0.0000000 -3.0288014 26 O -2.3587808 0.0000000 0.0018427 0.0000000 -2.6900062 0.0000000 0.1122394 0.0000000 -2.4618989 27 O -2.3587808 0.0000000 -0.0018427 0.0000000 -2.6900062 0.0000000 -0.1122394 0.0000000 -2.4618989 28 O -2.3669863 0.0000000 -0.0186385 0.0000000 -2.6333142 0.0000000 0.0236720 0.0000000 -2.4960002 ---------------------------------------------------------------------------- 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[ 13, 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[ 16, 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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, 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[ 43, 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[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 15:01:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:01:38]------------------------- 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): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.951450299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.374396379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.792087960000000 Atomic positions (fractional): 1 Sr 0.74806113157355 0.25000000000000 0.14994364886096 87.620 2 Sr 0.24806113157355 0.25000000000000 0.35005635113904 87.620 3 Sr 0.75193886842645 0.75000000000000 0.64994364886096 87.620 4 Sr 0.25193886842645 0.75000000000000 0.85005635113904 87.620 5 Ho 0.42364196372390 0.75000000000000 0.11068557811789 164.930 6 Ho 0.07838637874765 0.25000000000000 0.11136944604085 164.930 7 Ho 0.42161362125235 0.75000000000000 0.61136944604085 164.930 8 Ho 0.07635803627610 0.25000000000000 0.61068557811789 164.930 9 Ho 0.92364196372390 0.75000000000000 0.38931442188211 164.930 10 Ho 0.92161362125235 0.75000000000000 0.88863055395915 164.930 11 Ho 0.57635803627610 0.25000000000000 0.88931442188211 164.930 12 Ho 0.57838637874765 0.25000000000000 0.38863055395915 164.930 13 O 0.57344662385260 0.25000000000000 0.57791740235680 15.999 14 O 0.12601060014602 0.75000000000000 0.48081703885774 15.999 15 O 0.48593020983797 0.25000000000000 0.21661068281683 15.999 16 O 0.51406979016203 0.75000000000000 0.78338931718316 15.999 17 O 0.01406979016203 0.75000000000000 0.71661068281684 15.999 18 O 0.62601060014602 0.75000000000000 0.01918296114227 15.999 19 O 0.28798918102894 0.25000000000000 0.67466729192879 15.999 20 O 0.92655337614740 0.75000000000000 0.07791740235680 15.999 21 O 0.21201081897106 0.75000000000000 0.17466729192879 15.999 22 O 0.87398939985398 0.25000000000000 0.51918296114227 15.999 23 O 0.71201081897106 0.75000000000000 0.32533270807121 15.999 24 O 0.78798918102894 0.25000000000000 0.82533270807121 15.999 25 O 0.98593020983797 0.25000000000000 0.28338931718317 15.999 26 O 0.42655337614740 0.75000000000000 0.42208259764320 15.999 27 O 0.07344662385260 0.25000000000000 0.92208259764320 15.999 28 O 0.37398939985398 0.25000000000000 0.98081703885773 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.951450299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.123189139999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.792087960000000 Atomic positions (fractional): 1 Sr 0.74806113157355 0.08333333333333 0.14994364886096 87.620 > 1 2 Sr 0.74806113157355 0.41666666666667 0.14994364886096 87.620 > 1 3 Sr 0.74806113157355 0.75000000000000 0.14994364886096 87.620 > 1 4 Sr 0.24806113157355 0.08333333333333 0.35005635113904 87.620 > 4 5 Sr 0.24806113157355 0.41666666666667 0.35005635113904 87.620 > 4 6 Sr 0.24806113157355 0.75000000000000 0.35005635113904 87.620 > 4 7 Sr 0.75193886842645 0.25000000000000 0.64994364886096 87.620 > 7 8 Sr 0.75193886842645 0.58333333333333 0.64994364886096 87.620 > 7 9 Sr 0.75193886842645 0.91666666666667 0.64994364886096 87.620 > 7 10 Sr 0.25193886842645 0.25000000000000 0.85005635113904 87.620 > 10 11 Sr 0.25193886842645 0.58333333333333 0.85005635113904 87.620 > 10 12 Sr 0.25193886842645 0.91666666666667 0.85005635113904 87.620 > 10 13 Ho 0.42364196372390 0.25000000000000 0.11068557811789 164.930 > 13 14 Ho 0.42364196372390 0.58333333333333 0.11068557811789 164.930 > 13 15 Ho 0.42364196372390 0.91666666666667 0.11068557811789 164.930 > 13 16 Ho 0.07838637874765 0.08333333333333 0.11136944604085 164.930 > 16 17 Ho 0.07838637874765 0.41666666666667 0.11136944604085 164.930 > 16 18 Ho 0.07838637874765 0.75000000000000 0.11136944604085 164.930 > 16 19 Ho 0.42161362125235 0.25000000000000 0.61136944604085 164.930 > 19 20 Ho 0.42161362125235 0.58333333333333 0.61136944604085 164.930 > 19 21 Ho 0.42161362125235 0.91666666666667 0.61136944604085 164.930 > 19 22 Ho 0.07635803627610 0.08333333333333 0.61068557811789 164.930 > 22 23 Ho 0.07635803627610 0.41666666666667 0.61068557811789 164.930 > 22 24 Ho 0.07635803627610 0.75000000000000 0.61068557811789 164.930 > 22 25 Ho 0.92364196372390 0.25000000000000 0.38931442188211 164.930 > 25 26 Ho 0.92364196372390 0.58333333333333 0.38931442188211 164.930 > 25 27 Ho 0.92364196372390 0.91666666666667 0.38931442188211 164.930 > 25 28 Ho 0.92161362125235 0.25000000000000 0.88863055395915 164.930 > 28 29 Ho 0.92161362125235 0.58333333333333 0.88863055395915 164.930 > 28 30 Ho 0.92161362125235 0.91666666666667 0.88863055395915 164.930 > 28 31 Ho 0.57635803627610 0.08333333333333 0.88931442188211 164.930 > 31 32 Ho 0.57635803627610 0.41666666666667 0.88931442188211 164.930 > 31 33 Ho 0.57635803627610 0.75000000000000 0.88931442188211 164.930 > 31 34 Ho 0.57838637874765 0.08333333333333 0.38863055395915 164.930 > 34 35 Ho 0.57838637874765 0.41666666666667 0.38863055395915 164.930 > 34 36 Ho 0.57838637874765 0.75000000000000 0.38863055395915 164.930 > 34 37 O 0.57344662385260 0.08333333333333 0.57791740235680 15.999 > 37 38 O 0.57344662385260 0.41666666666667 0.57791740235680 15.999 > 37 39 O 0.57344662385260 0.75000000000000 0.57791740235680 15.999 > 37 40 O 0.12601060014602 0.25000000000000 0.48081703885774 15.999 > 40 41 O 0.12601060014602 0.58333333333333 0.48081703885774 15.999 > 40 42 O 0.12601060014602 0.91666666666667 0.48081703885774 15.999 > 40 43 O 0.48593020983797 0.08333333333333 0.21661068281683 15.999 > 43 44 O 0.48593020983797 0.41666666666667 0.21661068281683 15.999 > 43 45 O 0.48593020983797 0.75000000000000 0.21661068281683 15.999 > 43 46 O 0.51406979016203 0.25000000000000 0.78338931718316 15.999 > 46 47 O 0.51406979016203 0.58333333333333 0.78338931718316 15.999 > 46 48 O 0.51406979016203 0.91666666666667 0.78338931718316 15.999 > 46 49 O 0.01406979016203 0.25000000000000 0.71661068281684 15.999 > 49 50 O 0.01406979016203 0.58333333333333 0.71661068281684 15.999 > 49 51 O 0.01406979016203 0.91666666666667 0.71661068281684 15.999 > 49 52 O 0.62601060014602 0.25000000000000 0.01918296114227 15.999 > 52 53 O 0.62601060014602 0.58333333333333 0.01918296114227 15.999 > 52 54 O 0.62601060014602 0.91666666666667 0.01918296114227 15.999 > 52 55 O 0.28798918102894 0.08333333333333 0.67466729192879 15.999 > 55 56 O 0.28798918102894 0.41666666666667 0.67466729192879 15.999 > 55 57 O 0.28798918102894 0.75000000000000 0.67466729192879 15.999 > 55 58 O 0.92655337614740 0.25000000000000 0.07791740235680 15.999 > 58 59 O 0.92655337614740 0.58333333333333 0.07791740235680 15.999 > 58 60 O 0.92655337614740 0.91666666666667 0.07791740235680 15.999 > 58 61 O 0.21201081897106 0.25000000000000 0.17466729192879 15.999 > 61 62 O 0.21201081897106 0.58333333333333 0.17466729192879 15.999 > 61 63 O 0.21201081897106 0.91666666666667 0.17466729192879 15.999 > 61 64 O 0.87398939985398 0.08333333333333 0.51918296114227 15.999 > 64 65 O 0.87398939985398 0.41666666666667 0.51918296114227 15.999 > 64 66 O 0.87398939985398 0.75000000000000 0.51918296114227 15.999 > 64 67 O 0.71201081897106 0.25000000000000 0.32533270807121 15.999 > 67 68 O 0.71201081897106 0.58333333333333 0.32533270807121 15.999 > 67 69 O 0.71201081897106 0.91666666666667 0.32533270807121 15.999 > 67 70 O 0.78798918102894 0.08333333333333 0.82533270807121 15.999 > 70 71 O 0.78798918102894 0.41666666666667 0.82533270807121 15.999 > 70 72 O 0.78798918102894 0.75000000000000 0.82533270807121 15.999 > 70 73 O 0.98593020983797 0.08333333333333 0.28338931718317 15.999 > 73 74 O 0.98593020983797 0.41666666666667 0.28338931718317 15.999 > 73 75 O 0.98593020983797 0.75000000000000 0.28338931718317 15.999 > 73 76 O 0.42655337614740 0.25000000000000 0.42208259764320 15.999 > 76 77 O 0.42655337614740 0.58333333333333 0.42208259764320 15.999 > 76 78 O 0.42655337614740 0.91666666666667 0.42208259764320 15.999 > 76 79 O 0.07344662385260 0.08333333333333 0.92208259764320 15.999 > 79 80 O 0.07344662385260 0.41666666666667 0.92208259764320 15.999 > 79 81 O 0.07344662385260 0.75000000000000 0.92208259764320 15.999 > 79 82 O 0.37398939985398 0.08333333333333 0.98081703885773 15.999 > 82 83 O 0.37398939985398 0.41666666666667 0.98081703885773 15.999 > 82 84 O 0.37398939985398 0.75000000000000 0.98081703885773 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1344410 0.0000000 0.0000000 0.0000000 4.3611049 0.0000000 0.0000000 0.0000000 4.2346602 -------------------------- Born effective charges -------------------------- 1 Sr 2.6383302 0.0000000 0.0626536 0.0000000 2.4022679 0.0000000 0.0449524 0.0000000 2.4819579 2 Sr 2.6383302 0.0000000 -0.0626536 0.0000000 2.4022679 0.0000000 -0.0449524 0.0000000 2.4819579 3 Sr 2.6383302 0.0000000 -0.0626536 0.0000000 2.4022679 0.0000000 -0.0449524 0.0000000 2.4819579 4 Sr 2.6383302 0.0000000 0.0626536 0.0000000 2.4022679 0.0000000 0.0449524 0.0000000 2.4819579 5 Ho 3.5033606 0.0000000 -0.2283820 0.0000000 4.2054260 0.0000000 -0.1267689 0.0000000 3.5569933 6 Ho 3.4559717 0.0000000 0.1892058 0.0000000 3.9964656 0.0000000 0.0801131 0.0000000 3.9929117 7 Ho 3.4559717 0.0000000 -0.1892058 0.0000000 3.9964656 0.0000000 -0.0801131 0.0000000 3.9929117 8 Ho 3.5033606 0.0000000 0.2283820 0.0000000 4.2054260 0.0000000 0.1267689 0.0000000 3.5569933 9 Ho 3.5033606 0.0000000 0.2283820 0.0000000 4.2054260 0.0000000 0.1267689 0.0000000 3.5569933 10 Ho 3.4559717 0.0000000 0.1892058 0.0000000 3.9964656 0.0000000 0.0801131 0.0000000 3.9929117 11 Ho 3.5033606 0.0000000 -0.2283820 0.0000000 4.2054260 0.0000000 -0.1267689 0.0000000 3.5569933 12 Ho 3.4559717 0.0000000 -0.1892058 0.0000000 3.9964656 0.0000000 -0.0801131 0.0000000 3.9929117 13 O -2.3587808 0.0000000 0.0018427 0.0000000 -2.6900062 0.0000000 0.1122394 0.0000000 -2.4618989 14 O -2.3669863 0.0000000 0.0186385 0.0000000 -2.6333142 0.0000000 -0.0236720 0.0000000 -2.4960002 15 O -1.9835589 0.0000000 -0.4067635 0.0000000 -2.6105696 0.0000000 -0.5625604 0.0000000 -3.0288014 16 O -1.9835589 0.0000000 -0.4067635 0.0000000 -2.6105696 0.0000000 -0.5625604 0.0000000 -3.0288014 17 O -1.9835589 0.0000000 0.4067635 0.0000000 -2.6105696 0.0000000 0.5625604 0.0000000 -3.0288014 18 O -2.3669863 0.0000000 -0.0186385 0.0000000 -2.6333142 0.0000000 0.0236720 0.0000000 -2.4960002 19 O -2.8883365 0.0000000 0.0484358 0.0000000 -2.6702693 0.0000000 0.0589260 0.0000000 -2.0451623 20 O -2.3587808 0.0000000 -0.0018427 0.0000000 -2.6900062 0.0000000 -0.1122394 0.0000000 -2.4618989 21 O -2.8883365 0.0000000 -0.0484358 0.0000000 -2.6702693 0.0000000 -0.0589260 0.0000000 -2.0451623 22 O -2.3669863 0.0000000 0.0186385 0.0000000 -2.6333142 0.0000000 -0.0236720 0.0000000 -2.4960002 23 O -2.8883365 0.0000000 0.0484358 0.0000000 -2.6702693 0.0000000 0.0589260 0.0000000 -2.0451623 24 O -2.8883365 0.0000000 -0.0484358 0.0000000 -2.6702693 0.0000000 -0.0589260 0.0000000 -2.0451623 25 O -1.9835589 0.0000000 0.4067635 0.0000000 -2.6105696 0.0000000 0.5625604 0.0000000 -3.0288014 26 O -2.3587808 0.0000000 0.0018427 0.0000000 -2.6900062 0.0000000 0.1122394 0.0000000 -2.4618989 27 O -2.3587808 0.0000000 -0.0018427 0.0000000 -2.6900062 0.0000000 -0.1122394 0.0000000 -2.4618989 28 O -2.3669863 0.0000000 -0.0186385 0.0000000 -2.6333142 0.0000000 0.0236720 0.0000000 -2.4960002 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) 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 ... [ 5 15 4 ] 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: 0.57, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 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 1.756 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 2.159 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.349 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.930 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.932 ( 0.000 0.000 0.000) 0.000 6.019 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.715 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.714 ( 0.000 0.000 0.000) 0.000 7.994 ( 0.000 0.000 0.000) 0.000 8.173 ( 0.000 0.000 0.000) 0.000 8.282 ( 0.000 0.000 0.000) 0.000 8.347 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.711 ( 0.000 0.000 0.000) 0.000 8.720 ( 0.000 0.000 0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 9.429 ( 0.000 0.000 0.000) 0.000 9.551 ( 0.000 0.000 0.000) 0.000 9.596 ( 0.000 0.000 0.000) 0.000 10.051 ( 0.000 0.000 0.000) 0.000 10.403 ( 0.000 0.000 0.000) 0.000 10.481 ( 0.000 0.000 0.000) 0.000 10.486 ( 0.000 0.000 0.000) 0.000 10.587 ( 0.000 0.000 0.000) 0.000 11.104 ( 0.000 0.000 0.000) 0.000 11.170 ( 0.000 0.000 0.000) 0.000 11.236 ( 0.000 0.000 0.000) 0.000 11.340 ( 0.000 0.000 0.000) 0.000 11.473 ( 0.000 0.000 0.000) 0.000 12.203 ( 0.000 0.000 0.000) 0.000 12.428 ( 0.000 0.000 0.000) 0.000 12.773 ( 0.000 0.000 0.000) 0.000 12.798 ( 0.000 0.000 0.000) 0.000 12.822 ( 0.000 0.000 0.000) 0.000 12.828 ( 0.000 0.000 0.000) 0.000 12.951 ( 0.000 0.000 0.000) 0.000 12.988 ( 0.000 0.000 0.000) 0.000 13.209 ( 0.000 0.000 0.000) 0.000 13.955 ( 0.000 0.000 0.000) 0.000 14.040 ( 0.000 0.000 0.000) 0.000 14.214 ( 0.000 0.000 0.000) 0.000 14.430 ( 0.000 0.000 0.000) 0.000 15.994 ( 0.000 0.000 0.000) 0.000 16.264 ( 0.000 0.000 0.000) 0.000 16.529 ( 0.000 0.000 0.000) 0.000 17.679 ( 0.000 0.000 0.000) 0.000 17.846 ( 0.000 0.000 0.000) 0.000 18.051 ( 0.000 0.000 0.000) 0.000 18.305 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 26.566 0.000 0.000) 26.566 0.557 ( 27.124 0.000 0.000) 27.124 0.919 ( 45.428 0.000 0.000) 45.428 1.748 ( -2.880 0.000 0.000) 2.880 1.872 ( -13.199 0.000 0.000) 13.199 2.028 ( -8.605 0.000 0.000) 8.605 2.078 ( 14.135 0.000 0.000) 14.135 2.211 ( -5.580 0.000 0.000) 5.580 2.219 ( -0.244 0.000 0.000) 0.244 2.346 ( 3.273 0.000 0.000) 3.273 2.482 ( 3.375 0.000 0.000) 3.375 2.594 ( 2.197 0.000 0.000) 2.197 2.650 ( -3.537 0.000 0.000) 3.537 2.663 ( -4.435 0.000 0.000) 4.435 2.736 ( 2.640 0.000 0.000) 2.640 2.810 ( 1.247 0.000 0.000) 1.247 2.952 ( -1.490 0.000 0.000) 1.490 2.992 ( 4.408 0.000 0.000) 4.408 3.019 ( -3.005 0.000 0.000) 3.005 3.229 ( -2.007 0.000 0.000) 2.007 3.312 ( 2.553 0.000 0.000) 2.553 3.336 ( -2.949 0.000 0.000) 2.949 3.536 ( -13.049 0.000 0.000) 13.049 3.680 ( 2.991 0.000 0.000) 2.991 4.165 ( 6.071 0.000 0.000) 6.071 4.372 ( -12.816 0.000 0.000) 12.816 4.434 ( 10.749 0.000 0.000) 10.749 4.780 ( -14.373 0.000 0.000) 14.373 4.789 ( 0.857 0.000 0.000) 0.857 4.914 ( -6.109 0.000 0.000) 6.109 5.196 ( 6.535 0.000 0.000) 6.535 5.469 ( 0.087 0.000 0.000) 0.087 5.480 ( -9.747 0.000 0.000) 9.747 5.509 ( -1.731 0.000 0.000) 1.731 5.865 ( 5.707 0.000 0.000) 5.707 5.961 ( 2.443 0.000 0.000) 2.443 6.035 ( 5.929 0.000 0.000) 5.929 6.387 ( 12.762 0.000 0.000) 12.762 6.665 ( -15.052 0.000 0.000) 15.052 7.119 ( -2.415 0.000 0.000) 2.415 7.726 ( 1.282 0.000 0.000) 1.282 7.945 ( -4.282 0.000 0.000) 4.282 8.316 ( 3.241 0.000 0.000) 3.241 8.325 ( 4.192 0.000 0.000) 4.192 8.347 ( 0.068 0.000 0.000) 0.068 8.459 ( -4.390 0.000 0.000) 4.390 8.582 ( -1.168 0.000 0.000) 1.168 8.720 ( -1.570 0.000 0.000) 1.570 8.827 ( 8.920 0.000 0.000) 8.920 9.077 ( 6.031 0.000 0.000) 6.031 9.384 ( -4.122 0.000 0.000) 4.122 9.557 ( -3.855 0.000 0.000) 3.855 9.773 ( 20.063 0.000 0.000) 20.063 10.071 ( 2.810 0.000 0.000) 2.810 10.411 ( 0.798 0.000 0.000) 0.798 10.473 ( 0.284 0.000 0.000) 0.284 10.478 ( -0.791 0.000 0.000) 0.791 10.502 ( -7.043 0.000 0.000) 7.043 11.178 ( 0.769 0.000 0.000) 0.769 11.184 ( 4.383 0.000 0.000) 4.383 11.231 ( -0.445 0.000 0.000) 0.445 11.458 ( 1.475 0.000 0.000) 1.475 11.458 ( 10.045 0.000 0.000) 10.045 11.857 ( -19.776 0.000 0.000) 19.776 12.163 ( -4.127 0.000 0.000) 4.127 12.415 ( -7.353 0.000 0.000) 7.353 12.775 ( 0.195 0.000 0.000) 0.195 12.795 ( -0.255 0.000 0.000) 0.255 12.823 ( 0.059 0.000 0.000) 0.059 12.828 ( -0.050 0.000 0.000) 0.050 12.951 ( 0.220 0.000 0.000) 0.220 12.959 ( -0.711 0.000 0.000) 0.711 13.926 ( -1.457 0.000 0.000) 1.457 13.937 ( -1.456 0.000 0.000) 1.456 14.244 ( 2.712 0.000 0.000) 2.712 14.415 ( -1.515 0.000 0.000) 1.515 16.004 ( 6.228 0.000 0.000) 6.228 16.271 ( 0.273 0.000 0.000) 0.273 16.548 ( 1.735 0.000 0.000) 1.735 16.625 ( -0.372 0.000 0.000) 0.372 17.764 ( 0.871 0.000 0.000) 0.871 17.840 ( -0.580 0.000 0.000) 0.580 18.063 ( 1.018 0.000 0.000) 1.018 18.251 ( -4.758 0.000 0.000) 4.758 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 24.400 0.000 0.000) 24.400 1.078 ( 24.402 0.000 0.000) 24.402 1.517 ( -20.712 0.000 0.000) 20.712 1.519 ( -18.661 0.000 0.000) 18.661 1.805 ( 41.369 0.000 0.000) 41.369 1.985 ( 3.473 0.000 0.000) 3.473 2.090 ( -6.121 0.000 0.000) 6.121 2.239 ( 1.234 0.000 0.000) 1.234 2.311 ( 4.068 0.000 0.000) 4.068 2.434 ( 5.282 0.000 0.000) 5.282 2.547 ( 2.930 0.000 0.000) 2.930 2.549 ( -5.952 0.000 0.000) 5.952 2.589 ( -26.416 0.000 0.000) 26.416 2.595 ( -1.674 0.000 0.000) 1.674 2.665 ( 8.275 0.000 0.000) 8.275 2.825 ( 4.776 0.000 0.000) 4.776 2.884 ( -10.380 0.000 0.000) 10.380 2.906 ( -3.163 0.000 0.000) 3.163 3.086 ( 4.648 0.000 0.000) 4.648 3.171 ( -3.675 0.000 0.000) 3.675 3.195 ( -1.676 0.000 0.000) 1.676 3.252 ( -5.365 0.000 0.000) 5.365 3.592 ( 14.269 0.000 0.000) 14.269 3.901 ( 4.340 0.000 0.000) 4.340 3.998 ( -4.924 0.000 0.000) 4.924 4.360 ( -20.244 0.000 0.000) 20.244 4.394 ( 11.232 0.000 0.000) 11.232 4.615 ( -6.512 0.000 0.000) 6.512 4.839 ( 5.155 0.000 0.000) 5.155 4.881 ( 4.884 0.000 0.000) 4.884 5.183 ( -5.197 0.000 0.000) 5.197 5.218 ( -9.979 0.000 0.000) 9.979 5.516 ( 3.255 0.000 0.000) 3.255 5.546 ( 0.542 0.000 0.000) 0.542 5.969 ( 3.908 0.000 0.000) 3.908 6.000 ( 0.696 0.000 0.000) 0.696 6.193 ( 8.610 0.000 0.000) 8.610 6.389 ( -11.583 0.000 0.000) 11.583 6.663 ( 14.597 0.000 0.000) 14.597 6.950 ( -12.847 0.000 0.000) 12.847 7.769 ( 3.065 0.000 0.000) 3.065 7.849 ( -4.740 0.000 0.000) 4.740 8.355 ( 0.895 0.000 0.000) 0.895 8.388 ( -2.525 0.000 0.000) 2.525 8.424 ( 6.386 0.000 0.000) 6.386 8.447 ( 7.555 0.000 0.000) 7.555 8.538 ( -3.425 0.000 0.000) 3.425 8.621 ( -7.753 0.000 0.000) 7.753 9.019 ( 9.460 0.000 0.000) 9.460 9.163 ( -1.994 0.000 0.000) 1.994 9.326 ( 2.368 0.000 0.000) 2.368 9.447 ( -6.737 0.000 0.000) 6.737 10.180 ( 7.464 0.000 0.000) 7.464 10.226 ( 20.177 0.000 0.000) 20.177 10.347 ( -7.357 0.000 0.000) 7.357 10.432 ( 1.215 0.000 0.000) 1.215 10.457 ( -1.215 0.000 0.000) 1.215 10.467 ( -2.846 0.000 0.000) 2.846 11.193 ( 0.878 0.000 0.000) 0.878 11.198 ( 1.073 0.000 0.000) 1.073 11.218 ( -0.874 0.000 0.000) 0.874 11.398 ( -18.495 0.000 0.000) 18.495 11.642 ( 14.061 0.000 0.000) 14.061 11.717 ( 8.665 0.000 0.000) 8.665 12.042 ( -6.714 0.000 0.000) 6.714 12.129 ( -16.692 0.000 0.000) 16.692 12.781 ( 0.343 0.000 0.000) 0.343 12.789 ( -0.379 0.000 0.000) 0.379 12.824 ( 0.094 0.000 0.000) 0.094 12.826 ( -0.089 0.000 0.000) 0.089 12.965 ( 0.918 0.000 0.000) 0.918 12.971 ( 0.640 0.000 0.000) 0.640 13.903 ( -0.550 0.000 0.000) 0.550 13.909 ( -1.065 0.000 0.000) 1.065 14.308 ( 3.373 0.000 0.000) 3.373 14.371 ( -2.761 0.000 0.000) 2.761 16.146 ( 6.867 0.000 0.000) 6.867 16.249 ( -3.014 0.000 0.000) 3.014 16.587 ( 1.794 0.000 0.000) 1.794 16.613 ( -0.877 0.000 0.000) 0.877 17.789 ( 1.542 0.000 0.000) 1.542 17.821 ( -1.381 0.000 0.000) 1.381 18.090 ( 1.884 0.000 0.000) 1.884 18.151 ( -4.322 0.000 0.000) 4.322 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 0.000 27.396 0.000) 27.396 0.605 ( 0.000 30.067 0.000) 30.067 1.140 ( 0.000 57.082 0.000) 57.082 1.919 ( 0.000 3.374 0.000) 3.374 1.937 ( 0.000 5.501 0.000) 5.501 1.994 ( 0.000 21.853 0.000) 21.853 2.250 ( 0.000 2.158 0.000) 2.158 2.340 ( 0.000 16.378 0.000) 16.378 2.418 ( 0.000 9.640 0.000) 9.640 2.496 ( 0.000 18.949 0.000) 18.949 2.559 ( 0.000 11.082 0.000) 11.082 2.671 ( 0.000 8.734 0.000) 8.734 2.767 ( 0.000 1.034 0.000) 1.034 2.777 ( 0.000 10.484 0.000) 10.484 2.796 ( 0.000 7.918 0.000) 7.918 2.903 ( 0.000 14.910 0.000) 14.910 2.941 ( 0.000 10.615 0.000) 10.615 3.116 ( 0.000 13.395 0.000) 13.395 3.234 ( 0.000 -0.330 0.000) 0.330 3.296 ( 0.000 17.921 0.000) 17.921 3.353 ( 0.000 0.710 0.000) 0.710 3.436 ( 0.000 17.935 0.000) 17.935 3.696 ( 0.000 -0.950 0.000) 0.950 3.763 ( 0.000 4.193 0.000) 4.193 4.058 ( 0.000 4.037 0.000) 4.037 4.346 ( 0.000 4.703 0.000) 4.703 4.478 ( 0.000 0.118 0.000) 0.118 4.508 ( 0.000 1.621 0.000) 1.621 4.862 ( 0.000 -2.832 0.000) 2.832 4.905 ( 0.000 -2.306 0.000) 2.306 4.965 ( 0.000 -2.613 0.000) 2.613 5.420 ( 0.000 -3.460 0.000) 3.460 5.465 ( 0.000 -1.186 0.000) 1.186 5.701 ( 0.000 -3.536 0.000) 3.536 5.709 ( 0.000 -0.163 0.000) 0.163 5.934 ( 0.000 0.250 0.000) 0.250 6.012 ( 0.000 -0.509 0.000) 0.509 6.141 ( 0.000 -5.634 0.000) 5.634 6.684 ( 0.000 -2.700 0.000) 2.700 6.993 ( 0.000 -7.936 0.000) 7.936 8.137 ( 0.000 -3.226 0.000) 3.226 8.193 ( 0.000 14.957 0.000) 14.957 8.306 ( 0.000 2.256 0.000) 2.256 8.381 ( 0.000 5.467 0.000) 5.467 8.536 ( 0.000 -0.483 0.000) 0.483 8.547 ( 0.000 -3.739 0.000) 3.739 8.579 ( 0.000 1.896 0.000) 1.896 8.722 ( 0.000 3.927 0.000) 3.927 8.958 ( 0.000 20.354 0.000) 20.354 9.195 ( 0.000 17.303 0.000) 17.303 9.513 ( 0.000 -2.699 0.000) 2.699 9.558 ( 0.000 11.952 0.000) 11.952 9.716 ( 0.000 10.632 0.000) 10.632 10.055 ( 0.000 0.536 0.000) 0.536 10.325 ( 0.000 -4.610 0.000) 4.610 10.481 ( 0.000 0.308 0.000) 0.308 10.502 ( 0.000 1.969 0.000) 1.969 10.684 ( 0.000 7.780 0.000) 7.780 10.962 ( 0.000 -10.461 0.000) 10.461 11.145 ( 0.000 -4.915 0.000) 4.915 11.231 ( 0.000 -0.493 0.000) 0.493 11.337 ( 0.000 -0.167 0.000) 0.167 11.583 ( 0.000 9.577 0.000) 9.577 12.172 ( 0.000 -2.642 0.000) 2.642 12.284 ( 0.000 -6.532 0.000) 6.532 12.470 ( 0.000 2.016 0.000) 2.016 12.600 ( 0.000 -15.902 0.000) 15.902 12.697 ( 0.000 -9.006 0.000) 9.006 12.772 ( 0.000 -0.193 0.000) 0.193 13.050 ( 0.000 5.917 0.000) 5.917 13.056 ( 0.000 6.911 0.000) 6.911 13.249 ( 0.000 2.612 0.000) 2.612 13.984 ( 0.000 -6.135 0.000) 6.135 13.991 ( 0.000 2.664 0.000) 2.664 14.167 ( 0.000 -4.737 0.000) 4.737 14.347 ( 0.000 -8.178 0.000) 8.178 16.041 ( 0.000 3.834 0.000) 3.834 16.254 ( 0.000 -0.974 0.000) 0.974 16.482 ( 0.000 -4.485 0.000) 4.485 16.680 ( 0.000 -2.206 0.000) 2.206 17.613 ( 0.000 -6.594 0.000) 6.594 17.764 ( 0.000 -8.110 0.000) 8.110 17.966 ( 0.000 -8.486 0.000) 8.486 18.189 ( 0.000 -11.314 0.000) 11.314 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 20.883 17.984 0.000) 27.559 0.803 ( 16.925 21.598 0.000) 27.440 1.447 ( 25.774 43.555 0.000) 50.609 1.873 ( -7.802 3.127 0.000) 8.405 1.975 ( -4.719 20.362 0.000) 20.902 2.106 ( 13.975 3.492 0.000) 14.405 2.202 ( -7.084 14.995 0.000) 16.584 2.256 ( 0.479 4.549 0.000) 4.575 2.402 ( -3.257 15.084 0.000) 15.432 2.473 ( 1.369 12.469 0.000) 12.544 2.595 ( 1.496 9.239 0.000) 9.360 2.738 ( -0.140 1.334 0.000) 1.341 2.743 ( -2.092 12.253 0.000) 12.430 2.757 ( -0.492 12.903 0.000) 12.912 2.815 ( -2.284 10.726 0.000) 10.967 2.851 ( 3.398 7.302 0.000) 8.053 3.011 ( 3.613 10.901 0.000) 11.484 3.102 ( -1.430 14.060 0.000) 14.132 3.289 ( -0.103 17.970 0.000) 17.971 3.312 ( 3.850 0.161 0.000) 3.853 3.357 ( -0.678 2.665 0.000) 2.750 3.413 ( -2.142 17.653 0.000) 17.783 3.572 ( -14.267 5.259 0.000) 15.206 3.666 ( 2.469 -0.428 0.000) 2.506 4.158 ( 4.284 0.027 0.000) 4.284 4.345 ( -9.204 -0.958 0.000) 9.254 4.465 ( 9.197 3.224 0.000) 9.746 4.678 ( 8.394 -4.750 0.000) 9.645 4.758 ( -13.684 -2.081 0.000) 13.841 4.898 ( -5.438 -1.537 0.000) 5.651 5.012 ( 12.470 -6.743 0.000) 14.176 5.425 ( -4.175 -5.494 0.000) 6.900 5.446 ( -2.036 -1.864 0.000) 2.760 5.493 ( -9.083 -1.068 0.000) 9.146 5.831 ( 5.547 -3.371 0.000) 6.491 5.957 ( 1.847 -0.392 0.000) 1.888 6.019 ( 5.678 -1.109 0.000) 5.785 6.344 ( 13.259 -3.808 0.000) 13.795 6.557 ( -10.734 -4.537 0.000) 11.653 7.002 ( -1.360 -6.997 0.000) 7.128 8.169 ( -1.888 16.672 0.000) 16.778 8.195 ( 4.407 2.462 0.000) 5.048 8.333 ( 1.612 1.222 0.000) 2.023 8.348 ( -11.588 10.415 0.000) 15.581 8.379 ( 1.373 4.435 0.000) 4.643 8.537 ( -3.534 7.405 0.000) 8.205 8.567 ( 0.943 -0.397 0.000) 1.023 8.741 ( -0.766 3.079 0.000) 3.173 8.999 ( 5.911 17.734 0.000) 18.693 9.230 ( 3.648 14.609 0.000) 15.057 9.507 ( -3.902 10.771 0.000) 11.456 9.648 ( -5.586 9.124 0.000) 10.698 9.737 ( 19.405 -1.945 0.000) 19.502 10.083 ( 3.416 1.207 0.000) 3.623 10.342 ( 1.230 -3.823 0.000) 4.016 10.449 ( -0.949 -0.498 0.000) 1.071 10.533 ( 0.952 3.416 0.000) 3.546 10.575 ( -7.352 4.504 0.000) 8.622 11.048 ( 4.309 -8.084 0.000) 9.161 11.158 ( -4.288 -2.425 0.000) 4.926 11.194 ( 4.513 -1.901 0.000) 4.896 11.461 ( 10.585 -1.152 0.000) 10.648 11.546 ( -1.228 7.504 0.000) 7.604 11.992 ( -24.806 3.036 0.000) 24.991 12.135 ( -3.866 -2.528 0.000) 4.619 12.440 ( -5.527 0.994 0.000) 5.616 12.597 ( -1.365 -14.718 0.000) 14.782 12.689 ( -1.601 -6.749 0.000) 6.936 12.740 ( -1.423 -5.005 0.000) 5.204 12.911 ( -12.711 5.037 0.000) 13.673 13.081 ( -0.000 9.239 0.000) 9.239 13.092 ( 2.800 9.377 0.000) 9.786 13.937 ( -2.537 -2.331 0.000) 3.445 13.953 ( -2.867 0.470 0.000) 2.906 14.210 ( 3.438 -3.491 0.000) 4.900 14.355 ( -0.026 -6.482 0.000) 6.482 16.064 ( 3.707 4.313 0.000) 5.687 16.264 ( 0.558 -0.710 0.000) 0.903 16.505 ( 2.134 -4.127 0.000) 4.646 16.642 ( -2.117 -0.167 0.000) 2.123 17.659 ( 2.488 -8.861 0.000) 9.203 17.758 ( -0.603 -8.116 0.000) 8.139 17.977 ( 0.976 -8.498 0.000) 8.554 18.141 ( -4.217 -10.749 0.000) 11.547 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 20.229 12.636 0.000) 23.851 1.251 ( 23.878 13.570 0.000) 27.465 1.586 ( -17.505 7.038 0.000) 18.867 1.703 ( -19.618 15.023 0.000) 24.709 2.048 ( 30.076 23.930 0.000) 38.435 2.193 ( 3.968 19.148 0.000) 19.555 2.296 ( -4.084 17.899 0.000) 18.359 2.304 ( 3.604 6.483 0.000) 7.417 2.361 ( 3.001 6.421 0.000) 7.087 2.563 ( 5.843 11.656 0.000) 13.038 2.574 ( -15.045 5.119 0.000) 15.892 2.646 ( 8.836 4.036 0.000) 9.714 2.704 ( -9.426 8.877 0.000) 12.948 2.739 ( 1.802 12.496 0.000) 12.626 2.756 ( -1.647 13.986 0.000) 14.082 2.899 ( -3.641 6.916 0.000) 7.815 3.039 ( -4.690 17.278 0.000) 17.903 3.059 ( -2.735 14.601 0.000) 14.855 3.180 ( -0.965 4.956 0.000) 5.049 3.267 ( -5.598 4.634 0.000) 7.267 3.313 ( 1.918 15.162 0.000) 15.282 3.365 ( -2.741 16.067 0.000) 16.299 3.599 ( 13.090 1.561 0.000) 13.183 3.867 ( 3.633 -2.593 0.000) 4.464 3.993 ( -2.544 -0.293 0.000) 2.561 4.343 ( -20.225 -1.617 0.000) 20.290 4.413 ( 10.782 2.091 0.000) 10.983 4.625 ( -6.443 1.145 0.000) 6.544 4.830 ( 6.125 -3.609 0.000) 7.109 4.831 ( 3.839 -0.547 0.000) 3.878 5.147 ( -0.539 -3.094 0.000) 3.141 5.195 ( -9.340 -2.185 0.000) 9.592 5.424 ( 1.498 -6.626 0.000) 6.793 5.464 ( -1.072 -6.917 0.000) 7.000 5.938 ( 4.340 -2.953 0.000) 5.249 5.982 ( -0.030 -1.780 0.000) 1.781 6.167 ( 7.924 -1.690 0.000) 8.102 6.339 ( -9.743 -2.985 0.000) 10.190 6.620 ( 13.957 -3.685 0.000) 14.436 6.878 ( -10.618 -5.256 0.000) 11.847 8.138 ( -0.644 20.974 0.000) 20.984 8.167 ( -4.047 25.324 0.000) 25.645 8.302 ( 3.149 -4.305 0.000) 5.334 8.337 ( -0.672 -0.053 0.000) 0.674 8.472 ( 6.282 1.158 0.000) 6.388 8.505 ( 0.460 4.552 0.000) 4.575 8.562 ( -0.849 4.676 0.000) 4.753 8.651 ( -7.204 4.536 0.000) 8.513 9.164 ( 9.030 13.731 0.000) 16.434 9.296 ( -0.865 12.597 0.000) 12.626 9.430 ( -0.254 9.844 0.000) 9.848 9.523 ( -6.433 7.611 0.000) 9.966 10.182 ( 20.390 -3.434 0.000) 20.677 10.192 ( 6.708 1.111 0.000) 6.800 10.323 ( -4.346 -1.362 0.000) 4.555 10.425 ( -3.535 -1.433 0.000) 3.814 10.487 ( 0.082 3.964 0.000) 3.965 10.524 ( -1.759 3.772 0.000) 4.162 11.102 ( 1.238 -6.537 0.000) 6.654 11.106 ( -0.845 -5.820 0.000) 5.881 11.233 ( 2.047 2.856 0.000) 3.514 11.481 ( -21.782 4.148 0.000) 22.173 11.674 ( 12.304 2.031 0.000) 12.471 11.696 ( 9.957 -2.553 0.000) 10.279 12.024 ( -5.499 -1.673 0.000) 5.748 12.167 ( -17.888 3.352 0.000) 18.200 12.589 ( 1.143 -12.888 0.000) 12.938 12.632 ( -2.978 -8.587 0.000) 9.089 12.746 ( 1.240 -6.586 0.000) 6.702 12.781 ( -2.628 -3.648 0.000) 4.496 13.125 ( 2.317 9.864 0.000) 10.132 13.138 ( 1.140 11.199 0.000) 11.257 13.900 ( -1.019 -1.757 0.000) 2.031 13.904 ( -1.522 -1.453 0.000) 2.105 14.281 ( 3.316 -3.284 0.000) 4.667 14.335 ( -1.953 -4.335 0.000) 4.755 16.168 ( 5.510 1.907 0.000) 5.831 16.251 ( -2.308 0.192 0.000) 2.316 16.556 ( 2.595 -3.080 0.000) 4.027 16.603 ( -2.036 -1.466 0.000) 2.509 17.701 ( 1.945 -8.483 0.000) 8.703 17.737 ( -1.506 -8.208 0.000) 8.344 18.002 ( 1.618 -8.745 0.000) 8.893 18.054 ( -3.728 -9.578 0.000) 10.278 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.000 25.827 0.000) 25.827 1.177 ( 0.000 27.573 0.000) 27.573 2.002 ( 0.000 8.242 0.000) 8.242 2.103 ( 0.000 11.043 0.000) 11.043 2.262 ( 0.000 52.540 0.000) 52.540 2.312 ( 0.000 3.814 0.000) 3.814 2.467 ( 0.000 18.744 0.000) 18.744 2.571 ( 0.000 5.625 0.000) 5.625 2.684 ( 0.000 17.761 0.000) 17.761 2.731 ( 0.000 1.219 0.000) 1.219 2.845 ( 0.000 16.696 0.000) 16.696 2.870 ( 0.000 11.734 0.000) 11.734 2.964 ( 0.000 26.252 0.000) 26.252 3.052 ( 0.000 13.694 0.000) 13.694 3.116 ( 0.000 21.726 0.000) 21.726 3.219 ( 0.000 -0.186 0.000) 0.186 3.254 ( 0.000 16.204 0.000) 16.204 3.349 ( 0.000 26.701 0.000) 26.701 3.429 ( 0.000 11.096 0.000) 11.096 3.455 ( 0.000 17.250 0.000) 17.250 3.649 ( 0.000 16.431 0.000) 16.431 3.685 ( 0.000 1.503 0.000) 1.503 3.908 ( 0.000 28.548 0.000) 28.548 3.986 ( 0.000 20.390 0.000) 20.390 4.188 ( 0.000 8.901 0.000) 8.901 4.484 ( 0.000 9.102 0.000) 9.102 4.494 ( 0.000 2.251 0.000) 2.251 4.569 ( 0.000 5.020 0.000) 5.020 4.781 ( 0.000 -5.201 0.000) 5.201 4.850 ( 0.000 -2.887 0.000) 2.887 4.892 ( 0.000 -4.623 0.000) 4.623 5.344 ( 0.000 -3.559 0.000) 3.559 5.428 ( 0.000 -2.471 0.000) 2.471 5.610 ( 0.000 -5.462 0.000) 5.462 5.695 ( 0.000 -1.608 0.000) 1.608 5.938 ( 0.000 -0.045 0.000) 0.045 6.008 ( 0.000 0.249 0.000) 0.249 6.025 ( 0.000 -4.658 0.000) 4.658 6.631 ( 0.000 -2.287 0.000) 2.287 6.798 ( 0.000 -10.994 0.000) 10.994 8.063 ( 0.000 -3.826 0.000) 3.826 8.242 ( 0.000 -5.815 0.000) 5.815 8.341 ( 0.000 -0.208 0.000) 0.208 8.493 ( 0.000 -0.188 0.000) 0.188 8.508 ( 0.000 -6.321 0.000) 6.321 8.560 ( 0.000 2.410 0.000) 2.410 8.733 ( 0.000 22.124 0.000) 22.124 8.916 ( 0.000 11.871 0.000) 11.871 9.418 ( 0.000 23.912 0.000) 23.912 9.505 ( 0.000 2.938 0.000) 2.938 9.591 ( 0.000 18.704 0.000) 18.704 9.857 ( 0.000 18.529 0.000) 18.529 9.910 ( 0.000 5.863 0.000) 5.863 10.084 ( 0.000 2.755 0.000) 2.755 10.272 ( 0.000 -0.627 0.000) 0.627 10.517 ( 0.000 3.894 0.000) 3.894 10.528 ( 0.000 -0.078 0.000) 0.078 10.769 ( 0.000 -8.415 0.000) 8.415 10.888 ( 0.000 13.346 0.000) 13.346 11.006 ( 0.000 -6.334 0.000) 6.334 11.230 ( 0.000 1.471 0.000) 1.471 11.343 ( 0.000 0.945 0.000) 0.945 11.779 ( 0.000 8.898 0.000) 8.898 12.126 ( 0.000 -1.409 0.000) 1.409 12.138 ( 0.000 -7.943 0.000) 7.943 12.337 ( 0.000 -7.327 0.000) 7.327 12.494 ( 0.000 0.371 0.000) 0.371 12.511 ( 0.000 -9.242 0.000) 9.242 12.759 ( 0.000 -1.329 0.000) 1.329 13.172 ( 0.000 3.769 0.000) 3.769 13.196 ( 0.000 8.160 0.000) 8.160 13.290 ( 0.000 1.398 0.000) 1.398 13.787 ( 0.000 -13.635 0.000) 13.635 14.010 ( 0.000 -1.709 0.000) 1.709 14.034 ( 0.000 -8.197 0.000) 8.197 14.129 ( 0.000 -13.040 0.000) 13.040 16.097 ( 0.000 0.959 0.000) 0.959 16.229 ( 0.000 -1.322 0.000) 1.322 16.369 ( 0.000 -6.483 0.000) 6.483 16.617 ( 0.000 -4.110 0.000) 4.110 17.428 ( 0.000 -11.692 0.000) 11.692 17.538 ( 0.000 -14.316 0.000) 14.316 17.729 ( 0.000 -15.072 0.000) 15.072 17.885 ( 0.000 -18.537 0.000) 18.537 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 11.642 22.093 0.000) 24.973 1.274 ( 9.095 24.527 0.000) 26.159 1.986 ( -4.973 9.251 0.000) 10.503 2.209 ( 10.532 8.877 0.000) 13.774 2.313 ( -2.514 7.949 0.000) 8.337 2.414 ( 14.109 46.769 0.000) 48.851 2.417 ( -10.395 11.733 0.000) 15.676 2.545 ( 1.497 15.907 0.000) 15.978 2.570 ( 1.679 5.764 0.000) 6.004 2.803 ( 3.186 8.944 0.000) 9.494 2.826 ( -1.987 15.917 0.000) 16.041 2.908 ( -1.409 8.303 0.000) 8.422 2.919 ( -4.271 24.768 0.000) 25.134 3.083 ( 3.471 13.498 0.000) 13.938 3.091 ( -1.549 18.942 0.000) 19.005 3.218 ( -3.627 21.622 0.000) 21.924 3.308 ( 0.063 14.760 0.000) 14.760 3.336 ( 8.207 3.940 0.000) 9.104 3.447 ( -0.335 18.295 0.000) 18.298 3.508 ( 4.522 16.723 0.000) 17.323 3.612 ( -4.080 16.216 0.000) 16.722 3.684 ( 2.181 3.865 0.000) 4.438 3.879 ( -3.157 27.307 0.000) 27.488 3.882 ( -7.672 25.546 0.000) 26.673 4.181 ( -4.909 2.142 0.000) 5.356 4.387 ( -1.544 6.262 0.000) 6.450 4.559 ( 3.169 5.640 0.000) 6.469 4.672 ( 6.216 3.638 0.000) 7.202 4.713 ( -9.361 -1.420 0.000) 9.468 4.858 ( -3.503 -2.290 0.000) 4.185 4.907 ( 10.070 -4.862 0.000) 11.182 5.301 ( -5.460 -5.957 0.000) 8.081 5.395 ( -3.546 -3.175 0.000) 4.759 5.471 ( -10.219 -1.059 0.000) 10.274 5.738 ( 5.120 -5.883 0.000) 7.799 5.943 ( 0.275 -1.089 0.000) 1.123 6.013 ( 5.690 0.902 0.000) 5.761 6.258 ( 13.628 -4.497 0.000) 14.351 6.489 ( -9.968 -2.648 0.000) 10.313 6.841 ( 0.353 -8.949 0.000) 8.956 8.128 ( 4.297 -4.648 0.000) 6.330 8.201 ( -2.306 -6.428 0.000) 6.829 8.378 ( 2.973 1.018 0.000) 3.143 8.381 ( -4.139 -3.442 0.000) 5.383 8.571 ( 5.532 0.432 0.000) 5.549 8.675 ( 4.264 4.042 0.000) 5.876 8.725 ( -0.606 21.979 0.000) 21.987 8.898 ( -2.445 11.119 0.000) 11.385 9.432 ( 1.731 22.543 0.000) 22.609 9.578 ( 2.191 16.855 0.000) 16.997 9.659 ( 8.128 4.566 0.000) 9.322 9.826 ( -5.384 6.262 0.000) 8.258 9.865 ( 3.670 16.141 0.000) 16.553 10.147 ( 4.018 5.824 0.000) 7.075 10.294 ( 1.632 -0.853 0.000) 1.841 10.459 ( -1.953 1.092 0.000) 2.238 10.592 ( 2.171 2.475 0.000) 3.292 10.625 ( -7.126 -0.469 0.000) 7.142 10.952 ( 1.844 -0.590 0.000) 1.936 11.147 ( -6.099 1.235 0.000) 6.223 11.162 ( 12.437 1.797 0.000) 12.566 11.428 ( 7.569 -1.632 0.000) 7.743 11.698 ( -6.124 6.670 0.000) 9.054 11.958 ( -17.496 -4.732 0.000) 18.125 12.084 ( -4.270 -2.121 0.000) 4.768 12.353 ( 1.280 -5.955 0.000) 6.091 12.461 ( -4.240 0.385 0.000) 4.258 12.540 ( 2.686 -7.806 0.000) 8.255 12.672 ( -6.822 -1.525 0.000) 6.990 12.990 ( -17.316 3.129 0.000) 17.597 13.253 ( 5.944 5.647 0.000) 8.199 13.262 ( 0.592 8.393 0.000) 8.414 13.792 ( 0.149 -11.684 0.000) 11.685 13.909 ( -5.723 -5.360 0.000) 7.841 14.108 ( 3.291 -6.852 0.000) 7.601 14.162 ( 1.999 -12.514 0.000) 12.673 16.127 ( 2.904 1.300 0.000) 3.182 16.246 ( 1.220 -0.980 0.000) 1.564 16.398 ( 2.789 -6.268 0.000) 6.860 16.598 ( -1.899 -3.961 0.000) 4.393 17.443 ( 1.309 -12.794 0.000) 12.861 17.533 ( -0.584 -14.263 0.000) 14.275 17.741 ( 0.974 -14.954 0.000) 14.986 17.851 ( -2.958 -17.769 0.000) 18.013 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 13.680 18.491 0.000) 23.001 1.531 ( 21.378 14.609 0.000) 25.893 1.790 ( -13.065 13.116 0.000) 18.513 1.981 ( -21.982 12.064 0.000) 25.075 2.443 ( 5.598 6.842 0.000) 8.840 2.449 ( 10.200 8.836 0.000) 13.495 2.569 ( 1.579 11.723 0.000) 11.829 2.613 ( 2.409 16.220 0.000) 16.398 2.748 ( 1.738 15.021 0.000) 15.121 2.779 ( -4.520 13.341 0.000) 14.086 2.815 ( -3.125 22.521 0.000) 22.736 2.835 ( -4.853 9.778 0.000) 10.916 2.860 ( 15.548 25.348 0.000) 29.736 3.080 ( 1.065 19.142 0.000) 19.172 3.100 ( -3.443 17.029 0.000) 17.373 3.175 ( -3.327 20.318 0.000) 20.589 3.338 ( 0.374 11.822 0.000) 11.828 3.379 ( -2.315 12.811 0.000) 13.019 3.472 ( 0.797 20.416 0.000) 20.432 3.480 ( -3.648 24.148 0.000) 24.422 3.594 ( 5.515 11.846 0.000) 13.067 3.762 ( -8.604 15.478 0.000) 17.709 3.829 ( 2.808 24.734 0.000) 24.893 3.859 ( 10.209 6.711 0.000) 12.217 4.015 ( -2.864 5.483 0.000) 6.186 4.306 ( -19.594 -1.785 0.000) 19.675 4.492 ( 8.919 6.437 0.000) 10.999 4.672 ( -6.654 3.817 0.000) 7.671 4.803 ( 6.212 2.034 0.000) 6.537 4.839 ( 3.731 2.262 0.000) 4.363 5.079 ( 4.697 -3.422 0.000) 5.811 5.137 ( -6.758 -3.548 0.000) 7.633 5.303 ( -3.438 -5.551 0.000) 6.529 5.333 ( -4.489 -5.212 0.000) 6.879 5.856 ( 5.456 -5.244 0.000) 7.567 5.932 ( -1.912 -3.356 0.000) 3.862 6.151 ( 7.186 0.313 0.000) 7.193 6.302 ( -8.201 -0.839 0.000) 8.244 6.531 ( 13.134 -5.219 0.000) 14.133 6.758 ( -8.466 -6.977 0.000) 10.970 8.163 ( 0.080 -6.098 0.000) 6.098 8.171 ( -0.852 -6.619 0.000) 6.673 8.398 ( 3.670 -1.976 0.000) 4.168 8.434 ( 1.220 -0.293 0.000) 1.254 8.657 ( 3.397 5.347 0.000) 6.335 8.713 ( -0.428 11.548 0.000) 11.556 8.731 ( 1.619 19.216 0.000) 19.284 8.803 ( -5.915 10.201 0.000) 11.792 9.511 ( 5.980 19.017 0.000) 19.935 9.607 ( -0.266 16.699 0.000) 16.701 9.679 ( -2.166 14.485 0.000) 14.646 9.726 ( -4.577 11.912 0.000) 12.761 10.146 ( 17.054 0.982 0.000) 17.082 10.220 ( 2.971 1.704 0.000) 3.425 10.303 ( -0.259 -0.530 0.000) 0.590 10.418 ( -4.399 1.062 0.000) 4.525 10.562 ( 0.868 3.738 0.000) 3.838 10.598 ( -1.351 3.864 0.000) 4.093 11.002 ( 3.389 -2.796 0.000) 4.393 11.054 ( -2.454 0.018 0.000) 2.454 11.324 ( 2.682 6.661 0.000) 7.181 11.528 ( -18.501 -0.046 0.000) 18.501 11.614 ( 7.360 -4.128 0.000) 8.439 11.676 ( 4.120 -2.386 0.000) 4.761 12.003 ( 0.210 0.397 0.000) 0.449 12.230 ( -16.582 2.343 0.000) 16.747 12.420 ( 4.137 -1.864 0.000) 4.538 12.531 ( -6.488 -1.099 0.000) 6.580 12.610 ( 3.879 -6.137 0.000) 7.261 12.716 ( -7.986 -2.437 0.000) 8.350 13.316 ( 3.434 9.153 0.000) 9.776 13.341 ( 1.773 8.753 0.000) 8.931 13.789 ( -0.114 -9.687 0.000) 9.687 13.814 ( -3.113 -8.133 0.000) 8.709 14.158 ( 1.828 -9.257 0.000) 9.436 14.180 ( -0.217 -11.261 0.000) 11.263 16.201 ( 3.799 0.822 0.000) 3.887 16.253 ( -1.049 -0.135 0.000) 1.058 16.469 ( 3.901 -5.530 0.000) 6.768 16.544 ( -3.370 -4.435 0.000) 5.570 17.476 ( 1.826 -13.864 0.000) 13.984 17.511 ( -1.551 -14.179 0.000) 14.263 17.761 ( 1.055 -15.105 0.000) 15.141 17.792 ( -2.349 -16.167 0.000) 16.337 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 0.000 22.344 0.000) 22.344 1.685 ( 0.000 23.628 0.000) 23.628 2.159 ( 0.000 8.603 0.000) 8.603 2.355 ( 0.000 13.870 0.000) 13.870 2.385 ( 0.000 3.300 0.000) 3.300 2.597 ( 0.000 0.714 0.000) 0.714 2.671 ( 0.000 4.810 0.000) 4.810 2.786 ( 0.000 4.729 0.000) 4.729 3.050 ( 0.000 7.061 0.000) 7.061 3.130 ( 0.000 9.163 0.000) 9.163 3.142 ( 0.000 18.631 0.000) 18.631 3.151 ( 0.000 13.418 0.000) 13.418 3.231 ( 0.000 4.689 0.000) 4.689 3.327 ( 0.000 36.146 0.000) 36.146 3.493 ( 0.000 24.109 0.000) 24.109 3.537 ( 0.000 17.357 0.000) 17.357 3.560 ( 0.000 21.954 0.000) 21.954 3.580 ( 0.000 -0.670 0.000) 0.670 3.807 ( 0.000 20.789 0.000) 20.789 3.886 ( 0.000 24.621 0.000) 24.621 3.934 ( 0.000 20.104 0.000) 20.104 4.028 ( 0.000 23.621 0.000) 23.621 4.333 ( 0.000 4.006 0.000) 4.006 4.482 ( 0.000 25.903 0.000) 25.903 4.515 ( 0.000 31.193 0.000) 31.193 4.630 ( 0.000 -5.635 0.000) 5.635 4.645 ( 0.000 14.421 0.000) 14.421 4.681 ( 0.000 9.126 0.000) 9.126 4.761 ( 0.000 10.387 0.000) 10.387 4.801 ( 0.000 -3.133 0.000) 3.133 4.825 ( 0.000 2.277 0.000) 2.277 5.295 ( 0.000 -2.002 0.000) 2.002 5.378 ( 0.000 -1.829 0.000) 1.829 5.515 ( 0.000 -2.020 0.000) 2.020 5.637 ( 0.000 -3.596 0.000) 3.596 5.927 ( 0.000 -1.146 0.000) 1.146 5.997 ( 0.000 1.833 0.000) 1.833 6.024 ( 0.000 1.437 0.000) 1.437 6.587 ( 0.000 -9.719 0.000) 9.719 6.603 ( 0.000 -0.513 0.000) 0.513 7.999 ( 0.000 -2.438 0.000) 2.438 8.087 ( 0.000 -8.259 0.000) 8.259 8.290 ( 0.000 -3.554 0.000) 3.554 8.380 ( 0.000 -6.057 0.000) 6.057 8.541 ( 0.000 3.495 0.000) 3.495 8.615 ( 0.000 2.922 0.000) 2.922 9.060 ( 0.000 10.017 0.000) 10.017 9.112 ( 0.000 7.134 0.000) 7.134 9.621 ( 0.000 7.425 0.000) 7.425 9.757 ( 0.000 3.556 0.000) 3.556 9.811 ( 0.000 5.329 0.000) 5.329 9.954 ( 0.000 4.923 0.000) 4.923 10.174 ( 0.000 6.310 0.000) 6.310 10.285 ( 0.000 18.892 0.000) 18.892 10.299 ( 0.000 3.078 0.000) 3.078 10.483 ( 0.000 -4.382 0.000) 4.382 10.606 ( 0.000 -4.906 0.000) 4.906 10.628 ( 0.000 7.268 0.000) 7.268 11.026 ( 0.000 8.307 0.000) 8.307 11.208 ( 0.000 18.311 0.000) 18.311 11.330 ( 0.000 8.290 0.000) 8.290 11.364 ( 0.000 0.422 0.000) 0.422 11.901 ( 0.000 3.071 0.000) 3.071 11.979 ( 0.000 -7.875 0.000) 7.875 12.129 ( 0.000 1.975 0.000) 1.975 12.362 ( 0.000 -5.028 0.000) 5.028 12.375 ( 0.000 10.793 0.000) 10.793 12.476 ( 0.000 -2.456 0.000) 2.456 12.716 ( 0.000 -2.862 0.000) 2.862 13.148 ( 0.000 -7.408 0.000) 7.408 13.295 ( 0.000 -2.322 0.000) 2.322 13.340 ( 0.000 5.252 0.000) 5.252 13.474 ( 0.000 -15.900 0.000) 15.900 13.876 ( 0.000 -6.995 0.000) 6.995 13.881 ( 0.000 -10.347 0.000) 10.347 13.900 ( 0.000 -9.674 0.000) 9.674 16.067 ( 0.000 -3.789 0.000) 3.789 16.210 ( 0.000 -0.368 0.000) 0.368 16.248 ( 0.000 -5.248 0.000) 5.248 16.522 ( 0.000 -5.347 0.000) 5.347 17.168 ( 0.000 -14.167 0.000) 14.167 17.220 ( 0.000 -17.292 0.000) 17.292 17.393 ( 0.000 -18.274 0.000) 18.274 17.495 ( 0.000 -20.019 0.000) 20.019 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 6.557 20.941 0.000) 21.944 1.738 ( 5.164 22.031 0.000) 22.628 2.176 ( -0.843 9.554 0.000) 9.591 2.409 ( 6.339 11.754 0.000) 13.354 2.423 ( 4.359 3.565 0.000) 5.631 2.556 ( -14.371 4.724 0.000) 15.127 2.654 ( 0.304 4.638 0.000) 4.648 2.704 ( 4.019 4.045 0.000) 5.702 3.038 ( -4.334 7.697 0.000) 8.834 3.064 ( -7.864 9.764 0.000) 12.537 3.155 ( 1.407 11.470 0.000) 11.556 3.203 ( 5.034 8.058 0.000) 9.502 3.249 ( 3.614 8.141 0.000) 8.907 3.400 ( 3.859 32.730 0.000) 32.957 3.444 ( -1.613 25.645 0.000) 25.696 3.586 ( 2.562 19.695 0.000) 19.861 3.591 ( 5.806 16.728 0.000) 17.707 3.656 ( 4.761 7.162 0.000) 8.600 3.678 ( -6.443 18.588 0.000) 19.673 3.943 ( 0.981 20.384 0.000) 20.407 3.964 ( -2.928 25.652 0.000) 25.819 4.022 ( 4.788 23.281 0.000) 23.768 4.200 ( -11.872 2.734 0.000) 12.182 4.419 ( -5.623 23.533 0.000) 24.196 4.461 ( -2.251 26.323 0.000) 26.419 4.595 ( 1.732 12.371 0.000) 12.492 4.611 ( -10.307 3.239 0.000) 10.804 4.802 ( 5.327 8.791 0.000) 10.279 4.802 ( 5.459 4.530 0.000) 7.093 4.826 ( -1.534 0.405 0.000) 1.587 4.865 ( 10.636 8.698 0.000) 13.740 5.230 ( -6.773 -0.098 0.000) 6.773 5.335 ( -4.333 -1.932 0.000) 4.745 5.470 ( -6.826 1.865 0.000) 7.077 5.610 ( 3.388 -6.347 0.000) 7.195 5.910 ( -1.772 -2.300 0.000) 2.903 6.059 ( 5.658 3.703 0.000) 6.762 6.177 ( 11.521 -3.460 0.000) 12.029 6.445 ( -7.661 -2.000 0.000) 7.918 6.673 ( 0.709 -7.173 0.000) 7.208 8.045 ( 2.996 -3.539 0.000) 4.637 8.062 ( -1.383 -6.641 0.000) 6.784 8.299 ( -3.488 -3.992 0.000) 5.301 8.354 ( 4.331 -3.106 0.000) 5.329 8.581 ( 3.753 0.769 0.000) 3.831 8.742 ( 8.745 3.087 0.000) 9.274 9.053 ( -0.624 10.862 0.000) 10.879 9.073 ( -4.749 5.532 0.000) 7.291 9.718 ( -1.175 2.538 0.000) 2.797 9.752 ( 11.538 6.152 0.000) 13.075 9.832 ( 2.194 6.856 0.000) 7.198 9.948 ( 0.915 9.087 0.000) 9.133 10.204 ( -3.537 12.796 0.000) 13.276 10.289 ( 6.106 8.044 0.000) 10.099 10.323 ( -1.543 2.554 0.000) 2.984 10.439 ( -1.954 -3.276 0.000) 3.815 10.608 ( 1.767 3.848 0.000) 4.235 10.673 ( 2.892 6.463 0.000) 7.081 11.007 ( -1.568 6.302 0.000) 6.494 11.199 ( -7.914 2.835 0.000) 8.406 11.340 ( 10.974 14.497 0.000) 18.182 11.416 ( 1.610 0.369 0.000) 1.651 11.779 ( -10.353 1.363 0.000) 10.442 11.854 ( -11.443 -4.696 0.000) 12.370 12.068 ( -4.759 0.814 0.000) 4.828 12.387 ( 0.186 7.502 0.000) 7.505 12.417 ( 4.552 -3.750 0.000) 5.897 12.478 ( 0.029 2.427 0.000) 2.427 12.673 ( -3.523 1.366 0.000) 3.778 13.039 ( -19.018 1.782 0.000) 19.101 13.248 ( 8.235 -7.807 0.000) 11.347 13.349 ( 2.639 -4.524 0.000) 5.237 13.552 ( 2.311 -7.736 0.000) 8.074 13.777 ( -6.876 -6.682 0.000) 9.588 13.901 ( 1.353 -12.221 0.000) 12.296 13.932 ( 0.667 -10.773 0.000) 10.794 16.106 ( 3.542 -3.212 0.000) 4.782 16.227 ( 1.316 -1.328 0.000) 1.870 16.280 ( 2.980 -4.676 0.000) 5.545 16.503 ( -2.006 -5.344 0.000) 5.708 17.164 ( -0.116 -15.062 0.000) 15.062 17.216 ( -0.454 -17.196 0.000) 17.202 17.410 ( 1.334 -17.805 0.000) 17.855 17.475 ( -1.642 -19.358 0.000) 19.427 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 14.021 15.164 0.000) 20.653 1.878 ( 8.041 17.820 0.000) 19.550 2.073 ( -7.643 14.687 0.000) 16.557 2.196 ( -18.634 10.206 0.000) 21.245 2.564 ( 8.912 5.238 0.000) 10.337 2.607 ( 11.065 6.760 0.000) 12.967 2.687 ( 0.176 5.817 0.000) 5.820 2.756 ( -2.080 4.258 0.000) 4.739 2.890 ( -6.287 3.859 0.000) 7.377 2.921 ( -6.025 4.020 0.000) 7.243 3.184 ( 2.197 14.585 0.000) 14.750 3.244 ( -2.241 14.756 0.000) 14.925 3.384 ( 2.264 16.018 0.000) 16.177 3.388 ( 8.848 9.781 0.000) 13.189 3.504 ( -5.435 13.703 0.000) 14.741 3.573 ( 1.901 26.323 0.000) 26.392 3.617 ( 1.503 16.992 0.000) 17.058 3.684 ( 1.550 21.612 0.000) 21.667 3.831 ( 4.766 9.162 0.000) 10.327 3.864 ( -4.768 21.710 0.000) 22.228 3.981 ( 4.678 13.258 0.000) 14.059 4.023 ( 1.579 17.430 0.000) 17.501 4.069 ( -2.319 27.110 0.000) 27.209 4.279 ( -12.904 2.119 0.000) 13.077 4.381 ( -4.182 26.622 0.000) 26.949 4.411 ( -2.999 25.935 0.000) 26.108 4.664 ( 4.702 9.262 0.000) 10.388 4.761 ( -4.443 4.484 0.000) 6.312 4.926 ( 6.668 8.447 0.000) 10.761 4.960 ( 8.390 8.481 0.000) 11.930 5.056 ( 5.935 4.679 0.000) 7.558 5.080 ( -6.854 0.848 0.000) 6.906 5.220 ( -4.765 -1.388 0.000) 4.963 5.300 ( -8.474 3.324 0.000) 9.102 5.734 ( 6.825 -6.916 0.000) 9.717 5.850 ( -4.372 -4.839 0.000) 6.522 6.182 ( 6.091 2.710 0.000) 6.666 6.304 ( -6.354 0.955 0.000) 6.425 6.418 ( 11.537 -6.008 0.000) 13.007 6.610 ( -6.863 -7.519 0.000) 10.180 8.049 ( 0.021 -5.057 0.000) 5.057 8.060 ( -0.867 -4.101 0.000) 4.192 8.323 ( 4.523 -4.168 0.000) 6.151 8.395 ( -1.162 -3.115 0.000) 3.325 8.691 ( 7.460 -0.424 0.000) 7.472 8.845 ( -3.764 3.654 0.000) 5.245 8.973 ( 0.500 5.587 0.000) 5.609 9.029 ( -2.149 10.358 0.000) 10.578 9.765 ( 5.169 5.175 0.000) 7.315 9.860 ( -1.891 7.405 0.000) 7.643 9.938 ( 4.802 9.868 0.000) 10.975 9.977 ( 0.954 11.907 0.000) 11.945 10.219 ( 0.905 3.998 0.000) 4.099 10.265 ( -5.082 2.617 0.000) 5.716 10.321 ( 8.643 3.480 0.000) 9.317 10.467 ( -0.220 4.149 0.000) 4.154 10.676 ( 3.634 9.116 0.000) 9.813 10.711 ( 0.401 8.081 0.000) 8.090 10.986 ( 0.480 0.716 0.000) 0.862 11.060 ( -5.976 -0.351 0.000) 5.986 11.421 ( -0.862 -8.151 0.000) 8.196 11.478 ( -3.777 6.089 0.000) 7.165 11.619 ( -0.310 -0.160 0.000) 0.349 11.645 ( -4.894 5.558 0.000) 7.406 12.048 ( 6.290 4.070 0.000) 7.492 12.286 ( -11.732 4.119 0.000) 12.434 12.504 ( 2.713 8.410 0.000) 8.837 12.514 ( 4.282 -2.072 0.000) 4.757 12.600 ( -2.730 6.371 0.000) 6.931 12.696 ( -12.028 0.620 0.000) 12.044 13.417 ( 7.472 -5.435 0.000) 9.240 13.448 ( 6.355 0.149 0.000) 6.357 13.544 ( -2.474 -11.634 0.000) 11.894 13.622 ( -8.105 -7.646 0.000) 11.142 13.919 ( 0.560 -13.566 0.000) 13.578 13.930 ( -0.528 -12.752 0.000) 12.763 16.187 ( 3.859 -2.325 0.000) 4.505 16.237 ( -0.862 -1.834 0.000) 2.026 16.357 ( 4.358 -4.952 0.000) 6.597 16.443 ( -3.846 -5.248 0.000) 6.506 17.172 ( 0.978 -16.363 0.000) 16.392 17.198 ( -1.313 -16.992 0.000) 17.043 17.432 ( 0.737 -17.405 0.000) 17.420 17.446 ( -0.975 -18.023 0.000) 18.050 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 0.000 17.425 0.000) 17.425 2.104 ( 0.000 18.669 0.000) 18.669 2.340 ( 0.000 9.569 0.000) 9.569 2.438 ( 0.000 2.167 0.000) 2.167 2.595 ( 0.000 -0.451 0.000) 0.451 2.631 ( 0.000 13.600 0.000) 13.600 2.764 ( 0.000 4.582 0.000) 4.582 2.920 ( 0.000 8.762 0.000) 8.762 3.089 ( 0.000 -0.515 0.000) 0.515 3.130 ( 0.000 -1.944 0.000) 1.944 3.285 ( 0.000 1.697 0.000) 1.697 3.381 ( 0.000 10.473 0.000) 10.473 3.421 ( 0.000 8.825 0.000) 8.825 3.536 ( 0.000 -2.541 0.000) 2.541 3.783 ( 0.000 9.534 0.000) 9.534 3.874 ( 0.000 13.190 0.000) 13.190 3.925 ( 0.000 12.924 0.000) 12.924 4.115 ( 0.000 8.705 0.000) 8.705 4.133 ( 0.000 28.875 0.000) 28.875 4.245 ( 0.000 10.554 0.000) 10.554 4.374 ( 0.000 14.552 0.000) 14.552 4.395 ( 0.000 4.696 0.000) 4.696 4.480 ( 0.000 14.809 0.000) 14.809 4.545 ( 0.000 11.288 0.000) 11.288 4.740 ( 0.000 9.982 0.000) 9.982 4.831 ( 0.000 9.460 0.000) 9.460 4.901 ( 0.000 7.648 0.000) 7.648 4.976 ( 0.000 9.833 0.000) 9.833 5.020 ( 0.000 12.405 0.000) 12.405 5.034 ( 0.000 21.082 0.000) 21.082 5.128 ( 0.000 28.930 0.000) 28.930 5.202 ( 0.000 -6.152 0.000) 6.152 5.440 ( 0.000 11.099 0.000) 11.099 5.618 ( 0.000 3.534 0.000) 3.534 5.643 ( 0.000 14.527 0.000) 14.527 5.910 ( 0.000 0.722 0.000) 0.722 6.063 ( 0.000 2.515 0.000) 2.515 6.079 ( 0.000 6.052 0.000) 6.052 6.436 ( 0.000 -5.282 0.000) 5.282 6.606 ( 0.000 0.627 0.000) 0.627 7.961 ( 0.000 -3.778 0.000) 3.778 7.969 ( 0.000 -0.623 0.000) 0.623 8.239 ( 0.000 -1.093 0.000) 1.093 8.283 ( 0.000 -3.679 0.000) 3.679 8.600 ( 0.000 2.418 0.000) 2.418 8.670 ( 0.000 2.675 0.000) 2.675 9.165 ( 0.000 2.010 0.000) 2.010 9.188 ( 0.000 0.753 0.000) 0.753 9.668 ( 0.000 -5.467 0.000) 5.467 9.744 ( 0.000 4.461 0.000) 4.461 9.905 ( 0.000 5.607 0.000) 5.607 10.047 ( 0.000 0.130 0.000) 0.130 10.274 ( 0.000 -1.595 0.000) 1.595 10.276 ( 0.000 -9.410 0.000) 9.410 10.369 ( 0.000 3.390 0.000) 3.390 10.421 ( 0.000 3.605 0.000) 3.605 10.829 ( 0.000 12.957 0.000) 12.957 10.847 ( 0.000 18.014 0.000) 18.014 11.233 ( 0.000 10.508 0.000) 10.508 11.316 ( 0.000 -6.218 0.000) 6.218 11.497 ( 0.000 7.208 0.000) 7.208 11.558 ( 0.000 15.113 0.000) 15.113 11.841 ( 0.000 -5.915 0.000) 5.915 11.918 ( 0.000 0.296 0.000) 0.296 12.216 ( 0.000 7.003 0.000) 7.003 12.309 ( 0.000 -1.828 0.000) 1.828 12.388 ( 0.000 -6.450 0.000) 6.450 12.661 ( 0.000 -2.258 0.000) 2.258 12.676 ( 0.000 14.703 0.000) 14.703 12.891 ( 0.000 -16.653 0.000) 16.653 13.044 ( 0.000 -15.751 0.000) 15.751 13.359 ( 0.000 0.270 0.000) 0.270 13.368 ( 0.000 -1.752 0.000) 1.752 13.634 ( 0.000 -16.789 0.000) 16.789 13.753 ( 0.000 -6.276 0.000) 6.276 13.779 ( 0.000 -0.310 0.000) 0.310 15.972 ( 0.000 -4.990 0.000) 4.990 16.170 ( 0.000 -2.642 0.000) 2.642 16.223 ( 0.000 1.861 0.000) 1.861 16.411 ( 0.000 -5.766 0.000) 5.766 16.879 ( 0.000 -16.677 0.000) 16.677 16.889 ( 0.000 -13.540 0.000) 13.540 17.034 ( 0.000 -17.357 0.000) 17.357 17.129 ( 0.000 -16.386 0.000) 16.386 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 4.412 17.085 0.000) 17.645 2.132 ( 2.638 17.581 0.000) 17.777 2.358 ( 1.104 8.966 0.000) 9.034 2.465 ( 2.630 1.344 0.000) 2.953 2.611 ( -2.862 0.793 0.000) 2.970 2.644 ( 0.824 10.644 0.000) 10.675 2.755 ( 1.534 6.040 0.000) 6.231 2.832 ( -0.904 9.195 0.000) 9.240 3.148 ( -4.308 4.490 0.000) 6.223 3.178 ( -2.677 1.137 0.000) 2.908 3.203 ( 1.165 -0.525 0.000) 1.278 3.265 ( -1.864 4.691 0.000) 5.047 3.462 ( 3.019 7.816 0.000) 8.379 3.597 ( 1.755 0.461 0.000) 1.815 3.796 ( 1.835 8.333 0.000) 8.532 3.906 ( -2.425 8.802 0.000) 9.130 3.923 ( -11.874 5.858 0.000) 13.241 3.957 ( 6.076 14.317 0.000) 15.553 4.136 ( 0.812 25.251 0.000) 25.264 4.248 ( -4.812 11.360 0.000) 12.337 4.383 ( 0.187 8.432 0.000) 8.435 4.426 ( 2.296 16.105 0.000) 16.268 4.506 ( 4.131 30.150 0.000) 30.432 4.584 ( -10.851 11.335 0.000) 15.692 4.595 ( 5.292 -1.660 0.000) 5.546 4.872 ( -0.149 6.744 0.000) 6.745 4.920 ( -0.745 5.601 0.000) 5.651 4.960 ( -0.066 15.342 0.000) 15.342 4.986 ( 0.621 17.107 0.000) 17.118 5.027 ( -2.027 16.398 0.000) 16.523 5.220 ( 6.587 22.474 0.000) 23.419 5.265 ( 4.100 -0.691 0.000) 4.158 5.415 ( -2.273 12.865 0.000) 13.064 5.546 ( -0.572 7.204 0.000) 7.227 5.639 ( -4.228 13.632 0.000) 14.273 5.874 ( -3.522 0.257 0.000) 3.532 6.128 ( 7.042 -1.395 0.000) 7.179 6.154 ( 5.402 5.752 0.000) 7.891 6.398 ( -3.185 -2.627 0.000) 4.128 6.585 ( -2.563 -1.736 0.000) 3.096 7.965 ( 0.470 -2.823 0.000) 2.862 7.994 ( 1.666 -1.554 0.000) 2.278 8.241 ( -1.948 -1.748 0.000) 2.617 8.294 ( 4.282 -2.037 0.000) 4.741 8.601 ( 0.756 1.463 0.000) 1.647 8.794 ( 10.107 2.141 0.000) 10.332 9.123 ( -6.945 0.445 0.000) 6.960 9.189 ( 1.327 3.651 0.000) 3.885 9.673 ( 2.382 -3.704 0.000) 4.403 9.834 ( 7.498 2.194 0.000) 7.812 9.936 ( 3.555 4.707 0.000) 5.898 10.059 ( 1.435 0.507 0.000) 1.522 10.246 ( -1.859 -7.147 0.000) 7.385 10.351 ( 2.802 -5.391 0.000) 6.076 10.362 ( -0.327 5.382 0.000) 5.392 10.461 ( 5.756 8.941 0.000) 10.634 10.854 ( 2.170 11.724 0.000) 11.923 10.858 ( 0.819 14.321 0.000) 14.345 11.161 ( -6.194 8.123 0.000) 10.215 11.197 ( -8.056 -4.114 0.000) 9.046 11.412 ( -9.978 -1.450 0.000) 10.083 11.634 ( 5.737 12.425 0.000) 13.685 11.780 ( -11.638 0.785 0.000) 11.664 11.814 ( -1.775 0.896 0.000) 1.988 12.115 ( -4.456 3.312 0.000) 5.552 12.409 ( 5.866 2.990 0.000) 6.585 12.410 ( 1.366 -3.840 0.000) 4.075 12.695 ( 0.719 12.837 0.000) 12.857 12.719 ( 3.586 3.091 0.000) 4.734 12.958 ( 6.839 -19.205 0.000) 20.387 12.999 ( -9.267 -9.055 0.000) 12.957 13.159 ( -4.247 -2.903 0.000) 5.145 13.462 ( 0.445 -6.174 0.000) 6.190 13.581 ( -4.876 -15.415 0.000) 16.168 13.750 ( -0.326 -6.295 0.000) 6.304 13.769 ( -0.869 -0.793 0.000) 1.176 16.022 ( 4.459 -4.481 0.000) 6.322 16.169 ( 0.337 -3.250 0.000) 3.267 16.256 ( 2.299 1.090 0.000) 2.544 16.395 ( -1.613 -5.496 0.000) 5.728 16.867 ( -1.476 -14.436 0.000) 14.511 16.877 ( -0.297 -16.576 0.000) 16.578 17.066 ( 2.327 -16.388 0.000) 16.553 17.120 ( -0.633 -15.915 0.000) 15.928 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 7.622 13.905 0.000) 15.857 2.195 ( 2.511 14.144 0.000) 14.366 2.338 ( -2.851 11.587 0.000) 11.933 2.380 ( -9.389 7.941 0.000) 12.297 2.634 ( 7.191 1.874 0.000) 7.431 2.696 ( 3.201 2.993 0.000) 4.382 2.836 ( 5.236 6.841 0.000) 8.615 2.886 ( 1.700 9.560 0.000) 9.710 2.984 ( -9.096 7.872 0.000) 12.029 2.987 ( -7.740 3.124 0.000) 8.347 3.309 ( 6.728 1.308 0.000) 6.854 3.363 ( 4.238 0.123 0.000) 4.240 3.541 ( 5.132 5.082 0.000) 7.223 3.576 ( -1.351 4.096 0.000) 4.313 3.688 ( -10.144 3.893 0.000) 10.865 3.704 ( -9.469 0.953 0.000) 9.516 3.990 ( 10.423 6.396 0.000) 12.229 4.081 ( 5.401 16.065 0.000) 16.949 4.169 ( -2.816 18.567 0.000) 18.780 4.208 ( 4.986 20.168 0.000) 20.775 4.220 ( -10.885 3.746 0.000) 11.512 4.360 ( -9.467 20.452 0.000) 22.537 4.586 ( 6.193 16.919 0.000) 18.017 4.595 ( 4.557 30.646 0.000) 30.982 4.713 ( 5.567 0.384 0.000) 5.580 4.819 ( -4.507 2.728 0.000) 5.268 4.859 ( -3.169 10.818 0.000) 11.272 4.882 ( -5.872 21.249 0.000) 22.046 5.036 ( 2.060 6.787 0.000) 7.093 5.040 ( 2.141 8.156 0.000) 8.432 5.318 ( 1.518 14.076 0.000) 14.158 5.338 ( 1.744 17.464 0.000) 17.551 5.382 ( 2.884 18.592 0.000) 18.814 5.513 ( -7.264 16.708 0.000) 18.219 5.629 ( 7.067 1.089 0.000) 7.150 5.772 ( -6.461 -0.445 0.000) 6.476 6.244 ( 4.510 2.289 0.000) 5.058 6.317 ( 9.530 -2.550 0.000) 9.865 6.326 ( -3.792 0.660 0.000) 3.849 6.489 ( -6.991 -3.768 0.000) 7.942 7.981 ( 1.029 -1.836 0.000) 2.105 8.002 ( -0.825 -1.812 0.000) 1.992 8.263 ( 3.773 -1.600 0.000) 4.098 8.333 ( -1.592 -2.520 0.000) 2.981 8.684 ( 8.231 0.713 0.000) 8.262 8.887 ( -9.124 1.479 0.000) 9.243 9.043 ( 7.174 2.017 0.000) 7.452 9.171 ( -3.766 4.478 0.000) 5.851 9.777 ( 6.914 -2.306 0.000) 7.289 9.897 ( -3.168 -1.853 0.000) 3.670 10.072 ( 9.020 3.722 0.000) 9.758 10.115 ( 3.924 2.288 0.000) 4.542 10.225 ( -2.192 -2.253 0.000) 3.143 10.290 ( -7.606 -0.727 0.000) 7.641 10.448 ( 11.543 7.620 0.000) 13.831 10.592 ( 2.712 7.507 0.000) 7.981 10.854 ( -1.419 3.802 0.000) 4.058 10.878 ( -1.890 6.441 0.000) 6.712 11.047 ( -3.606 7.824 0.000) 8.616 11.063 ( -6.784 3.217 0.000) 7.508 11.245 ( 2.465 -9.652 0.000) 9.962 11.466 ( -15.205 -3.153 0.000) 15.528 11.758 ( 2.430 9.685 0.000) 9.985 11.784 ( -1.150 7.462 0.000) 7.550 12.150 ( 9.034 5.276 0.000) 10.462 12.370 ( -7.848 3.072 0.000) 8.428 12.514 ( 4.614 1.972 0.000) 5.017 12.625 ( -7.429 0.291 0.000) 7.435 12.769 ( 1.613 9.586 0.000) 9.720 12.807 ( -3.765 11.940 0.000) 12.520 13.124 ( 7.834 -18.832 0.000) 20.397 13.187 ( 2.173 -15.356 0.000) 15.509 13.422 ( -2.327 -10.123 0.000) 10.387 13.464 ( -5.776 -13.173 0.000) 14.384 13.744 ( -0.075 -4.783 0.000) 4.784 13.751 ( -0.729 -2.519 0.000) 2.622 16.120 ( 4.436 -3.788 0.000) 5.833 16.174 ( -0.684 -3.933 0.000) 3.992 16.299 ( 2.182 -1.194 0.000) 2.487 16.350 ( -2.663 -4.135 0.000) 4.919 16.851 ( -0.004 -15.566 0.000) 15.566 16.863 ( -0.955 -16.262 0.000) 16.290 17.102 ( 1.071 -15.338 0.000) 15.375 17.112 ( -0.175 -15.182 0.000) 15.183 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 0.000 12.968 0.000) 12.968 2.405 ( 0.000 9.787 0.000) 9.787 2.495 ( 0.000 5.767 0.000) 5.767 2.529 ( 0.000 9.283 0.000) 9.283 2.586 ( 0.000 -0.438 0.000) 0.438 2.823 ( 0.000 3.531 0.000) 3.531 2.905 ( 0.000 11.658 0.000) 11.658 3.061 ( 0.000 -2.065 0.000) 2.065 3.080 ( 0.000 -3.123 0.000) 3.123 3.121 ( 0.000 11.273 0.000) 11.273 3.319 ( 0.000 2.063 0.000) 2.063 3.483 ( 0.000 -2.713 0.000) 2.713 3.521 ( 0.000 2.141 0.000) 2.141 3.583 ( 0.000 10.095 0.000) 10.095 3.874 ( 0.000 1.228 0.000) 1.228 4.001 ( 0.000 0.418 0.000) 0.418 4.033 ( 0.000 -0.467 0.000) 0.467 4.165 ( 0.000 -1.902 0.000) 1.902 4.238 ( 0.000 -7.980 0.000) 7.980 4.281 ( 0.000 -4.395 0.000) 4.395 4.538 ( 0.000 7.310 0.000) 7.310 4.587 ( 0.000 1.041 0.000) 1.041 4.643 ( 0.000 18.451 0.000) 18.451 4.952 ( 0.000 1.569 0.000) 1.569 4.954 ( 0.000 -8.737 0.000) 8.737 5.068 ( 0.000 10.538 0.000) 10.538 5.085 ( 0.000 13.562 0.000) 13.562 5.093 ( 0.000 18.644 0.000) 18.644 5.225 ( 0.000 21.366 0.000) 21.366 5.306 ( 0.000 14.024 0.000) 14.024 5.374 ( 0.000 13.701 0.000) 13.701 5.644 ( 0.000 22.889 0.000) 22.889 5.773 ( 0.000 18.900 0.000) 18.900 5.790 ( 0.000 11.835 0.000) 11.835 5.976 ( 0.000 15.383 0.000) 15.383 6.013 ( 0.000 9.770 0.000) 9.770 6.138 ( 0.000 6.624 0.000) 6.624 6.234 ( 0.000 9.698 0.000) 9.698 6.375 ( 0.000 -1.102 0.000) 1.102 6.614 ( 0.000 -0.152 0.000) 0.152 7.949 ( 0.000 2.426 0.000) 2.426 7.977 ( 0.000 1.571 0.000) 1.571 8.234 ( 0.000 -1.432 0.000) 1.432 8.256 ( 0.000 2.691 0.000) 2.691 8.644 ( 0.000 2.387 0.000) 2.387 8.732 ( 0.000 3.843 0.000) 3.843 9.162 ( 0.000 -2.862 0.000) 2.862 9.171 ( 0.000 -1.087 0.000) 1.087 9.631 ( 0.000 2.082 0.000) 2.082 9.805 ( 0.000 2.081 0.000) 2.081 9.972 ( 0.000 -6.296 0.000) 6.296 10.034 ( 0.000 4.958 0.000) 4.958 10.122 ( 0.000 -3.149 0.000) 3.149 10.134 ( 0.000 -9.084 0.000) 9.084 10.426 ( 0.000 2.825 0.000) 2.825 10.605 ( 0.000 11.695 0.000) 11.695 11.088 ( 0.000 5.184 0.000) 5.184 11.106 ( 0.000 14.381 0.000) 14.381 11.107 ( 0.000 -14.605 0.000) 14.605 11.415 ( 0.000 8.515 0.000) 8.515 11.583 ( 0.000 1.113 0.000) 1.113 11.701 ( 0.000 -1.637 0.000) 1.637 11.739 ( 0.000 -4.648 0.000) 4.648 11.996 ( 0.000 6.322 0.000) 6.322 12.183 ( 0.000 -11.853 0.000) 11.853 12.239 ( 0.000 -8.083 0.000) 8.083 12.394 ( 0.000 10.007 0.000) 10.007 12.536 ( 0.000 -19.808 0.000) 19.808 12.633 ( 0.000 -6.015 0.000) 6.015 12.649 ( 0.000 1.654 0.000) 1.654 13.133 ( 0.000 14.934 0.000) 14.934 13.260 ( 0.000 -20.303 0.000) 20.303 13.341 ( 0.000 0.034 0.000) 0.034 13.386 ( 0.000 2.354 0.000) 2.354 13.604 ( 0.000 -8.954 0.000) 8.954 13.792 ( 0.000 0.021 0.000) 0.021 15.898 ( 0.000 -1.989 0.000) 1.989 16.136 ( 0.000 -1.063 0.000) 1.063 16.283 ( 0.000 3.994 0.000) 3.994 16.298 ( 0.000 -5.645 0.000) 5.645 16.581 ( 0.000 -13.043 0.000) 13.043 16.651 ( 0.000 -10.212 0.000) 10.212 16.731 ( 0.000 -12.917 0.000) 12.917 16.864 ( 0.000 -10.297 0.000) 10.297 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 3.692 12.700 0.000) 13.225 2.423 ( 1.634 10.667 0.000) 10.792 2.500 ( 0.745 3.633 0.000) 3.708 2.531 ( 0.232 8.463 0.000) 8.466 2.611 ( 1.008 -0.378 0.000) 1.077 2.780 ( -2.882 3.741 0.000) 4.722 2.909 ( 0.485 8.213 0.000) 8.227 3.014 ( 0.728 6.731 0.000) 6.771 3.149 ( 5.321 -2.640 0.000) 5.939 3.208 ( -0.860 2.892 0.000) 3.018 3.234 ( -1.626 4.477 0.000) 4.763 3.408 ( -6.793 8.634 0.000) 10.986 3.549 ( 1.936 1.825 0.000) 2.661 3.578 ( 0.706 -1.596 0.000) 1.745 3.871 ( -5.326 0.160 0.000) 5.329 3.935 ( -11.228 -3.013 0.000) 11.625 3.966 ( -0.242 0.188 0.000) 0.306 4.093 ( 3.082 0.239 0.000) 3.091 4.334 ( 7.650 -1.636 0.000) 7.823 4.384 ( 1.943 -3.474 0.000) 3.980 4.514 ( -2.509 8.041 0.000) 8.423 4.566 ( 1.296 0.796 0.000) 1.521 4.679 ( 3.483 14.903 0.000) 15.305 4.935 ( -1.697 1.257 0.000) 2.112 4.938 ( -7.666 17.758 0.000) 19.342 5.026 ( 2.380 -3.022 0.000) 3.847 5.094 ( -2.694 8.815 0.000) 9.217 5.096 ( 2.352 9.996 0.000) 10.269 5.232 ( 0.729 20.352 0.000) 20.365 5.332 ( 2.698 12.845 0.000) 13.126 5.375 ( 0.248 15.420 0.000) 15.422 5.655 ( 0.083 19.830 0.000) 19.830 5.767 ( 0.085 19.434 0.000) 19.434 5.822 ( 2.946 16.317 0.000) 16.581 5.988 ( -0.765 18.064 0.000) 18.080 5.999 ( -1.316 12.315 0.000) 12.385 6.134 ( 2.076 3.087 0.000) 3.720 6.285 ( 3.875 7.487 0.000) 8.430 6.362 ( -1.329 -0.689 0.000) 1.497 6.576 ( -3.683 0.031 0.000) 3.683 7.956 ( 0.717 1.932 0.000) 2.060 7.988 ( 0.710 1.088 0.000) 1.299 8.228 ( 0.123 0.223 0.000) 0.255 8.290 ( 2.515 1.453 0.000) 2.905 8.651 ( 1.530 3.901 0.000) 4.190 8.832 ( 8.941 2.031 0.000) 9.169 9.123 ( -4.805 -0.127 0.000) 4.807 9.215 ( 2.973 -0.620 0.000) 3.037 9.632 ( 1.824 0.406 0.000) 1.869 9.858 ( 3.578 0.263 0.000) 3.588 10.000 ( 3.122 -5.228 0.000) 6.089 10.026 ( -0.124 4.057 0.000) 4.059 10.118 ( 0.913 -4.521 0.000) 4.612 10.208 ( 4.937 -8.837 0.000) 10.123 10.458 ( 3.211 4.874 0.000) 5.837 10.654 ( 4.107 10.238 0.000) 11.030 10.995 ( -6.612 -10.438 0.000) 12.356 11.002 ( -8.444 -0.366 0.000) 8.452 11.136 ( 1.276 10.794 0.000) 10.869 11.335 ( -5.000 9.547 0.000) 10.777 11.381 ( -15.035 -0.871 0.000) 15.061 11.720 ( -5.311 0.526 0.000) 5.337 11.846 ( 5.078 0.904 0.000) 5.158 11.893 ( -3.585 4.435 0.000) 5.702 12.128 ( -2.110 -4.091 0.000) 4.603 12.270 ( 3.663 -10.101 0.000) 10.745 12.526 ( 6.335 8.119 0.000) 10.298 12.553 ( 0.208 -18.514 0.000) 18.515 12.607 ( 4.935 -11.336 0.000) 12.364 12.793 ( 8.411 3.569 0.000) 9.136 13.106 ( -3.122 12.894 0.000) 13.267 13.201 ( -9.499 4.724 0.000) 10.609 13.225 ( -3.118 -19.112 0.000) 19.364 13.363 ( -4.345 -2.432 0.000) 4.979 13.619 ( 1.457 -7.751 0.000) 7.887 13.772 ( -1.980 -0.572 0.000) 2.061 15.955 ( 5.013 -1.876 0.000) 5.352 16.122 ( -0.845 -1.557 0.000) 1.771 16.285 ( -1.022 -5.598 0.000) 5.691 16.296 ( 0.481 2.569 0.000) 2.614 16.584 ( 0.216 -12.485 0.000) 12.487 16.618 ( -2.081 -10.274 0.000) 10.483 16.782 ( 3.592 -12.024 0.000) 12.549 16.863 ( -0.071 -10.058 0.000) 10.058 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 3.960 11.172 0.000) 11.853 2.437 ( -1.826 10.230 0.000) 10.391 2.503 ( 0.368 4.918 0.000) 4.932 2.528 ( -1.007 7.869 0.000) 7.933 2.655 ( 4.576 0.704 0.000) 4.630 2.737 ( -2.204 1.225 0.000) 2.521 2.928 ( 2.177 3.573 0.000) 4.184 3.025 ( -5.756 2.305 0.000) 6.200 3.138 ( 3.928 13.148 0.000) 13.722 3.206 ( -1.620 10.653 0.000) 10.776 3.305 ( 3.528 -1.069 0.000) 3.686 3.332 ( 0.914 -0.014 0.000) 0.915 3.592 ( 2.564 0.552 0.000) 2.622 3.596 ( 1.294 -2.259 0.000) 2.603 3.694 ( -8.361 0.172 0.000) 8.363 3.704 ( -9.752 -0.516 0.000) 9.765 4.042 ( 5.388 -0.100 0.000) 5.389 4.130 ( -1.729 -4.264 0.000) 4.601 4.378 ( 1.074 6.932 0.000) 7.015 4.442 ( -3.949 7.667 0.000) 8.624 4.505 ( 8.437 4.076 0.000) 9.370 4.624 ( -0.191 -3.550 0.000) 3.555 4.764 ( 3.881 9.101 0.000) 9.894 4.798 ( -3.621 16.290 0.000) 16.687 4.888 ( -2.022 5.195 0.000) 5.575 4.940 ( -6.114 10.716 0.000) 12.338 5.139 ( 2.553 -3.505 0.000) 4.337 5.143 ( 1.799 4.877 0.000) 5.198 5.254 ( 1.483 19.674 0.000) 19.729 5.300 ( -3.067 19.046 0.000) 19.291 5.476 ( 6.889 11.301 0.000) 13.235 5.603 ( -5.129 12.412 0.000) 13.430 5.809 ( 3.703 21.983 0.000) 22.293 5.871 ( -0.152 20.124 0.000) 20.125 5.942 ( -1.228 20.364 0.000) 20.401 5.966 ( -1.858 17.312 0.000) 17.411 6.228 ( 5.621 -0.755 0.000) 5.671 6.319 ( -3.163 -0.548 0.000) 3.210 6.371 ( 4.711 4.962 0.000) 6.842 6.477 ( -5.660 1.636 0.000) 5.892 7.974 ( 0.960 1.177 0.000) 1.519 7.991 ( -0.497 0.779 0.000) 0.925 8.259 ( 2.769 0.850 0.000) 2.897 8.309 ( -1.231 -0.024 0.000) 1.231 8.746 ( 8.154 5.812 0.000) 10.014 8.938 ( -8.311 4.062 0.000) 9.250 9.064 ( 8.535 0.642 0.000) 8.559 9.216 ( -4.146 0.473 0.000) 4.173 9.727 ( 6.644 -1.826 0.000) 6.890 9.852 ( -4.564 -1.859 0.000) 4.928 10.081 ( 6.390 -2.616 0.000) 6.904 10.098 ( 5.890 -3.499 0.000) 6.850 10.169 ( 0.934 -3.200 0.000) 3.334 10.223 ( -4.705 -6.173 0.000) 7.762 10.587 ( 10.625 6.031 0.000) 12.218 10.690 ( -0.334 0.168 0.000) 0.374 10.817 ( -6.741 -4.835 0.000) 8.295 10.965 ( -16.141 4.531 0.000) 16.765 11.044 ( 10.072 -6.982 0.000) 12.255 11.237 ( 3.170 11.145 0.000) 11.587 11.250 ( -4.784 9.831 0.000) 10.934 11.430 ( -17.082 0.693 0.000) 17.096 11.902 ( 1.143 3.794 0.000) 3.962 11.911 ( 0.528 4.668 0.000) 4.697 12.182 ( 7.797 -4.447 0.000) 8.976 12.329 ( -2.000 -9.086 0.000) 9.304 12.519 ( -1.092 -10.683 0.000) 10.739 12.547 ( -1.364 -1.379 0.000) 1.940 12.817 ( 10.840 -7.105 0.000) 12.961 12.953 ( 7.198 7.636 0.000) 10.494 12.986 ( -6.929 -0.419 0.000) 6.942 13.071 ( -4.675 9.967 0.000) 11.009 13.169 ( -1.064 -13.786 0.000) 13.827 13.234 ( -6.919 -6.174 0.000) 9.273 13.660 ( 2.574 -5.070 0.000) 5.686 13.719 ( -3.052 -2.369 0.000) 3.863 16.060 ( 4.378 -2.015 0.000) 4.819 16.109 ( -0.849 -2.398 0.000) 2.544 16.270 ( -0.115 -4.216 0.000) 4.217 16.286 ( -1.239 -0.761 0.000) 1.454 16.585 ( -0.124 -11.021 0.000) 11.022 16.588 ( -0.735 -10.206 0.000) 10.233 16.842 ( 2.001 -10.869 0.000) 11.052 16.862 ( -0.201 -10.054 0.000) 10.056 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 0.000 10.727 0.000) 10.727 2.485 ( 0.000 2.063 0.000) 2.063 2.575 ( 0.000 -0.734 0.000) 0.734 2.679 ( 0.000 9.390 0.000) 9.390 2.695 ( 0.000 7.180 0.000) 7.180 2.860 ( 0.000 0.711 0.000) 0.711 2.999 ( 0.000 -5.355 0.000) 5.355 3.011 ( 0.000 -3.019 0.000) 3.019 3.126 ( 0.000 10.184 0.000) 10.184 3.353 ( 0.000 11.911 0.000) 11.911 3.371 ( 0.000 3.122 0.000) 3.122 3.433 ( 0.000 -2.321 0.000) 2.321 3.530 ( 0.000 -0.845 0.000) 0.845 3.767 ( 0.000 8.006 0.000) 8.006 3.868 ( 0.000 -1.181 0.000) 1.181 3.937 ( 0.000 -6.004 0.000) 6.004 3.976 ( 0.000 -4.169 0.000) 4.169 4.084 ( 0.000 -6.852 0.000) 6.852 4.098 ( 0.000 -3.827 0.000) 3.827 4.165 ( 0.000 -6.148 0.000) 6.148 4.575 ( 0.000 -1.243 0.000) 1.243 4.618 ( 0.000 1.974 0.000) 1.974 4.771 ( 0.000 -8.698 0.000) 8.698 4.924 ( 0.000 6.251 0.000) 6.251 5.024 ( 0.000 -2.319 0.000) 2.319 5.039 ( 0.000 6.255 0.000) 6.255 5.333 ( 0.000 10.518 0.000) 10.518 5.389 ( 0.000 10.936 0.000) 10.936 5.557 ( 0.000 9.844 0.000) 9.844 5.585 ( 0.000 7.408 0.000) 7.408 5.743 ( 0.000 22.980 0.000) 22.980 6.009 ( 0.000 9.724 0.000) 9.724 6.015 ( 0.000 14.128 0.000) 14.128 6.099 ( 0.000 13.165 0.000) 13.165 6.143 ( 0.000 4.505 0.000) 4.505 6.224 ( 0.000 9.359 0.000) 9.359 6.375 ( 0.000 13.202 0.000) 13.202 6.384 ( 0.000 2.034 0.000) 2.034 6.440 ( 0.000 9.986 0.000) 9.986 6.591 ( 0.000 -2.204 0.000) 2.204 8.036 ( 0.000 4.276 0.000) 4.276 8.044 ( 0.000 6.767 0.000) 6.767 8.215 ( 0.000 -0.761 0.000) 0.761 8.317 ( 0.000 2.310 0.000) 2.310 8.711 ( 0.000 4.826 0.000) 4.826 8.821 ( 0.000 4.892 0.000) 4.892 9.091 ( 0.000 -4.034 0.000) 4.034 9.121 ( 0.000 -4.183 0.000) 4.183 9.737 ( 0.000 6.975 0.000) 6.975 9.839 ( 0.000 1.646 0.000) 1.646 9.858 ( 0.000 -2.818 0.000) 2.818 9.957 ( 0.000 -8.304 0.000) 8.304 9.985 ( 0.000 -3.827 0.000) 3.827 10.272 ( 0.000 12.382 0.000) 12.382 10.508 ( 0.000 6.048 0.000) 6.048 10.754 ( 0.000 -17.216 0.000) 17.216 10.860 ( 0.000 10.800 0.000) 10.800 11.064 ( 0.000 -6.296 0.000) 6.296 11.378 ( 0.000 12.699 0.000) 12.699 11.487 ( 0.000 -20.479 0.000) 20.479 11.538 ( 0.000 -5.544 0.000) 5.544 11.584 ( 0.000 8.289 0.000) 8.289 11.661 ( 0.000 -2.895 0.000) 2.895 11.888 ( 0.000 -7.093 0.000) 7.093 12.081 ( 0.000 -7.827 0.000) 7.827 12.156 ( 0.000 -17.340 0.000) 17.340 12.196 ( 0.000 6.882 0.000) 6.882 12.546 ( 0.000 4.547 0.000) 4.547 12.605 ( 0.000 0.689 0.000) 0.689 12.736 ( 0.000 3.368 0.000) 3.368 12.883 ( 0.000 -13.286 0.000) 13.286 13.370 ( 0.000 8.713 0.000) 8.713 13.374 ( 0.000 2.979 0.000) 2.979 13.406 ( 0.000 -10.748 0.000) 10.748 13.448 ( 0.000 3.378 0.000) 3.378 13.753 ( 0.000 -3.932 0.000) 3.932 15.902 ( 0.000 2.268 0.000) 2.268 16.125 ( 0.000 0.075 0.000) 0.075 16.188 ( 0.000 -5.501 0.000) 5.501 16.324 ( 0.000 -4.662 0.000) 4.662 16.420 ( 0.000 1.320 0.000) 1.320 16.494 ( 0.000 -5.622 0.000) 5.622 16.532 ( 0.000 -7.242 0.000) 7.242 16.710 ( 0.000 -5.909 0.000) 5.909 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 2.301 1.853 0.000) 2.954 2.509 ( 2.856 10.042 0.000) 10.441 2.590 ( 0.554 -0.529 0.000) 0.766 2.676 ( 0.220 8.976 0.000) 8.979 2.684 ( -0.997 6.739 0.000) 6.812 2.822 ( -3.130 0.776 0.000) 3.225 2.996 ( -1.229 -1.848 0.000) 2.220 3.037 ( 2.130 -2.621 0.000) 3.378 3.136 ( 2.399 3.795 0.000) 4.490 3.314 ( -3.871 4.850 0.000) 6.206 3.367 ( 0.836 9.239 0.000) 9.277 3.473 ( 2.522 -3.694 0.000) 4.473 3.562 ( 2.178 0.228 0.000) 2.190 3.649 ( -6.705 9.968 0.000) 12.014 3.850 ( -7.419 -4.922 0.000) 8.903 3.852 ( -6.117 -0.917 0.000) 6.185 3.954 ( 2.751 -1.521 0.000) 3.143 4.047 ( -1.346 -3.029 0.000) 3.315 4.232 ( 9.853 -6.947 0.000) 12.056 4.279 ( 6.789 -7.064 0.000) 9.797 4.553 ( -1.280 -0.498 0.000) 1.374 4.596 ( -2.207 1.947 0.000) 2.943 4.847 ( 5.868 -9.718 0.000) 11.352 4.919 ( -0.419 2.890 0.000) 2.920 5.013 ( 0.521 5.791 0.000) 5.815 5.073 ( 1.640 1.020 0.000) 1.932 5.243 ( -6.903 12.148 0.000) 13.972 5.320 ( -6.979 9.887 0.000) 12.102 5.573 ( 1.939 9.623 0.000) 9.816 5.618 ( 3.015 8.448 0.000) 8.970 5.713 ( -2.544 20.703 0.000) 20.859 5.965 ( -5.229 11.072 0.000) 12.245 6.081 ( 5.932 9.434 0.000) 11.144 6.119 ( 2.935 15.260 0.000) 15.540 6.183 ( 3.500 5.541 0.000) 6.554 6.260 ( 2.242 11.617 0.000) 11.831 6.356 ( -1.875 13.923 0.000) 14.049 6.376 ( -0.927 2.143 0.000) 2.335 6.448 ( 0.834 8.451 0.000) 8.492 6.567 ( -2.304 -1.274 0.000) 2.633 8.035 ( -0.662 5.733 0.000) 5.771 8.039 ( 0.128 3.973 0.000) 3.975 8.231 ( 1.485 -0.412 0.000) 1.541 8.322 ( 0.097 0.735 0.000) 0.742 8.762 ( 5.100 7.294 0.000) 8.900 8.889 ( 6.690 4.008 0.000) 7.799 9.115 ( 1.159 -0.901 0.000) 1.468 9.178 ( 4.513 -3.006 0.000) 5.422 9.703 ( -1.889 6.188 0.000) 6.470 9.845 ( -0.268 -1.043 0.000) 1.077 9.895 ( 3.840 -3.874 0.000) 5.454 10.011 ( 3.107 -3.664 0.000) 4.804 10.021 ( 4.629 -9.580 0.000) 10.640 10.166 ( -8.193 7.433 0.000) 11.062 10.586 ( 5.638 8.543 0.000) 10.235 10.657 ( -7.853 -16.679 0.000) 18.435 10.895 ( -12.640 -9.122 0.000) 15.588 10.904 ( 4.278 10.578 0.000) 11.410 11.350 ( -9.016 5.866 0.000) 10.756 11.417 ( -0.835 7.214 0.000) 7.262 11.490 ( -0.695 2.216 0.000) 2.322 11.691 ( 8.179 -11.472 0.000) 14.089 11.765 ( -12.092 -1.653 0.000) 12.204 11.813 ( 8.875 -4.627 0.000) 10.009 12.036 ( -1.344 -12.469 0.000) 12.541 12.113 ( -4.494 2.851 0.000) 5.322 12.207 ( 2.446 -15.167 0.000) 15.363 12.514 ( -3.567 -3.519 0.000) 5.011 12.669 ( 5.786 4.561 0.000) 7.368 12.855 ( 8.424 -2.877 0.000) 8.901 12.921 ( 4.946 -2.550 0.000) 5.565 13.263 ( -9.234 4.683 0.000) 10.353 13.345 ( -4.940 6.621 0.000) 8.261 13.368 ( -5.755 3.049 0.000) 6.513 13.444 ( 3.520 -9.719 0.000) 10.337 13.726 ( -2.862 -4.094 0.000) 4.995 15.953 ( 4.417 1.504 0.000) 4.666 16.106 ( -1.484 -0.055 0.000) 1.485 16.176 ( -0.756 -5.276 0.000) 5.330 16.297 ( -2.511 -4.772 0.000) 5.392 16.446 ( 1.917 0.727 0.000) 2.050 16.474 ( -0.846 -4.315 0.000) 4.397 16.592 ( 4.215 -7.430 0.000) 8.543 16.711 ( 0.056 -5.833 0.000) 5.833 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 1.157 7.831 0.000) 7.916 2.559 ( 1.162 2.882 0.000) 3.107 2.605 ( 2.848 3.282 0.000) 4.345 2.662 ( -1.394 5.936 0.000) 6.098 2.695 ( 1.493 5.093 0.000) 5.308 2.748 ( -3.886 0.161 0.000) 3.889 2.982 ( 1.104 1.018 0.000) 1.502 3.038 ( -2.856 -1.467 0.000) 3.211 3.215 ( 4.468 -2.118 0.000) 4.945 3.276 ( -0.889 0.329 0.000) 0.948 3.394 ( 3.382 8.740 0.000) 9.372 3.481 ( -2.277 -3.396 0.000) 4.089 3.560 ( -2.240 10.930 0.000) 11.157 3.574 ( -1.701 -0.402 0.000) 1.748 3.732 ( -2.556 3.812 0.000) 4.589 3.742 ( -3.283 4.388 0.000) 5.480 4.003 ( 1.820 -3.469 0.000) 3.917 4.028 ( -0.875 -5.215 0.000) 5.288 4.405 ( 5.259 -6.833 0.000) 8.623 4.408 ( 6.324 -9.251 0.000) 11.206 4.527 ( -1.720 0.037 0.000) 1.720 4.534 ( -3.445 3.127 0.000) 4.652 4.925 ( 1.445 -0.816 0.000) 1.660 4.942 ( 2.023 -9.337 0.000) 9.554 5.056 ( 3.817 9.156 0.000) 9.920 5.089 ( 0.010 1.756 0.000) 1.756 5.113 ( -4.320 11.089 0.000) 11.901 5.167 ( -7.098 9.802 0.000) 12.102 5.614 ( 2.061 12.073 0.000) 12.247 5.659 ( -2.529 16.533 0.000) 16.725 5.709 ( 5.746 9.195 0.000) 10.843 5.838 ( -6.781 9.361 0.000) 11.559 6.192 ( 3.543 15.864 0.000) 16.255 6.198 ( 4.335 10.465 0.000) 11.328 6.258 ( 3.309 7.101 0.000) 7.834 6.284 ( -0.055 12.985 0.000) 12.985 6.308 ( -2.088 13.451 0.000) 13.612 6.339 ( -2.845 3.029 0.000) 4.155 6.472 ( 1.536 5.164 0.000) 5.387 6.513 ( -2.585 1.348 0.000) 2.915 8.028 ( 0.089 4.266 0.000) 4.267 8.036 ( -0.454 3.693 0.000) 3.720 8.270 ( 2.187 -0.526 0.000) 2.249 8.309 ( -1.456 -0.868 0.000) 1.695 8.905 ( 8.466 9.782 0.000) 12.937 9.038 ( 1.139 5.481 0.000) 5.598 9.104 ( 2.858 4.162 0.000) 5.049 9.220 ( -2.385 0.621 0.000) 2.464 9.727 ( 4.606 1.777 0.000) 4.937 9.821 ( -2.544 -2.038 0.000) 3.260 10.001 ( 5.905 -5.271 0.000) 7.916 10.025 ( -3.189 -1.510 0.000) 3.528 10.057 ( -2.238 -9.887 0.000) 10.138 10.071 ( 0.549 -6.258 0.000) 6.282 10.542 ( -1.536 -13.969 0.000) 14.053 10.603 ( -6.356 -8.291 0.000) 10.447 10.790 ( 6.999 6.751 0.000) 9.725 10.967 ( -4.320 4.386 0.000) 6.156 11.182 ( 1.823 11.959 0.000) 12.097 11.408 ( -12.979 7.702 0.000) 15.092 11.452 ( 2.272 9.292 0.000) 9.565 11.504 ( -5.127 3.414 0.000) 6.159 11.856 ( 6.210 -10.433 0.000) 12.141 11.910 ( 0.597 -4.099 0.000) 4.143 12.061 ( -0.673 -2.606 0.000) 2.692 12.063 ( 1.429 -13.640 0.000) 13.715 12.257 ( 4.614 -14.444 0.000) 15.163 12.398 ( -7.519 -12.469 0.000) 14.561 12.827 ( 9.567 4.244 0.000) 10.466 12.999 ( 7.636 -3.179 0.000) 8.272 13.041 ( -11.497 4.737 0.000) 12.435 13.092 ( 9.414 6.402 0.000) 11.385 13.177 ( -9.570 -0.005 0.000) 9.570 13.256 ( -6.738 7.243 0.000) 9.893 13.536 ( 5.281 -7.359 0.000) 9.058 13.643 ( -5.070 -5.181 0.000) 7.249 16.041 ( 3.370 -0.073 0.000) 3.371 16.080 ( -1.135 -0.559 0.000) 1.265 16.179 ( 1.444 -4.797 0.000) 5.010 16.234 ( -3.459 -4.712 0.000) 5.846 16.468 ( 0.205 -2.080 0.000) 2.090 16.471 ( 0.331 -0.370 0.000) 0.496 16.669 ( 2.997 -6.971 0.000) 7.588 16.706 ( -0.810 -6.159 0.000) 6.212 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 0.000 1.800 0.000) 1.800 2.554 ( 0.000 -1.364 0.000) 1.364 2.678 ( 0.000 9.912 0.000) 9.912 2.804 ( 0.000 3.613 0.000) 3.613 2.835 ( 0.000 6.435 0.000) 6.435 2.855 ( 0.000 -1.242 0.000) 1.242 2.864 ( 0.000 -8.064 0.000) 8.064 2.939 ( 0.000 -4.302 0.000) 4.302 3.295 ( 0.000 6.622 0.000) 6.622 3.386 ( 0.000 -2.916 0.000) 2.916 3.438 ( 0.000 3.443 0.000) 3.443 3.497 ( 0.000 -2.407 0.000) 2.407 3.582 ( 0.000 11.045 0.000) 11.045 3.784 ( 0.000 -9.218 0.000) 9.218 3.854 ( 0.000 0.308 0.000) 0.308 3.883 ( 0.000 1.347 0.000) 1.347 3.901 ( 0.000 -0.252 0.000) 0.252 3.974 ( 0.000 -4.428 0.000) 4.428 4.045 ( 0.000 -1.067 0.000) 1.067 4.067 ( 0.000 -3.322 0.000) 3.322 4.569 ( 0.000 1.129 0.000) 1.129 4.631 ( 0.000 -5.190 0.000) 5.190 4.682 ( 0.000 5.213 0.000) 5.213 4.819 ( 0.000 -8.106 0.000) 8.106 5.122 ( 0.000 4.150 0.000) 4.150 5.136 ( 0.000 2.581 0.000) 2.581 5.487 ( 0.000 4.922 0.000) 4.922 5.518 ( 0.000 2.157 0.000) 2.157 5.677 ( 0.000 2.347 0.000) 2.347 5.678 ( 0.000 2.599 0.000) 2.599 6.085 ( 0.000 11.297 0.000) 11.297 6.160 ( 0.000 5.093 0.000) 5.093 6.179 ( 0.000 1.936 0.000) 1.936 6.201 ( 0.000 0.873 0.000) 0.873 6.284 ( 0.000 5.563 0.000) 5.563 6.326 ( 0.000 1.095 0.000) 1.095 6.457 ( 0.000 4.442 0.000) 4.442 6.533 ( 0.000 -3.419 0.000) 3.419 6.565 ( 0.000 5.448 0.000) 5.448 6.582 ( 0.000 3.609 0.000) 3.609 8.128 ( 0.000 4.354 0.000) 4.354 8.191 ( 0.000 -2.013 0.000) 2.013 8.192 ( 0.000 7.439 0.000) 7.439 8.308 ( 0.000 -3.576 0.000) 3.576 8.842 ( 0.000 8.097 0.000) 8.097 8.915 ( 0.000 4.635 0.000) 4.635 9.004 ( 0.000 -7.538 0.000) 7.538 9.006 ( 0.000 -4.530 0.000) 4.530 9.766 ( 0.000 0.334 0.000) 0.334 9.821 ( 0.000 -5.124 0.000) 5.124 9.877 ( 0.000 2.213 0.000) 2.213 9.924 ( 0.000 -2.572 0.000) 2.572 10.023 ( 0.000 15.171 0.000) 15.171 10.370 ( 0.000 -19.312 0.000) 19.312 10.575 ( 0.000 18.267 0.000) 18.267 10.667 ( 0.000 9.505 0.000) 9.505 10.890 ( 0.000 -10.110 0.000) 10.110 11.019 ( 0.000 -23.823 0.000) 23.823 11.117 ( 0.000 13.425 0.000) 13.425 11.368 ( 0.000 -11.219 0.000) 11.219 11.587 ( 0.000 7.086 0.000) 7.086 11.635 ( 0.000 -0.051 0.000) 0.051 11.727 ( 0.000 5.792 0.000) 5.792 11.808 ( 0.000 -2.938 0.000) 2.938 11.904 ( 0.000 -6.339 0.000) 6.339 11.933 ( 0.000 -6.612 0.000) 6.612 12.326 ( 0.000 7.106 0.000) 7.106 12.517 ( 0.000 -12.829 0.000) 12.829 12.601 ( 0.000 1.556 0.000) 1.556 12.615 ( 0.000 0.028 0.000) 0.028 12.982 ( 0.000 10.394 0.000) 10.394 13.192 ( 0.000 -10.797 0.000) 10.797 13.440 ( 0.000 3.198 0.000) 3.198 13.477 ( 0.000 0.211 0.000) 0.211 13.520 ( 0.000 6.232 0.000) 6.232 13.648 ( 0.000 -6.312 0.000) 6.312 15.976 ( 0.000 4.833 0.000) 4.833 16.080 ( 0.000 -5.481 0.000) 5.481 16.144 ( 0.000 1.989 0.000) 1.989 16.210 ( 0.000 -4.749 0.000) 4.749 16.426 ( 0.000 -1.359 0.000) 1.359 16.438 ( 0.000 -2.524 0.000) 2.524 16.509 ( 0.000 5.222 0.000) 5.222 16.608 ( 0.000 -4.824 0.000) 4.824 ======================= Grid point 36 (23/72) ======================= q-point: ( 0.20 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 1.924 1.666 0.000) 2.545 2.570 ( 1.467 -1.333 0.000) 1.982 2.693 ( 0.833 8.482 0.000) 8.523 2.793 ( -0.886 4.480 0.000) 4.567 2.809 ( -3.208 -2.534 0.000) 4.088 2.836 ( 0.070 7.082 0.000) 7.083 2.895 ( 1.721 -6.402 0.000) 6.629 2.957 ( 1.133 -5.170 0.000) 5.293 3.250 ( -2.585 6.276 0.000) 6.788 3.371 ( -1.634 -5.891 0.000) 6.114 3.405 ( -3.181 4.192 0.000) 5.262 3.464 ( -2.735 -0.808 0.000) 2.852 3.623 ( 3.068 6.589 0.000) 7.268 3.748 ( -1.535 -5.573 0.000) 5.781 3.845 ( -1.088 6.579 0.000) 6.668 3.856 ( -0.908 1.856 0.000) 2.066 3.923 ( 1.531 0.739 0.000) 1.700 4.027 ( -1.087 1.956 0.000) 2.238 4.072 ( 6.872 -9.109 0.000) 11.411 4.127 ( 4.265 -7.384 0.000) 8.528 4.577 ( 0.924 3.117 0.000) 3.251 4.663 ( -1.678 5.433 0.000) 5.686 4.678 ( 3.785 -7.043 0.000) 7.996 4.803 ( -1.256 -8.187 0.000) 8.283 5.137 ( 1.498 3.993 0.000) 4.264 5.148 ( 1.174 2.665 0.000) 2.912 5.416 ( -6.270 5.270 0.000) 8.191 5.445 ( -6.654 2.448 0.000) 7.090 5.698 ( 2.565 3.264 0.000) 4.151 5.713 ( 3.538 1.676 0.000) 3.915 6.009 ( -5.789 9.235 0.000) 10.899 6.086 ( -6.873 1.188 0.000) 6.975 6.220 ( 4.963 4.752 0.000) 6.871 6.257 ( 4.818 1.177 0.000) 4.960 6.345 ( 4.509 7.260 0.000) 8.546 6.395 ( 4.048 1.962 0.000) 4.498 6.451 ( -0.583 4.490 0.000) 4.528 6.522 ( -0.971 -3.090 0.000) 3.239 6.554 ( -1.193 5.618 0.000) 5.744 6.575 ( -0.666 3.324 0.000) 3.390 8.128 ( -0.015 4.506 0.000) 4.506 8.167 ( -1.908 7.080 0.000) 7.332 8.201 ( 0.902 -2.684 0.000) 2.832 8.287 ( -1.718 -4.393 0.000) 4.717 8.929 ( 7.765 8.997 0.000) 11.885 8.986 ( 6.803 5.334 0.000) 8.645 9.076 ( 6.208 -3.298 0.000) 7.030 9.088 ( 7.320 -6.465 0.000) 9.766 9.772 ( 0.029 1.273 0.000) 1.274 9.851 ( -2.633 2.275 0.000) 3.479 9.852 ( 1.980 -6.884 0.000) 7.163 9.927 ( -0.108 -4.659 0.000) 4.660 9.983 ( -2.185 12.912 0.000) 13.095 10.299 ( -5.553 -17.948 0.000) 18.788 10.365 ( -13.034 12.510 0.000) 18.066 10.628 ( -13.849 -12.166 0.000) 18.434 10.852 ( 7.954 13.441 0.000) 15.618 11.147 ( 2.160 12.936 0.000) 13.115 11.199 ( 9.343 -20.225 0.000) 22.279 11.361 ( -1.108 -5.825 0.000) 5.930 11.573 ( -0.504 6.500 0.000) 6.520 11.702 ( 5.400 -5.501 0.000) 7.708 11.708 ( -2.414 5.893 0.000) 6.368 11.782 ( -2.085 -0.647 0.000) 2.183 11.861 ( -1.798 -1.824 0.000) 2.561 11.967 ( 1.700 -9.440 0.000) 9.592 12.183 ( -9.189 5.126 0.000) 10.522 12.345 ( -10.559 -10.840 0.000) 15.133 12.727 ( 8.789 2.729 0.000) 9.203 12.777 ( 9.272 -2.214 0.000) 9.533 13.057 ( 6.990 9.247 0.000) 11.592 13.247 ( 5.239 -9.933 0.000) 11.230 13.340 ( -8.711 3.227 0.000) 9.289 13.381 ( -8.871 -0.493 0.000) 8.885 13.491 ( -3.085 6.673 0.000) 7.352 13.620 ( -3.108 -6.247 0.000) 6.978 16.004 ( 2.429 3.426 0.000) 4.199 16.081 ( 0.270 -4.341 0.000) 4.349 16.124 ( -1.709 2.020 0.000) 2.646 16.189 ( -1.923 -4.650 0.000) 5.032 16.438 ( 1.509 0.413 0.000) 1.565 16.481 ( 3.517 -3.873 0.000) 5.232 16.518 ( 0.568 4.700 0.000) 4.734 16.611 ( 0.107 -4.677 0.000) 4.678 ======================= Grid point 37 (24/72) ======================= q-point: ( 0.40 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 3.617 1.482 0.000) 3.909 2.620 ( 3.879 -0.497 0.000) 3.910 2.671 ( -3.076 3.879 0.000) 4.951 2.719 ( -5.219 -0.996 0.000) 5.314 2.804 ( 1.598 6.348 0.000) 6.546 2.831 ( -0.764 7.215 0.000) 7.255 2.931 ( 1.868 -5.604 0.000) 5.907 2.962 ( -0.833 -5.722 0.000) 5.782 3.241 ( 2.017 4.399 0.000) 4.839 3.317 ( -4.865 3.720 0.000) 6.124 3.355 ( 0.865 -6.656 0.000) 6.713 3.403 ( -3.246 -4.309 0.000) 5.394 3.677 ( 3.312 7.512 0.000) 8.210 3.768 ( -4.916 7.114 0.000) 8.648 3.787 ( 4.286 -1.873 0.000) 4.678 3.856 ( -1.695 1.533 0.000) 2.286 3.960 ( 2.233 5.281 0.000) 5.733 4.000 ( -1.643 5.628 0.000) 5.863 4.184 ( 3.441 -12.553 0.000) 13.016 4.197 ( 1.948 -11.722 0.000) 11.883 4.601 ( 1.241 5.892 0.000) 6.022 4.627 ( -1.590 6.388 0.000) 6.583 4.749 ( 2.672 -9.003 0.000) 9.392 4.781 ( -0.959 -8.842 0.000) 8.894 5.185 ( 3.219 3.812 0.000) 4.989 5.191 ( 3.630 3.325 0.000) 4.922 5.279 ( -6.293 4.896 0.000) 7.973 5.298 ( -6.885 3.012 0.000) 7.515 5.777 ( 4.992 4.752 0.000) 6.893 5.810 ( 5.917 1.432 0.000) 6.087 5.888 ( -5.907 6.871 0.000) 9.061 5.942 ( -7.065 1.233 0.000) 7.172 6.323 ( 4.730 4.385 0.000) 6.450 6.359 ( 4.721 1.419 0.000) 4.930 6.395 ( -1.753 4.909 0.000) 5.213 6.425 ( -0.683 3.121 0.000) 3.195 6.462 ( 2.004 5.603 0.000) 5.951 6.516 ( -2.528 6.377 0.000) 6.860 6.520 ( 1.537 -0.698 0.000) 1.688 6.555 ( -1.403 2.079 0.000) 2.508 8.127 ( 0.007 5.193 0.000) 5.193 8.135 ( -0.992 6.221 0.000) 6.299 8.223 ( 1.239 -4.059 0.000) 4.243 8.252 ( -1.640 -4.896 0.000) 5.164 9.104 ( 8.059 9.284 0.000) 12.294 9.150 ( 6.933 5.393 0.000) 8.784 9.190 ( 3.346 2.352 0.000) 4.090 9.223 ( 3.542 -2.000 0.000) 4.068 9.757 ( 0.035 1.158 0.000) 1.158 9.786 ( -2.749 0.639 0.000) 2.823 9.851 ( -1.556 -8.568 0.000) 8.708 9.887 ( -4.197 -8.509 0.000) 9.488 10.006 ( 4.104 6.835 0.000) 7.972 10.131 ( -8.887 9.217 0.000) 12.804 10.239 ( 1.501 -14.965 0.000) 15.040 10.366 ( -10.554 -13.400 0.000) 17.057 11.015 ( 7.744 14.723 0.000) 16.635 11.143 ( -3.893 12.067 0.000) 12.679 11.335 ( 3.652 -16.018 0.000) 16.429 11.347 ( 0.693 -2.370 0.000) 2.469 11.570 ( 0.311 6.998 0.000) 7.005 11.619 ( -4.920 10.718 0.000) 11.794 11.763 ( 0.179 -1.799 0.000) 1.808 11.770 ( 0.177 -8.072 0.000) 8.074 11.906 ( 6.575 -1.435 0.000) 6.730 12.009 ( 3.328 -9.371 0.000) 9.945 12.033 ( -5.933 0.134 0.000) 5.934 12.141 ( -9.331 -10.968 0.000) 14.400 12.911 ( 9.864 3.707 0.000) 10.537 12.965 ( 9.740 -1.704 0.000) 9.888 13.128 ( -11.416 3.556 0.000) 11.957 13.173 ( -10.862 -0.994 0.000) 10.907 13.227 ( 8.961 7.371 0.000) 11.604 13.381 ( 7.403 -8.045 0.000) 10.933 13.390 ( -6.826 6.637 0.000) 9.521 13.523 ( -6.320 -6.685 0.000) 9.200 16.054 ( 2.102 1.381 0.000) 2.515 16.089 ( -1.655 1.512 0.000) 2.242 16.098 ( 1.543 -3.175 0.000) 3.530 16.142 ( -2.544 -3.876 0.000) 4.636 16.480 ( 2.335 2.643 0.000) 3.527 16.516 ( -0.989 3.831 0.000) 3.957 16.555 ( 3.299 -4.747 0.000) 5.781 16.602 ( -1.283 -4.683 0.000) 4.855 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 0.000 0.000 27.646) 27.646 0.631 ( 0.000 0.000 28.703) 28.703 1.114 ( 0.000 0.000 49.989) 49.989 1.615 ( 0.000 0.000 -14.299) 14.299 1.641 ( 0.000 0.000 -17.433) 17.433 2.056 ( 0.000 0.000 13.952) 13.952 2.082 ( 0.000 0.000 -0.046) 0.046 2.251 ( 0.000 0.000 -3.702) 3.702 2.434 ( 0.000 0.000 13.247) 13.247 2.447 ( 0.000 0.000 1.508) 1.508 2.473 ( 0.000 0.000 9.353) 9.353 2.522 ( 0.000 0.000 -1.619) 1.619 2.602 ( 0.000 0.000 -2.970) 2.970 2.695 ( 0.000 0.000 0.153) 0.153 2.740 ( 0.000 0.000 -0.400) 0.400 2.769 ( 0.000 0.000 -5.111) 5.111 2.825 ( 0.000 0.000 -5.970) 5.970 2.850 ( 0.000 0.000 -14.651) 14.651 3.041 ( 0.000 0.000 -15.881) 15.881 3.070 ( 0.000 0.000 5.089) 5.089 3.228 ( 0.000 0.000 -2.036) 2.036 3.249 ( 0.000 0.000 -21.805) 21.805 3.713 ( 0.000 0.000 7.355) 7.355 3.734 ( 0.000 0.000 0.972) 0.972 4.190 ( 0.000 0.000 18.563) 18.563 4.195 ( 0.000 0.000 -8.700) 8.700 4.453 ( 0.000 0.000 -6.660) 6.660 4.730 ( 0.000 0.000 4.583) 4.583 4.776 ( 0.000 0.000 -1.216) 1.216 4.991 ( 0.000 0.000 9.506) 9.506 5.252 ( 0.000 0.000 -12.596) 12.596 5.335 ( 0.000 0.000 4.912) 4.912 5.576 ( 0.000 0.000 4.461) 4.461 5.712 ( 0.000 0.000 -0.843) 0.843 5.789 ( 0.000 0.000 3.259) 3.259 5.844 ( 0.000 0.000 -5.423) 5.423 6.005 ( 0.000 0.000 -0.295) 0.295 6.175 ( 0.000 0.000 -3.493) 3.493 6.848 ( 0.000 0.000 10.215) 10.215 7.088 ( 0.000 0.000 0.224) 0.224 7.774 ( 0.000 0.000 5.597) 5.597 8.034 ( 0.000 0.000 2.360) 2.360 8.221 ( 0.000 0.000 -7.455) 7.455 8.230 ( 0.000 0.000 5.440) 5.440 8.433 ( 0.000 0.000 -7.843) 7.843 8.577 ( 0.000 0.000 -2.335) 2.335 8.592 ( 0.000 0.000 1.282) 1.282 8.635 ( 0.000 0.000 -5.774) 5.774 8.814 ( 0.000 0.000 6.854) 6.854 8.998 ( 0.000 0.000 -1.327) 1.327 9.468 ( 0.000 0.000 3.173) 3.173 9.583 ( 0.000 0.000 -1.343) 1.343 9.635 ( 0.000 0.000 6.919) 6.919 9.974 ( 0.000 0.000 -6.719) 6.719 10.400 ( 0.000 0.000 1.046) 1.046 10.415 ( 0.000 0.000 1.111) 1.111 10.474 ( 0.000 0.000 -1.077) 1.077 10.820 ( 0.000 0.000 13.513) 13.513 10.913 ( 0.000 0.000 -15.048) 15.048 11.178 ( 0.000 0.000 0.775) 0.775 11.223 ( 0.000 0.000 -5.042) 5.042 11.225 ( 0.000 0.000 -0.941) 0.941 11.457 ( 0.000 0.000 1.548) 1.548 11.465 ( 0.000 0.000 -0.530) 0.530 12.540 ( 0.000 0.000 9.414) 9.414 12.780 ( 0.000 0.000 0.567) 0.567 12.800 ( 0.000 0.000 0.111) 0.111 12.817 ( 0.000 0.000 -0.347) 0.347 12.825 ( 0.000 0.000 -0.323) 0.323 12.910 ( 0.000 0.000 -4.196) 4.196 13.000 ( 0.000 0.000 1.319) 1.319 13.151 ( 0.000 0.000 -4.789) 4.789 13.972 ( 0.000 0.000 2.772) 2.772 14.046 ( 0.000 0.000 0.195) 0.195 14.234 ( 0.000 0.000 2.043) 2.043 14.391 ( 0.000 0.000 -3.485) 3.485 15.919 ( 0.000 0.000 1.407) 1.407 15.985 ( 0.000 0.000 -0.870) 0.870 16.462 ( 0.000 0.000 -0.850) 0.850 16.494 ( 0.000 0.000 -2.555) 2.555 17.742 ( 0.000 0.000 5.324) 5.324 17.999 ( 0.000 0.000 -4.638) 4.638 18.340 ( 0.000 0.000 3.033) 3.033 18.468 ( 0.000 0.000 -1.596) 1.596 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 17.197 0.000 20.872) 27.043 0.889 ( 21.257 0.000 19.729) 29.002 1.373 ( 24.820 0.000 37.616) 45.066 1.662 ( 4.120 0.000 -11.436) 12.155 1.744 ( 8.516 0.000 -16.849) 18.879 1.962 ( -10.797 0.000 0.331) 10.802 2.024 ( -7.946 0.000 11.389) 13.887 2.172 ( -6.768 0.000 -4.132) 7.930 2.435 ( -0.075 0.000 5.266) 5.267 2.469 ( -1.388 0.000 7.937) 8.057 2.486 ( 2.903 0.000 0.431) 2.934 2.577 ( 2.419 0.000 0.851) 2.564 2.586 ( 1.741 0.000 -0.427) 1.793 2.646 ( -4.775 0.000 -1.520) 5.011 2.756 ( 4.134 0.000 1.963) 4.577 2.794 ( 0.407 0.000 -7.765) 7.775 2.885 ( 3.710 0.000 -8.228) 9.026 2.891 ( 3.773 0.000 -3.499) 5.146 3.065 ( -0.186 0.000 4.242) 4.247 3.070 ( 4.731 0.000 -14.153) 14.923 3.208 ( -1.912 0.000 -1.946) 2.728 3.276 ( 1.940 0.000 -16.161) 16.277 3.552 ( -7.002 0.000 8.203) 10.785 3.814 ( 2.042 0.000 -2.480) 3.212 4.041 ( -8.638 0.000 13.032) 15.635 4.149 ( -10.086 0.000 -9.061) 13.558 4.449 ( 0.430 0.000 -14.680) 14.686 4.707 ( -10.301 0.000 -9.848) 14.251 4.921 ( -2.888 0.000 6.525) 7.136 4.990 ( 11.697 0.000 7.785) 14.051 5.093 ( -1.837 0.000 2.402) 3.024 5.377 ( 0.570 0.000 -2.835) 2.892 5.554 ( -7.679 0.000 3.634) 8.495 5.581 ( -3.922 0.000 5.055) 6.398 5.911 ( 4.589 0.000 -0.114) 4.591 5.928 ( 8.772 0.000 -2.946) 9.254 6.031 ( 4.889 0.000 0.395) 4.905 6.300 ( 8.647 0.000 -6.483) 10.807 6.791 ( -6.810 0.000 9.867) 11.988 7.054 ( -2.563 0.000 -1.843) 3.157 7.785 ( 1.138 0.000 5.437) 5.555 7.988 ( -4.068 0.000 3.061) 5.090 8.228 ( 0.716 0.000 -7.699) 7.732 8.342 ( 5.581 0.000 3.102) 6.386 8.382 ( -4.017 0.000 -7.044) 8.109 8.458 ( -2.788 0.000 4.525) 5.315 8.582 ( -2.439 0.000 -0.240) 2.451 8.672 ( 1.844 0.000 -3.668) 4.105 8.904 ( 7.755 0.000 5.680) 9.613 9.069 ( 6.358 0.000 -1.169) 6.465 9.423 ( -4.265 0.000 3.207) 5.336 9.542 ( -3.944 0.000 -1.436) 4.197 9.813 ( 16.952 0.000 3.988) 17.415 10.047 ( 5.547 0.000 -3.993) 6.835 10.386 ( -1.262 0.000 0.312) 1.300 10.421 ( 0.570 0.000 0.893) 1.059 10.468 ( -0.556 0.000 -0.856) 1.020 10.615 ( -9.844 0.000 0.430) 9.854 11.185 ( 0.578 0.000 0.597) 0.831 11.186 ( 12.889 0.000 0.605) 12.903 11.222 ( -0.283 0.000 -0.788) 0.837 11.275 ( 5.490 0.000 -5.667) 7.890 11.481 ( 4.598 0.000 -1.232) 4.760 11.585 ( 4.176 0.000 -6.945) 8.104 12.412 ( -13.594 0.000 10.058) 16.911 12.682 ( -27.297 0.000 7.279) 28.251 12.782 ( 0.165 0.000 0.539) 0.563 12.798 ( -0.201 0.000 0.185) 0.273 12.818 ( 0.054 0.000 -0.375) 0.378 12.824 ( -0.071 0.000 -0.341) 0.349 12.910 ( -1.773 0.000 -1.286) 2.190 12.966 ( -2.803 0.000 -1.172) 3.038 13.943 ( -1.872 0.000 2.190) 2.881 13.994 ( -3.394 0.000 2.128) 4.006 14.260 ( 2.487 0.000 1.769) 3.052 14.388 ( -0.610 0.000 -2.546) 2.618 16.009 ( 6.877 0.000 0.778) 6.921 16.142 ( 8.738 0.000 -6.667) 10.991 16.478 ( 2.448 0.000 -1.108) 2.687 16.572 ( 4.079 0.000 -3.702) 5.508 17.747 ( 0.758 0.000 4.170) 4.239 17.983 ( -2.605 0.000 -3.795) 4.603 18.204 ( -12.482 0.000 9.591) 15.741 18.281 ( -6.153 0.000 2.372) 6.594 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 20.335 0.000 12.476) 23.858 1.311 ( 20.500 0.000 17.747) 27.115 1.603 ( -15.515 0.000 7.009) 17.025 1.701 ( -17.116 0.000 13.974) 22.096 1.852 ( 5.701 0.000 -10.831) 12.240 1.981 ( 25.592 0.000 5.713) 26.222 2.003 ( 16.887 0.000 -1.729) 16.975 2.012 ( -8.642 0.000 -7.027) 11.139 2.284 ( -11.259 0.000 -7.994) 13.808 2.470 ( 3.104 0.000 2.519) 3.998 2.541 ( 1.267 0.000 -0.692) 1.444 2.551 ( -3.287 0.000 0.293) 3.300 2.583 ( -1.363 0.000 -0.890) 1.628 2.584 ( -18.421 0.000 2.034) 18.533 2.836 ( 11.168 0.000 11.305) 15.891 2.855 ( 4.695 0.000 2.495) 5.317 2.921 ( -1.297 0.000 0.731) 1.489 2.954 ( 1.693 0.000 2.485) 3.007 3.087 ( 2.766 0.000 0.394) 2.794 3.147 ( 1.719 0.000 -4.047) 4.397 3.154 ( -3.320 0.000 -1.533) 3.657 3.232 ( -6.449 0.000 -4.030) 7.605 3.552 ( 8.352 0.000 -1.753) 8.534 3.814 ( -13.185 0.000 -7.618) 15.227 3.911 ( 7.833 0.000 -8.519) 11.573 4.080 ( 4.718 0.000 -6.975) 8.421 4.295 ( -11.756 0.000 -11.951) 16.765 4.422 ( -14.848 0.000 -11.432) 18.739 4.944 ( 7.439 0.000 6.543) 9.907 5.110 ( -4.586 0.000 -3.583) 5.820 5.158 ( 5.954 0.000 8.529) 10.402 5.264 ( -6.303 0.000 1.490) 6.477 5.521 ( 1.560 0.000 4.123) 4.408 5.541 ( -0.700 0.000 5.073) 5.121 5.988 ( 2.642 0.000 -0.157) 2.647 6.006 ( 1.004 0.000 -0.033) 1.004 6.220 ( 10.454 0.000 1.211) 10.524 6.383 ( -3.499 0.000 -1.675) 3.879 6.738 ( 5.448 0.000 5.750) 7.921 6.927 ( -9.821 0.000 -1.664) 9.961 7.824 ( 2.784 0.000 4.933) 5.665 7.897 ( -4.413 0.000 4.104) 6.026 8.253 ( 1.853 0.000 -7.552) 7.776 8.305 ( -3.303 0.000 -7.055) 7.790 8.374 ( 2.685 0.000 -0.201) 2.692 8.466 ( -4.660 0.000 -3.186) 5.645 8.586 ( 5.655 0.000 5.719) 8.043 8.674 ( -2.172 0.000 2.158) 3.062 9.080 ( 8.892 0.000 4.700) 10.058 9.192 ( 2.061 0.000 1.325) 2.450 9.333 ( -1.340 0.000 1.165) 1.776 9.431 ( -6.733 0.000 -1.556) 6.911 10.180 ( 8.585 0.000 -0.605) 8.607 10.196 ( 14.535 0.000 -2.056) 14.680 10.338 ( -2.921 0.000 0.684) 3.000 10.436 ( 0.865 0.000 0.353) 0.934 10.454 ( -0.859 0.000 -0.303) 0.911 10.457 ( -6.973 0.000 -2.185) 7.307 11.199 ( 0.782 0.000 0.148) 0.796 11.213 ( -0.601 0.000 -0.379) 0.710 11.257 ( 3.148 0.000 5.975) 6.754 11.422 ( -8.768 0.000 3.290) 9.365 11.590 ( 12.902 0.000 -4.781) 13.759 11.674 ( 7.711 0.000 -4.066) 8.718 12.114 ( -10.831 0.000 5.984) 12.374 12.204 ( -19.130 0.000 4.277) 19.602 12.786 ( 0.289 0.000 0.456) 0.539 12.793 ( -0.312 0.000 0.328) 0.453 12.820 ( 0.106 0.000 -0.398) 0.412 12.822 ( -0.114 0.000 -0.379) 0.396 12.913 ( 1.460 0.000 -3.073) 3.402 12.940 ( -0.923 0.000 -3.111) 3.245 13.918 ( -0.386 0.000 1.398) 1.450 13.935 ( -2.105 0.000 1.425) 2.541 14.316 ( 2.732 0.000 0.749) 2.832 14.363 ( -1.846 0.000 -0.826) 2.023 16.159 ( 6.827 0.000 1.215) 6.934 16.234 ( 0.215 0.000 -1.402) 1.418 16.540 ( 3.323 0.000 -1.912) 3.834 16.595 ( -1.519 0.000 -2.387) 2.830 17.784 ( 3.105 0.000 1.753) 3.566 17.876 ( -6.005 0.000 0.936) 6.078 18.109 ( 0.480 0.000 2.062) 2.117 18.164 ( -4.745 0.000 0.673) 4.793 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 0.000 17.794 19.732) 26.570 0.897 ( 0.000 20.100 21.664) 29.552 1.548 ( 0.000 36.661 25.930) 44.905 1.708 ( 0.000 8.716 -9.135) 12.626 1.796 ( 0.000 14.392 -15.014) 20.798 2.115 ( 0.000 7.631 11.248) 13.592 2.257 ( 0.000 16.239 0.491) 16.246 2.403 ( 0.000 5.917 5.998) 8.425 2.478 ( 0.000 12.822 2.040) 12.983 2.516 ( 0.000 4.549 0.061) 4.550 2.620 ( 0.000 13.193 7.586) 15.218 2.648 ( 0.000 6.683 -2.361) 7.088 2.713 ( 0.000 3.938 -7.265) 8.264 2.722 ( 0.000 12.788 1.561) 12.883 2.807 ( 0.000 5.224 -3.192) 6.122 2.892 ( 0.000 15.856 -2.455) 16.045 2.900 ( 0.000 15.352 -0.761) 15.370 3.034 ( 0.000 3.617 -11.820) 12.361 3.086 ( 0.000 14.412 -9.293) 17.148 3.255 ( 0.000 15.925 3.178) 16.239 3.298 ( 0.000 5.358 -17.240) 18.054 3.412 ( 0.000 17.662 -2.293) 17.810 3.711 ( 0.000 1.430 7.654) 7.787 3.761 ( 0.000 3.237 -2.603) 4.154 4.176 ( 0.000 -0.766 20.499) 20.513 4.200 ( 0.000 0.603 -9.143) 9.162 4.431 ( 0.000 -0.993 -8.926) 8.981 4.734 ( 0.000 0.342 3.023) 3.042 4.757 ( 0.000 -1.395 1.056) 1.749 4.976 ( 0.000 -1.374 10.408) 10.498 5.212 ( 0.000 -7.054 10.002) 12.240 5.223 ( 0.000 -2.799 -12.486) 12.795 5.554 ( 0.000 -2.082 4.466) 4.927 5.700 ( 0.000 -0.963 -1.260) 1.586 5.761 ( 0.000 -2.564 3.691) 4.494 5.846 ( 0.000 0.490 -5.557) 5.578 6.000 ( 0.000 -0.359 -0.357) 0.506 6.129 ( 0.000 -4.072 -2.305) 4.680 6.772 ( 0.000 -6.201 6.968) 9.327 6.975 ( 0.000 -9.018 -1.603) 9.159 8.080 ( 0.000 14.682 -8.298) 16.864 8.166 ( 0.000 6.837 -2.183) 7.177 8.197 ( 0.000 -2.277 3.566) 4.231 8.351 ( 0.000 14.189 0.571) 14.200 8.483 ( 0.000 -0.923 -6.193) 6.262 8.562 ( 0.000 -0.740 1.612) 1.774 8.571 ( 0.000 -0.250 0.216) 0.330 8.642 ( 0.000 5.934 -7.421) 9.502 9.024 ( 0.000 18.550 5.042) 19.223 9.181 ( 0.000 16.658 -1.371) 16.715 9.594 ( 0.000 11.819 2.974) 12.187 9.617 ( 0.000 -0.932 8.733) 8.783 9.703 ( 0.000 10.928 -1.243) 10.998 10.006 ( 0.000 2.294 -5.691) 6.136 10.293 ( 0.000 -4.582 0.539) 4.613 10.476 ( 0.000 -0.207 -3.285) 3.291 10.525 ( 0.000 5.337 3.441) 6.350 10.818 ( 0.000 0.899 10.013) 10.053 10.891 ( 0.000 -4.936 -7.626) 9.084 11.086 ( 0.000 -4.171 -2.281) 4.754 11.207 ( 0.000 -1.176 -2.094) 2.402 11.249 ( 0.000 0.444 -8.397) 8.409 11.586 ( 0.000 9.833 0.399) 9.841 11.708 ( 0.000 14.633 -10.195) 17.834 12.538 ( 0.000 -1.869 9.420) 9.604 12.559 ( 0.000 -15.422 1.954) 15.545 12.581 ( 0.000 -17.066 -1.118) 17.103 12.734 ( 0.000 -6.075 2.741) 6.665 12.803 ( 0.000 0.687 1.204) 1.387 12.970 ( 0.000 3.387 -7.533) 8.259 13.080 ( 0.000 6.124 2.735) 6.707 13.227 ( 0.000 5.628 -2.293) 6.077 13.994 ( 0.000 1.530 0.984) 1.819 14.001 ( 0.000 -5.181 1.322) 5.347 14.178 ( 0.000 -5.523 1.161) 5.643 14.308 ( 0.000 -8.178 -3.397) 8.856 16.040 ( 0.000 4.309 -0.141) 4.311 16.101 ( 0.000 8.864 -6.735) 11.133 16.457 ( 0.000 -3.467 -1.730) 3.875 16.487 ( 0.000 2.202 -4.629) 5.126 17.669 ( 0.000 -7.178 4.824) 8.649 17.895 ( 0.000 -10.386 -3.415) 10.933 18.168 ( 0.000 -20.611 11.317) 23.514 18.217 ( 0.000 -11.970 2.252) 12.180 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 16.788 13.159 16.688) 27.083 1.063 ( 14.074 15.333 18.986) 28.172 1.716 ( 13.385 21.132 4.711) 25.454 1.803 ( 8.862 17.858 5.569) 20.699 1.878 ( 7.676 15.272 -12.529) 21.192 2.057 ( -6.841 6.540 8.916) 13.002 2.136 ( -10.922 15.490 1.298) 18.998 2.359 ( -6.198 14.884 -2.709) 16.349 2.486 ( -2.437 5.436 -0.802) 6.012 2.522 ( 6.848 2.178 10.082) 12.381 2.579 ( -1.668 10.796 1.168) 10.987 2.684 ( -0.436 9.893 -3.655) 10.555 2.722 ( -1.008 8.447 0.198) 8.509 2.763 ( 3.217 10.772 0.531) 11.255 2.821 ( -0.836 12.699 -0.366) 12.732 2.873 ( 4.857 8.546 -1.765) 9.987 2.984 ( 4.730 14.218 -1.382) 15.048 3.074 ( 1.968 10.113 -7.186) 12.561 3.108 ( 3.606 8.800 -10.071) 13.852 3.255 ( 0.470 14.929 1.419) 15.003 3.329 ( 1.968 7.011 -11.829) 13.891 3.392 ( -1.882 17.485 -2.153) 17.718 3.571 ( -6.853 2.871 6.805) 10.076 3.844 ( 2.495 3.726 -4.485) 6.342 4.033 ( -8.617 -0.351 12.612) 15.279 4.136 ( -9.268 -1.003 -7.012) 11.665 4.416 ( -0.889 -1.984 -13.481) 13.655 4.678 ( -9.091 -2.248 -10.045) 13.734 4.904 ( 1.959 -1.964 3.916) 4.799 4.949 ( 6.042 -1.543 16.319) 17.470 5.068 ( -1.112 -2.390 1.914) 3.258 5.328 ( 0.793 -4.165 -3.157) 5.286 5.529 ( -5.395 -2.428 3.537) 6.893 5.550 ( -5.816 -2.597 4.308) 7.689 5.859 ( 5.790 -4.469 0.817) 7.359 5.916 ( 5.316 -0.384 -2.838) 6.038 6.025 ( 4.696 -0.366 1.135) 4.845 6.263 ( 9.108 -2.997 -5.985) 11.303 6.687 ( -6.482 -7.218 9.317) 13.451 6.968 ( -2.190 -7.603 -2.975) 8.453 8.070 ( 0.841 15.120 -5.394) 16.076 8.157 ( -0.895 9.867 -2.467) 10.210 8.280 ( 2.977 -2.569 1.544) 4.224 8.326 ( -2.712 11.412 -1.600) 11.839 8.438 ( -1.356 -1.022 -0.259) 1.717 8.520 ( -0.636 7.399 -1.561) 7.589 8.573 ( -0.174 0.827 0.869) 1.212 8.698 ( 1.858 4.058 -3.580) 5.721 9.072 ( 5.171 16.426 5.327) 18.026 9.222 ( 4.173 14.498 -0.984) 15.119 9.544 ( -4.126 10.993 3.078) 12.138 9.648 ( -5.032 9.891 -0.597) 11.113 9.801 ( 16.292 -0.533 5.386) 17.168 10.052 ( 4.724 1.010 -3.686) 6.077 10.310 ( 1.300 -3.348 0.399) 3.614 10.464 ( -1.247 -0.669 -2.041) 2.484 10.512 ( -1.273 5.130 1.260) 5.433 10.631 ( -8.064 1.408 0.718) 8.217 11.060 ( 3.946 -7.239 2.268) 8.551 11.130 ( 0.368 -3.282 -0.654) 3.366 11.219 ( 7.909 -0.719 0.194) 7.944 11.346 ( 8.115 1.838 -7.813) 11.413 11.559 ( -0.304 6.870 0.322) 6.885 11.702 ( -3.832 7.796 -9.478) 12.857 12.389 ( -14.433 -4.468 11.046) 18.716 12.492 ( -6.483 -10.309 2.629) 12.459 12.570 ( -2.366 -15.951 -2.021) 16.252 12.731 ( -6.689 -2.464 1.147) 7.220 12.753 ( -1.240 -4.698 1.084) 4.978 12.863 ( -7.716 2.616 -4.055) 9.101 13.083 ( 1.415 8.410 0.146) 8.529 13.102 ( -2.555 10.638 0.642) 10.959 13.940 ( -2.567 -1.725 1.280) 3.348 13.984 ( -2.829 -1.965 1.150) 3.631 14.221 ( 3.281 -4.186 1.177) 5.447 14.326 ( 0.874 -6.490 -2.515) 7.015 16.068 ( 4.229 4.307 0.570) 6.063 16.185 ( 4.888 2.579 -5.357) 7.697 16.464 ( 2.213 -1.870 -1.130) 3.110 16.564 ( 3.634 -0.618 -4.411) 5.748 17.672 ( 0.480 -7.451 3.821) 8.387 17.872 ( -3.015 -10.808 -1.653) 11.342 18.062 ( -5.797 -12.229 8.604) 16.037 18.162 ( -4.858 -11.347 1.516) 12.436 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 19.407 11.987 12.950) 26.230 1.400 ( 19.339 8.821 13.641) 25.256 1.713 ( -13.626 6.345 8.841) 17.438 1.795 ( -17.936 11.664 8.347) 22.965 2.023 ( 8.059 11.221 -10.408) 17.297 2.067 ( 10.880 11.741 -12.500) 20.310 2.177 ( 1.980 16.434 -0.567) 16.563 2.240 ( 8.133 21.320 3.484) 23.083 2.333 ( -8.765 5.919 -7.450) 12.937 2.553 ( -3.514 8.692 0.431) 9.385 2.644 ( -2.577 10.414 3.015) 11.144 2.682 ( 1.193 10.296 2.723) 10.716 2.722 ( -0.818 14.223 1.159) 14.294 2.752 ( -0.945 14.990 0.672) 15.035 2.862 ( 7.452 3.566 9.818) 12.831 2.982 ( 3.391 7.651 4.897) 9.696 3.051 ( -0.599 14.862 1.015) 14.909 3.079 ( -0.336 14.976 0.712) 14.996 3.163 ( 1.456 4.471 -1.822) 5.042 3.246 ( -3.506 9.188 -1.153) 9.902 3.319 ( -0.843 14.427 -1.575) 14.537 3.347 ( -2.404 16.043 -1.575) 16.298 3.566 ( 7.868 2.296 -1.424) 8.319 3.811 ( -12.001 0.112 -5.684) 13.280 3.921 ( 5.922 1.350 -7.558) 9.696 4.086 ( 4.249 1.080 -8.575) 9.631 4.268 ( -9.508 -2.182 -11.124) 14.795 4.420 ( -14.249 -0.026 -12.530) 18.975 4.936 ( 6.675 -0.655 6.658) 9.450 5.080 ( -2.609 -2.652 1.117) 3.885 5.123 ( 5.510 -2.721 5.128) 8.004 5.220 ( -6.228 -3.788 0.994) 7.357 5.480 ( 0.628 -3.919 4.892) 6.299 5.500 ( -1.436 -3.706 7.186) 8.212 5.947 ( 2.987 -4.122 -0.298) 5.099 5.973 ( 0.551 -2.770 -1.381) 3.143 6.193 ( 9.663 -1.556 2.367) 10.070 6.349 ( -3.683 -2.414 -0.859) 4.486 6.657 ( 6.689 -6.249 3.899) 9.950 6.849 ( -9.283 -6.373 -2.663) 11.571 8.113 ( 2.601 20.192 -2.821) 20.554 8.142 ( -0.581 17.216 -0.047) 17.225 8.250 ( -2.101 -2.778 -2.346) 4.199 8.265 ( -2.787 1.510 -4.632) 5.612 8.465 ( 2.495 5.938 -0.799) 6.490 8.526 ( -2.760 5.746 -2.158) 6.729 8.597 ( 5.019 2.749 5.058) 7.637 8.685 ( -2.864 2.552 1.467) 4.107 9.218 ( 8.287 13.250 4.217) 16.187 9.317 ( 2.492 12.001 0.938) 12.292 9.447 ( -3.034 10.866 1.766) 11.419 9.523 ( -6.713 9.064 -0.331) 11.284 10.161 ( 13.387 -2.844 -0.901) 13.715 10.188 ( 9.521 0.843 -1.556) 9.684 10.309 ( -2.427 -1.045 0.083) 2.644 10.387 ( -5.209 -2.752 -2.628) 6.451 10.518 ( 0.938 4.835 1.594) 5.177 10.536 ( -1.975 4.895 0.279) 5.285 11.098 ( 1.633 -6.638 0.910) 6.896 11.121 ( -0.266 -5.181 1.008) 5.285 11.316 ( 1.919 2.475 5.900) 6.680 11.481 ( -12.359 3.623 1.170) 12.932 11.602 ( 13.119 0.438 -5.217) 14.125 11.672 ( 7.810 -0.431 -3.248) 8.469 12.100 ( -10.077 -1.658 6.089) 11.890 12.203 ( -18.095 0.182 2.513) 18.269 12.538 ( 0.264 -15.249 -3.418) 15.630 12.580 ( -4.011 -11.517 -4.344) 12.946 12.774 ( 1.349 -3.473 2.001) 4.229 12.801 ( -1.383 -1.193 1.059) 2.111 13.113 ( 1.757 10.165 -0.829) 10.349 13.122 ( 1.031 11.067 -1.164) 11.176 13.907 ( -0.521 -1.985 1.047) 2.303 13.926 ( -2.275 -1.912 1.056) 3.154 14.283 ( 2.708 -3.823 0.332) 4.697 14.324 ( -1.169 -4.594 -1.031) 4.851 16.180 ( 5.512 1.668 1.063) 5.856 16.242 ( 0.042 0.473 -0.986) 1.094 16.525 ( 3.352 -1.701 -1.367) 4.000 16.581 ( -1.633 -1.435 -2.196) 3.089 17.701 ( 2.624 -8.173 1.515) 8.717 17.779 ( -4.989 -9.393 0.835) 10.668 18.018 ( 0.564 -8.936 1.728) 9.119 18.064 ( -3.971 -9.742 0.578) 10.536 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.000 21.925 11.525) 24.769 1.323 ( 0.000 22.039 12.587) 25.380 1.857 ( 0.000 10.821 -12.365) 16.431 2.043 ( 0.000 11.162 -10.355) 15.225 2.357 ( 0.000 13.386 -0.801) 13.410 2.431 ( 0.000 24.676 16.689) 29.790 2.472 ( 0.000 21.122 10.417) 23.551 2.548 ( 0.000 4.088 -0.602) 4.132 2.652 ( 0.000 5.637 -5.681) 8.003 2.696 ( 0.000 19.327 1.190) 19.364 2.865 ( 0.000 12.110 0.162) 12.111 2.877 ( 0.000 5.339 -12.426) 13.524 2.949 ( 0.000 25.019 -1.754) 25.080 3.019 ( 0.000 17.741 8.894) 19.846 3.098 ( 0.000 20.910 -0.235) 20.911 3.188 ( 0.000 13.474 -2.291) 13.667 3.293 ( 0.000 22.460 1.060) 22.485 3.327 ( 0.000 26.086 -1.909) 26.156 3.443 ( 0.000 17.623 -6.288) 18.711 3.474 ( 0.000 12.419 -0.255) 12.422 3.582 ( 0.000 15.863 8.043) 17.786 3.850 ( 0.000 13.820 4.088) 14.412 3.872 ( 0.000 27.346 -3.585) 27.580 3.908 ( 0.000 13.399 -13.381) 18.937 4.198 ( 0.000 5.079 17.460) 18.184 4.226 ( 0.000 2.358 -9.424) 9.715 4.423 ( 0.000 0.002 -13.648) 13.648 4.739 ( 0.000 0.266 4.270) 4.278 4.741 ( 0.000 0.428 -0.674) 0.798 4.946 ( 0.000 -1.314 11.243) 11.320 5.082 ( 0.000 -6.615 8.487) 10.761 5.154 ( 0.000 -3.757 -12.047) 12.619 5.501 ( 0.000 -2.898 4.286) 5.173 5.670 ( 0.000 -2.264 -2.484) 3.361 5.699 ( 0.000 -3.486 5.432) 6.454 5.862 ( 0.000 1.008 -4.639) 4.747 6.000 ( 0.000 0.523 -0.346) 0.627 6.045 ( 0.000 -3.517 -0.079) 3.518 6.655 ( 0.000 -4.979 2.172) 5.432 6.774 ( 0.000 -10.661 -2.184) 10.882 8.109 ( 0.000 -4.618 3.970) 6.089 8.222 ( 0.000 -2.062 -1.266) 2.419 8.242 ( 0.000 2.096 -6.200) 6.545 8.424 ( 0.000 -2.201 -5.964) 6.357 8.518 ( 0.000 -2.839 0.384) 2.865 8.539 ( 0.000 1.998 -1.140) 2.301 8.765 ( 0.000 19.693 2.272) 19.824 8.882 ( 0.000 13.709 -2.852) 14.002 9.445 ( 0.000 20.726 2.812) 20.916 9.565 ( 0.000 19.096 -1.999) 19.200 9.648 ( 0.000 5.590 11.546) 12.828 9.878 ( 0.000 15.852 1.663) 15.939 9.915 ( 0.000 7.139 0.368) 7.148 10.068 ( 0.000 4.508 -2.605) 5.207 10.260 ( 0.000 1.911 0.107) 1.914 10.452 ( 0.000 -2.077 -7.008) 7.309 10.579 ( 0.000 0.110 4.732) 4.733 10.745 ( 0.000 -8.163 -2.014) 8.408 10.931 ( 0.000 11.410 4.139) 12.138 11.028 ( 0.000 -2.430 2.792) 3.701 11.198 ( 0.000 1.181 -2.954) 3.181 11.273 ( 0.000 3.676 -7.511) 8.362 11.777 ( 0.000 8.411 -0.039) 8.411 11.887 ( 0.000 4.273 -8.766) 9.752 12.277 ( 0.000 -10.153 1.199) 10.224 12.283 ( 0.000 -10.342 -2.727) 10.696 12.531 ( 0.000 -1.133 6.498) 6.596 12.620 ( 0.000 -4.687 7.637) 8.961 12.817 ( 0.000 0.277 2.027) 2.046 13.013 ( 0.000 0.547 -11.296) 11.309 13.212 ( 0.000 6.750 2.200) 7.100 13.334 ( 0.000 4.273 0.694) 4.329 13.827 ( 0.000 -11.988 3.531) 12.497 13.992 ( 0.000 -2.731 -1.763) 3.251 14.028 ( 0.000 -9.405 -0.326) 9.410 14.087 ( 0.000 -13.277 -3.311) 13.684 16.098 ( 0.000 0.504 0.083) 0.511 16.172 ( 0.000 -0.070 -4.025) 4.025 16.375 ( 0.000 -4.292 0.879) 4.381 16.514 ( 0.000 -0.057 -5.996) 5.996 17.470 ( 0.000 -12.541 3.566) 13.038 17.612 ( 0.000 -17.103 0.377) 17.107 17.791 ( 0.000 -18.385 6.690) 19.564 17.899 ( 0.000 -19.217 0.926) 19.239 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 10.719 19.015 10.823) 24.364 1.420 ( 8.714 19.534 12.698) 24.875 1.904 ( 3.827 9.245 -11.274) 15.074 2.098 ( 3.247 10.350 -5.439) 12.134 2.294 ( -4.083 13.869 -6.950) 16.041 2.432 ( -12.222 11.091 1.724) 16.594 2.519 ( -0.081 11.896 -1.378) 11.976 2.528 ( 4.109 5.070 7.835) 10.196 2.619 ( 11.405 33.059 13.601) 37.523 2.752 ( -2.852 11.993 -6.197) 13.797 2.844 ( 1.914 13.534 -2.930) 13.979 2.896 ( 1.390 14.746 2.791) 15.072 2.937 ( 0.136 18.389 -0.655) 18.401 3.075 ( 0.099 16.007 -0.318) 16.011 3.128 ( 5.769 16.329 2.812) 17.545 3.221 ( -4.031 23.745 0.185) 24.086 3.251 ( 4.286 14.095 -3.983) 15.261 3.362 ( 3.024 19.863 1.959) 20.188 3.437 ( -0.776 16.259 -2.720) 16.503 3.499 ( 0.397 14.734 -0.874) 14.765 3.589 ( 1.500 16.168 6.923) 17.652 3.787 ( -1.979 19.954 -2.364) 20.191 3.845 ( -2.879 26.169 -2.735) 26.469 4.006 ( 5.707 12.933 -12.836) 19.095 4.070 ( -9.905 7.269 14.408) 18.936 4.126 ( -8.511 0.529 -6.351) 10.633 4.407 ( -3.461 1.355 -13.131) 13.647 4.644 ( -7.247 -0.406 -9.084) 11.628 4.863 ( 3.719 -1.648 4.442) 6.023 4.944 ( 3.187 0.521 14.705) 15.055 5.004 ( 0.082 -3.870 1.946) 4.332 5.236 ( 0.245 -4.597 -2.810) 5.393 5.456 ( -3.223 -4.716 3.468) 6.683 5.500 ( -9.116 -2.206 1.845) 9.559 5.765 ( 3.438 -4.970 2.158) 6.417 5.904 ( 2.004 -0.918 -3.163) 3.856 6.030 ( 5.516 1.138 1.748) 5.898 6.205 ( 10.530 -2.615 -4.274) 11.661 6.557 ( -6.584 -5.637 5.396) 10.210 6.795 ( -0.662 -9.167 -4.094) 10.061 8.150 ( 2.031 -3.328 1.851) 4.316 8.195 ( -1.651 -3.307 -0.629) 3.750 8.292 ( 3.940 1.128 -4.359) 5.983 8.368 ( -1.306 -3.374 -2.785) 4.566 8.567 ( 4.897 0.941 -0.195) 4.990 8.609 ( 2.743 7.307 -3.390) 8.510 8.764 ( -0.243 16.953 2.138) 17.089 8.878 ( -1.210 11.999 -2.139) 12.248 9.474 ( 2.393 21.228 3.344) 21.622 9.572 ( 1.904 18.138 -0.704) 18.251 9.731 ( 4.296 5.107 5.811) 8.849 9.838 ( -4.481 7.264 0.694) 8.563 9.910 ( 5.375 13.789 4.116) 15.361 10.133 ( 4.442 7.974 -2.115) 9.369 10.281 ( 1.849 0.597 0.384) 1.980 10.434 ( -2.389 -2.406 -3.737) 5.046 10.581 ( -1.329 1.193 1.005) 2.049 10.639 ( -2.940 -1.392 -1.014) 3.408 10.983 ( 0.191 -0.094 3.845) 3.851 11.120 ( -0.483 3.254 -0.733) 3.371 11.194 ( 9.396 0.111 0.991) 9.448 11.363 ( 8.504 1.373 -5.977) 10.485 11.697 ( -6.313 6.007 0.070) 8.715 11.800 ( -9.451 2.029 -7.249) 12.083 12.209 ( -6.354 -8.532 4.056) 11.385 12.287 ( -0.279 -9.203 -3.490) 9.847 12.443 ( -7.670 -0.151 2.613) 8.105 12.652 ( 2.540 -3.547 7.219) 8.435 12.716 ( -10.442 -0.150 0.422) 10.451 12.910 ( -9.004 1.976 -5.844) 10.915 13.241 ( 2.765 7.005 0.055) 7.531 13.285 ( -0.636 7.090 0.548) 7.139 13.813 ( -1.002 -10.780 2.014) 11.012 13.905 ( -4.681 -6.611 -0.635) 8.126 14.097 ( 3.238 -8.338 -0.713) 8.973 14.135 ( 2.849 -12.249 -2.100) 12.750 16.125 ( 2.911 0.693 0.073) 2.994 16.202 ( 2.427 -0.828 -3.454) 4.302 16.403 ( 2.768 -3.796 1.261) 4.864 16.543 ( 1.538 -1.766 -4.055) 4.683 17.466 ( -0.193 -12.974 2.857) 13.286 17.591 ( -2.230 -16.610 0.783) 16.777 17.776 ( -0.842 -16.485 3.994) 16.983 17.862 ( -3.209 -18.243 0.617) 18.533 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 18.945 12.952 8.023) 24.311 1.639 ( 12.853 14.833 11.522) 22.759 1.871 ( -9.048 10.080 5.872) 14.763 2.031 ( -18.156 10.935 3.777) 21.529 2.199 ( 6.671 9.049 -10.002) 15.048 2.373 ( -3.349 10.290 -12.970) 16.892 2.418 ( 2.101 11.769 -10.877) 16.162 2.593 ( -9.221 14.745 -12.068) 21.168 2.712 ( 10.682 12.943 9.788) 19.427 2.864 ( 0.001 21.060 3.833) 21.406 2.888 ( 0.846 18.551 6.009) 19.518 2.931 ( 1.926 17.150 5.877) 18.231 2.966 ( 6.726 11.959 5.673) 14.847 3.063 ( -0.713 17.212 -1.107) 17.262 3.163 ( -0.049 23.191 5.296) 23.788 3.221 ( 1.488 17.314 4.554) 17.964 3.329 ( 3.908 12.732 -0.530) 13.329 3.414 ( -1.424 14.883 0.035) 14.951 3.442 ( -1.303 18.395 -1.707) 18.520 3.466 ( 0.545 16.453 0.795) 16.481 3.648 ( 3.581 17.172 3.843) 17.957 3.734 ( -4.364 18.173 -2.016) 18.798 3.814 ( 0.391 25.390 -1.997) 25.471 3.875 ( -7.029 10.154 -0.298) 12.353 3.988 ( 1.993 6.664 -1.593) 7.136 4.163 ( -0.318 8.008 -11.457) 13.982 4.243 ( -2.948 1.150 -10.874) 11.325 4.445 ( -11.839 3.756 -14.458) 19.060 4.925 ( 5.639 -0.181 5.602) 7.950 5.040 ( -1.213 -0.687 5.194) 5.378 5.061 ( 4.857 -3.649 1.394) 6.233 5.142 ( -5.188 -3.704 0.305) 6.382 5.385 ( -1.259 -5.188 5.684) 7.798 5.412 ( -2.635 -4.735 8.020) 9.679 5.846 ( 4.108 -5.666 -1.173) 7.096 5.906 ( -1.610 -3.823 -2.526) 4.857 6.182 ( 8.185 0.499 3.037) 8.745 6.319 ( -3.407 -0.350 0.256) 3.434 6.527 ( 7.423 -6.814 0.698) 10.101 6.708 ( -7.768 -7.556 -4.365) 11.682 8.155 ( -0.276 -4.250 -0.516) 4.290 8.164 ( -1.239 -4.529 -0.679) 4.744 8.367 ( 3.995 1.942 -1.962) 4.856 8.408 ( 1.192 0.215 -2.305) 2.604 8.640 ( 1.788 7.146 -1.099) 7.448 8.648 ( 1.584 9.302 -2.170) 9.682 8.763 ( 0.765 13.369 1.273) 13.452 8.817 ( -4.108 9.711 -0.041) 10.544 9.555 ( 5.496 18.482 3.398) 19.579 9.621 ( 1.530 16.851 0.837) 16.941 9.718 ( -2.721 14.763 2.949) 15.299 9.752 ( -4.221 12.796 1.706) 13.582 10.129 ( 11.224 1.051 0.043) 11.273 10.230 ( 3.565 3.683 -0.789) 5.187 10.311 ( 0.095 1.298 0.592) 1.430 10.349 ( -3.348 -0.453 -4.102) 5.315 10.585 ( 2.210 2.362 1.216) 3.455 10.629 ( -0.504 3.262 1.508) 3.629 11.000 ( 2.485 -2.783 0.723) 3.800 11.061 ( -2.717 -0.943 0.095) 2.877 11.370 ( 3.006 4.107 3.817) 6.362 11.519 ( -12.377 -0.880 -0.610) 12.424 11.586 ( 8.917 -0.635 -2.063) 9.174 11.651 ( 3.573 -1.742 -2.205) 4.545 12.058 ( -4.156 -1.432 4.668) 6.412 12.216 ( -13.987 0.489 -1.029) 14.034 12.320 ( 2.373 -4.425 -5.296) 7.297 12.441 ( -10.695 -2.054 -6.368) 12.615 12.718 ( 3.444 -1.515 6.566) 7.567 12.789 ( -3.839 0.193 4.054) 5.586 13.293 ( 2.758 8.158 -1.648) 8.768 13.318 ( 0.945 8.358 -2.001) 8.646 13.800 ( 0.017 -9.393 1.095) 9.457 13.827 ( -2.782 -8.356 0.735) 8.837 14.146 ( 1.699 -10.210 -0.838) 10.384 14.164 ( 0.071 -11.440 -1.306) 11.515 16.200 ( 3.678 -0.171 0.122) 3.684 16.238 ( 0.344 -1.113 -1.263) 1.718 16.472 ( 3.741 -3.436 0.781) 5.139 16.538 ( -2.200 -2.953 -0.928) 3.798 17.477 ( 1.596 -13.949 0.880) 14.067 17.530 ( -3.359 -15.164 0.327) 15.535 17.772 ( 0.535 -15.377 1.119) 15.427 17.800 ( -2.358 -16.330 0.440) 16.505 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.000 19.855 6.299) 20.830 1.736 ( 0.000 19.156 4.271) 19.627 2.098 ( 0.000 13.251 -4.486) 13.989 2.280 ( 0.000 12.905 -7.980) 15.173 2.495 ( 0.000 1.979 8.396) 8.626 2.566 ( 0.000 5.918 -1.804) 6.187 2.593 ( 0.000 3.960 -1.907) 4.395 2.690 ( 0.000 5.358 -5.932) 7.993 2.926 ( 0.000 7.411 -9.005) 11.663 2.927 ( 0.000 1.710 -14.400) 14.501 3.199 ( 0.000 10.650 7.952) 13.292 3.302 ( 0.000 11.901 7.518) 14.077 3.360 ( 0.000 20.060 10.137) 22.476 3.395 ( 0.000 31.471 2.861) 31.601 3.525 ( 0.000 26.381 4.270) 26.725 3.539 ( 0.000 22.256 -0.097) 22.256 3.669 ( 0.000 14.394 8.162) 16.547 3.700 ( 0.000 11.517 0.731) 11.540 3.810 ( 0.000 20.089 0.874) 20.108 3.884 ( 0.000 21.959 -0.570) 21.966 3.907 ( 0.000 19.209 5.721) 20.042 4.152 ( 0.000 17.946 6.721) 19.163 4.258 ( 0.000 9.477 -6.133) 11.288 4.314 ( 0.000 20.406 -17.115) 26.633 4.400 ( 0.000 0.181 -10.802) 10.803 4.464 ( 0.000 27.483 -5.055) 27.944 4.499 ( 0.000 20.658 0.205) 20.659 4.768 ( 0.000 3.802 -1.701) 4.165 4.819 ( 0.000 9.116 4.256) 10.061 4.938 ( 0.000 0.675 6.499) 6.534 4.947 ( 0.000 -6.611 7.115) 9.712 5.092 ( 0.000 -2.127 -10.501) 10.714 5.464 ( 0.000 0.152 3.848) 3.851 5.614 ( 0.000 -2.686 -2.158) 3.445 5.639 ( 0.000 -1.774 7.998) 8.193 5.875 ( 0.000 -0.014 -3.780) 3.780 6.018 ( 0.000 1.042 0.913) 1.386 6.022 ( 0.000 1.596 -0.100) 1.599 6.580 ( 0.000 -8.268 -0.470) 8.282 6.589 ( 0.000 -1.619 -1.005) 1.906 8.024 ( 0.000 -3.667 2.175) 4.263 8.137 ( 0.000 -5.281 4.559) 6.977 8.200 ( 0.000 -3.911 -5.908) 7.085 8.383 ( 0.000 -3.299 -2.591) 4.195 8.520 ( 0.000 2.911 -0.592) 2.971 8.585 ( 0.000 2.749 -2.349) 3.616 9.067 ( 0.000 9.853 0.669) 9.875 9.104 ( 0.000 7.913 -0.742) 7.948 9.703 ( 0.000 7.183 6.257) 9.526 9.805 ( 0.000 5.140 -0.153) 5.143 9.832 ( 0.000 3.726 6.789) 7.744 9.972 ( 0.000 4.083 1.875) 4.493 10.136 ( 0.000 8.294 -3.783) 9.116 10.266 ( 0.000 13.216 -5.750) 14.413 10.323 ( 0.000 2.783 2.344) 3.639 10.416 ( 0.000 0.372 -0.830) 0.909 10.565 ( 0.000 -9.165 -3.965) 9.986 10.607 ( 0.000 4.811 -2.008) 5.213 11.069 ( 0.000 7.599 3.920) 8.551 11.226 ( 0.000 16.075 0.626) 16.087 11.303 ( 0.000 10.284 -1.287) 10.364 11.393 ( 0.000 7.560 0.835) 7.606 11.897 ( 0.000 3.650 -0.206) 3.656 11.910 ( 0.000 -1.424 -3.580) 3.853 12.164 ( 0.000 -1.234 0.516) 1.337 12.206 ( 0.000 1.385 -5.645) 5.813 12.482 ( 0.000 -4.165 3.904) 5.708 12.593 ( 0.000 3.385 11.019) 11.527 12.803 ( 0.000 -1.702 4.573) 4.880 12.962 ( 0.000 -7.154 -13.044) 14.877 13.327 ( 0.000 4.079 -0.457) 4.105 13.335 ( 0.000 -5.312 2.202) 5.750 13.590 ( 0.000 -10.250 7.578) 12.747 13.822 ( 0.000 -11.623 -4.657) 12.521 13.825 ( 0.000 -9.878 -3.687) 10.544 13.873 ( 0.000 -9.712 -2.703) 10.081 16.053 ( 0.000 -4.440 -0.556) 4.475 16.146 ( 0.000 -1.964 -4.605) 5.007 16.302 ( 0.000 -2.996 4.296) 5.238 16.489 ( 0.000 -2.071 -3.075) 3.707 17.195 ( 0.000 -14.667 2.298) 14.845 17.258 ( 0.000 -18.066 1.585) 18.135 17.414 ( 0.000 -19.707 2.360) 19.848 17.495 ( 0.000 -20.815 -0.205) 20.816 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 6.467 18.733 6.287) 20.791 1.795 ( 5.523 17.680 5.017) 19.190 2.115 ( 1.550 11.792 -5.007) 12.905 2.322 ( 2.784 11.883 -5.897) 13.554 2.500 ( -7.464 7.938 -6.437) 12.655 2.566 ( 4.973 1.691 4.493) 6.912 2.579 ( -2.542 3.975 1.249) 4.881 2.637 ( -0.512 7.828 -2.688) 8.292 2.894 ( -0.805 4.202 -8.352) 9.384 2.982 ( 1.427 5.358 -7.240) 9.119 3.205 ( 2.642 6.261 3.669) 7.723 3.314 ( -0.295 12.081 3.073) 12.470 3.348 ( -1.424 16.734 9.864) 19.477 3.428 ( 0.374 23.830 2.075) 23.923 3.483 ( 0.562 28.849 3.675) 29.087 3.579 ( 2.573 19.696 1.302) 19.906 3.671 ( -2.391 21.274 1.736) 21.478 3.684 ( 1.574 15.271 4.164) 15.907 3.763 ( -0.704 11.935 5.922) 13.342 3.857 ( -2.353 23.521 -2.243) 23.744 4.020 ( 6.376 23.096 3.339) 24.192 4.149 ( -3.470 15.412 0.859) 15.822 4.156 ( -5.539 7.891 3.333) 10.201 4.303 ( -5.649 11.362 -9.543) 15.876 4.352 ( 4.215 22.786 -15.297) 27.766 4.460 ( -3.593 25.805 0.894) 26.069 4.511 ( -1.444 14.052 -7.042) 15.784 4.716 ( -3.605 8.918 -4.972) 10.829 4.870 ( 2.974 3.868 2.703) 5.578 4.905 ( 0.666 -3.897 3.316) 5.160 4.994 ( 5.563 3.550 6.832) 9.499 5.168 ( 1.397 -1.739 -3.171) 3.877 5.368 ( -6.047 -2.996 2.710) 7.273 5.482 ( -8.371 1.327 -0.690) 8.503 5.673 ( 1.747 -3.703 5.436) 6.806 5.878 ( -0.934 -1.638 -2.896) 3.456 6.074 ( 6.004 3.192 1.369) 6.936 6.160 ( 10.301 -2.002 -1.583) 10.612 6.472 ( -6.089 -2.865 2.529) 7.189 6.633 ( -0.254 -6.461 -3.459) 7.333 8.070 ( 2.957 -4.163 2.210) 5.564 8.106 ( -2.075 -4.440 3.782) 6.190 8.239 ( 2.428 -4.151 -4.119) 6.331 8.332 ( -0.295 -1.748 -3.027) 3.508 8.587 ( 5.195 1.226 0.901) 5.413 8.699 ( 7.684 3.408 -3.407) 9.070 9.042 ( -2.667 9.239 -0.323) 9.621 9.069 ( -3.526 6.601 -0.746) 7.521 9.765 ( 0.169 1.122 3.659) 3.831 9.791 ( 5.853 8.992 2.117) 10.936 9.852 ( 2.579 6.813 3.035) 7.892 9.993 ( 2.987 8.206 3.433) 9.383 10.196 ( 1.332 12.184 -1.437) 12.341 10.293 ( 2.992 5.957 1.767) 6.896 10.343 ( 1.723 -1.751 -6.273) 6.737 10.382 ( -2.510 4.554 3.913) 6.508 10.566 ( 1.984 -1.622 -4.043) 4.787 10.632 ( 2.025 4.203 -4.230) 6.298 11.035 ( -3.131 5.547 3.108) 7.087 11.191 ( -7.125 4.033 -1.581) 8.338 11.360 ( 9.987 14.642 1.948) 17.830 11.435 ( 3.080 5.685 0.984) 6.540 11.773 ( -10.412 1.586 -0.507) 10.544 11.804 ( -10.336 -0.821 -2.871) 10.759 12.112 ( -3.908 -1.293 2.089) 4.616 12.226 ( 1.515 2.301 -6.676) 7.222 12.441 ( -3.692 -0.516 2.012) 4.236 12.648 ( 3.658 3.984 10.582) 11.884 12.721 ( -7.530 0.222 -0.229) 7.537 12.930 ( -6.322 -0.638 -5.934) 8.694 13.301 ( 2.711 -3.520 2.726) 5.213 13.347 ( 1.567 -2.237 -0.210) 2.739 13.588 ( -0.807 -8.775 2.976) 9.301 13.742 ( -5.810 -8.187 -3.142) 10.519 13.857 ( 2.097 -13.774 -2.745) 14.201 13.904 ( 0.985 -11.943 -2.510) 12.244 16.087 ( 3.157 -4.151 -0.853) 5.285 16.168 ( 1.834 -2.298 -4.401) 5.292 16.331 ( 2.770 -3.218 4.361) 6.087 16.496 ( 0.213 -2.662 -1.512) 3.068 17.181 ( -1.020 -15.227 1.959) 15.387 17.247 ( -1.341 -17.667 1.154) 17.755 17.422 ( 0.693 -18.844 1.331) 18.903 17.475 ( -1.606 -20.026 -0.171) 20.091 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 13.073 13.661 5.507) 19.694 1.934 ( 7.641 14.366 5.487) 17.172 2.095 ( -4.476 11.862 1.406) 12.757 2.232 ( -16.234 9.211 2.224) 18.797 2.392 ( 5.747 10.975 -7.351) 14.405 2.532 ( -6.585 7.975 -9.425) 13.992 2.629 ( 7.706 8.379 -9.865) 15.063 2.765 ( 3.467 4.406 -3.516) 6.618 2.837 ( -0.000 5.535 3.339) 6.464 2.977 ( -4.463 1.307 5.875) 7.493 3.240 ( 1.153 8.681 2.455) 9.095 3.288 ( -3.342 11.623 3.931) 12.717 3.383 ( 6.406 15.542 0.516) 16.819 3.420 ( 2.036 15.324 1.793) 15.562 3.506 ( -1.086 19.285 0.394) 19.320 3.608 ( -4.800 6.646 -1.557) 8.345 3.668 ( 3.177 24.888 5.458) 25.677 3.723 ( 2.566 22.692 3.929) 23.172 3.774 ( 1.130 16.549 -2.608) 16.791 3.802 ( -2.410 19.090 -2.597) 19.416 4.024 ( 0.349 12.904 2.628) 13.174 4.113 ( 2.108 26.074 7.019) 27.085 4.139 ( -5.300 11.213 -1.437) 12.485 4.199 ( -1.072 14.011 0.270) 14.055 4.364 ( -3.356 27.599 -0.649) 27.809 4.403 ( -5.217 20.769 -4.109) 21.805 4.487 ( 6.436 19.536 -11.279) 23.459 4.622 ( -5.979 14.023 -9.086) 17.747 4.954 ( 5.499 3.385 1.268) 6.581 4.990 ( 6.433 -1.878 -0.144) 6.703 5.079 ( -3.105 5.257 1.603) 6.313 5.088 ( -3.690 -0.979 0.629) 3.869 5.294 ( -0.769 -2.948 5.205) 6.031 5.351 ( -4.553 0.201 4.061) 6.104 5.738 ( 4.579 -4.740 0.473) 6.607 5.829 ( -3.795 -3.764 -2.050) 5.725 6.210 ( 6.919 2.167 2.714) 7.742 6.335 ( -3.395 1.859 1.803) 4.270 6.392 ( 7.708 -6.631 -1.266) 10.247 6.563 ( -6.587 -6.603 -4.098) 10.187 8.076 ( -0.681 -3.715 2.142) 4.342 8.081 ( -0.946 -3.296 1.713) 3.833 8.316 ( 5.142 -4.231 -0.525) 6.680 8.372 ( 0.766 -3.108 -2.179) 3.872 8.690 ( 5.428 0.656 0.195) 5.471 8.791 ( -1.419 4.283 -4.075) 6.080 8.970 ( -1.077 5.594 -0.072) 5.698 9.007 ( -2.688 8.593 -1.691) 9.161 9.814 ( 4.551 5.603 4.062) 8.282 9.882 ( -0.392 8.053 1.380) 8.180 9.938 ( 6.498 8.097 1.209) 10.452 10.029 ( -1.352 12.827 1.784) 13.021 10.221 ( 0.285 6.439 0.940) 6.514 10.256 ( -4.770 -2.284 0.845) 5.356 10.373 ( 6.795 4.468 3.044) 8.684 10.438 ( 1.516 9.648 -3.059) 10.234 10.646 ( 4.299 4.648 -2.434) 6.783 10.677 ( 1.970 3.832 -2.707) 5.089 10.981 ( -0.573 0.231 0.254) 0.668 11.052 ( -6.189 -0.580 -1.030) 6.301 11.438 ( -3.488 -3.639 1.668) 5.310 11.488 ( -5.617 3.315 0.454) 6.538 11.613 ( 2.049 3.148 0.564) 3.798 11.660 ( -0.177 4.958 0.151) 4.963 12.077 ( 3.562 3.421 2.584) 5.574 12.239 ( -4.439 3.521 -4.195) 7.050 12.351 ( -1.480 4.724 -4.283) 6.546 12.475 ( -12.222 4.462 -6.166) 14.398 12.735 ( 3.962 3.585 9.199) 10.638 12.812 ( -4.138 2.289 6.428) 7.980 13.404 ( 5.041 -0.596 -1.602) 5.323 13.425 ( 4.689 1.141 -2.002) 5.225 13.555 ( -1.591 -13.328 1.298) 13.485 13.616 ( -6.256 -10.734 -0.435) 12.432 13.887 ( 0.967 -14.706 -2.267) 14.911 13.904 ( -0.712 -14.026 -2.193) 14.214 16.159 ( 3.296 -3.913 -1.513) 5.335 16.194 ( 0.075 -3.312 -2.985) 4.460 16.403 ( 4.016 -3.238 3.526) 6.249 16.475 ( -2.584 -3.102 1.428) 4.282 17.173 ( 0.620 -16.120 0.507) 16.140 17.206 ( -2.311 -16.945 0.150) 17.103 17.436 ( 0.581 -17.981 0.366) 17.994 17.448 ( -0.882 -18.513 0.084) 18.534 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 0.000 15.638 2.463) 15.831 2.070 ( 0.000 14.744 -2.124) 14.897 2.357 ( 0.000 12.094 1.672) 12.209 2.515 ( 0.000 7.827 -5.263) 9.432 2.535 ( 0.000 2.503 7.203) 7.626 2.635 ( 0.000 6.915 -0.773) 6.958 2.705 ( 0.000 4.298 -2.215) 4.835 2.820 ( 0.000 7.201 -6.845) 9.935 2.975 ( 0.000 3.878 -10.229) 10.939 3.085 ( 0.000 8.889 -10.283) 13.592 3.276 ( 0.000 0.584 9.342) 9.360 3.346 ( 0.000 -0.616 7.430) 7.455 3.702 ( 0.000 11.120 12.609) 16.812 3.729 ( 0.000 4.278 1.410) 4.504 3.806 ( 0.000 3.090 9.806) 10.281 3.845 ( 0.000 7.466 -6.173) 9.687 3.926 ( 0.000 10.522 4.462) 11.429 4.109 ( 0.000 16.946 -1.513) 17.013 4.150 ( 0.000 13.224 3.210) 13.608 4.231 ( 0.000 12.763 -3.430) 13.216 4.362 ( 0.000 14.856 0.193) 14.857 4.364 ( 0.000 4.391 -3.366) 5.533 4.431 ( 0.000 15.590 -5.319) 16.472 4.548 ( 0.000 20.753 6.001) 21.603 4.747 ( 0.000 18.063 -7.755) 19.657 4.853 ( 0.000 4.666 6.930) 8.355 4.881 ( 0.000 15.767 -4.877) 16.505 4.953 ( 0.000 -0.049 -0.442) 0.445 4.970 ( 0.000 19.790 -2.855) 19.995 5.006 ( 0.000 9.302 -8.060) 12.308 5.075 ( 0.000 14.400 1.631) 14.492 5.141 ( 0.000 17.041 -1.393) 17.098 5.544 ( 0.000 8.172 4.706) 9.430 5.614 ( 0.000 4.107 -0.077) 4.108 5.700 ( 0.000 10.125 4.583) 11.114 5.872 ( 0.000 0.700 -3.316) 3.389 6.059 ( 0.000 2.260 0.002) 2.260 6.083 ( 0.000 5.469 0.093) 5.470 6.467 ( 0.000 -3.105 2.654) 4.085 6.586 ( 0.000 0.971 -1.864) 2.102 7.973 ( 0.000 -1.137 1.861) 2.181 8.049 ( 0.000 -3.144 6.387) 7.119 8.144 ( 0.000 -1.148 -5.505) 5.623 8.310 ( 0.000 -3.562 -1.203) 3.760 8.588 ( 0.000 3.588 -0.385) 3.609 8.647 ( 0.000 3.576 -1.848) 4.025 9.176 ( 0.000 2.062 0.730) 2.188 9.190 ( 0.000 1.077 0.084) 1.080 9.722 ( 0.000 -4.517 4.463) 6.350 9.834 ( 0.000 2.150 8.358) 8.630 9.869 ( 0.000 3.433 -2.470) 4.229 10.045 ( 0.000 -0.472 0.208) 0.516 10.203 ( 0.000 -5.689 -4.926) 7.526 10.306 ( 0.000 -7.336 -2.765) 7.840 10.371 ( 0.000 2.608 0.068) 2.609 10.374 ( 0.000 6.100 -3.213) 6.895 10.690 ( 0.000 12.559 -6.093) 13.959 10.789 ( 0.000 12.380 -3.528) 12.873 11.254 ( 0.000 8.413 3.192) 8.999 11.447 ( 0.000 7.678 -3.999) 8.657 11.536 ( 0.000 6.109 12.163) 13.611 11.600 ( 0.000 14.922 3.154) 15.251 11.860 ( 0.000 -2.842 1.785) 3.357 11.941 ( 0.000 1.897 1.767) 2.593 12.205 ( 0.000 3.946 -0.663) 4.001 12.251 ( 0.000 0.992 -4.493) 4.601 12.365 ( 0.000 -6.659 -0.490) 6.677 12.693 ( 0.000 -17.529 -12.380) 21.460 12.757 ( 0.000 -2.523 7.190) 7.620 12.770 ( 0.000 11.629 6.871) 13.507 13.165 ( 0.000 -11.136 6.009) 12.654 13.339 ( 0.000 -2.742 -2.515) 3.721 13.419 ( 0.000 -6.071 4.979) 7.852 13.596 ( 0.000 -14.918 -3.564) 15.338 13.677 ( 0.000 -5.836 -5.905) 8.302 13.715 ( 0.000 -1.883 -5.174) 5.506 15.954 ( 0.000 -4.823 -0.441) 4.843 16.107 ( 0.000 -1.727 -7.262) 7.465 16.254 ( 0.000 -1.907 6.369) 6.649 16.449 ( 0.000 -1.610 0.204) 1.623 16.913 ( 0.000 -13.491 1.977) 13.635 16.917 ( 0.000 -16.143 3.183) 16.453 17.030 ( 0.000 -18.455 -0.232) 18.456 17.110 ( 0.000 -17.398 -1.826) 17.493 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 4.529 15.191 2.518) 16.051 2.104 ( 3.353 13.635 -1.583) 14.131 2.349 ( -0.510 11.091 0.161) 11.104 2.515 ( -1.050 5.923 -2.160) 6.391 2.586 ( 1.867 1.559 2.242) 3.308 2.661 ( 1.136 8.867 0.763) 8.972 2.677 ( -0.108 5.868 -3.770) 6.976 2.803 ( 1.132 8.643 -2.717) 9.130 2.976 ( -0.340 4.875 -8.216) 9.559 3.093 ( -0.943 6.354 -7.907) 10.187 3.253 ( -0.136 0.513 5.843) 5.867 3.364 ( 0.740 0.148 6.368) 6.413 3.603 ( -4.569 4.629 9.924) 11.866 3.690 ( -5.933 6.842 -3.682) 9.776 3.802 ( 1.940 6.139 6.774) 9.346 3.831 ( -3.763 3.980 -1.446) 5.665 3.970 ( -0.852 11.013 1.484) 11.145 4.057 ( 1.447 14.762 6.722) 16.285 4.151 ( -1.362 16.484 0.230) 16.542 4.262 ( -1.023 12.497 0.580) 12.552 4.317 ( -4.173 6.936 -5.844) 9.984 4.380 ( 4.978 12.108 -2.750) 13.377 4.436 ( 0.410 19.555 -2.085) 19.670 4.605 ( 3.876 23.698 6.105) 24.777 4.695 ( -3.212 8.775 -1.236) 9.426 4.843 ( -2.529 12.495 -1.513) 12.838 4.875 ( 4.211 14.115 -2.673) 14.971 4.929 ( -2.846 4.257 -0.730) 5.172 4.985 ( -1.320 20.853 -1.727) 20.966 5.039 ( 2.574 12.861 -1.989) 13.266 5.123 ( 5.530 4.764 -3.902) 8.277 5.229 ( 5.257 14.235 -1.419) 15.241 5.426 ( -6.927 10.705 1.984) 12.904 5.598 ( -4.410 10.631 -2.729) 11.829 5.679 ( -0.258 7.040 7.065) 9.977 5.860 ( -1.963 1.053 -1.596) 2.740 6.129 ( 6.604 -0.685 0.297) 6.646 6.151 ( 5.460 4.596 -0.301) 7.144 6.435 ( -2.802 -1.118 3.023) 4.271 6.564 ( -2.514 -0.648 -1.965) 3.256 8.003 ( 1.957 -2.070 2.683) 3.913 8.040 ( -0.512 -2.272 4.561) 5.121 8.180 ( 2.712 -1.370 -3.847) 4.902 8.289 ( 0.027 -2.096 -2.181) 3.025 8.619 ( 2.695 2.203 1.887) 3.960 8.759 ( 8.713 2.756 -3.087) 9.646 9.124 ( -6.371 1.017 0.294) 6.458 9.171 ( -0.689 3.358 -1.483) 3.735 9.730 ( 2.394 -2.900 4.923) 6.195 9.903 ( 3.888 2.822 -2.385) 5.364 9.919 ( 5.690 1.550 7.168) 9.282 10.065 ( 3.747 -1.043 1.112) 4.045 10.210 ( -1.079 -7.685 -4.262) 8.854 10.344 ( -0.037 -1.743 -0.999) 2.010 10.378 ( 1.673 2.444 0.848) 3.081 10.446 ( 9.521 7.468 -2.385) 12.334 10.700 ( 0.979 9.656 -7.139) 12.049 10.805 ( 1.272 11.759 -4.328) 12.594 11.154 ( -8.918 4.285 2.281) 10.153 11.279 ( -12.138 4.100 -0.136) 12.813 11.529 ( -5.005 3.035 9.891) 11.493 11.653 ( 4.269 11.774 1.592) 12.624 11.792 ( -9.340 1.897 0.410) 9.539 11.808 ( -6.199 2.297 -0.028) 6.611 12.137 ( -2.298 2.802 1.917) 4.100 12.322 ( 3.970 6.035 -6.334) 9.608 12.404 ( 2.557 -3.683 0.628) 4.528 12.683 ( -1.533 -7.230 -8.133) 10.989 12.802 ( 2.514 7.672 7.579) 11.073 12.863 ( 6.440 -1.519 3.013) 7.271 13.155 ( -2.635 -13.683 5.786) 15.088 13.184 ( -5.212 -3.935 2.135) 6.871 13.461 ( -0.492 -8.061 0.321) 8.082 13.548 ( -4.496 -14.120 -2.984) 15.116 13.673 ( -0.191 -5.552 -5.677) 7.943 13.709 ( -0.595 -3.305 -5.079) 6.089 15.993 ( 3.447 -4.629 -1.100) 5.876 16.116 ( 0.613 -2.691 -6.271) 6.852 16.280 ( 2.520 -2.039 5.695) 6.553 16.447 ( -0.443 -2.215 1.014) 2.476 16.888 ( -1.664 -13.963 2.469) 14.277 16.913 ( -0.917 -15.737 2.264) 15.925 17.057 ( 2.068 -17.391 -0.648) 17.526 17.103 ( -0.432 -16.862 -1.635) 16.946 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 7.375 12.164 2.533) 14.449 2.190 ( 4.220 11.402 -0.043) 12.158 2.317 ( -2.613 10.246 -0.912) 10.614 2.388 ( -9.552 6.691 -0.134) 11.663 2.613 ( 3.548 9.068 -1.514) 9.854 2.681 ( -1.078 6.921 -2.436) 7.416 2.765 ( 6.879 5.775 -5.572) 10.570 2.873 ( 3.333 7.757 -2.873) 8.918 2.941 ( -3.256 5.159 0.271) 6.106 3.016 ( -4.961 3.911 2.270) 6.713 3.301 ( 4.278 0.230 1.764) 4.633 3.375 ( -0.805 0.685 0.447) 1.148 3.532 ( -0.085 4.235 1.594) 4.526 3.649 ( -3.333 1.793 -0.782) 3.865 3.693 ( -2.571 5.312 1.243) 6.031 3.781 ( -4.675 5.118 4.215) 8.112 3.979 ( 4.349 9.468 1.793) 10.572 4.099 ( -5.634 8.510 -4.350) 11.095 4.134 ( 4.067 17.567 3.043) 18.287 4.209 ( -3.095 17.420 1.523) 17.759 4.265 ( 1.743 14.723 2.460) 15.029 4.357 ( -5.244 17.856 0.684) 18.623 4.555 ( 7.158 11.510 -2.793) 13.839 4.633 ( 0.057 19.742 0.442) 19.747 4.734 ( 4.574 13.026 -0.730) 13.825 4.805 ( -0.635 11.157 2.795) 11.519 4.853 ( -3.224 13.460 -0.092) 13.841 4.899 ( -6.099 19.015 1.565) 20.030 4.999 ( 6.181 8.672 -1.479) 10.751 5.078 ( -0.392 6.513 1.255) 6.645 5.203 ( 2.507 9.883 -7.982) 12.949 5.259 ( -2.660 12.391 -6.260) 14.135 5.391 ( 3.848 16.174 1.593) 16.702 5.488 ( -5.330 14.674 -2.052) 15.746 5.708 ( 3.151 4.209 4.733) 7.074 5.791 ( -4.420 1.831 0.793) 4.849 6.250 ( 4.903 0.788 0.606) 5.003 6.285 ( 5.287 -2.706 -1.074) 6.036 6.379 ( -0.808 2.051 2.844) 3.598 6.476 ( -6.076 -1.520 -1.245) 6.386 8.020 ( 0.365 -1.814 3.124) 3.631 8.032 ( -0.687 -1.685 2.542) 3.126 8.250 ( 4.347 -1.948 -0.968) 4.861 8.309 ( -0.346 -2.654 -2.322) 3.543 8.703 ( 6.403 1.548 1.886) 6.852 8.852 ( -4.687 2.560 -3.391) 6.326 9.035 ( 2.783 1.921 0.069) 3.383 9.129 ( -3.833 4.168 -3.331) 6.570 9.831 ( 6.633 -2.058 4.829) 8.459 9.943 ( -3.121 -1.331 3.939) 5.199 10.032 ( 8.111 1.935 -2.690) 8.762 10.168 ( -3.454 -0.259 -3.691) 5.062 10.193 ( 5.562 -1.476 4.170) 7.106 10.304 ( -4.116 1.113 1.214) 4.433 10.480 ( 10.252 5.806 2.643) 12.075 10.621 ( 1.682 8.374 2.463) 8.889 10.748 ( 4.872 3.912 -8.896) 10.871 10.819 ( -0.234 7.751 -5.239) 9.358 10.985 ( -5.310 -0.107 -1.350) 5.480 11.041 ( -9.638 0.391 -1.730) 9.799 11.376 ( -4.456 -1.217 7.592) 8.887 11.489 ( -13.335 -0.833 1.481) 13.443 11.764 ( 2.604 8.725 0.546) 9.122 11.785 ( 0.493 6.401 -0.054) 6.420 12.180 ( 7.269 6.057 2.663) 9.829 12.345 ( -4.586 5.840 -2.987) 8.003 12.449 ( 3.443 4.335 -2.503) 6.075 12.566 ( -8.276 2.943 -5.174) 10.194 12.851 ( 2.433 6.545 6.947) 9.849 12.896 ( -1.860 7.386 5.664) 9.491 13.172 ( 5.990 -16.806 3.739) 18.229 13.214 ( 2.880 -15.096 1.955) 15.492 13.404 ( -3.444 -10.130 -1.390) 10.789 13.435 ( -5.772 -12.649 -2.415) 14.112 13.675 ( 0.487 -5.237 -5.206) 7.400 13.692 ( -1.012 -4.595 -4.991) 6.859 16.068 ( 3.476 -4.564 -2.526) 6.268 16.116 ( -1.056 -4.160 -4.308) 6.081 16.349 ( 3.962 -2.364 4.495) 6.441 16.419 ( -2.578 -2.669 2.910) 4.716 16.865 ( -0.156 -14.417 1.512) 14.497 16.884 ( -1.643 -15.155 1.358) 15.304 17.091 ( 1.078 -16.210 -0.869) 16.269 17.100 ( 0.013 -15.968 -1.051) 16.003 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 0.000 12.148 0.364) 12.154 2.324 ( 0.000 10.991 -4.234) 11.778 2.526 ( 0.000 4.929 2.560) 5.554 2.574 ( 0.000 0.965 -0.627) 1.151 2.622 ( 0.000 6.068 4.924) 7.815 2.755 ( 0.000 1.685 -4.482) 4.789 2.853 ( 0.000 10.977 -1.953) 11.149 2.939 ( 0.000 4.212 -7.523) 8.622 3.104 ( 0.000 8.847 -3.736) 9.603 3.217 ( 0.000 1.726 7.511) 7.707 3.324 ( 0.000 7.301 -6.960) 10.087 3.331 ( 0.000 0.111 6.503) 6.504 3.714 ( 0.000 -2.912 10.403) 10.803 3.810 ( 0.000 1.765 10.156) 10.309 3.840 ( 0.000 -0.228 -0.464) 0.517 3.899 ( 0.000 -1.611 -6.750) 6.939 4.018 ( 0.000 0.140 1.170) 1.178 4.179 ( 0.000 -4.742 -3.454) 5.866 4.246 ( 0.000 -2.056 2.944) 3.591 4.270 ( 0.000 -2.594 -2.788) 3.808 4.498 ( 0.000 6.786 -2.653) 7.286 4.572 ( 0.000 1.326 -1.755) 2.200 4.703 ( 0.000 15.564 5.362) 16.462 4.923 ( 0.000 -3.934 -2.666) 4.752 4.937 ( 0.000 7.504 -4.863) 8.942 4.947 ( 0.000 1.262 -1.092) 1.669 5.089 ( 0.000 14.793 0.066) 14.793 5.140 ( 0.000 22.878 -1.777) 22.947 5.289 ( 0.000 12.308 6.395) 13.870 5.299 ( 0.000 18.535 0.388) 18.539 5.413 ( 0.000 20.493 1.372) 20.539 5.583 ( 0.000 20.929 -5.080) 21.536 5.773 ( 0.000 9.834 0.576) 9.850 5.777 ( 0.000 13.630 1.761) 13.743 5.960 ( 0.000 9.362 -4.453) 10.367 6.002 ( 0.000 17.581 -2.857) 17.812 6.127 ( 0.000 5.350 2.457) 5.887 6.240 ( 0.000 10.184 -0.048) 10.184 6.441 ( 0.000 -0.155 5.153) 5.156 6.606 ( 0.000 0.520 -1.219) 1.325 7.991 ( 0.000 2.965 2.800) 4.078 8.019 ( 0.000 0.265 4.807) 4.815 8.154 ( 0.000 1.507 -4.672) 4.909 8.262 ( 0.000 -0.752 -2.309) 2.428 8.661 ( 0.000 3.816 1.594) 4.136 8.728 ( 0.000 4.515 -0.554) 4.549 9.166 ( 0.000 -2.875 0.384) 2.901 9.175 ( 0.000 -1.732 0.181) 1.741 9.681 ( 0.000 1.204 4.767) 4.917 9.867 ( 0.000 1.193 5.472) 5.601 9.955 ( 0.000 3.006 -5.654) 6.403 9.971 ( 0.000 -5.414 0.285) 5.422 10.073 ( 0.000 -4.094 -4.413) 6.020 10.140 ( 0.000 -6.763 -1.179) 6.865 10.432 ( 0.000 3.668 0.493) 3.701 10.563 ( 0.000 9.706 -6.218) 11.527 10.839 ( 0.000 2.314 -2.917) 3.724 11.043 ( 0.000 12.453 -5.481) 13.606 11.320 ( 0.000 -2.600 5.538) 6.118 11.529 ( 0.000 0.070 -4.003) 4.003 11.634 ( 0.000 4.611 15.702) 16.365 11.771 ( 0.000 1.532 4.976) 5.206 11.796 ( 0.000 -4.138 5.525) 6.902 12.028 ( 0.000 5.551 2.269) 5.997 12.102 ( 0.000 -16.400 -5.902) 17.430 12.159 ( 0.000 -7.276 -5.807) 9.309 12.390 ( 0.000 7.742 -1.404) 7.868 12.451 ( 0.000 -3.269 -5.624) 6.505 12.723 ( 0.000 -0.528 6.558) 6.579 12.761 ( 0.000 -14.871 8.114) 16.941 13.140 ( 0.000 11.003 -0.182) 11.005 13.188 ( 0.000 -15.343 -4.858) 16.094 13.367 ( 0.000 -3.032 0.774) 3.129 13.367 ( 0.000 -0.534 -1.910) 1.983 13.561 ( 0.000 -5.774 -1.960) 6.097 13.718 ( 0.000 0.291 -6.155) 6.162 15.884 ( 0.000 -1.903 -0.108) 1.906 16.081 ( 0.000 -0.921 -9.196) 9.242 16.222 ( 0.000 -1.459 6.701) 6.858 16.427 ( 0.000 -0.926 1.505) 1.767 16.617 ( 0.000 -14.419 3.790) 14.909 16.665 ( 0.000 -11.545 1.057) 11.593 16.729 ( 0.000 -10.944 0.211) 10.946 16.840 ( 0.000 -9.485 -2.304) 9.761 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 3.440 11.570 -0.048) 12.070 2.340 ( 1.658 10.311 -4.011) 11.187 2.524 ( -0.248 6.295 1.381) 6.450 2.579 ( -1.605 1.476 -0.892) 2.356 2.631 ( 1.287 3.490 4.334) 5.711 2.763 ( 1.927 2.523 -2.261) 3.898 2.843 ( -0.878 8.045 -2.128) 8.367 2.964 ( 2.398 5.653 -6.984) 9.300 3.097 ( -0.764 7.904 -0.814) 7.983 3.218 ( 1.446 3.382 3.355) 4.978 3.278 ( -3.862 5.061 -2.345) 6.784 3.385 ( 2.522 3.234 2.738) 4.931 3.628 ( -4.431 -0.258 8.805) 9.860 3.747 ( -5.219 -0.289 -0.373) 5.241 3.824 ( -1.395 -0.958 2.324) 2.875 3.864 ( -5.539 -1.184 0.089) 5.665 4.042 ( 0.586 -1.885 2.516) 3.198 4.164 ( -1.012 -2.343 4.964) 5.582 4.269 ( 3.461 0.748 -3.977) 5.325 4.337 ( 5.945 -2.998 -4.344) 7.950 4.502 ( 1.048 6.443 -2.370) 6.945 4.564 ( -1.899 4.079 0.288) 4.509 4.716 ( 1.498 11.064 2.735) 11.495 4.882 ( -4.709 11.077 -2.663) 12.327 4.929 ( -1.491 2.229 -1.207) 2.941 4.983 ( 3.734 -1.192 -3.046) 4.964 5.089 ( -0.499 9.939 0.804) 9.984 5.134 ( 0.915 17.157 0.170) 17.182 5.266 ( -1.253 16.730 2.683) 16.990 5.329 ( 2.774 15.282 0.972) 15.562 5.404 ( -1.589 19.193 1.654) 19.329 5.582 ( -0.930 17.957 -5.979) 18.949 5.747 ( 1.119 18.491 0.827) 18.544 5.847 ( 3.193 11.800 1.796) 12.356 5.933 ( -1.767 14.606 -4.471) 15.376 6.004 ( -0.629 15.205 -2.159) 15.370 6.158 ( 3.239 4.339 3.093) 6.236 6.271 ( 2.740 7.907 -0.954) 8.422 6.427 ( -1.269 0.121 4.899) 5.062 6.573 ( -3.165 0.664 -0.793) 3.330 8.002 ( 0.575 1.995 3.369) 3.957 8.017 ( 0.088 0.153 3.087) 3.093 8.184 ( 2.447 1.253 -3.068) 4.120 8.268 ( 0.955 0.280 -2.799) 2.970 8.683 ( 2.399 4.419 2.818) 5.764 8.815 ( 7.555 3.069 -1.783) 8.347 9.129 ( -4.126 -0.163 0.776) 4.202 9.198 ( 1.502 -0.429 -1.539) 2.193 9.695 ( 2.179 0.244 5.584) 5.999 9.922 ( 2.216 -0.346 5.141) 5.609 9.963 ( 1.058 2.488 -4.224) 5.015 9.989 ( 4.231 -5.596 -0.235) 7.019 10.080 ( 1.539 -4.350 -3.804) 5.980 10.213 ( 5.529 -7.860 -0.946) 9.657 10.467 ( 3.376 5.142 0.749) 6.197 10.619 ( 5.845 7.866 -7.231) 12.178 10.796 ( -3.991 0.178 -0.756) 4.066 11.030 ( -3.201 8.451 -5.374) 10.514 11.165 ( -10.517 -1.268 3.433) 11.135 11.328 ( -13.862 0.678 -2.269) 14.063 11.582 ( -8.081 3.677 13.971) 16.553 11.743 ( -3.990 0.455 1.966) 4.471 11.840 ( -1.527 0.474 0.080) 1.601 11.926 ( -4.181 6.534 0.400) 7.767 12.107 ( 4.558 -10.336 0.750) 11.321 12.287 ( 7.144 -6.874 0.028) 9.914 12.399 ( 3.509 -3.601 -5.501) 7.453 12.522 ( 3.341 2.720 -3.644) 5.642 12.754 ( 4.257 -12.973 8.192) 15.922 12.855 ( 6.795 -0.827 5.716) 8.918 13.119 ( -3.448 7.215 0.088) 7.998 13.126 ( -4.549 -6.084 -3.917) 8.547 13.271 ( -6.032 -5.079 1.727) 8.072 13.346 ( -4.427 -2.970 -1.651) 5.580 13.561 ( 0.558 -6.276 -3.562) 7.238 13.697 ( -2.044 -0.477 -6.351) 6.689 15.925 ( 3.513 -1.962 -1.147) 4.184 16.071 ( -0.862 -1.719 -7.057) 7.314 16.243 ( 2.016 -1.875 5.029) 5.733 16.402 ( -2.069 -2.941 1.378) 3.851 16.615 ( 0.007 -13.186 3.309) 13.595 16.670 ( -0.731 -8.185 4.270) 9.261 16.758 ( 3.008 -12.565 -2.215) 13.108 16.841 ( 0.159 -9.298 -2.121) 9.538 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 3.800 9.489 -0.427) 10.230 2.389 ( 2.414 8.945 -3.105) 9.771 2.493 ( -2.581 7.102 -0.219) 7.560 2.504 ( -4.025 5.582 -1.796) 7.112 2.695 ( 4.793 1.253 3.447) 6.035 2.785 ( -3.019 2.106 1.790) 4.093 2.868 ( 5.854 4.270 -3.202) 7.922 2.989 ( -3.421 2.139 -5.905) 7.151 3.092 ( 2.581 10.534 0.277) 10.849 3.174 ( -4.693 10.226 -2.761) 11.585 3.300 ( 5.338 1.263 3.118) 6.309 3.391 ( -2.241 2.489 2.595) 4.237 3.597 ( 0.915 2.720 2.010) 3.504 3.676 ( -3.438 1.431 -0.689) 3.788 3.717 ( -3.125 -1.022 1.578) 3.647 3.774 ( -4.265 -3.753 5.163) 7.677 4.060 ( 2.030 -0.617 3.813) 4.364 4.117 ( -3.182 -3.042 1.837) 4.770 4.372 ( 5.825 5.916 -0.612) 8.325 4.459 ( 1.191 2.918 -3.193) 4.487 4.509 ( 0.437 2.358 0.441) 2.438 4.538 ( 1.260 1.723 -4.292) 4.794 4.731 ( -0.406 6.669 -3.131) 7.379 4.767 ( -5.092 11.830 -1.271) 12.942 4.928 ( 1.739 6.596 3.313) 7.584 4.982 ( -2.923 8.926 2.622) 9.751 5.125 ( 3.332 1.171 -0.814) 3.625 5.161 ( 0.237 4.342 0.484) 4.375 5.270 ( 1.755 19.943 1.905) 20.111 5.328 ( -3.301 18.783 1.815) 19.157 5.425 ( 4.677 15.786 -3.510) 16.834 5.526 ( -4.483 14.964 -6.129) 16.780 5.802 ( 3.557 21.107 0.607) 21.414 5.865 ( -2.107 19.453 -0.128) 19.567 5.930 ( 1.948 15.463 -1.317) 15.641 5.973 ( -2.091 15.676 -1.080) 15.851 6.246 ( 4.779 1.842 2.035) 5.511 6.312 ( -0.444 3.511 -0.371) 3.558 6.415 ( 1.510 1.764 3.231) 3.978 6.489 ( -4.690 1.674 0.469) 5.002 8.009 ( 0.377 0.767 2.817) 2.943 8.017 ( -0.338 0.363 2.224) 2.279 8.241 ( 3.061 0.736 -1.403) 3.447 8.283 ( -0.480 -0.027 -2.369) 2.417 8.774 ( 6.857 5.815 2.501) 9.332 8.916 ( -3.498 4.285 -2.381) 6.022 9.067 ( 3.683 1.748 0.916) 4.179 9.181 ( -4.066 1.394 -2.919) 5.195 9.782 ( 5.877 -1.888 4.841) 7.845 9.891 ( -4.153 -2.441 3.083) 5.720 10.033 ( 5.871 -1.710 -3.226) 6.914 10.095 ( 2.729 -4.702 -2.708) 6.074 10.162 ( 5.035 -3.599 2.055) 6.521 10.259 ( -2.406 -5.283 2.047) 6.156 10.577 ( 7.711 3.190 -0.484) 8.359 10.704 ( -4.022 -5.168 -3.584) 7.466 10.773 ( 4.540 2.454 0.095) 5.162 10.925 ( 3.950 2.025 -4.930) 6.634 10.968 ( -13.745 1.916 0.069) 13.879 11.110 ( -7.246 6.122 -6.880) 11.718 11.427 ( -4.026 6.116 9.102) 11.682 11.509 ( -11.683 3.520 4.486) 13.001 11.867 ( 1.812 1.142 -2.021) 2.945 11.891 ( -0.959 3.100 -2.211) 3.926 12.238 ( 7.922 -3.207 4.617) 9.714 12.377 ( -2.969 -4.347 3.082) 6.100 12.469 ( 5.523 -5.585 -2.663) 8.294 12.553 ( -1.074 -2.334 -0.666) 2.654 12.876 ( 6.523 -9.718 4.200) 12.435 12.966 ( -0.626 3.911 1.947) 4.413 13.016 ( 1.708 -2.074 1.698) 3.178 13.085 ( -1.557 7.531 1.377) 7.812 13.163 ( -3.738 -9.629 -0.142) 10.330 13.215 ( -7.220 -5.729 -1.567) 9.349 13.591 ( 2.239 -4.845 -5.343) 7.552 13.644 ( -2.916 -2.447 -6.191) 7.268 15.998 ( 3.259 -2.300 -3.154) 5.085 16.047 ( -1.675 -2.497 -4.838) 5.696 16.297 ( 3.043 -3.391 3.575) 5.791 16.355 ( -2.590 -4.355 2.244) 5.541 16.618 ( 0.511 -10.289 3.313) 10.822 16.641 ( -1.636 -8.275 3.828) 9.264 16.818 ( 2.343 -11.082 -2.012) 11.504 16.843 ( -0.270 -9.770 -1.816) 9.941 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 0.000 10.242 -0.410) 10.250 2.486 ( 0.000 4.942 -0.425) 4.960 2.585 ( 0.000 0.307 1.044) 1.088 2.633 ( 0.000 7.137 -0.947) 7.200 2.718 ( 0.000 3.297 -1.065) 3.465 2.775 ( 0.000 0.449 -5.126) 5.145 2.964 ( 0.000 -2.385 -1.867) 3.029 2.986 ( 0.000 0.945 -1.872) 2.097 3.266 ( 0.000 5.619 9.748) 11.252 3.274 ( 0.000 7.519 -0.929) 7.576 3.404 ( 0.000 7.806 3.907) 8.729 3.479 ( 0.000 6.366 -5.453) 8.382 3.648 ( 0.000 -3.529 10.456) 11.036 3.807 ( 0.000 -3.487 2.643) 4.376 3.814 ( 0.000 -1.855 -3.368) 3.845 3.839 ( 0.000 -1.294 -4.598) 4.776 3.968 ( 0.000 -4.528 -0.871) 4.611 4.058 ( 0.000 -6.768 -2.697) 7.286 4.170 ( 0.000 -4.596 3.330) 5.675 4.181 ( 0.000 -4.914 0.945) 5.004 4.559 ( 0.000 -1.176 -1.484) 1.894 4.561 ( 0.000 1.282 -3.489) 3.717 4.797 ( 0.000 -7.028 1.519) 7.190 4.896 ( 0.000 -2.811 -3.339) 4.364 5.001 ( 0.000 8.087 0.403) 8.097 5.046 ( 0.000 6.702 0.295) 6.708 5.354 ( 0.000 11.078 1.741) 11.214 5.435 ( 0.000 9.083 0.986) 9.136 5.580 ( 0.000 12.295 2.130) 12.478 5.604 ( 0.000 11.058 4.044) 11.775 5.773 ( 0.000 14.339 1.332) 14.401 5.891 ( 0.000 9.975 -8.120) 12.862 5.983 ( 0.000 12.477 -1.729) 12.596 6.034 ( 0.000 12.255 -2.717) 12.552 6.193 ( 0.000 11.577 -1.753) 11.709 6.254 ( 0.000 7.842 1.207) 7.934 6.338 ( 0.000 13.619 0.561) 13.631 6.419 ( 0.000 3.065 1.868) 3.589 6.469 ( 0.000 6.428 2.669) 6.960 6.595 ( 0.000 -1.545 -0.574) 1.648 8.051 ( 0.000 3.359 1.664) 3.749 8.090 ( 0.000 5.954 3.837) 7.083 8.173 ( 0.000 0.378 -3.258) 3.280 8.286 ( 0.000 2.053 -3.139) 3.751 8.743 ( 0.000 4.737 2.600) 5.404 8.819 ( 0.000 4.516 -0.329) 4.528 9.095 ( 0.000 -4.079 0.315) 4.091 9.115 ( 0.000 -4.253 -0.505) 4.283 9.738 ( 0.000 2.260 1.213) 2.565 9.867 ( 0.000 -1.066 1.211) 1.613 9.884 ( 0.000 -5.976 -4.453) 7.453 9.936 ( 0.000 4.747 7.346) 8.746 9.995 ( 0.000 -4.665 -1.588) 4.928 10.223 ( 0.000 12.110 -4.214) 12.823 10.530 ( 0.000 6.656 1.822) 6.901 10.666 ( 0.000 -4.078 -6.441) 7.624 10.856 ( 0.000 4.364 3.882) 5.841 11.189 ( 0.000 -8.769 6.886) 11.150 11.243 ( 0.000 4.378 -10.829) 11.680 11.428 ( 0.000 -9.729 -4.228) 10.608 11.624 ( 0.000 -13.479 5.578) 14.587 11.671 ( 0.000 -2.596 2.303) 3.470 11.772 ( 0.000 4.002 13.797) 14.366 11.828 ( 0.000 -5.036 -1.771) 5.338 12.011 ( 0.000 -7.545 -5.961) 9.616 12.182 ( 0.000 6.475 -1.739) 6.705 12.324 ( 0.000 -12.294 10.684) 16.288 12.526 ( 0.000 4.876 -1.924) 5.242 12.574 ( 0.000 -0.937 -2.339) 2.520 12.702 ( 0.000 -5.969 -3.765) 7.057 12.919 ( 0.000 -5.319 4.107) 6.720 13.268 ( 0.000 -3.372 -9.266) 9.861 13.384 ( 0.000 2.984 0.758) 3.079 13.386 ( 0.000 5.414 0.491) 5.436 13.496 ( 0.000 -0.162 2.837) 2.841 13.695 ( 0.000 -2.767 -4.975) 5.693 15.883 ( 0.000 1.687 -0.407) 1.735 16.065 ( 0.000 -0.972 -8.047) 8.106 16.197 ( 0.000 -1.047 5.331) 5.433 16.346 ( 0.000 -9.419 0.642) 9.441 16.419 ( 0.000 -3.006 -0.509) 3.049 16.475 ( 0.000 -7.276 -1.635) 7.458 16.604 ( 0.000 -2.054 5.224) 5.613 16.716 ( 0.000 -3.988 0.120) 3.990 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 1.676 8.130 -0.885) 8.347 2.503 ( 2.085 6.934 -1.234) 7.345 2.593 ( 0.049 0.207 0.398) 0.451 2.633 ( 0.107 6.059 -0.216) 6.064 2.705 ( -1.176 3.360 -1.169) 3.747 2.789 ( 1.754 0.415 -2.666) 3.219 2.933 ( -3.412 0.021 -1.941) 3.926 2.984 ( 0.487 -2.531 -4.479) 5.167 3.249 ( 0.077 4.862 8.930) 10.169 3.292 ( 0.453 8.047 -0.009) 8.060 3.427 ( 0.295 7.963 2.808) 8.449 3.498 ( 2.508 6.361 -3.564) 7.711 3.625 ( -1.611 -0.163 7.428) 7.603 3.692 ( -4.298 -3.687 3.668) 6.747 3.809 ( -2.939 -0.164 -1.942) 3.527 3.836 ( -4.358 -0.870 -1.191) 4.601 3.967 ( 1.892 -4.587 0.807) 5.027 4.071 ( -1.753 -5.614 0.624) 5.914 4.185 ( 5.275 -7.455 -2.841) 9.564 4.264 ( 5.666 -4.869 -1.579) 7.635 4.531 ( -0.936 0.110 -1.257) 1.571 4.594 ( 0.540 0.387 -1.225) 1.393 4.795 ( -0.407 -5.071 -1.861) 5.417 4.897 ( 0.042 -5.467 -3.862) 6.694 5.028 ( 2.744 8.577 1.783) 9.180 5.057 ( 1.342 6.897 0.408) 7.039 5.303 ( -4.315 10.439 3.423) 11.802 5.362 ( -6.216 9.110 2.187) 11.243 5.603 ( 0.473 10.343 2.831) 10.734 5.608 ( 2.333 12.555 0.867) 12.799 5.738 ( -2.716 14.087 0.808) 14.369 5.864 ( -2.850 10.039 -7.044) 12.590 6.046 ( 5.182 11.457 -2.022) 12.736 6.084 ( 4.006 12.845 -2.196) 13.633 6.212 ( 1.900 11.686 -0.944) 11.877 6.277 ( 1.639 9.472 0.112) 9.613 6.335 ( -0.344 12.983 1.360) 13.058 6.423 ( 0.432 1.461 2.134) 2.621 6.454 ( -1.322 7.261 1.867) 7.613 6.573 ( -2.078 -0.632 -0.417) 2.211 8.051 ( -0.120 3.224 1.586) 3.596 8.072 ( -1.128 4.646 2.423) 5.360 8.205 ( 2.455 0.543 -1.726) 3.050 8.291 ( 0.297 1.041 -2.905) 3.100 8.795 ( 4.952 6.861 2.751) 8.898 8.886 ( 6.320 4.298 -0.538) 7.662 9.118 ( 1.402 -1.122 0.389) 1.837 9.164 ( 3.963 -2.779 -1.212) 4.990 9.747 ( 0.354 3.528 3.991) 5.338 9.879 ( -1.005 -3.939 1.303) 4.269 9.888 ( 2.792 -2.503 -0.315) 3.763 9.963 ( 3.379 -1.804 -0.489) 3.861 10.050 ( 4.163 -4.351 -0.570) 6.049 10.140 ( -5.522 6.317 -2.155) 8.663 10.586 ( 0.623 2.937 -0.857) 3.122 10.614 ( -2.486 -5.089 -1.981) 6.000 10.843 ( -2.024 3.885 1.500) 4.630 10.985 ( -10.337 -5.425 1.089) 11.725 11.279 ( -3.169 7.632 -5.632) 10.000 11.332 ( -5.042 -0.085 -5.227) 7.263 11.620 ( -1.314 -6.059 8.054) 10.164 11.733 ( -5.303 -7.907 -0.584) 9.539 11.747 ( 1.977 0.699 4.452) 4.921 11.879 ( 8.390 -5.558 6.146) 11.792 11.982 ( -5.848 -3.079 -4.995) 8.284 12.144 ( 3.055 -3.091 -1.438) 4.578 12.282 ( -2.931 -10.641 8.286) 13.802 12.527 ( -3.287 -5.743 0.712) 6.655 12.651 ( 8.560 4.131 -1.477) 9.618 12.807 ( 7.220 -7.108 -4.462) 11.070 12.960 ( 4.929 1.231 4.170) 6.572 13.246 ( -4.789 1.910 -4.096) 6.585 13.332 ( -4.488 0.428 -1.166) 4.656 13.348 ( -3.525 6.628 -0.469) 7.521 13.444 ( -2.542 -4.082 1.734) 5.112 13.662 ( -3.252 -3.159 -5.508) 7.135 15.918 ( 3.020 1.185 -1.466) 3.560 16.047 ( -1.357 -0.887 -6.157) 6.367 16.200 ( 0.053 -2.532 3.520) 4.336 16.302 ( -3.395 -7.232 -0.417) 8.000 16.429 ( 2.367 -4.501 1.542) 5.314 16.557 ( 5.362 -6.662 -1.664) 8.712 16.593 ( -1.127 -1.427 5.221) 5.529 16.716 ( -0.077 -4.109 -0.004) 4.110 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 1.517 6.608 -1.726) 6.997 2.546 ( 0.329 6.592 -3.024) 7.260 2.586 ( 1.146 4.193 0.352) 4.361 2.630 ( -1.625 5.948 -2.696) 6.729 2.706 ( 2.674 0.271 2.492) 3.665 2.786 ( -3.725 -1.114 1.930) 4.341 2.912 ( 2.901 -0.402 -4.882) 5.694 2.975 ( -1.989 -3.277 -5.707) 6.875 3.263 ( 0.744 4.121 5.564) 6.964 3.280 ( -1.125 5.605 2.543) 6.257 3.452 ( 3.172 10.191 1.794) 10.823 3.520 ( -1.694 8.639 -1.699) 8.966 3.617 ( 1.003 -0.838 4.866) 5.038 3.646 ( -1.109 -4.634 6.993) 8.462 3.727 ( -2.712 3.395 -0.023) 4.345 3.752 ( -3.505 3.782 0.235) 5.162 4.001 ( 1.406 -4.451 0.947) 4.763 4.029 ( -1.615 -5.219 1.877) 5.776 4.316 ( 5.791 -9.766 -7.689) 13.713 4.359 ( 2.284 -8.440 -5.553) 10.358 4.520 ( 0.422 1.637 0.938) 1.934 4.566 ( -2.997 1.256 2.390) 4.034 4.803 ( 1.988 -2.516 -6.269) 7.042 4.867 ( -3.284 -4.044 -6.343) 8.208 5.100 ( 4.073 8.922 2.909) 10.230 5.118 ( 4.269 6.252 2.783) 8.066 5.208 ( -4.636 8.102 4.706) 10.454 5.234 ( -5.653 6.806 4.334) 9.852 5.622 ( 1.445 12.030 0.956) 12.154 5.649 ( -0.097 14.179 -0.418) 14.186 5.708 ( 1.668 10.621 -0.440) 10.760 5.785 ( -4.544 10.109 -4.175) 11.844 6.143 ( 3.508 12.255 -2.466) 12.983 6.158 ( 2.357 11.716 -2.631) 12.236 6.253 ( 1.816 14.563 -1.056) 14.714 6.288 ( -1.156 13.866 -1.949) 14.050 6.341 ( 1.851 6.870 4.628) 8.488 6.397 ( -2.964 3.222 4.188) 6.059 6.464 ( 2.369 4.112 -0.637) 4.788 6.520 ( -2.954 1.538 -0.296) 3.344 8.048 ( 0.033 3.238 1.590) 3.608 8.055 ( -0.608 3.367 1.549) 3.755 8.255 ( 2.249 -0.113 -1.091) 2.502 8.287 ( -0.867 -0.381 -1.867) 2.094 8.927 ( 7.446 9.250 1.883) 12.023 9.020 ( 2.770 6.051 -1.631) 6.852 9.121 ( 1.303 3.885 1.532) 4.374 9.203 ( -1.929 1.226 -1.535) 2.753 9.782 ( 3.874 1.730 4.693) 6.327 9.860 ( -2.083 -1.514 3.132) 4.055 9.966 ( 4.006 -4.970 -2.788) 6.966 10.015 ( 2.311 -1.488 -0.829) 2.871 10.058 ( -0.463 -6.192 1.064) 6.300 10.118 ( -1.866 -8.178 2.723) 8.819 10.490 ( -1.684 -13.019 -4.029) 13.731 10.567 ( -7.664 -7.981 -3.524) 11.612 10.815 ( 5.529 4.981 2.387) 7.815 10.936 ( -1.851 4.132 -2.362) 5.107 11.149 ( -1.918 11.529 -1.810) 11.827 11.257 ( -6.819 8.406 -7.695) 13.280 11.560 ( -1.826 5.063 7.076) 8.890 11.597 ( -5.107 1.985 5.268) 7.601 11.810 ( 3.134 -4.885 -3.663) 6.863 11.871 ( -3.437 -4.358 -4.974) 7.453 12.069 ( 8.363 -9.682 5.156) 13.794 12.207 ( -5.123 -11.330 6.359) 13.967 12.268 ( 7.713 -10.979 2.054) 13.574 12.421 ( -6.877 -11.191 1.291) 13.198 12.840 ( 9.611 3.281 1.026) 10.207 12.942 ( 5.566 -0.499 -3.626) 6.662 13.081 ( -7.130 3.162 2.081) 8.072 13.107 ( 6.766 4.290 1.349) 8.124 13.176 ( -8.509 1.179 0.341) 8.597 13.262 ( -6.072 6.472 0.300) 8.880 13.474 ( 4.354 -6.716 -4.548) 9.205 13.574 ( -5.086 -4.541 -5.825) 8.967 15.980 ( 2.686 0.428 -3.311) 4.285 16.020 ( -1.442 -0.279 -4.481) 4.716 16.205 ( 0.787 -5.483 1.631) 5.774 16.239 ( -2.588 -6.815 0.078) 7.290 16.494 ( 3.561 -2.212 3.579) 5.512 16.557 ( -2.495 -0.991 4.651) 5.370 16.652 ( 3.774 -6.053 -1.222) 7.237 16.704 ( -1.427 -4.906 -0.556) 5.139 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 0.000 1.888 2.011) 2.758 2.571 ( 0.000 -0.506 1.404) 1.493 2.675 ( 0.000 9.345 -0.175) 9.347 2.759 ( 0.000 1.287 -4.184) 4.378 2.777 ( 0.000 -0.173 -4.752) 4.755 2.789 ( 0.000 7.660 -3.149) 8.283 2.855 ( 0.000 -7.814 0.021) 7.814 2.925 ( 0.000 -5.652 -1.873) 5.955 3.405 ( 0.000 6.511 8.723) 10.885 3.411 ( 0.000 5.865 3.904) 7.046 3.539 ( 0.000 -0.505 2.472) 2.523 3.550 ( 0.000 -0.075 5.740) 5.741 3.605 ( 0.000 4.703 3.536) 5.884 3.716 ( 0.000 -4.456 -4.672) 6.456 3.789 ( 0.000 0.119 -5.337) 5.338 3.843 ( 0.000 -2.280 -3.287) 4.000 3.872 ( 0.000 -1.191 -2.201) 2.503 3.936 ( 0.000 -5.120 -3.284) 6.082 4.096 ( 0.000 -2.065 3.067) 3.697 4.103 ( 0.000 -2.560 2.283) 3.430 4.559 ( 0.000 1.492 -0.715) 1.654 4.591 ( 0.000 0.467 -2.580) 2.622 4.694 ( 0.000 -1.190 0.720) 1.391 4.774 ( 0.000 -6.761 -3.260) 7.506 5.137 ( 0.000 3.913 1.124) 4.071 5.147 ( 0.000 2.692 0.782) 2.804 5.514 ( 0.000 4.988 2.060) 5.396 5.545 ( 0.000 1.970 1.501) 2.477 5.719 ( 0.000 3.112 4.170) 5.203 5.728 ( 0.000 2.304 4.493) 5.049 5.979 ( 0.000 6.448 -6.573) 9.208 6.015 ( 0.000 2.646 -8.722) 9.114 6.204 ( 0.000 7.325 0.675) 7.356 6.217 ( 0.000 5.328 -1.713) 5.596 6.343 ( 0.000 2.765 1.794) 3.296 6.354 ( 0.000 1.712 3.804) 4.172 6.455 ( 0.000 3.347 0.368) 3.367 6.507 ( 0.000 0.876 -1.406) 1.657 6.576 ( 0.000 1.902 0.157) 1.909 6.586 ( 0.000 2.917 0.040) 2.917 8.127 ( 0.000 3.625 0.183) 3.630 8.172 ( 0.000 -0.832 -1.520) 1.733 8.208 ( 0.000 5.468 1.396) 5.643 8.289 ( 0.000 -2.260 -1.642) 2.793 8.853 ( 0.000 5.983 0.868) 6.045 8.898 ( 0.000 2.919 -1.201) 3.156 9.013 ( 0.000 -3.812 0.542) 3.851 9.015 ( 0.000 -5.076 0.656) 5.118 9.746 ( 0.000 0.424 -1.027) 1.111 9.786 ( 0.000 -3.615 -2.483) 4.386 9.881 ( 0.000 1.701 0.529) 1.781 9.924 ( 0.000 -2.713 -0.520) 2.763 10.134 ( 0.000 13.916 9.004) 16.575 10.422 ( 0.000 -11.361 3.028) 11.758 10.546 ( 0.000 14.486 -0.939) 14.517 10.695 ( 0.000 9.117 1.802) 9.294 10.906 ( 0.000 -6.400 0.808) 6.451 10.967 ( 0.000 -21.246 -4.656) 21.751 11.114 ( 0.000 6.756 0.241) 6.761 11.310 ( 0.000 -9.579 -6.347) 11.491 11.568 ( 0.000 7.130 0.905) 7.187 11.646 ( 0.000 0.717 0.443) 0.843 11.733 ( 0.000 -4.817 -1.373) 5.009 11.759 ( 0.000 -7.511 0.268) 7.516 11.966 ( 0.000 5.012 6.081) 7.880 12.103 ( 0.000 -8.488 11.226) 14.074 12.314 ( 0.000 7.066 -1.965) 7.334 12.490 ( 0.000 -10.923 -3.611) 11.504 12.584 ( 0.000 1.285 -1.332) 1.851 12.588 ( 0.000 0.708 -2.152) 2.266 12.983 ( 0.000 6.936 0.749) 6.977 13.133 ( 0.000 -7.904 -4.764) 9.228 13.452 ( 0.000 3.306 1.076) 3.477 13.492 ( 0.000 0.743 1.235) 1.441 13.511 ( 0.000 4.227 -0.547) 4.262 13.615 ( 0.000 -4.988 -2.797) 5.718 15.942 ( 0.000 4.040 -1.530) 4.320 16.024 ( 0.000 -3.527 -4.052) 5.372 16.183 ( 0.000 -0.190 1.848) 1.857 16.209 ( 0.000 -3.648 -0.809) 3.737 16.379 ( 0.000 -1.191 -1.443) 1.871 16.384 ( 0.000 -2.092 -2.110) 2.971 16.611 ( 0.000 1.805 5.109) 5.418 16.655 ( 0.000 -2.517 2.722) 3.708 ======================= Grid point 111 (47/72) ======================= q-point: ( 0.20 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 1.841 1.880 2.037) 3.328 2.587 ( 1.371 -0.619 1.615) 2.207 2.677 ( 0.262 8.197 -1.453) 8.329 2.753 ( -0.925 1.400 -3.783) 4.139 2.768 ( -1.615 6.406 -3.381) 7.421 2.788 ( 0.752 0.323 -2.880) 2.994 2.856 ( -0.094 -6.210 -1.835) 6.477 2.899 ( -1.986 -5.695 -3.337) 6.893 3.366 ( -1.726 6.569 7.689) 10.259 3.426 ( -0.394 3.736 7.204) 8.125 3.517 ( -1.076 -0.323 4.354) 4.496 3.544 ( -2.932 -4.146 8.140) 9.594 3.619 ( 2.712 6.013 -0.447) 6.611 3.698 ( 0.778 -0.070 -3.592) 3.675 3.822 ( -1.107 0.919 -2.497) 2.882 3.838 ( 2.233 0.994 -2.366) 3.402 3.901 ( 2.296 -0.330 -1.540) 2.785 3.974 ( 2.094 -4.453 -4.864) 6.919 4.063 ( -1.132 -2.367 0.920) 2.780 4.133 ( 1.732 -7.112 -0.758) 7.359 4.567 ( 0.778 3.120 -0.602) 3.272 4.618 ( 1.512 1.187 -2.914) 3.491 4.683 ( -0.726 -3.060 0.242) 3.154 4.761 ( -1.064 -7.083 -3.106) 7.807 5.158 ( 2.234 3.655 1.587) 4.568 5.164 ( 1.798 2.969 1.256) 3.692 5.459 ( -5.159 4.802 2.967) 7.647 5.482 ( -5.848 2.562 2.395) 6.819 5.731 ( 1.166 3.220 3.232) 4.709 5.742 ( 2.425 2.280 2.981) 4.469 5.945 ( -3.324 6.658 -5.093) 9.018 5.990 ( -2.994 2.302 -6.928) 7.890 6.231 ( 3.524 6.037 0.055) 6.990 6.255 ( 2.980 3.874 -0.883) 4.967 6.372 ( 3.147 4.611 1.931) 5.907 6.407 ( 3.117 1.254 0.898) 3.478 6.449 ( -0.499 3.905 0.458) 3.963 6.499 ( -0.706 0.993 -1.303) 1.784 6.563 ( -1.179 3.355 0.401) 3.579 6.582 ( -0.532 2.018 0.009) 2.087 8.129 ( 0.128 3.963 0.260) 3.974 8.164 ( -1.057 3.191 -0.716) 3.437 8.203 ( 0.288 0.408 0.778) 0.924 8.272 ( -1.451 -3.210 -1.413) 3.795 8.944 ( 7.925 7.563 1.170) 11.016 8.981 ( 7.491 4.813 -0.410) 8.913 9.078 ( 5.874 -3.112 0.130) 6.649 9.087 ( 6.533 -5.088 -0.133) 8.282 9.753 ( 0.572 -0.297 -0.767) 1.002 9.793 ( 0.096 -3.995 -2.281) 4.601 9.905 ( 2.481 0.876 1.247) 2.911 9.941 ( 1.573 -2.139 0.624) 2.728 10.070 ( -5.341 10.329 7.297) 13.728 10.315 ( -8.817 -2.759 -0.325) 9.244 10.375 ( -12.098 1.175 3.111) 12.546 10.624 ( -14.284 -11.870 -1.356) 18.622 10.863 ( 7.027 11.156 1.401) 13.259 11.077 ( 3.692 4.793 -6.256) 8.703 11.192 ( 5.832 -9.650 0.017) 11.275 11.310 ( -0.350 -6.217 -5.129) 8.068 11.573 ( 0.440 6.503 0.914) 6.582 11.647 ( -1.273 1.374 -1.696) 2.526 11.732 ( 1.485 -7.270 0.587) 7.444 11.764 ( 0.139 -6.210 1.187) 6.324 11.963 ( -0.075 4.097 3.877) 5.641 12.087 ( -1.447 -7.799 10.724) 13.338 12.182 ( -8.196 5.903 -0.575) 10.117 12.352 ( -8.542 -10.432 -0.064) 13.483 12.712 ( 9.536 2.463 -1.494) 9.962 12.746 ( 9.734 -1.007 -2.747) 10.164 13.051 ( 6.323 6.247 0.155) 8.890 13.182 ( 4.302 -6.505 -4.924) 9.223 13.367 ( -7.452 2.689 1.972) 8.165 13.404 ( -8.430 -0.793 2.112) 8.727 13.474 ( -3.331 5.397 -1.356) 6.486 13.579 ( -3.685 -4.971 -3.575) 7.146 15.964 ( 1.943 3.148 -2.063) 4.236 16.023 ( 0.071 -2.138 -3.784) 4.347 16.157 ( -2.361 -1.163 0.909) 2.784 16.180 ( -2.648 -3.866 -1.152) 4.826 16.405 ( 3.782 1.072 -0.035) 3.931 16.454 ( 4.863 -3.722 -1.386) 6.279 16.608 ( -0.520 1.922 4.788) 5.185 16.654 ( -0.388 -2.606 2.433) 3.586 ======================= Grid point 112 (48/72) ======================= q-point: ( 0.40 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 2.372 2.226 1.276) 3.494 2.621 ( 2.375 1.811 0.346) 3.007 2.674 ( -0.734 3.131 -0.111) 3.218 2.714 ( -3.091 -0.136 -0.824) 3.202 2.747 ( 0.450 6.155 -3.729) 7.211 2.778 ( -1.863 2.171 -2.263) 3.648 2.858 ( 0.918 -4.314 -5.804) 7.290 2.876 ( -0.639 -6.236 -4.941) 7.982 3.354 ( 0.764 5.748 7.734) 9.666 3.393 ( -2.549 5.167 7.893) 9.773 3.486 ( -0.795 -6.046 6.866) 9.183 3.501 ( -1.733 -4.837 6.898) 8.601 3.678 ( 4.098 7.976 0.433) 8.978 3.759 ( -0.608 7.145 -1.158) 7.264 3.793 ( 2.063 0.265 0.796) 2.227 3.861 ( -1.087 2.790 -0.029) 2.995 3.934 ( 1.180 0.794 -1.431) 2.018 3.961 ( -1.819 3.190 -3.173) 4.853 4.107 ( 3.597 -10.705 -5.859) 12.722 4.151 ( -0.466 -11.423 -4.782) 12.392 4.585 ( 1.075 4.499 -0.775) 4.690 4.613 ( -1.508 4.209 -0.916) 4.564 4.694 ( 1.759 -6.310 -3.513) 7.433 4.734 ( -1.783 -7.358 -3.645) 8.403 5.226 ( 4.396 3.496 2.870) 6.308 5.229 ( 4.774 3.259 2.856) 6.448 5.337 ( -6.255 3.996 3.945) 8.405 5.347 ( -6.727 3.001 3.509) 8.159 5.782 ( 3.544 4.721 0.553) 5.929 5.812 ( 4.289 1.967 0.365) 4.733 5.863 ( -4.308 5.958 -2.223) 7.681 5.906 ( -4.792 1.904 -3.028) 5.980 6.314 ( 3.776 5.386 -1.138) 6.676 6.323 ( 3.006 4.672 -1.805) 5.842 6.413 ( -1.061 0.673 -0.005) 1.256 6.414 ( -1.111 0.270 0.874) 1.439 6.469 ( 2.356 6.583 0.545) 7.013 6.501 ( 0.618 4.699 -0.958) 4.836 6.536 ( -0.635 2.587 0.880) 2.806 6.561 ( -1.583 1.527 -0.004) 2.200 8.132 ( 0.199 4.772 0.463) 4.798 8.141 ( -0.856 5.147 0.370) 5.231 8.220 ( 1.055 -3.381 -0.170) 3.546 8.243 ( -1.296 -4.132 -0.780) 4.401 9.112 ( 7.262 8.374 0.645) 11.103 9.144 ( 6.341 5.645 -0.600) 8.511 9.191 ( 3.536 1.636 0.163) 3.900 9.215 ( 3.505 -1.388 -0.682) 3.831 9.785 ( 3.714 -1.411 2.080) 4.485 9.802 ( 2.308 -3.398 1.841) 4.502 9.921 ( -3.883 -3.322 5.104) 7.223 9.950 ( -6.532 -3.920 5.153) 9.197 9.992 ( 3.933 5.234 -0.842) 6.600 10.113 ( -9.465 8.632 -2.059) 12.974 10.212 ( -0.429 -13.676 -1.656) 13.782 10.340 ( -11.729 -12.983 -2.863) 17.729 11.006 ( 6.353 13.308 -0.467) 14.754 11.097 ( -2.083 11.174 -3.699) 11.953 11.281 ( 2.487 -8.392 -3.127) 9.295 11.302 ( -0.122 -5.284 -3.994) 6.625 11.580 ( 0.216 5.829 1.079) 5.932 11.599 ( -2.170 5.667 0.337) 6.078 11.769 ( 0.543 -5.304 -0.470) 5.352 11.773 ( 0.971 -8.887 -0.960) 8.991 11.978 ( 1.940 2.762 2.476) 4.187 12.036 ( -3.603 -1.013 6.949) 7.893 12.100 ( 1.094 -6.270 3.404) 7.218 12.190 ( -7.060 -10.687 3.246) 13.213 12.915 ( 10.634 3.339 0.283) 11.150 12.951 ( 10.554 -0.143 -1.198) 10.623 13.140 ( -9.803 2.670 0.839) 10.194 13.167 ( -6.028 0.552 -0.630) 6.086 13.231 ( 2.925 4.495 0.823) 5.425 13.340 ( 6.004 -6.273 -3.075) 9.212 13.372 ( -6.638 4.950 -1.223) 8.370 13.474 ( -6.408 -5.306 -4.094) 9.272 16.010 ( 2.353 2.395 -2.671) 4.290 16.031 ( 0.463 1.002 -3.185) 3.371 16.109 ( -1.763 -3.586 -0.463) 4.022 16.120 ( -2.653 -4.466 -1.515) 5.411 16.499 ( 4.763 1.936 2.145) 5.571 16.551 ( 3.791 -2.546 0.248) 4.573 16.581 ( -1.794 0.928 3.585) 4.115 16.628 ( -2.366 -3.069 1.532) 4.167 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.000 0.000 -24.465) 24.465 1.156 ( 0.000 0.000 24.465) 24.465 1.195 ( 0.000 0.000 -23.953) 23.953 1.195 ( 0.000 0.000 23.953) 23.953 2.099 ( 0.000 0.000 -32.105) 32.105 2.099 ( 0.000 0.000 32.105) 32.105 2.152 ( 0.000 0.000 -5.035) 5.035 2.152 ( 0.000 0.000 5.035) 5.035 2.482 ( 0.000 0.000 -1.935) 1.935 2.482 ( 0.000 0.000 1.935) 1.935 2.528 ( 0.000 0.000 -9.192) 9.192 2.528 ( 0.000 0.000 9.192) 9.192 2.651 ( 0.000 0.000 -6.342) 6.342 2.651 ( 0.000 0.000 6.342) 6.342 2.701 ( 0.000 0.000 -1.632) 1.632 2.701 ( 0.000 0.000 1.632) 1.632 2.735 ( 0.000 0.000 -0.720) 0.720 2.735 ( 0.000 0.000 0.720) 0.720 2.797 ( 0.000 0.000 -5.183) 5.183 2.797 ( 0.000 0.000 5.183) 5.183 3.165 ( 0.000 0.000 -3.821) 3.821 3.165 ( 0.000 0.000 3.821) 3.821 3.881 ( 0.000 0.000 -3.674) 3.674 3.881 ( 0.000 0.000 3.674) 3.674 4.117 ( 0.000 0.000 -10.901) 10.901 4.117 ( 0.000 0.000 10.901) 10.901 4.610 ( 0.000 0.000 -12.583) 12.583 4.610 ( 0.000 0.000 12.583) 12.583 4.925 ( 0.000 0.000 -12.499) 12.499 4.925 ( 0.000 0.000 12.499) 12.499 5.285 ( 0.000 0.000 -9.628) 9.628 5.285 ( 0.000 0.000 9.628) 9.628 5.656 ( 0.000 0.000 -3.227) 3.227 5.656 ( 0.000 0.000 3.227) 3.227 5.813 ( 0.000 0.000 -0.949) 0.949 5.813 ( 0.000 0.000 0.949) 0.949 6.063 ( 0.000 0.000 -5.668) 5.668 6.063 ( 0.000 0.000 5.668) 5.668 7.038 ( 0.000 0.000 -5.932) 5.932 7.038 ( 0.000 0.000 5.932) 5.932 7.936 ( 0.000 0.000 -8.903) 8.903 7.936 ( 0.000 0.000 8.903) 8.903 8.252 ( 0.000 0.000 -7.939) 7.939 8.252 ( 0.000 0.000 7.939) 7.939 8.399 ( 0.000 0.000 -10.004) 10.004 8.399 ( 0.000 0.000 10.004) 10.004 8.607 ( 0.000 0.000 -0.084) 0.084 8.607 ( 0.000 0.000 0.084) 0.084 8.938 ( 0.000 0.000 -4.438) 4.438 8.938 ( 0.000 0.000 4.438) 4.438 9.537 ( 0.000 0.000 -2.895) 2.895 9.537 ( 0.000 0.000 2.895) 2.895 9.803 ( 0.000 0.000 -8.523) 8.523 9.803 ( 0.000 0.000 8.523) 8.523 10.445 ( 0.000 0.000 -1.559) 1.559 10.445 ( 0.000 0.000 1.559) 1.559 10.578 ( 0.000 0.000 -14.295) 14.295 10.578 ( 0.000 0.000 14.295) 14.295 11.075 ( 0.000 0.000 -9.692) 9.692 11.075 ( 0.000 0.000 9.692) 9.692 11.201 ( 0.000 0.000 -1.226) 1.226 11.201 ( 0.000 0.000 1.226) 1.226 11.460 ( 0.000 0.000 -0.169) 0.169 11.460 ( 0.000 0.000 0.169) 0.169 12.760 ( 0.000 0.000 -9.770) 9.770 12.760 ( 0.000 0.000 9.770) 9.770 12.794 ( 0.000 0.000 -0.659) 0.659 12.794 ( 0.000 0.000 0.659) 0.659 12.817 ( 0.000 0.000 -0.319) 0.319 12.817 ( 0.000 0.000 0.319) 0.319 13.052 ( 0.000 0.000 -3.720) 3.720 13.052 ( 0.000 0.000 3.720) 3.720 14.029 ( 0.000 0.000 -2.026) 2.026 14.029 ( 0.000 0.000 2.026) 2.026 14.303 ( 0.000 0.000 -4.199) 4.199 14.303 ( 0.000 0.000 4.199) 4.199 15.955 ( 0.000 0.000 -1.807) 1.807 15.955 ( 0.000 0.000 1.807) 1.807 16.455 ( 0.000 0.000 -0.649) 0.649 16.455 ( 0.000 0.000 0.649) 0.649 17.875 ( 0.000 0.000 -6.590) 6.590 17.875 ( 0.000 0.000 6.590) 6.590 18.414 ( 0.000 0.000 -3.379) 3.379 18.414 ( 0.000 0.000 3.379) 3.379 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 9.324 0.000 -21.036) 23.010 1.295 ( 9.324 0.000 21.036) 23.010 1.317 ( 14.332 0.000 -20.370) 24.906 1.317 ( 14.332 0.000 20.370) 24.906 2.054 ( -9.020 0.000 -6.210) 10.951 2.054 ( -9.020 0.000 6.210) 10.951 2.194 ( 7.967 0.000 -22.784) 24.137 2.194 ( 7.967 0.000 22.784) 24.137 2.397 ( -10.766 0.000 -10.451) 15.004 2.397 ( -10.766 0.000 10.451) 15.004 2.493 ( 0.999 0.000 -0.366) 1.064 2.493 ( 0.999 0.000 0.366) 1.064 2.604 ( -2.555 0.000 -2.131) 3.327 2.604 ( -2.555 0.000 2.131) 3.327 2.816 ( 5.416 0.000 -3.426) 6.409 2.816 ( 5.416 0.000 3.426) 6.409 2.838 ( 5.005 0.000 -8.906) 10.216 2.838 ( 5.005 0.000 8.906) 10.216 2.860 ( 12.878 0.000 -5.184) 13.882 2.860 ( 12.878 0.000 5.184) 13.882 3.149 ( -1.506 0.000 -3.534) 3.842 3.149 ( -1.506 0.000 3.534) 3.842 3.783 ( -7.685 0.000 -10.486) 13.001 3.783 ( -7.685 0.000 10.486) 13.001 4.105 ( -5.059 0.000 -14.140) 15.018 4.105 ( -5.059 0.000 14.140) 15.018 4.407 ( -12.823 0.000 -15.538) 20.146 4.407 ( -12.823 0.000 15.538) 20.146 5.018 ( 3.108 0.000 -4.868) 5.776 5.018 ( 3.108 0.000 4.868) 5.776 5.268 ( -0.887 0.000 -8.905) 8.949 5.268 ( -0.887 0.000 8.905) 8.949 5.639 ( -1.034 0.000 -2.281) 2.504 5.639 ( -1.034 0.000 2.281) 2.504 5.874 ( 5.889 0.000 -1.008) 5.975 5.874 ( 5.889 0.000 1.008) 5.975 6.135 ( 6.525 0.000 -7.999) 10.323 6.135 ( 6.525 0.000 7.999) 10.323 6.984 ( -5.157 0.000 -6.417) 8.233 6.984 ( -5.157 0.000 6.417) 8.233 7.937 ( 0.098 0.000 -7.780) 7.780 7.937 ( 0.098 0.000 7.780) 7.780 8.216 ( -2.908 0.000 -6.811) 7.405 8.216 ( -2.908 0.000 6.811) 7.405 8.436 ( 0.928 0.000 -4.945) 5.031 8.436 ( 0.928 0.000 4.945) 5.031 8.606 ( 1.606 0.000 -2.554) 3.017 8.606 ( 1.606 0.000 2.554) 3.017 9.014 ( 6.816 0.000 -4.083) 7.946 9.014 ( 6.816 0.000 4.083) 7.946 9.495 ( -4.158 0.000 -3.030) 5.145 9.495 ( -4.158 0.000 3.030) 5.145 9.926 ( 11.051 0.000 -6.271) 12.707 9.926 ( 11.051 0.000 6.271) 12.707 10.445 ( 0.010 0.000 -1.247) 1.247 10.445 ( 0.010 0.000 1.247) 1.247 10.497 ( -5.767 0.000 -8.381) 10.173 10.497 ( -5.767 0.000 8.381) 10.173 11.202 ( 0.133 0.000 -0.991) 1.000 11.202 ( 0.133 0.000 0.991) 1.000 11.229 ( 12.123 0.000 -2.223) 12.325 11.229 ( 12.123 0.000 2.223) 12.325 11.480 ( 1.622 0.000 -2.633) 3.092 11.480 ( 1.622 0.000 2.633) 3.092 12.627 ( -16.249 0.000 -8.782) 18.470 12.627 ( -16.249 0.000 8.782) 18.470 12.795 ( 0.054 0.000 -0.565) 0.568 12.795 ( 0.054 0.000 0.565) 0.568 12.816 ( -0.080 0.000 -0.292) 0.303 12.816 ( -0.080 0.000 0.292) 0.303 12.926 ( -5.782 0.000 -1.922) 6.093 12.926 ( -5.782 0.000 1.922) 6.093 13.993 ( -2.811 0.000 -1.832) 3.355 13.993 ( -2.811 0.000 1.832) 3.355 14.319 ( 1.228 0.000 -3.473) 3.683 14.319 ( 1.228 0.000 3.473) 3.683 16.048 ( 7.724 0.000 -2.937) 8.264 16.048 ( 7.724 0.000 2.937) 8.264 16.499 ( 3.240 0.000 -2.630) 4.173 16.499 ( 3.240 0.000 2.630) 4.173 17.867 ( -0.836 0.000 -6.231) 6.287 17.867 ( -0.836 0.000 6.231) 6.287 18.301 ( -8.897 0.000 -1.363) 9.000 18.301 ( -8.897 0.000 1.363) 9.000 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 13.338 0.000 -14.902) 19.999 1.534 ( 13.338 0.000 14.902) 19.999 1.656 ( 17.924 0.000 -14.566) 23.096 1.656 ( 17.924 0.000 14.566) 23.096 1.824 ( -13.000 0.000 -9.559) 16.136 1.824 ( -13.000 0.000 9.559) 16.136 2.043 ( -17.093 0.000 -12.567) 21.216 2.043 ( -17.093 0.000 12.567) 21.216 2.464 ( 9.363 0.000 -18.809) 21.010 2.464 ( 9.363 0.000 18.809) 21.010 2.516 ( 1.064 0.000 -1.664) 1.975 2.516 ( 1.064 0.000 1.664) 1.975 2.564 ( -1.420 0.000 -0.850) 1.655 2.564 ( -1.420 0.000 0.850) 1.655 2.909 ( 3.050 0.000 -1.972) 3.633 2.909 ( 3.050 0.000 1.972) 3.633 2.955 ( 4.610 0.000 -7.644) 8.927 2.955 ( 4.610 0.000 7.644) 8.927 3.110 ( 8.785 0.000 -9.350) 12.829 3.110 ( 8.785 0.000 9.350) 12.829 3.114 ( -1.517 0.000 -1.964) 2.482 3.114 ( -1.517 0.000 1.964) 2.482 3.614 ( -7.385 0.000 -8.013) 10.897 3.614 ( -7.385 0.000 8.013) 10.897 3.935 ( -6.856 0.000 -9.561) 11.765 3.935 ( -6.856 0.000 9.561) 11.765 4.207 ( -6.629 0.000 -7.272) 9.840 4.207 ( -6.629 0.000 7.272) 9.840 5.032 ( -0.201 0.000 -3.419) 3.425 5.032 ( -0.201 0.000 3.419) 3.425 5.246 ( -1.007 0.000 -2.002) 2.241 5.246 ( -1.007 0.000 2.002) 2.241 5.648 ( 1.115 0.000 -1.357) 1.757 5.648 ( 1.115 0.000 1.357) 1.757 5.972 ( 2.589 0.000 -1.087) 2.808 5.972 ( 2.589 0.000 1.087) 2.808 6.291 ( 6.801 0.000 -5.559) 8.784 6.291 ( 6.801 0.000 5.559) 8.784 6.863 ( -5.178 0.000 -4.904) 7.132 6.863 ( -5.178 0.000 4.904) 7.132 7.939 ( 0.085 0.000 -3.436) 3.437 7.939 ( 0.085 0.000 3.436) 3.437 8.165 ( -1.547 0.000 -2.998) 3.373 8.165 ( -1.547 0.000 2.998) 3.373 8.404 ( -2.041 0.000 -2.489) 3.218 8.404 ( -2.041 0.000 2.489) 3.218 8.673 ( 2.844 0.000 -2.254) 3.629 8.673 ( 2.844 0.000 2.254) 3.629 9.172 ( 7.539 0.000 -3.178) 8.181 9.172 ( 7.539 0.000 3.178) 8.181 9.383 ( -6.170 0.000 -2.847) 6.796 9.383 ( -6.170 0.000 2.847) 6.796 10.169 ( 10.533 0.000 -0.507) 10.545 10.169 ( 10.533 0.000 0.507) 10.545 10.386 ( -5.222 0.000 -3.469) 6.270 10.386 ( -5.222 0.000 3.469) 6.270 10.445 ( 0.007 0.000 -0.468) 0.468 10.445 ( 0.007 0.000 0.468) 0.468 11.205 ( 0.082 0.000 -0.378) 0.387 11.205 ( 0.082 0.000 0.378) 0.387 11.418 ( 2.936 0.000 -7.587) 8.136 11.418 ( 2.936 0.000 7.587) 8.136 11.561 ( 8.100 0.000 -5.520) 9.802 11.561 ( 8.100 0.000 5.520) 9.802 12.225 ( -17.031 0.000 -2.848) 17.268 12.225 ( -17.031 0.000 2.848) 17.268 12.796 ( 0.039 0.000 -0.243) 0.246 12.796 ( 0.039 0.000 0.243) 0.246 12.814 ( -0.056 0.000 -0.139) 0.150 12.814 ( -0.056 0.000 0.139) 0.150 12.884 ( -0.247 0.000 -0.993) 1.023 12.884 ( -0.247 0.000 0.993) 1.023 13.944 ( -1.520 0.000 -0.660) 1.658 13.944 ( -1.520 0.000 0.660) 1.658 14.339 ( 0.540 0.000 -1.281) 1.390 14.339 ( 0.540 0.000 1.281) 1.390 16.195 ( 5.105 0.000 -2.021) 5.490 16.195 ( 5.105 0.000 2.021) 5.490 16.541 ( 0.679 0.000 -1.868) 1.988 16.541 ( 0.679 0.000 1.868) 1.988 17.843 ( -1.093 0.000 -3.058) 3.247 17.843 ( -1.093 0.000 3.058) 3.247 18.156 ( -4.015 0.000 -1.601) 4.323 18.156 ( -4.015 0.000 1.601) 4.323 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.000 9.548 -21.337) 23.376 1.254 ( 0.000 9.548 21.337) 23.376 1.383 ( 0.000 15.368 -22.101) 26.919 1.383 ( 0.000 15.368 22.101) 26.919 2.253 ( 0.000 17.507 -14.203) 22.544 2.253 ( 0.000 17.507 14.203) 22.544 2.341 ( 0.000 11.816 -6.606) 13.537 2.341 ( 0.000 11.816 6.606) 13.537 2.542 ( 0.000 7.786 -0.112) 7.787 2.542 ( 0.000 7.786 0.112) 7.787 2.603 ( 0.000 8.454 -4.612) 9.630 2.603 ( 0.000 8.454 4.612) 9.630 2.695 ( 0.000 2.291 -5.848) 6.281 2.695 ( 0.000 2.291 5.848) 6.281 2.803 ( 0.000 9.764 -5.190) 11.057 2.803 ( 0.000 9.764 5.190) 11.057 2.858 ( 0.000 13.902 -0.327) 13.906 2.858 ( 0.000 13.902 0.327) 13.906 2.949 ( 0.000 16.860 -1.399) 16.918 2.949 ( 0.000 16.860 1.399) 16.918 3.344 ( 0.000 16.865 -4.032) 17.340 3.344 ( 0.000 16.865 4.032) 17.340 3.879 ( 0.000 0.235 -3.636) 3.643 3.879 ( 0.000 0.235 3.636) 3.643 4.113 ( 0.000 -0.187 -10.219) 10.220 4.113 ( 0.000 -0.187 10.219) 10.220 4.595 ( 0.000 -1.354 -13.461) 13.529 4.595 ( 0.000 -1.354 13.461) 13.529 4.914 ( 0.000 -1.036 -11.791) 11.836 4.914 ( 0.000 -1.036 11.791) 11.836 5.243 ( 0.000 -3.880 -7.060) 8.056 5.243 ( 0.000 -3.880 7.060) 8.056 5.640 ( 0.000 -1.614 -3.625) 3.968 5.640 ( 0.000 -1.614 3.625) 3.968 5.797 ( 0.000 -1.067 -0.051) 1.069 5.797 ( 0.000 -1.067 0.051) 1.069 6.044 ( 0.000 -1.666 -4.483) 4.782 6.044 ( 0.000 -1.666 4.483) 4.782 6.911 ( 0.000 -10.105 -4.968) 11.260 6.911 ( 0.000 -10.105 4.968) 11.260 8.063 ( 0.000 9.116 -4.372) 10.110 8.063 ( 0.000 9.116 4.372) 10.110 8.328 ( 0.000 -1.764 -7.474) 7.679 8.328 ( 0.000 -1.764 7.474) 7.679 8.459 ( 0.000 12.588 -8.313) 15.085 8.459 ( 0.000 12.588 8.313) 15.085 8.579 ( 0.000 -0.960 -0.083) 0.964 8.579 ( 0.000 -0.960 0.083) 0.964 9.126 ( 0.000 16.954 -3.909) 17.399 9.126 ( 0.000 16.954 3.909) 17.399 9.660 ( 0.000 11.464 -2.812) 11.803 9.660 ( 0.000 11.464 2.812) 11.803 9.827 ( 0.000 2.590 -10.100) 10.427 9.827 ( 0.000 2.590 10.100) 10.427 10.378 ( 0.000 -4.771 -5.600) 7.357 10.378 ( 0.000 -4.771 5.600) 7.357 10.662 ( 0.000 5.743 -10.308) 11.800 10.662 ( 0.000 5.743 10.308) 11.800 11.018 ( 0.000 -3.727 -7.374) 8.262 11.018 ( 0.000 -3.727 7.374) 8.262 11.158 ( 0.000 -2.255 -1.396) 2.652 11.158 ( 0.000 -2.255 1.396) 2.652 11.610 ( 0.000 10.620 -2.116) 10.829 11.610 ( 0.000 10.620 2.116) 10.829 12.567 ( 0.000 -17.532 -0.129) 17.532 12.567 ( 0.000 -17.532 0.129) 17.532 12.763 ( 0.000 0.085 -10.082) 10.083 12.763 ( 0.000 0.085 10.082) 10.083 12.792 ( 0.000 -1.506 -1.074) 1.850 12.792 ( 0.000 -1.506 1.074) 1.850 13.156 ( 0.000 7.277 -3.954) 8.281 13.156 ( 0.000 7.277 3.954) 8.281 14.016 ( 0.000 -1.887 -0.383) 1.925 14.016 ( 0.000 -1.887 0.383) 1.925 14.227 ( 0.000 -7.483 -3.534) 8.276 14.227 ( 0.000 -7.483 3.534) 8.276 16.039 ( 0.000 6.099 -0.521) 6.121 16.039 ( 0.000 6.099 0.521) 6.121 16.440 ( 0.000 -1.317 -0.500) 1.409 16.440 ( 0.000 -1.317 0.500) 1.409 17.789 ( 0.000 -8.429 -5.893) 10.285 17.789 ( 0.000 -8.429 5.893) 10.285 18.256 ( 0.000 -14.651 -0.413) 14.657 18.256 ( 0.000 -14.651 0.413) 14.657 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 11.124 8.263 -19.101) 23.598 1.374 ( 11.124 8.263 19.101) 23.598 1.492 ( 10.163 13.912 -20.034) 26.424 1.492 ( 10.163 13.912 20.034) 26.424 2.209 ( -8.617 12.810 -3.494) 15.829 2.209 ( -8.617 12.810 3.494) 15.829 2.318 ( -1.039 10.100 -10.620) 14.693 2.318 ( -1.039 10.100 10.620) 14.693 2.427 ( -4.495 9.081 -18.905) 21.449 2.427 ( -4.495 9.081 18.905) 21.449 2.666 ( 2.163 13.039 -4.695) 14.026 2.666 ( 2.163 13.039 4.695) 14.026 2.755 ( -1.315 12.553 -1.189) 12.677 2.755 ( -1.315 12.553 1.189) 12.677 2.856 ( 12.183 4.510 -6.085) 14.346 2.856 ( 12.183 4.510 6.085) 14.346 2.910 ( 5.873 9.898 -3.756) 12.106 2.910 ( 5.873 9.898 3.756) 12.106 3.012 ( 4.467 15.910 -3.171) 16.826 3.012 ( 4.467 15.910 3.171) 16.826 3.331 ( -1.235 16.933 -3.586) 17.352 3.331 ( -1.235 16.933 3.586) 17.352 3.787 ( -7.300 0.630 -10.177) 12.541 3.787 ( -7.300 0.630 10.177) 12.541 4.101 ( -4.555 0.018 -12.953) 13.731 4.101 ( -4.555 0.018 12.953) 13.731 4.396 ( -12.913 -0.810 -15.062) 19.856 4.396 ( -12.913 -0.810 15.062) 19.856 5.003 ( 3.207 -1.488 -4.914) 6.053 5.003 ( 3.207 -1.488 4.914) 6.053 5.233 ( -0.627 -3.077 -8.008) 8.602 5.233 ( -0.627 -3.077 8.008) 8.602 5.599 ( -1.583 -3.635 -1.528) 4.249 5.599 ( -1.583 -3.635 1.528) 4.249 5.860 ( 4.618 -1.355 -1.652) 5.088 5.860 ( 4.618 -1.355 1.652) 5.088 6.118 ( 6.826 -1.316 -6.919) 9.808 6.118 ( 6.826 -1.316 6.919) 9.808 6.869 ( -4.137 -9.338 -6.794) 12.266 6.869 ( -4.137 -9.338 6.794) 12.266 8.070 ( 0.943 9.485 -3.980) 10.329 8.070 ( 0.943 9.485 3.980) 10.329 8.314 ( -3.175 3.741 -1.949) 5.279 8.314 ( -3.175 3.741 1.949) 5.279 8.454 ( 1.247 5.156 -3.824) 6.540 8.454 ( 1.247 5.156 3.824) 6.540 8.621 ( 2.972 3.034 -3.273) 5.362 8.621 ( 2.972 3.034 3.273) 5.362 9.174 ( 4.750 15.216 -3.735) 16.372 9.174 ( 4.750 15.216 3.735) 16.372 9.612 ( -4.441 10.859 -2.745) 12.049 9.612 ( -4.441 10.859 2.745) 12.049 9.935 ( 9.823 1.388 -6.630) 11.932 9.935 ( 9.823 1.388 6.630) 11.932 10.382 ( -0.119 -3.491 -4.913) 6.028 10.382 ( -0.119 -3.491 4.913) 6.028 10.574 ( -5.128 4.429 -4.219) 7.982 10.574 ( -5.128 4.429 4.219) 7.982 11.116 ( 2.229 -4.862 -1.459) 5.544 11.116 ( 2.229 -4.862 1.459) 5.544 11.233 ( 11.271 -0.463 -2.794) 11.621 11.233 ( 11.271 -0.463 2.794) 11.621 11.585 ( -2.430 7.582 -2.907) 8.476 11.585 ( -2.430 7.582 2.907) 8.476 12.527 ( -5.056 -16.565 -1.951) 17.429 12.527 ( -5.056 -16.565 1.951) 17.429 12.621 ( -13.476 -1.767 -9.454) 16.556 12.621 ( -13.476 -1.767 9.454) 16.556 12.799 ( 0.223 -0.838 -2.213) 2.377 12.799 ( 0.223 -0.838 2.213) 2.377 13.097 ( -1.894 9.694 -0.917) 9.920 13.097 ( -1.894 9.694 0.917) 9.920 13.978 ( -2.812 -2.351 -1.583) 3.992 13.978 ( -2.812 -2.351 1.583) 3.992 14.265 ( 2.461 -5.737 -2.856) 6.865 14.265 ( 2.461 -5.737 2.856) 6.865 16.100 ( 5.407 3.837 -2.597) 7.121 16.100 ( 5.407 3.837 2.597) 7.121 16.485 ( 3.367 -1.259 -2.718) 4.507 16.485 ( 3.367 -1.259 2.718) 4.507 17.780 ( -1.017 -8.591 -5.534) 10.269 17.780 ( -1.017 -8.591 5.534) 10.269 18.170 ( -6.836 -12.420 -1.654) 14.273 18.170 ( -6.836 -12.420 1.654) 14.273 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 14.671 8.459 -9.710) 19.521 1.648 ( 14.671 8.459 9.710) 19.521 1.748 ( 13.390 9.369 -12.603) 20.638 1.748 ( 13.390 9.369 12.603) 20.638 1.979 ( -12.024 12.058 -5.319) 17.840 1.979 ( -12.024 12.058 5.319) 17.840 2.097 ( -15.043 6.897 -8.494) 18.601 2.097 ( -15.043 6.897 8.494) 18.601 2.508 ( 4.827 10.509 -7.724) 13.907 2.508 ( 4.827 10.509 7.724) 13.907 2.688 ( 0.003 12.357 -1.470) 12.444 2.688 ( 0.003 12.357 1.470) 12.444 2.754 ( 1.584 16.572 -2.652) 16.857 2.754 ( 1.584 16.572 2.652) 16.857 3.038 ( 3.939 10.986 -5.794) 13.030 3.038 ( 3.939 10.986 5.794) 13.030 3.082 ( 6.262 13.065 -1.768) 14.595 3.082 ( 6.262 13.065 1.768) 14.595 3.123 ( 6.757 4.786 -9.467) 12.577 3.123 ( 6.757 4.786 9.467) 12.577 3.308 ( -0.350 17.217 -2.272) 17.370 3.308 ( -0.350 17.217 2.272) 17.370 3.629 ( -6.981 1.986 -7.781) 10.641 3.629 ( -6.981 1.986 7.781) 10.641 3.937 ( -7.151 0.826 -8.974) 11.504 3.937 ( -7.151 0.826 8.974) 11.504 4.194 ( -6.559 -1.101 -7.325) 9.894 4.194 ( -6.559 -1.101 7.325) 9.894 5.025 ( 0.212 -0.751 -3.178) 3.273 5.025 ( 0.212 -0.751 3.178) 3.273 5.208 ( -1.317 -3.339 -1.782) 4.007 5.208 ( -1.317 -3.339 1.782) 4.007 5.609 ( 1.324 -3.824 -1.625) 4.361 5.609 ( 1.324 -3.824 1.625) 4.361 5.929 ( 1.772 -3.912 -0.867) 4.381 5.929 ( 1.772 -3.912 0.867) 4.381 6.276 ( 6.689 -1.033 -4.938) 8.378 6.276 ( 6.689 -1.033 4.938) 8.378 6.766 ( -4.682 -8.125 -5.161) 10.704 6.766 ( -4.682 -8.125 5.161) 10.704 8.111 ( 3.223 11.284 -2.298) 11.958 8.111 ( 3.223 11.284 2.298) 11.958 8.215 ( -5.307 4.825 -1.048) 7.248 8.215 ( -5.307 4.825 1.048) 7.248 8.478 ( 0.415 7.433 -1.945) 7.694 8.478 ( 0.415 7.433 1.945) 7.694 8.676 ( 1.978 1.361 -2.268) 3.303 8.676 ( 1.978 1.361 2.268) 3.303 9.300 ( 6.647 12.420 -2.724) 14.348 9.300 ( 6.647 12.420 2.724) 14.348 9.496 ( -6.224 10.961 -2.223) 12.799 9.496 ( -6.224 10.961 2.223) 12.799 10.157 ( 10.042 -0.829 -0.722) 10.102 10.157 ( 10.042 -0.829 0.722) 10.102 10.333 ( -4.879 -2.363 -2.050) 5.796 10.333 ( -4.879 -2.363 2.050) 5.796 10.536 ( 0.813 5.713 -0.230) 5.775 10.536 ( 0.813 5.713 0.230) 5.775 11.125 ( -0.063 -5.766 -0.839) 5.827 11.125 ( -0.063 -5.766 0.839) 5.827 11.451 ( 3.007 1.716 -6.486) 7.352 11.451 ( 3.007 1.716 6.486) 7.352 11.576 ( 6.382 1.128 -4.881) 8.114 11.576 ( 6.382 1.128 4.881) 8.114 12.214 ( -16.443 -1.176 -2.880) 16.735 12.214 ( -16.443 -1.176 2.880) 16.735 12.502 ( -1.724 -15.990 -1.332) 16.138 12.502 ( -1.724 -15.990 1.332) 16.138 12.806 ( 0.298 -0.317 -0.709) 0.832 12.806 ( 0.298 -0.317 0.709) 0.832 13.104 ( 1.032 10.565 -0.256) 10.618 13.104 ( 1.032 10.565 0.256) 10.618 13.930 ( -1.464 -2.187 -0.682) 2.719 13.930 ( -1.464 -2.187 0.682) 2.719 14.298 ( 0.826 -4.600 -1.094) 4.800 14.298 ( 0.826 -4.600 1.094) 4.800 16.211 ( 4.062 1.083 -1.704) 4.536 16.211 ( 4.062 1.083 1.704) 4.536 16.531 ( 0.896 -1.008 -1.838) 2.280 16.531 ( 0.896 -1.008 1.838) 2.280 17.752 ( -1.240 -8.946 -2.633) 9.407 17.752 ( -1.240 -8.946 2.633) 9.407 18.058 ( -3.116 -9.606 -1.366) 10.191 18.058 ( -3.116 -9.606 1.366) 10.191 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.000 13.563 -11.318) 17.665 1.492 ( 0.000 13.563 11.318) 17.665 1.718 ( 0.000 18.115 -13.794) 22.769 1.718 ( 0.000 18.115 13.794) 22.769 2.468 ( 0.000 4.920 -7.676) 9.118 2.468 ( 0.000 4.920 7.676) 9.118 2.609 ( 0.000 5.841 -4.383) 7.302 2.609 ( 0.000 5.841 4.383) 7.302 2.668 ( 0.000 4.405 -2.550) 5.090 2.668 ( 0.000 4.405 2.550) 5.090 2.858 ( 0.000 22.737 -3.500) 23.005 2.858 ( 0.000 22.737 3.500) 23.005 2.990 ( 0.000 27.761 -15.031) 31.570 2.990 ( 0.000 27.761 15.031) 31.570 3.132 ( 0.000 21.663 -2.887) 21.854 3.132 ( 0.000 21.663 2.887) 21.854 3.280 ( 0.000 25.233 -1.415) 25.272 3.280 ( 0.000 25.233 1.415) 25.272 3.350 ( 0.000 22.335 -0.929) 22.354 3.350 ( 0.000 22.335 0.929) 22.354 3.758 ( 0.000 22.177 -7.313) 23.351 3.758 ( 0.000 22.177 7.313) 23.351 3.925 ( 0.000 6.223 -0.191) 6.225 3.925 ( 0.000 6.223 0.191) 6.225 4.125 ( 0.000 2.441 -7.458) 7.847 4.125 ( 0.000 2.441 7.458) 7.847 4.571 ( 0.000 -0.479 -14.239) 14.247 4.571 ( 0.000 -0.479 14.239) 14.247 4.892 ( 0.000 -0.788 -9.524) 9.557 4.892 ( 0.000 -0.788 9.524) 9.557 5.147 ( 0.000 -5.645 -3.260) 6.518 5.147 ( 0.000 -5.645 3.260) 6.518 5.595 ( 0.000 -2.754 -4.243) 5.059 5.595 ( 0.000 -2.754 4.243) 5.059 5.784 ( 0.000 -0.253 -2.953) 2.963 5.784 ( 0.000 -0.253 2.953) 2.963 6.015 ( 0.000 -0.726 -1.862) 1.998 6.015 ( 0.000 -0.726 1.862) 1.998 6.714 ( 0.000 -8.981 -3.137) 9.513 6.714 ( 0.000 -8.981 3.137) 9.513 8.166 ( 0.000 -1.056 -1.131) 1.547 8.166 ( 0.000 -1.056 1.131) 1.547 8.274 ( 0.000 -0.574 -6.878) 6.902 8.274 ( 0.000 -0.574 6.878) 6.902 8.525 ( 0.000 -0.768 -0.334) 0.838 8.525 ( 0.000 -0.768 0.334) 0.838 8.818 ( 0.000 17.094 -2.821) 17.325 8.818 ( 0.000 17.094 2.821) 17.325 9.513 ( 0.000 19.661 -3.021) 19.892 9.513 ( 0.000 19.661 3.021) 19.892 9.900 ( 0.000 9.009 -3.920) 9.824 9.900 ( 0.000 9.009 3.920) 9.824 9.928 ( 0.000 8.450 -6.743) 10.811 9.928 ( 0.000 8.450 6.743) 10.811 10.309 ( 0.000 -0.518 -4.747) 4.775 10.309 ( 0.000 -0.518 4.747) 4.775 10.680 ( 0.000 -4.895 -4.220) 6.463 10.680 ( 0.000 -4.895 4.220) 6.463 11.071 ( 0.000 9.186 -8.988) 12.852 11.071 ( 0.000 9.186 8.988) 12.852 11.114 ( 0.000 -0.366 -4.422) 4.437 11.114 ( 0.000 -0.366 4.422) 4.437 11.789 ( 0.000 6.973 -1.666) 7.169 11.789 ( 0.000 6.973 1.666) 7.169 12.260 ( 0.000 -11.286 -0.641) 11.305 12.260 ( 0.000 -11.286 0.641) 11.305 12.751 ( 0.000 -1.704 -11.918) 12.039 12.751 ( 0.000 -1.704 11.918) 12.039 12.773 ( 0.000 -0.123 -5.109) 5.110 12.773 ( 0.000 -0.123 5.109) 5.110 13.291 ( 0.000 5.645 -4.077) 6.964 13.291 ( 0.000 5.645 4.077) 6.964 13.921 ( 0.000 -8.435 -4.746) 9.678 13.921 ( 0.000 -8.435 4.746) 9.678 14.034 ( 0.000 -10.951 -1.181) 11.015 14.034 ( 0.000 -10.951 1.181) 11.015 16.110 ( 0.000 0.310 -1.491) 1.523 16.110 ( 0.000 0.310 1.491) 1.523 16.417 ( 0.000 -0.822 -3.224) 3.327 16.417 ( 0.000 -0.822 3.224) 3.327 17.557 ( 0.000 -14.453 -4.095) 15.022 17.557 ( 0.000 -14.453 4.095) 15.022 17.896 ( 0.000 -20.585 -2.105) 20.693 17.896 ( 0.000 -20.585 2.105) 20.693 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 9.164 12.297 -12.990) 20.098 1.586 ( 9.164 12.297 12.990) 20.098 1.787 ( 6.611 15.728 -16.554) 23.772 1.787 ( 6.611 15.728 16.554) 23.772 2.369 ( -8.608 5.693 -7.042) 12.494 2.369 ( -8.608 5.693 7.042) 12.494 2.543 ( -7.166 8.842 -5.779) 12.765 2.543 ( -7.166 8.842 5.779) 12.765 2.750 ( 6.112 10.522 -5.889) 13.519 2.750 ( 6.112 10.522 5.889) 13.519 2.907 ( 4.214 18.203 -2.332) 18.829 2.907 ( 4.214 18.203 2.332) 18.829 3.003 ( 2.036 20.523 -10.248) 23.030 3.003 ( 2.036 20.523 10.248) 23.030 3.174 ( 4.346 21.613 -3.711) 22.356 3.174 ( 4.346 21.613 3.711) 22.356 3.292 ( 2.498 25.664 -9.140) 27.357 3.292 ( 2.498 25.664 9.140) 27.357 3.403 ( 3.341 21.496 -2.119) 21.857 3.403 ( 3.341 21.496 2.119) 21.857 3.738 ( -1.709 20.969 -6.036) 21.887 3.738 ( -1.709 20.969 6.036) 21.887 3.843 ( -5.737 7.539 -7.846) 12.301 3.843 ( -5.737 7.539 7.846) 12.301 4.136 ( -1.708 4.758 -9.957) 11.167 4.136 ( -1.708 4.758 9.957) 11.167 4.397 ( -12.366 1.988 -13.842) 18.668 4.397 ( -12.366 1.988 13.842) 18.668 4.961 ( 2.906 -2.604 -4.316) 5.818 4.961 ( 2.906 -2.604 4.316) 5.818 5.166 ( 1.032 -3.439 -5.967) 6.964 5.166 ( 1.032 -3.439 5.967) 6.964 5.512 ( -3.895 -4.746 -1.246) 6.265 5.512 ( -3.895 -4.746 1.246) 6.265 5.826 ( 1.780 -1.945 -3.733) 4.570 5.826 ( 1.780 -1.945 3.733) 4.570 6.102 ( 7.736 -0.017 -4.797) 9.103 6.102 ( 7.736 -0.017 4.797) 9.103 6.683 ( -3.141 -8.647 -6.035) 11.002 6.683 ( -3.141 -8.647 6.035) 11.002 8.178 ( -0.682 0.678 -0.923) 1.333 8.178 ( -0.682 0.678 0.923) 1.333 8.286 ( 3.024 -3.258 -3.736) 5.806 8.286 ( 3.024 -3.258 3.736) 5.806 8.569 ( 3.362 3.626 -0.571) 4.977 8.569 ( 3.362 3.626 0.571) 4.977 8.818 ( -0.435 14.510 -2.981) 14.820 8.818 ( -0.435 14.510 2.981) 14.820 9.541 ( 2.737 19.305 -2.405) 19.646 9.541 ( 2.737 19.305 2.405) 19.646 9.828 ( -2.891 8.095 -2.276) 8.892 9.828 ( -2.891 8.095 2.276) 8.892 10.035 ( 6.217 10.179 -6.680) 13.670 10.035 ( 6.217 10.179 6.680) 13.670 10.334 ( 1.841 -0.870 -4.282) 4.742 10.334 ( 1.841 -0.870 4.282) 4.742 10.608 ( -4.074 -1.898 -1.319) 4.684 10.608 ( -4.074 -1.898 1.319) 4.684 11.083 ( -2.104 0.787 -3.876) 4.480 11.083 ( -2.104 0.787 3.876) 4.480 11.233 ( 12.781 3.152 -4.237) 13.829 11.233 ( 12.781 3.152 4.237) 13.829 11.712 ( -7.160 4.734 -1.744) 8.759 11.712 ( -7.160 4.734 1.744) 8.759 12.238 ( -2.226 -10.459 -1.154) 10.756 12.238 ( -2.226 -10.459 1.154) 10.756 12.599 ( -13.478 -0.734 -9.260) 16.369 12.599 ( -13.478 -0.734 9.260) 16.369 12.797 ( 0.911 0.789 -5.665) 5.792 12.797 ( 0.911 0.789 5.665) 5.792 13.266 ( -0.607 6.952 -1.858) 7.221 13.266 ( -0.607 6.952 1.858) 7.221 13.869 ( -2.991 -8.977 -2.690) 9.837 13.869 ( -2.991 -8.977 2.690) 9.837 14.097 ( 3.509 -10.839 -1.039) 11.440 14.097 ( 3.509 -10.839 1.039) 11.440 16.142 ( 3.099 -0.250 -1.749) 3.568 16.142 ( 3.099 -0.250 1.749) 3.568 16.458 ( 3.092 -1.376 -3.623) 4.957 16.458 ( 3.092 -1.376 3.623) 4.957 17.544 ( -1.364 -14.621 -3.847) 15.180 17.544 ( -1.364 -14.621 3.847) 15.180 17.853 ( -3.429 -18.744 -2.024) 19.162 17.853 ( -3.429 -18.744 2.024) 19.162 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 13.226 9.614 -9.556) 18.939 1.827 ( 13.226 9.614 9.556) 18.939 1.951 ( 6.937 10.144 -15.814) 20.028 1.951 ( 6.937 10.144 15.814) 20.028 2.163 ( -9.883 8.529 -8.358) 15.500 2.163 ( -9.883 8.529 8.358) 15.500 2.344 ( -10.255 14.078 -8.370) 19.324 2.344 ( -10.255 14.078 8.370) 19.324 2.870 ( 4.561 20.025 -3.720) 20.872 2.870 ( 4.561 20.025 3.720) 20.872 2.985 ( 2.820 14.906 -3.817) 15.644 2.985 ( 2.820 14.906 3.817) 15.644 3.029 ( -0.324 13.767 -2.420) 13.982 3.029 ( -0.324 13.767 2.420) 13.982 3.304 ( 7.246 16.409 -1.987) 18.048 3.304 ( 7.246 16.409 1.987) 18.048 3.361 ( 1.856 19.780 -7.716) 21.312 3.361 ( 1.856 19.780 7.716) 21.312 3.434 ( -0.920 16.302 -4.225) 16.866 3.434 ( -0.920 16.302 4.225) 16.866 3.734 ( 1.908 22.684 -3.565) 23.041 3.734 ( 1.908 22.684 3.565) 23.041 3.755 ( -1.574 14.571 -4.870) 15.443 3.755 ( -1.574 14.571 4.870) 15.443 4.028 ( -6.975 11.142 -5.842) 14.384 4.028 ( -6.975 11.142 5.842) 14.384 4.182 ( -7.201 0.967 -8.384) 11.094 4.182 ( -7.201 0.967 8.384) 11.094 5.003 ( 1.887 -1.440 -2.690) 3.588 5.003 ( 1.887 -1.440 2.690) 3.588 5.137 ( -2.837 -3.419 -1.246) 4.614 5.137 ( -2.837 -3.419 1.246) 4.614 5.506 ( 1.559 -6.269 -1.981) 6.757 5.506 ( 1.559 -6.269 1.981) 6.757 5.840 ( 0.051 -4.494 -2.190) 4.999 5.840 ( 0.051 -4.494 2.190) 4.999 6.269 ( 6.846 0.473 -4.329) 8.114 6.269 ( 6.846 0.473 4.329) 8.114 6.597 ( -4.342 -8.267 -5.287) 10.731 6.597 ( -4.342 -8.267 5.287) 10.731 8.151 ( -1.037 -1.935 -0.259) 2.210 8.151 ( -1.037 -1.935 0.259) 2.210 8.359 ( 2.536 2.179 -1.436) 3.639 8.359 ( 2.536 2.179 1.436) 3.639 8.630 ( 2.124 6.440 -0.392) 6.792 8.630 ( 2.124 6.440 0.392) 6.792 8.794 ( -1.374 10.448 -1.633) 10.664 8.794 ( -1.374 10.448 1.633) 10.664 9.616 ( 4.055 17.616 -1.694) 18.156 9.616 ( 4.055 17.616 1.694) 18.156 9.765 ( -3.487 14.264 -0.910) 14.712 9.765 ( -3.487 14.264 0.910) 14.712 10.172 ( 7.194 3.762 -3.705) 8.924 10.172 ( 7.194 3.762 3.705) 8.924 10.309 ( -4.962 -0.066 -1.110) 5.085 10.309 ( -4.962 -0.066 1.110) 5.085 10.621 ( 4.284 2.115 -1.819) 5.112 10.621 ( 4.284 2.115 1.819) 5.112 11.038 ( -1.819 -2.548 -2.130) 3.787 11.038 ( -1.819 -2.548 2.130) 3.787 11.464 ( 2.846 0.217 -4.489) 5.319 11.464 ( 2.846 0.217 4.489) 5.319 11.593 ( 2.288 0.704 -2.672) 3.587 11.593 ( 2.288 0.704 2.672) 3.587 12.161 ( -6.514 -3.887 -4.287) 8.714 12.161 ( -6.514 -3.887 4.287) 8.714 12.311 ( -9.023 -1.805 -4.658) 10.313 12.311 ( -9.023 -1.805 4.658) 10.313 12.818 ( 0.812 1.663 -1.966) 2.700 12.818 ( 0.812 1.663 1.966) 2.700 13.279 ( 0.924 7.321 -0.899) 7.433 13.279 ( 0.924 7.321 0.899) 7.433 13.826 ( -1.149 -8.778 -0.943) 8.903 13.826 ( -1.149 -8.778 0.943) 8.903 14.140 ( 0.925 -11.405 -0.537) 11.455 14.140 ( 0.925 -11.405 0.537) 11.455 16.212 ( 2.697 -1.478 -0.986) 3.229 16.212 ( 2.697 -1.478 0.986) 3.229 16.504 ( 1.129 -1.648 -1.919) 2.770 16.504 ( 1.129 -1.648 1.919) 2.770 17.510 ( -1.434 -14.889 -1.791) 15.064 17.510 ( -1.434 -14.889 1.791) 15.064 17.798 ( -1.507 -16.159 -0.835) 16.251 17.798 ( -1.507 -16.159 0.835) 16.251 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 0.000 13.843 -4.406) 14.527 1.766 ( 0.000 13.843 4.406) 14.527 2.085 ( 0.000 18.456 -6.505) 19.569 2.085 ( 0.000 18.456 6.505) 19.569 2.571 ( 0.000 4.869 -1.973) 5.253 2.571 ( 0.000 4.869 1.973) 5.253 2.651 ( 0.000 1.333 -5.040) 5.213 2.651 ( 0.000 1.333 5.040) 5.213 2.745 ( 0.000 5.263 -5.926) 7.926 2.745 ( 0.000 5.263 5.926) 7.926 3.328 ( 0.000 15.781 -3.819) 16.237 3.328 ( 0.000 15.781 3.819) 16.237 3.494 ( 0.000 19.926 -3.842) 20.293 3.494 ( 0.000 19.926 3.842) 20.293 3.549 ( 0.000 18.978 -5.075) 19.645 3.549 ( 0.000 18.978 5.075) 19.645 3.745 ( 0.000 23.857 -2.644) 24.003 3.745 ( 0.000 23.857 2.644) 24.003 3.854 ( 0.000 26.058 -1.378) 26.095 3.854 ( 0.000 26.058 1.378) 26.095 4.059 ( 0.000 11.430 -2.402) 11.679 4.059 ( 0.000 11.430 2.402) 11.679 4.152 ( 0.000 11.671 -0.739) 11.694 4.152 ( 0.000 11.671 0.739) 11.694 4.340 ( 0.000 19.715 -5.704) 20.523 4.340 ( 0.000 19.715 5.704) 20.523 4.630 ( 0.000 8.941 -9.623) 13.136 4.630 ( 0.000 8.941 9.623) 13.136 4.912 ( 0.000 3.945 -4.634) 6.086 4.912 ( 0.000 3.945 4.634) 6.086 5.031 ( 0.000 -5.602 -0.413) 5.617 5.031 ( 0.000 -5.602 0.413) 5.617 5.548 ( 0.000 -1.141 -3.860) 4.025 5.548 ( 0.000 -1.141 3.860) 4.025 5.781 ( 0.000 -0.111 -5.304) 5.305 5.781 ( 0.000 -0.111 5.304) 5.305 6.024 ( 0.000 1.464 -0.156) 1.472 6.024 ( 0.000 1.464 0.156) 1.472 6.575 ( 0.000 -4.763 -0.134) 4.764 6.575 ( 0.000 -4.763 0.134) 4.764 8.090 ( 0.000 -4.147 -4.123) 5.848 8.090 ( 0.000 -4.147 4.123) 5.848 8.266 ( 0.000 -1.774 -6.956) 7.179 8.266 ( 0.000 -1.774 6.956) 7.179 8.538 ( 0.000 2.197 -1.806) 2.844 8.538 ( 0.000 2.197 1.806) 2.844 9.085 ( 0.000 9.209 -0.942) 9.257 9.085 ( 0.000 9.209 0.942) 9.257 9.797 ( 0.000 6.726 -1.571) 6.907 9.797 ( 0.000 6.726 1.571) 6.907 10.010 ( 0.000 3.509 -8.115) 8.842 10.010 ( 0.000 3.509 8.115) 8.842 10.073 ( 0.000 5.608 -8.734) 10.379 10.073 ( 0.000 5.608 8.734) 10.379 10.393 ( 0.000 5.207 -3.592) 6.325 10.393 ( 0.000 5.207 3.592) 6.325 10.546 ( 0.000 -4.045 -2.974) 5.020 10.546 ( 0.000 -4.045 2.974) 5.020 11.168 ( 0.000 7.807 -4.794) 9.162 11.168 ( 0.000 7.807 4.794) 9.162 11.350 ( 0.000 15.927 -4.052) 16.434 11.350 ( 0.000 15.927 4.052) 16.434 11.888 ( 0.000 3.316 -0.693) 3.388 11.888 ( 0.000 3.316 0.693) 3.388 12.146 ( 0.000 -0.873 -0.186) 0.893 12.146 ( 0.000 -0.873 0.186) 0.893 12.672 ( 0.000 -7.073 -12.152) 14.061 12.672 ( 0.000 -7.073 12.152) 14.061 12.795 ( 0.000 2.476 -5.537) 6.065 12.795 ( 0.000 2.476 5.537) 6.065 13.347 ( 0.000 -0.718 -1.458) 1.626 13.347 ( 0.000 -0.718 1.458) 1.626 13.721 ( 0.000 -9.196 -4.578) 10.272 13.721 ( 0.000 -9.196 4.578) 10.272 13.802 ( 0.000 -13.238 -2.673) 13.505 13.802 ( 0.000 -13.238 2.673) 13.505 16.068 ( 0.000 -3.831 -2.228) 4.432 16.068 ( 0.000 -3.831 2.228) 4.432 16.402 ( 0.000 -0.744 -4.740) 4.798 16.402 ( 0.000 -0.744 4.740) 4.798 17.247 ( 0.000 -16.107 -2.099) 16.243 17.247 ( 0.000 -16.107 2.099) 16.243 17.473 ( 0.000 -21.754 -2.182) 21.863 17.473 ( 0.000 -21.754 2.182) 21.863 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 6.755 12.604 -5.162) 15.203 1.836 ( 6.755 12.604 5.162) 15.203 2.109 ( 2.458 16.333 -8.757) 18.695 2.109 ( 2.458 16.333 8.757) 18.695 2.495 ( -6.265 6.974 -4.241) 10.290 2.495 ( -6.265 6.974 4.241) 10.290 2.655 ( -1.367 3.903 -4.856) 6.378 2.655 ( -1.367 3.903 4.856) 6.378 2.834 ( 7.841 3.396 -6.044) 10.466 2.834 ( 7.841 3.396 6.044) 10.466 3.289 ( -1.839 12.363 -3.634) 13.017 3.289 ( -1.839 12.363 3.634) 13.017 3.477 ( -1.415 22.487 -2.372) 22.656 3.477 ( -1.415 22.487 2.372) 22.656 3.556 ( -0.501 14.349 -4.361) 15.005 3.556 ( -0.501 14.349 4.361) 15.005 3.742 ( -0.687 20.683 -0.874) 20.713 3.742 ( -0.687 20.683 0.874) 20.713 3.857 ( -0.468 23.193 -3.854) 23.516 3.857 ( -0.468 23.193 3.854) 23.516 4.052 ( 0.116 14.510 -6.107) 15.743 4.052 ( 0.116 14.510 6.107) 15.743 4.147 ( 1.040 17.355 -3.404) 17.716 4.147 ( 1.040 17.355 3.404) 17.716 4.339 ( -1.570 16.495 -7.661) 18.255 4.339 ( -1.570 16.495 7.661) 18.255 4.570 ( -4.280 17.014 -7.722) 19.168 4.570 ( -4.280 17.014 7.722) 19.168 4.915 ( 0.966 -1.366 -1.307) 2.123 4.915 ( 0.966 -1.366 1.307) 2.123 5.109 ( 4.544 -1.653 -3.667) 6.068 5.109 ( 4.544 -1.653 3.667) 6.068 5.435 ( -7.122 -1.938 -3.198) 8.044 5.435 ( -7.122 -1.938 3.198) 8.044 5.792 ( -0.308 -1.113 -5.087) 5.217 5.792 ( -0.308 -1.113 5.087) 5.217 6.116 ( 7.887 1.079 -2.374) 8.307 6.116 ( 7.887 1.079 2.374) 8.307 6.547 ( -2.871 -4.711 -4.194) 6.930 6.547 ( -2.871 -4.711 4.194) 6.930 8.130 ( 1.403 -3.859 -3.100) 5.145 8.130 ( 1.403 -3.859 3.100) 5.145 8.235 ( 0.665 -2.149 -5.078) 5.554 8.235 ( 0.665 -2.149 5.078) 5.554 8.627 ( 6.355 2.629 -2.873) 7.453 8.627 ( 6.355 2.629 2.873) 7.453 9.049 ( -3.491 7.773 -0.855) 8.563 9.049 ( -3.491 7.773 0.855) 8.563 9.810 ( 2.337 5.680 -0.404) 6.155 9.810 ( 2.337 5.680 0.404) 6.155 9.976 ( -0.270 8.366 -6.397) 10.535 9.976 ( -0.270 8.366 6.397) 10.535 10.209 ( 7.823 3.629 -4.526) 9.739 10.209 ( 7.823 3.629 4.526) 9.739 10.396 ( 0.735 5.913 -5.495) 8.105 10.396 ( 0.735 5.913 5.495) 8.105 10.529 ( -0.630 -1.954 -4.213) 4.686 10.529 ( -0.630 -1.954 4.213) 4.686 11.123 ( -4.815 4.379 -4.362) 7.835 11.123 ( -4.815 4.379 4.362) 7.835 11.416 ( 6.847 13.369 -2.676) 15.257 11.416 ( 6.847 13.369 2.676) 15.257 11.771 ( -10.552 1.591 -0.747) 10.697 11.771 ( -10.552 1.591 0.747) 10.697 12.137 ( -0.522 -0.212 -1.736) 1.826 12.137 ( -0.522 -0.212 1.736) 1.826 12.579 ( -8.644 -1.996 -9.464) 12.972 12.579 ( -8.644 -1.996 9.464) 12.972 12.836 ( 2.296 3.292 -6.105) 7.306 12.836 ( 2.296 3.292 6.105) 7.306 13.338 ( 0.625 -1.086 -1.157) 1.705 13.338 ( 0.625 -1.086 1.157) 1.705 13.659 ( -3.814 -9.979 -3.933) 11.384 13.659 ( -3.814 -9.979 3.933) 11.384 13.848 ( 2.030 -14.129 -2.001) 14.414 13.848 ( 2.030 -14.129 2.001) 14.414 16.095 ( 2.584 -3.898 -1.936) 5.061 16.095 ( 2.584 -3.898 1.936) 5.061 16.430 ( 2.246 -1.411 -4.371) 5.112 16.430 ( 2.246 -1.411 4.371) 5.112 17.232 ( -1.590 -16.171 -2.186) 16.396 17.232 ( -1.590 -16.171 2.186) 16.396 17.458 ( -1.009 -20.602 -1.530) 20.683 17.458 ( -1.009 -20.602 1.530) 20.683 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 10.003 9.281 -3.998) 14.219 2.015 ( 10.003 9.281 3.998) 14.219 2.152 ( -0.824 10.079 -8.539) 13.235 2.152 ( -0.824 10.079 8.539) 13.235 2.366 ( -4.423 12.165 -5.596) 14.102 2.366 ( -4.423 12.165 5.596) 14.102 2.579 ( -4.481 9.870 -6.443) 12.610 2.579 ( -4.481 9.870 6.443) 12.610 2.995 ( 6.132 1.112 -5.039) 8.014 2.995 ( 6.132 1.112 5.039) 8.014 3.292 ( 0.665 8.236 -2.750) 8.709 3.292 ( 0.665 8.236 2.750) 8.709 3.438 ( -1.053 21.052 -2.054) 21.178 3.438 ( -1.053 21.052 2.054) 21.178 3.531 ( -1.630 8.263 -3.666) 9.185 3.531 ( -1.630 8.263 3.666) 9.185 3.734 ( 0.856 19.804 -1.882) 19.911 3.734 ( 0.856 19.804 1.882) 19.911 3.800 ( -4.621 17.699 -0.989) 18.319 3.800 ( -4.621 17.699 0.989) 18.319 4.084 ( 2.605 18.710 -1.272) 18.934 4.084 ( 2.605 18.710 1.272) 18.934 4.211 ( 2.267 16.628 -5.611) 17.695 4.211 ( 2.267 16.628 5.611) 17.695 4.305 ( 1.654 22.851 -5.429) 23.546 4.305 ( 1.654 22.851 5.429) 23.546 4.456 ( -7.260 25.166 -6.478) 26.981 4.456 ( -7.260 25.166 6.478) 26.981 4.974 ( 4.751 -0.880 -0.813) 4.899 4.974 ( 4.751 -0.880 0.813) 4.899 5.095 ( -5.266 -0.174 -0.238) 5.274 5.095 ( -5.266 -0.174 0.238) 5.274 5.385 ( 1.205 -4.767 -2.011) 5.312 5.385 ( 1.205 -4.767 2.011) 5.312 5.771 ( -1.105 -2.097 -2.740) 3.623 5.771 ( -1.105 -2.097 2.740) 3.623 6.288 ( 8.174 0.697 -4.113) 9.177 6.288 ( 8.174 0.697 4.113) 9.177 6.458 ( -5.737 -4.982 -5.269) 9.247 6.458 ( -5.737 -4.982 5.269) 9.247 8.107 ( -1.371 -2.154 -0.091) 2.555 8.107 ( -1.371 -2.154 0.091) 2.555 8.322 ( 4.351 -3.853 -1.662) 6.044 8.322 ( 4.351 -3.853 1.662) 6.044 8.716 ( 1.715 2.793 -2.466) 4.102 8.716 ( 1.715 2.793 2.466) 4.102 8.977 ( -2.358 6.522 -0.884) 6.992 8.977 ( -2.358 6.522 0.884) 6.992 9.886 ( 3.583 7.785 -1.576) 8.714 9.886 ( 3.583 7.785 1.576) 8.714 9.997 ( 1.440 8.280 -3.775) 9.213 9.997 ( 1.440 8.280 3.775) 9.213 10.270 ( -0.453 2.152 -2.027) 2.991 10.270 ( -0.453 2.152 2.027) 2.991 10.394 ( -1.712 10.985 -0.617) 11.135 10.394 ( -1.712 10.985 0.617) 11.135 10.622 ( 8.390 -0.451 -1.482) 8.532 10.622 ( 8.390 -0.451 1.482) 8.532 11.013 ( -4.757 -0.581 -2.296) 5.313 11.013 ( -4.757 -0.581 2.296) 5.313 11.478 ( -6.360 0.618 -1.516) 6.567 11.478 ( -6.360 0.618 1.516) 6.567 11.642 ( 4.111 5.427 -1.577) 6.988 11.642 ( 4.111 5.427 1.577) 6.988 12.145 ( 1.719 2.855 -3.792) 5.048 12.145 ( 1.719 2.855 3.792) 5.048 12.356 ( -10.684 4.835 -4.066) 12.412 12.356 ( -10.684 4.835 4.066) 12.412 12.872 ( 1.100 3.738 -2.210) 4.480 12.872 ( 1.100 3.738 2.210) 4.480 13.383 ( 2.429 1.960 -0.870) 3.240 13.383 ( 2.429 1.960 0.870) 3.240 13.594 ( -2.214 -13.420 -1.841) 13.725 13.594 ( -2.214 -13.420 1.841) 13.725 13.865 ( 0.062 -15.644 -0.734) 15.661 13.865 ( 0.062 -15.644 0.734) 15.661 16.150 ( 1.972 -4.511 -0.853) 4.996 16.150 ( 1.972 -4.511 0.853) 4.996 16.468 ( 1.140 -1.910 -2.040) 3.018 16.468 ( 1.140 -1.910 2.040) 3.018 17.194 ( -1.505 -16.298 -1.133) 16.406 17.194 ( -1.505 -16.298 1.133) 16.406 17.445 ( -0.258 -18.833 -0.392) 18.838 17.445 ( -0.258 -18.833 0.392) 18.838 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 0.000 12.659 -2.069) 12.827 2.029 ( 0.000 12.659 2.069) 12.827 2.412 ( 0.000 13.218 -3.726) 13.733 2.412 ( 0.000 13.218 3.726) 13.733 2.659 ( 0.000 3.868 -2.693) 4.713 2.659 ( 0.000 3.868 2.693) 4.713 2.679 ( 0.000 3.025 -4.772) 5.650 2.679 ( 0.000 3.025 4.772) 5.650 2.902 ( 0.000 10.130 -4.452) 11.065 2.902 ( 0.000 10.130 4.452) 11.065 3.445 ( 0.000 0.075 -2.221) 2.222 3.445 ( 0.000 0.075 2.221) 2.222 3.712 ( 0.000 4.005 -3.036) 5.026 3.712 ( 0.000 4.005 3.036) 5.026 3.894 ( 0.000 12.883 -4.481) 13.640 3.894 ( 0.000 12.883 4.481) 13.640 4.074 ( 0.000 5.566 -8.658) 10.293 4.074 ( 0.000 5.566 8.658) 10.293 4.203 ( 0.000 3.073 -6.718) 7.387 4.203 ( 0.000 3.073 6.718) 7.387 4.272 ( 0.000 17.316 -3.450) 17.657 4.272 ( 0.000 17.316 3.450) 17.657 4.529 ( 0.000 24.097 -10.190) 26.163 4.529 ( 0.000 24.097 10.190) 26.163 4.721 ( 0.000 15.813 -9.439) 18.416 4.721 ( 0.000 15.813 9.439) 18.416 4.908 ( 0.000 11.871 -1.474) 11.962 4.908 ( 0.000 11.871 1.474) 11.962 4.970 ( 0.000 6.772 -2.599) 7.254 4.970 ( 0.000 6.772 2.599) 7.254 5.103 ( 0.000 14.908 -1.559) 14.989 5.103 ( 0.000 14.908 1.559) 14.989 5.607 ( 0.000 8.580 -1.263) 8.672 5.607 ( 0.000 8.580 1.263) 8.672 5.791 ( 0.000 1.523 -3.910) 4.196 5.791 ( 0.000 1.523 3.910) 4.196 6.072 ( 0.000 3.941 -0.952) 4.054 6.072 ( 0.000 3.941 0.952) 4.054 6.532 ( 0.000 0.081 -3.078) 3.079 6.532 ( 0.000 0.081 3.078) 3.079 8.038 ( 0.000 -0.705 -4.195) 4.254 8.038 ( 0.000 -0.705 4.195) 4.254 8.208 ( 0.000 -3.481 -7.482) 8.252 8.208 ( 0.000 -3.481 7.482) 8.252 8.605 ( 0.000 4.402 -1.775) 4.747 8.605 ( 0.000 4.402 1.775) 4.747 9.188 ( 0.000 1.722 -0.328) 1.753 9.188 ( 0.000 1.722 0.328) 1.753 9.814 ( 0.000 -1.194 -3.302) 3.511 9.814 ( 0.000 -1.194 3.302) 3.511 10.069 ( 0.000 -1.745 -10.644) 10.786 10.069 ( 0.000 -1.745 10.644) 10.786 10.096 ( 0.000 -1.759 -7.394) 7.600 10.096 ( 0.000 -1.759 7.394) 7.600 10.367 ( 0.000 0.527 -0.455) 0.696 10.367 ( 0.000 0.527 0.455) 0.696 10.699 ( 0.000 12.047 -4.145) 12.740 10.699 ( 0.000 12.047 4.145) 12.740 11.346 ( 0.000 8.114 -5.043) 9.553 11.346 ( 0.000 8.114 5.043) 9.553 11.658 ( 0.000 13.606 -0.754) 13.626 11.658 ( 0.000 13.606 0.754) 13.626 11.936 ( 0.000 2.016 -3.767) 4.272 11.936 ( 0.000 2.016 3.767) 4.272 12.185 ( 0.000 3.303 -0.070) 3.304 12.185 ( 0.000 3.303 0.070) 3.304 12.452 ( 0.000 -14.304 -8.962) 16.879 12.452 ( 0.000 -14.304 8.962) 16.879 12.863 ( 0.000 3.700 -0.413) 3.724 12.863 ( 0.000 3.700 0.413) 3.724 13.270 ( 0.000 -6.313 -4.009) 7.479 13.270 ( 0.000 -6.313 4.009) 7.479 13.515 ( 0.000 -14.093 -3.245) 14.462 13.515 ( 0.000 -14.093 3.245) 14.462 13.614 ( 0.000 -2.485 -2.450) 3.490 13.614 ( 0.000 -2.485 2.450) 3.490 15.986 ( 0.000 -3.904 -3.692) 5.374 15.986 ( 0.000 -3.904 3.692) 5.374 16.388 ( 0.000 -0.735 -5.370) 5.420 16.388 ( 0.000 -0.735 5.370) 5.420 16.952 ( 0.000 -13.176 -0.910) 13.207 16.952 ( 0.000 -13.176 0.910) 13.207 17.055 ( 0.000 -20.000 -2.858) 20.203 17.055 ( 0.000 -20.000 2.858) 20.203 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 4.444 11.563 -1.684) 12.501 2.075 ( 4.444 11.563 1.684) 12.501 2.396 ( -1.474 11.619 -4.967) 12.722 2.396 ( -1.474 11.619 4.967) 12.722 2.633 ( -1.577 6.485 -1.561) 6.854 2.633 ( -1.577 6.485 1.561) 6.854 2.725 ( 2.659 4.062 -4.635) 6.712 2.725 ( 2.659 4.062 4.635) 6.712 2.940 ( 3.654 7.684 -4.943) 9.840 2.940 ( 3.654 7.684 4.943) 9.840 3.395 ( -3.273 0.792 -5.265) 6.250 3.395 ( -3.273 0.792 5.265) 6.250 3.662 ( -4.692 3.021 -3.125) 6.396 3.662 ( -4.692 3.021 3.125) 6.396 3.863 ( -3.554 9.271 -5.053) 11.141 3.863 ( -3.554 9.271 5.053) 11.141 4.056 ( -1.208 8.450 -7.290) 11.226 4.056 ( -1.208 8.450 7.290) 11.226 4.213 ( -0.247 14.073 -6.136) 15.355 4.213 ( -0.247 14.073 6.136) 15.355 4.287 ( 2.619 9.522 -3.226) 10.390 4.287 ( 2.619 9.522 3.226) 10.390 4.545 ( 0.729 20.234 -9.014) 22.163 4.545 ( 0.729 20.234 9.014) 22.163 4.744 ( 2.020 19.388 -6.394) 20.514 4.744 ( 2.020 19.388 6.394) 20.514 4.922 ( -1.356 5.972 -1.242) 6.249 4.922 ( -1.356 5.972 1.242) 6.249 4.942 ( 2.349 15.113 -2.508) 15.498 4.942 ( 2.349 15.113 2.508) 15.498 5.166 ( 3.104 9.323 -3.684) 10.494 5.166 ( 3.104 9.323 3.684) 10.494 5.509 ( -6.554 11.316 -4.908) 13.967 5.509 ( -6.554 11.316 4.908) 13.967 5.801 ( -0.341 2.594 -4.125) 4.884 5.801 ( -0.341 2.594 4.125) 4.884 6.141 ( 5.936 2.000 -0.669) 6.299 6.141 ( 5.936 2.000 0.669) 6.299 6.506 ( -2.517 0.275 -3.320) 4.175 6.506 ( -2.517 0.275 3.320) 4.175 8.070 ( 1.680 -1.777 -3.305) 4.112 8.070 ( 1.680 -1.777 3.305) 4.112 8.193 ( 0.476 -1.865 -5.833) 6.142 8.193 ( 0.476 -1.865 5.833) 6.142 8.681 ( 5.744 3.092 -3.705) 7.502 8.681 ( 5.744 3.092 3.705) 7.502 9.140 ( -4.164 2.286 -1.200) 4.899 9.140 ( -4.164 2.286 1.200) 4.899 9.839 ( 3.326 -0.558 -4.209) 5.394 9.839 ( 3.326 -0.558 4.209) 5.394 10.062 ( -0.085 -0.840 -5.178) 5.247 10.062 ( -0.085 -0.840 5.178) 5.247 10.206 ( 7.623 -3.866 -8.989) 12.404 10.206 ( 7.623 -3.866 8.989) 12.404 10.401 ( 4.480 2.284 -1.250) 5.181 10.401 ( 4.480 2.284 1.250) 5.181 10.700 ( -0.136 11.786 -4.528) 12.627 10.700 ( -0.136 11.786 4.528) 12.627 11.225 ( -10.837 4.242 -3.769) 12.232 11.225 ( -10.837 4.242 3.769) 12.232 11.671 ( -0.059 9.931 -1.693) 10.074 11.671 ( -0.059 9.931 1.693) 10.074 11.802 ( -10.063 2.657 -1.312) 10.490 11.802 ( -10.063 2.657 1.312) 10.490 12.197 ( 1.597 5.228 -4.395) 7.014 12.197 ( 1.597 5.228 4.395) 7.014 12.490 ( 1.854 -7.357 -7.663) 10.784 12.490 ( 1.854 -7.357 7.663) 10.784 12.920 ( 4.024 4.490 -1.378) 6.184 12.920 ( 4.024 4.490 1.378) 6.184 13.215 ( -3.212 -8.749 -0.479) 9.333 13.215 ( -3.212 -8.749 0.479) 9.333 13.484 ( -3.238 -12.128 -2.010) 12.713 13.484 ( -3.238 -12.128 2.010) 12.713 13.614 ( -0.146 -5.317 -1.986) 5.678 13.614 ( -0.146 -5.317 1.986) 5.678 16.011 ( 2.158 -4.155 -3.027) 5.576 16.011 ( 2.158 -4.155 3.027) 5.576 16.402 ( 1.232 -1.548 -4.744) 5.140 16.402 ( 1.232 -1.548 4.744) 5.140 16.937 ( -1.717 -13.103 -0.885) 13.245 16.937 ( -1.717 -13.103 0.885) 13.245 17.061 ( 0.822 -19.002 -1.581) 19.085 17.061 ( 0.822 -19.002 1.581) 19.085 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 6.389 8.604 -0.771) 10.744 2.192 ( 6.389 8.604 0.771) 10.744 2.337 ( -4.644 8.430 -3.264) 10.163 2.337 ( -4.644 8.430 3.264) 10.163 2.622 ( 0.465 12.426 -2.720) 12.729 2.622 ( 0.465 12.426 2.720) 12.729 2.745 ( -0.425 6.952 -4.899) 8.515 2.745 ( -0.425 6.952 4.899) 8.515 3.019 ( 2.912 2.227 -2.957) 4.710 3.019 ( 2.912 2.227 2.957) 4.710 3.361 ( -0.404 1.102 -2.504) 2.765 3.361 ( -0.404 1.102 2.504) 2.765 3.585 ( -1.116 2.738 -3.505) 4.586 3.585 ( -1.116 2.738 3.505) 4.586 3.751 ( -5.884 4.626 -4.946) 8.972 3.751 ( -5.884 4.626 4.946) 8.972 4.050 ( 0.354 13.673 -2.773) 13.956 4.050 ( 0.354 13.673 2.773) 13.956 4.189 ( -1.254 20.193 -2.727) 20.415 4.189 ( -1.254 20.193 2.727) 20.415 4.366 ( 3.732 5.918 -5.083) 8.648 4.366 ( 3.732 5.918 5.083) 8.648 4.524 ( -2.318 14.432 -5.439) 15.596 4.524 ( -2.318 14.432 5.439) 15.596 4.812 ( 4.597 21.771 -4.031) 22.614 4.812 ( 4.597 21.771 4.031) 22.614 4.893 ( -2.449 17.375 -2.631) 17.743 4.893 ( -2.449 17.375 2.631) 17.743 5.024 ( 5.290 7.286 -4.384) 10.015 5.024 ( 5.290 7.286 4.384) 10.015 5.146 ( -4.928 5.747 -3.086) 8.175 5.146 ( -4.928 5.747 3.086) 8.175 5.437 ( -0.495 14.008 -2.500) 14.238 5.437 ( -0.495 14.008 2.500) 14.238 5.780 ( -1.018 3.766 -1.938) 4.356 5.780 ( -1.018 3.766 1.938) 4.356 6.267 ( 5.461 -1.567 -0.828) 5.742 6.267 ( 5.461 -1.567 0.828) 5.742 6.437 ( -3.792 1.912 -2.414) 4.885 6.437 ( -3.792 1.912 2.414) 4.885 8.070 ( -0.651 -1.549 -0.448) 1.738 8.070 ( -0.651 -1.549 0.448) 1.738 8.252 ( 3.166 -2.606 -1.966) 4.548 8.252 ( 3.166 -2.606 1.966) 4.548 8.766 ( 1.850 2.842 -3.926) 5.188 8.766 ( 1.850 2.842 3.926) 5.188 9.062 ( -2.409 2.911 -2.457) 4.507 9.062 ( -2.409 2.911 2.457) 4.507 9.950 ( 6.641 -0.692 -5.278) 8.511 9.950 ( 6.641 -0.692 5.278) 8.511 10.047 ( -2.293 -1.425 -5.816) 6.412 10.047 ( -2.293 -1.425 5.816) 6.412 10.297 ( 1.855 0.179 -3.281) 3.773 10.297 ( 1.855 0.179 3.281) 3.773 10.565 ( 7.032 4.148 -6.335) 10.333 10.565 ( 7.032 4.148 6.335) 10.333 10.702 ( 2.240 8.386 -4.851) 9.943 10.702 ( 2.240 8.386 4.851) 9.943 10.999 ( -9.252 -0.937 -1.936) 9.499 10.999 ( -9.252 -0.937 1.936) 9.499 11.489 ( -10.205 1.184 -2.424) 10.556 11.489 ( -10.205 1.184 2.424) 10.556 11.778 ( 2.270 6.524 -0.627) 6.936 11.778 ( 2.270 6.524 0.627) 6.936 12.255 ( 3.600 7.190 -4.352) 9.143 12.255 ( 3.600 7.190 4.352) 9.143 12.464 ( -3.744 4.958 -3.422) 7.093 12.464 ( -3.744 4.958 3.422) 7.093 12.962 ( 0.344 5.084 -1.364) 5.275 12.962 ( 0.344 5.084 1.364) 5.275 13.234 ( 4.518 -14.271 -0.923) 14.998 13.234 ( 4.518 -14.271 0.923) 14.998 13.390 ( -5.343 -11.131 -0.918) 12.382 13.390 ( -5.343 -11.131 0.918) 12.382 13.608 ( -0.284 -6.912 -0.816) 6.965 13.608 ( -0.284 -6.912 0.816) 6.965 16.052 ( 1.373 -4.874 -1.197) 5.203 16.052 ( 1.373 -4.874 1.197) 5.203 16.428 ( 0.943 -2.411 -2.098) 3.332 16.428 ( 0.943 -2.411 2.098) 3.332 16.896 ( -1.570 -13.217 -0.642) 13.325 16.896 ( -1.570 -13.217 0.642) 13.325 17.081 ( 0.749 -17.312 -0.275) 17.330 17.081 ( 0.749 -17.312 0.275) 17.330 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.000 11.179 -1.460) 11.274 2.265 ( 0.000 11.179 1.460) 11.274 2.569 ( 0.000 3.883 -0.643) 3.936 2.569 ( 0.000 3.883 0.643) 3.936 2.683 ( 0.000 0.616 -2.051) 2.141 2.683 ( 0.000 0.616 2.051) 2.141 2.842 ( 0.000 9.701 -1.341) 9.793 2.842 ( 0.000 9.701 1.341) 9.793 3.119 ( 0.000 11.351 -5.437) 12.586 3.119 ( 0.000 11.351 5.437) 12.586 3.418 ( 0.000 -1.529 -2.351) 2.804 3.418 ( 0.000 -1.529 2.351) 2.804 3.736 ( 0.000 -0.472 -2.467) 2.512 3.736 ( 0.000 -0.472 2.467) 2.512 3.985 ( 0.000 -2.203 -3.747) 4.347 3.985 ( 0.000 -2.203 3.747) 4.347 4.075 ( 0.000 -4.054 -7.229) 8.289 4.075 ( 0.000 -4.054 7.229) 8.289 4.226 ( 0.000 0.222 -1.654) 1.669 4.226 ( 0.000 0.222 1.654) 1.669 4.507 ( 0.000 4.696 -3.352) 5.770 4.507 ( 0.000 4.696 3.352) 5.770 4.837 ( 0.000 10.255 -5.963) 11.862 4.837 ( 0.000 10.255 5.963) 11.862 4.902 ( 0.000 -0.699 -1.442) 1.602 4.902 ( 0.000 -0.699 1.442) 1.602 5.101 ( 0.000 18.215 -1.374) 18.267 5.101 ( 0.000 18.215 1.374) 18.267 5.344 ( 0.000 18.423 -2.648) 18.612 5.344 ( 0.000 18.423 2.648) 18.612 5.463 ( 0.000 20.680 -5.562) 21.415 5.463 ( 0.000 20.680 5.562) 21.415 5.840 ( 0.000 3.648 -1.040) 3.793 5.840 ( 0.000 3.648 1.040) 3.793 5.880 ( 0.000 16.798 -3.273) 17.114 5.880 ( 0.000 16.798 3.273) 17.114 6.208 ( 0.000 9.737 -3.150) 10.234 6.208 ( 0.000 9.737 3.150) 10.234 6.548 ( 0.000 0.797 -4.227) 4.301 6.548 ( 0.000 0.797 4.227) 4.301 8.061 ( 0.000 2.432 -3.919) 4.612 8.061 ( 0.000 2.432 3.919) 4.612 8.156 ( 0.000 -0.936 -6.859) 6.923 8.156 ( 0.000 -0.936 6.859) 6.923 8.702 ( 0.000 5.082 -1.854) 5.409 8.702 ( 0.000 5.082 1.854) 5.409 9.174 ( 0.000 -2.586 -0.265) 2.600 9.174 ( 0.000 -2.586 0.265) 2.600 9.818 ( 0.000 1.277 -7.233) 7.345 9.818 ( 0.000 1.277 7.233) 7.345 9.977 ( 0.000 -5.204 -3.747) 6.412 9.977 ( 0.000 -5.204 3.747) 6.412 10.041 ( 0.000 -1.906 -6.952) 7.208 10.041 ( 0.000 -1.906 6.952) 7.208 10.453 ( 0.000 6.014 -2.237) 6.417 10.453 ( 0.000 6.014 2.237) 6.417 10.908 ( 0.000 8.483 -6.282) 10.555 10.908 ( 0.000 8.483 6.282) 10.555 11.430 ( 0.000 -0.507 -5.142) 5.167 11.430 ( 0.000 -0.507 5.142) 5.167 11.831 ( 0.000 2.996 -2.162) 3.695 11.831 ( 0.000 2.996 2.162) 3.695 11.971 ( 0.000 -1.184 -6.879) 6.980 11.971 ( 0.000 -1.184 6.879) 6.980 12.062 ( 0.000 -11.961 -1.413) 12.045 12.062 ( 0.000 -11.961 1.413) 12.045 12.362 ( 0.000 5.887 -0.835) 5.946 12.362 ( 0.000 5.887 0.835) 5.946 12.856 ( 0.000 -8.577 -2.308) 8.882 12.856 ( 0.000 -8.577 2.308) 8.882 13.111 ( 0.000 -5.877 -0.457) 5.895 13.111 ( 0.000 -5.877 0.457) 5.895 13.356 ( 0.000 -1.480 -1.208) 1.911 13.356 ( 0.000 -1.480 1.208) 1.911 13.589 ( 0.000 -0.566 -4.559) 4.594 13.589 ( 0.000 -0.566 4.559) 4.594 15.929 ( 0.000 -1.576 -4.711) 4.967 15.929 ( 0.000 -1.576 4.711) 4.967 16.366 ( 0.000 -1.735 -5.887) 6.137 16.366 ( 0.000 -1.735 5.887) 6.137 16.677 ( 0.000 -15.663 -0.539) 15.672 16.677 ( 0.000 -15.663 0.539) 15.672 16.771 ( 0.000 -7.040 -3.748) 7.975 16.771 ( 0.000 -7.040 3.748) 7.975 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 2.504 10.260 -0.785) 10.591 2.291 ( 2.504 10.260 0.785) 10.591 2.551 ( -2.237 4.744 -1.910) 5.582 2.551 ( -2.237 4.744 1.910) 5.582 2.705 ( 2.557 1.310 -3.316) 4.388 2.705 ( 2.557 1.310 3.316) 4.388 2.855 ( 0.928 7.257 -3.050) 7.926 2.855 ( 0.928 7.257 3.050) 7.926 3.129 ( 0.576 11.014 -4.798) 12.028 3.129 ( 0.576 11.014 4.798) 12.028 3.389 ( -1.479 -0.172 -5.464) 5.663 3.389 ( -1.479 -0.172 5.464) 5.663 3.697 ( -3.751 1.151 -1.293) 4.131 3.697 ( -3.751 1.151 1.293) 4.131 3.896 ( -6.555 -2.357 -4.517) 8.302 3.896 ( -6.555 -2.357 4.517) 8.302 4.134 ( 4.660 -3.206 -8.001) 9.799 4.134 ( 4.660 -3.206 8.001) 9.799 4.265 ( 2.593 -0.675 -3.109) 4.104 4.265 ( 2.593 -0.675 3.109) 4.104 4.504 ( -0.101 5.598 -3.239) 6.468 4.504 ( -0.101 5.598 3.239) 6.468 4.813 ( -3.293 7.845 -5.081) 9.910 4.813 ( -3.293 7.845 5.081) 9.910 4.923 ( 2.854 2.661 -1.750) 4.277 4.923 ( 2.854 2.661 1.750) 4.277 5.112 ( 1.149 14.333 -1.472) 14.454 5.112 ( 1.149 14.333 1.472) 14.454 5.331 ( -0.646 18.911 -2.855) 19.136 5.331 ( -0.646 18.911 2.855) 19.136 5.458 ( -1.362 18.177 -4.779) 18.844 5.458 ( -1.362 18.177 4.779) 18.844 5.819 ( 0.023 14.508 -5.254) 15.430 5.819 ( 0.023 14.508 5.254) 15.430 5.919 ( 1.602 11.381 -4.498) 12.342 5.919 ( 1.602 11.381 4.498) 12.342 6.233 ( 2.494 7.801 -2.908) 8.691 6.233 ( 2.494 7.801 2.908) 8.691 6.526 ( -2.138 0.893 -3.737) 4.397 6.526 ( -2.138 0.893 3.737) 4.397 8.062 ( -0.248 0.667 -1.754) 1.893 8.062 ( -0.248 0.667 1.754) 1.893 8.178 ( 2.362 0.735 -4.265) 4.930 8.178 ( 2.362 0.735 4.265) 4.930 8.755 ( 4.533 4.454 -3.536) 7.272 8.755 ( 4.533 4.454 3.536) 7.272 9.159 ( -1.563 -0.230 -1.884) 2.459 9.159 ( -1.563 -0.230 1.884) 2.459 9.838 ( 1.794 1.121 -6.858) 7.177 9.838 ( 1.794 1.121 6.858) 7.177 9.995 ( 0.862 -4.739 -2.631) 5.488 9.995 ( 0.862 -4.739 2.631) 5.488 10.104 ( 7.072 -4.731 -8.416) 11.967 10.104 ( 7.072 -4.731 8.416) 11.967 10.496 ( 4.073 5.523 -2.658) 7.359 10.496 ( 4.073 5.523 2.658) 7.359 10.889 ( -2.290 6.590 -6.647) 9.636 10.889 ( -2.290 6.590 6.647) 9.636 11.253 ( -13.826 -1.168 -4.379) 14.550 11.253 ( -13.826 -1.168 4.379) 14.550 11.773 ( -7.592 2.440 -1.499) 8.114 11.773 ( -7.592 2.440 1.499) 8.114 11.869 ( -5.306 1.209 -4.062) 6.791 11.869 ( -5.306 1.209 4.062) 6.791 12.199 ( 9.543 -9.002 -6.299) 14.553 12.199 ( 9.543 -9.002 6.299) 14.553 12.411 ( 4.398 4.016 -5.101) 7.841 12.411 ( 4.398 4.016 5.101) 7.841 12.914 ( 4.410 -10.312 -4.289) 12.008 12.914 ( 4.410 -10.312 4.289) 12.008 13.081 ( -2.422 -1.117 -2.465) 3.631 13.081 ( -2.422 -1.117 2.465) 3.631 13.305 ( -4.882 -2.457 -1.917) 5.792 13.305 ( -4.882 -2.457 1.917) 5.792 13.563 ( -1.983 -1.750 -4.393) 5.128 13.563 ( -1.983 -1.750 4.393) 5.128 15.948 ( 1.524 -1.954 -3.648) 4.409 15.948 ( 1.524 -1.954 3.648) 4.409 16.359 ( -0.359 -3.098 -4.559) 5.523 16.359 ( -0.359 -3.098 4.559) 5.523 16.694 ( 0.645 -13.145 -3.533) 13.627 16.694 ( 0.645 -13.145 3.533) 13.627 16.771 ( 0.597 -7.880 -4.410) 9.050 16.771 ( 0.597 -7.880 4.410) 9.050 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 3.322 7.912 -0.198) 8.583 2.355 ( 3.322 7.912 0.198) 8.583 2.483 ( -3.653 6.370 -0.865) 7.394 2.483 ( -3.653 6.370 0.865) 7.394 2.780 ( 4.053 2.789 -4.389) 6.593 2.780 ( 4.053 2.789 4.389) 6.593 2.857 ( -1.186 3.788 -5.027) 6.405 2.857 ( -1.186 3.788 5.027) 6.405 3.128 ( -0.464 9.434 -2.197) 9.698 3.128 ( -0.464 9.434 2.197) 9.698 3.390 ( 0.793 2.526 -3.386) 4.298 3.390 ( 0.793 2.526 3.386) 4.298 3.636 ( -0.670 2.756 -1.854) 3.388 3.636 ( -0.670 2.756 1.854) 3.388 3.762 ( -5.833 -1.365 -3.996) 7.201 3.762 ( -5.833 -1.365 3.996) 7.201 4.219 ( 2.703 1.118 -7.793) 8.324 4.219 ( 2.703 1.118 7.793) 8.324 4.302 ( 0.906 -5.811 -7.388) 9.443 4.302 ( 0.906 -5.811 7.388) 9.443 4.515 ( 1.115 8.076 -1.630) 8.314 4.515 ( 1.115 8.076 1.630) 8.314 4.727 ( -3.846 6.332 -2.143) 7.712 4.727 ( -3.846 6.332 2.143) 7.712 4.992 ( 2.769 5.437 -2.129) 6.463 4.992 ( 2.769 5.437 2.129) 6.463 5.138 ( 0.885 6.404 -2.006) 6.769 5.138 ( 0.885 6.404 2.006) 6.769 5.331 ( 0.677 19.592 -2.578) 19.773 5.331 ( 0.677 19.592 2.578) 19.773 5.407 ( -2.791 17.827 -3.410) 18.364 5.407 ( -2.791 17.827 3.410) 18.364 5.842 ( 1.397 21.649 -2.574) 21.846 5.842 ( 1.397 21.649 2.574) 21.846 5.927 ( -0.339 10.783 -2.123) 10.995 5.927 ( -0.339 10.783 2.123) 10.995 6.293 ( 2.598 4.869 -1.701) 5.775 6.293 ( 2.598 4.869 1.701) 5.775 6.475 ( -2.209 1.245 -1.960) 3.205 6.475 ( -2.209 1.245 1.960) 3.205 8.052 ( -0.386 -0.027 -0.176) 0.425 8.052 ( -0.386 -0.027 0.176) 0.425 8.231 ( 2.000 0.472 -1.379) 2.475 8.231 ( 2.000 0.472 1.379) 2.475 8.844 ( 3.262 5.300 -3.821) 7.303 8.844 ( 3.262 5.300 3.821) 7.303 9.112 ( -2.376 2.382 -3.093) 4.570 9.112 ( -2.376 2.382 3.093) 4.570 9.897 ( 3.056 -2.749 -4.521) 6.110 9.897 ( 3.056 -2.749 4.521) 6.110 10.014 ( 1.082 -2.129 -3.209) 4.000 10.014 ( 1.082 -2.129 3.209) 4.000 10.247 ( 4.470 -5.084 -3.936) 7.831 10.247 ( 4.470 -5.084 3.936) 7.831 10.592 ( 2.991 -2.053 -3.255) 4.874 10.592 ( 2.991 -2.053 3.255) 4.874 10.839 ( 1.428 3.930 -3.848) 5.683 10.839 ( 1.428 3.930 3.848) 5.683 11.000 ( -10.782 2.970 -3.342) 11.672 11.000 ( -10.782 2.970 3.342) 11.672 11.551 ( -8.613 5.534 -1.661) 10.371 11.551 ( -8.613 5.534 1.661) 10.371 11.848 ( 0.300 -0.313 -0.848) 0.952 11.848 ( 0.300 -0.313 0.848) 0.952 12.344 ( 4.085 -1.514 -4.708) 6.415 12.344 ( 4.085 -1.514 4.708) 6.415 12.503 ( 3.201 -1.273 -3.724) 5.072 12.503 ( 3.201 -1.273 3.724) 5.072 12.959 ( -0.522 -9.218 -3.041) 9.721 12.959 ( -0.522 -9.218 3.041) 9.721 13.078 ( 3.489 2.068 -2.994) 5.041 13.078 ( 3.489 2.068 2.994) 5.041 13.183 ( -6.351 -3.798 -1.455) 7.542 13.183 ( -6.351 -3.798 1.455) 7.542 13.531 ( -0.940 -3.466 -1.973) 4.097 13.531 ( -0.940 -3.466 1.973) 4.097 15.974 ( 0.810 -2.648 -1.291) 3.055 15.974 ( 0.810 -2.648 1.291) 3.055 16.359 ( 0.223 -4.942 -1.685) 5.226 16.359 ( 0.223 -4.942 1.685) 5.226 16.686 ( -0.732 -8.061 -1.466) 8.226 16.686 ( -0.732 -8.061 1.466) 8.226 16.796 ( 1.130 -10.536 -1.459) 10.696 16.796 ( 1.130 -10.536 1.459) 10.696 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 0.000 9.190 -0.619) 9.211 2.469 ( 0.000 9.190 0.619) 9.211 2.622 ( 0.000 2.339 -1.899) 3.013 2.622 ( 0.000 2.339 1.899) 3.013 2.695 ( 0.000 0.612 -1.633) 1.744 2.695 ( 0.000 0.612 1.633) 1.744 2.956 ( 0.000 0.381 -0.754) 0.845 2.956 ( 0.000 0.381 0.754) 0.845 3.334 ( 0.000 10.101 -5.667) 11.582 3.334 ( 0.000 10.101 5.667) 11.582 3.441 ( 0.000 5.021 -3.319) 6.019 3.441 ( 0.000 5.021 3.319) 6.019 3.712 ( 0.000 -1.928 -2.103) 2.853 3.712 ( 0.000 -1.928 2.103) 2.853 3.891 ( 0.000 -6.149 -5.617) 8.328 3.891 ( 0.000 -6.149 5.617) 8.328 3.961 ( 0.000 -6.434 -5.814) 8.672 3.961 ( 0.000 -6.434 5.814) 8.672 4.196 ( 0.000 -3.105 -0.330) 3.123 4.196 ( 0.000 -3.105 0.330) 3.123 4.528 ( 0.000 0.039 -0.617) 0.619 4.528 ( 0.000 0.039 0.617) 0.619 4.831 ( 0.000 -5.569 -2.128) 5.962 4.831 ( 0.000 -5.569 2.128) 5.962 5.034 ( 0.000 8.732 -1.589) 8.876 5.034 ( 0.000 8.732 1.589) 8.876 5.400 ( 0.000 11.463 -2.575) 11.748 5.400 ( 0.000 11.463 2.575) 11.748 5.665 ( 0.000 13.577 -1.927) 13.713 5.665 ( 0.000 13.577 1.927) 13.713 5.771 ( 0.000 7.294 -0.717) 7.329 5.771 ( 0.000 7.294 0.717) 7.329 5.977 ( 0.000 11.951 -1.790) 12.084 5.977 ( 0.000 11.951 1.790) 12.084 6.200 ( 0.000 13.875 -2.522) 14.103 6.200 ( 0.000 13.875 2.522) 14.103 6.407 ( 0.000 8.650 -2.726) 9.069 6.407 ( 0.000 8.650 2.726) 9.069 6.548 ( 0.000 -0.491 -3.687) 3.719 6.548 ( 0.000 -0.491 3.687) 3.719 8.103 ( 0.000 1.866 -3.073) 3.595 8.103 ( 0.000 1.866 3.073) 3.595 8.192 ( 0.000 3.640 -5.236) 6.377 8.192 ( 0.000 3.640 5.236) 6.377 8.796 ( 0.000 4.366 -1.950) 4.782 8.796 ( 0.000 4.366 1.950) 4.782 9.104 ( 0.000 -4.194 -0.512) 4.226 9.104 ( 0.000 -4.194 0.512) 4.226 9.795 ( 0.000 -3.395 -3.730) 5.043 9.795 ( 0.000 -3.395 3.730) 5.043 9.921 ( 0.000 -1.273 -3.969) 4.168 9.921 ( 0.000 -1.273 3.969) 4.168 10.101 ( 0.000 8.918 -7.309) 11.530 10.101 ( 0.000 8.918 7.309) 11.530 10.576 ( 0.000 6.221 -2.550) 6.723 10.576 ( 0.000 6.221 2.550) 6.723 11.005 ( 0.000 -0.105 -9.979) 9.979 11.005 ( 0.000 -0.105 9.979) 9.979 11.322 ( 0.000 -9.106 -5.732) 10.760 11.322 ( 0.000 -9.106 5.732) 10.760 11.699 ( 0.000 -9.892 -0.382) 9.899 11.699 ( 0.000 -9.892 0.382) 9.899 11.871 ( 0.000 -4.249 -5.833) 7.216 11.871 ( 0.000 -4.249 5.833) 7.216 12.066 ( 0.000 3.901 -10.641) 11.334 12.066 ( 0.000 3.901 10.641) 11.334 12.477 ( 0.000 3.638 -2.713) 4.538 12.477 ( 0.000 3.638 2.713) 4.538 12.589 ( 0.000 -12.751 -5.459) 13.871 12.589 ( 0.000 -12.751 5.459) 13.871 13.061 ( 0.000 -1.649 -8.936) 9.086 13.061 ( 0.000 -1.649 8.936) 9.087 13.394 ( 0.000 4.055 -0.013) 4.055 13.394 ( 0.000 4.055 0.013) 4.055 13.579 ( 0.000 -0.771 -5.117) 5.174 13.579 ( 0.000 -0.771 5.117) 5.174 15.924 ( 0.000 0.828 -4.539) 4.614 15.924 ( 0.000 0.828 4.539) 4.614 16.306 ( 0.000 -5.092 -4.255) 6.636 16.306 ( 0.000 -5.092 4.255) 6.636 16.435 ( 0.000 -7.464 -1.858) 7.692 16.435 ( 0.000 -7.464 1.858) 7.692 16.693 ( 0.000 -1.693 -2.615) 3.115 16.693 ( 0.000 -1.693 2.615) 3.115 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 1.090 8.806 -0.250) 8.877 2.480 ( 1.090 8.806 0.250) 8.877 2.616 ( -0.870 2.380 -2.015) 3.237 2.616 ( -0.870 2.380 2.015) 3.237 2.718 ( 2.453 0.398 -3.293) 4.125 2.718 ( 2.453 0.398 3.293) 4.125 2.927 ( -2.525 -0.705 -1.131) 2.855 2.927 ( -2.525 -0.705 1.131) 2.855 3.351 ( 0.600 10.670 -4.980) 11.791 3.351 ( 0.600 10.670 4.980) 11.791 3.431 ( 0.447 5.041 -6.398) 8.158 3.431 ( 0.447 5.041 6.398) 8.158 3.715 ( -0.818 0.283 -2.508) 2.653 3.715 ( -0.818 0.283 2.508) 2.653 3.830 ( -4.373 -3.649 -1.854) 5.989 3.830 ( -4.373 -3.649 1.854) 5.989 4.004 ( 3.890 -7.754 -4.437) 9.744 4.004 ( 3.890 -7.754 4.437) 9.744 4.207 ( 0.413 -5.231 -3.560) 6.341 4.207 ( 0.413 -5.231 3.560) 6.341 4.540 ( 1.180 0.484 -2.446) 2.759 4.540 ( 1.180 0.484 2.446) 2.759 4.815 ( -2.015 -4.913 -3.077) 6.137 4.815 ( -2.015 -4.913 3.077) 6.137 5.060 ( 2.908 8.422 -0.724) 8.939 5.060 ( 2.908 8.422 0.724) 8.939 5.360 ( -3.559 10.355 -1.869) 11.108 5.360 ( -3.559 10.355 1.869) 11.108 5.659 ( -0.555 13.366 -0.537) 13.388 5.659 ( -0.555 13.366 0.537) 13.388 5.739 ( -2.178 8.583 -2.486) 9.197 5.739 ( -2.178 8.583 2.486) 9.197 6.037 ( 4.684 11.289 -1.382) 12.300 6.037 ( 4.684 11.289 1.382) 12.300 6.222 ( 1.854 14.416 -2.258) 14.709 6.222 ( 1.854 14.416 2.258) 14.709 6.408 ( 0.209 7.830 -2.731) 8.295 6.408 ( 0.209 7.830 2.731) 8.295 6.530 ( -1.774 -0.005 -3.515) 3.937 6.530 ( -1.774 -0.005 3.515) 3.937 8.090 ( -0.947 2.224 -1.419) 2.803 8.090 ( -0.947 2.224 1.419) 2.803 8.216 ( 1.907 2.233 -3.264) 4.391 8.216 ( 1.907 2.233 3.264) 4.391 8.855 ( 5.313 5.553 -2.417) 8.057 8.855 ( 5.313 5.553 2.417) 8.057 9.135 ( 2.600 -1.968 -1.270) 3.500 9.135 ( 2.600 -1.968 1.270) 3.500 9.837 ( 2.933 -3.974 -3.488) 6.046 9.837 ( 2.933 -3.974 3.488) 6.046 9.932 ( 0.812 0.302 -4.439) 4.523 9.932 ( 0.812 0.302 4.439) 4.523 10.073 ( -0.344 3.038 -4.189) 5.186 10.073 ( -0.344 3.038 4.189) 5.186 10.588 ( -0.932 2.793 -1.450) 3.282 10.588 ( -0.932 2.793 1.450) 3.282 10.924 ( -6.327 -2.539 -5.256) 8.608 10.924 ( -6.327 -2.539 5.256) 8.608 11.240 ( -5.153 0.991 -2.708) 5.906 11.240 ( -5.153 0.991 2.708) 5.906 11.723 ( 1.022 -9.060 -1.571) 9.251 11.723 ( 1.022 -9.060 1.571) 9.251 11.858 ( -6.630 -0.475 -5.976) 8.939 11.858 ( -6.630 -0.475 5.976) 8.939 12.048 ( 4.758 -3.388 -7.406) 9.433 12.048 ( 4.758 -3.388 7.406) 9.433 12.460 ( -2.075 -3.982 -7.176) 8.465 12.460 ( -2.075 -3.982 7.176) 8.465 12.691 ( 8.387 -5.235 -5.398) 11.265 12.691 ( 8.387 -5.235 5.398) 11.265 13.092 ( 2.802 0.252 -7.853) 8.342 13.092 ( 2.802 0.252 7.853) 8.342 13.337 ( -5.570 3.782 -0.668) 6.766 13.337 ( -5.570 3.782 0.668) 6.766 13.530 ( -4.102 -1.705 -5.921) 7.402 13.530 ( -4.102 -1.705 5.921) 7.402 15.935 ( 0.949 0.533 -3.364) 3.535 15.935 ( 0.949 0.533 3.364) 3.535 16.269 ( -2.468 -5.937 -2.567) 6.923 16.269 ( -2.468 -5.937 2.567) 6.923 16.492 ( 4.353 -6.256 -3.570) 8.417 16.492 ( 4.353 -6.256 3.570) 8.417 16.689 ( -0.489 -1.765 -2.908) 3.436 16.689 ( -0.489 -1.765 2.908) 3.436 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 1.054 7.258 -0.504) 7.352 2.505 ( 1.054 7.258 0.504) 7.352 2.590 ( -1.227 4.585 -1.047) 4.861 2.590 ( -1.227 4.585 1.047) 4.861 2.785 ( 3.653 -1.317 -4.475) 5.925 2.785 ( 3.653 -1.317 4.475) 5.925 2.867 ( -3.202 -2.258 -3.654) 5.357 2.867 ( -3.202 -2.258 3.654) 5.357 3.347 ( -0.230 11.121 -0.988) 11.167 3.347 ( -0.230 11.121 0.988) 11.167 3.465 ( 1.352 4.574 -2.272) 5.283 3.465 ( 1.352 4.574 2.272) 5.283 3.692 ( 0.247 1.822 -1.997) 2.715 3.692 ( 0.247 1.822 1.997) 2.715 3.746 ( -3.900 1.557 -0.896) 4.294 3.746 ( -3.900 1.557 0.896) 4.294 4.095 ( 4.021 -9.625 -6.032) 12.049 4.095 ( 4.021 -9.625 6.032) 12.049 4.195 ( -1.486 -6.592 -6.369) 9.285 4.195 ( -1.486 -6.592 6.369) 9.285 4.574 ( 1.802 0.257 -2.690) 3.248 4.574 ( 1.802 0.257 2.690) 3.248 4.754 ( -2.951 -2.885 -2.940) 5.067 4.754 ( -2.951 -2.885 2.940) 5.067 5.144 ( 4.653 8.279 -0.601) 9.516 5.144 ( 4.653 8.279 0.601) 9.516 5.276 ( -4.334 7.505 -0.882) 8.712 5.276 ( -4.334 7.505 0.882) 8.712 5.650 ( -0.197 11.932 -0.499) 11.944 5.650 ( -0.197 11.932 0.499) 11.944 5.705 ( -1.046 11.249 -1.906) 11.457 5.705 ( -1.046 11.249 1.906) 11.457 6.121 ( 2.741 10.654 -0.524) 11.014 6.121 ( 2.741 10.654 0.524) 11.014 6.250 ( 0.545 16.224 -1.045) 16.267 6.250 ( 0.545 16.224 1.045) 16.267 6.427 ( 1.789 5.936 -2.889) 6.840 6.427 ( 1.789 5.936 2.889) 6.840 6.482 ( -2.640 0.605 -3.148) 4.153 6.482 ( -2.640 0.605 3.148) 4.153 8.075 ( -0.423 2.373 -0.315) 2.431 8.075 ( -0.423 2.373 0.315) 2.431 8.249 ( 1.034 0.458 -1.047) 1.541 8.249 ( 1.034 0.458 1.047) 1.541 8.975 ( 5.208 7.735 -2.404) 9.630 8.975 ( 5.208 7.735 2.404) 9.630 9.162 ( -0.688 2.654 -2.134) 3.475 9.162 ( -0.688 2.654 2.134) 3.475 9.881 ( 1.366 0.399 -3.423) 3.707 9.881 ( 1.366 0.399 3.423) 3.707 9.957 ( 2.399 -2.616 -3.673) 5.108 9.957 ( 2.399 -2.616 3.673) 5.108 10.120 ( 2.368 -6.806 -3.217) 7.892 10.120 ( 2.368 -6.806 3.217) 7.892 10.471 ( -7.497 -9.845 -3.601) 12.888 10.471 ( -7.497 -9.845 3.601) 12.888 10.878 ( 1.499 3.282 -3.112) 4.765 10.878 ( 1.499 3.282 3.112) 4.765 11.148 ( -3.815 9.768 -2.349) 10.747 11.148 ( -3.815 9.768 2.349) 10.747 11.691 ( -4.692 7.017 -1.962) 8.666 11.691 ( -4.692 7.017 1.962) 8.666 11.746 ( -0.344 -9.068 -3.655) 9.783 11.746 ( -0.344 -9.068 3.655) 9.783 12.189 ( 6.253 -10.749 -4.609) 13.262 12.189 ( 6.253 -10.749 4.609) 13.262 12.395 ( -3.681 -9.415 -4.769) 11.178 12.395 ( -3.681 -9.415 4.769) 11.178 12.873 ( 8.482 1.188 -2.435) 8.905 12.873 ( 8.482 1.188 2.435) 8.905 13.114 ( -3.749 2.484 -0.920) 4.591 13.114 ( -3.749 2.484 0.920) 4.591 13.227 ( -1.729 3.695 -3.836) 5.600 13.227 ( -1.729 3.695 3.836) 5.600 13.451 ( -2.878 -4.294 -3.903) 6.477 13.451 ( -2.878 -4.294 3.903) 6.477 15.952 ( 0.550 0.389 -1.109) 1.298 15.952 ( 0.550 0.389 1.109) 1.298 16.231 ( -1.054 -7.372 -0.821) 7.492 16.231 ( -1.054 -7.372 0.821) 7.492 16.574 ( 3.112 -3.287 -3.033) 5.449 16.574 ( 3.112 -3.287 3.033) 5.449 16.670 ( -1.221 -3.169 -2.552) 4.248 16.670 ( -1.221 -3.169 2.552) 4.248 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 0.000 2.267 -1.001) 2.478 2.589 ( 0.000 2.267 1.001) 2.478 2.678 ( 0.000 1.702 -1.856) 2.519 2.678 ( 0.000 1.702 1.856) 2.519 2.735 ( 0.000 5.711 -1.279) 5.853 2.735 ( 0.000 5.711 1.279) 5.853 2.878 ( 0.000 -6.831 -2.030) 7.126 2.878 ( 0.000 -6.831 2.030) 7.126 3.514 ( 0.000 7.908 -4.266) 8.985 3.514 ( 0.000 7.908 4.266) 8.985 3.590 ( 0.000 8.570 -4.838) 9.841 3.590 ( 0.000 8.570 4.838) 9.841 3.651 ( 0.000 -4.548 -0.001) 4.548 3.651 ( 0.000 -4.548 0.001) 4.548 3.756 ( 0.000 -7.550 -5.084) 9.102 3.756 ( 0.000 -7.550 5.084) 9.102 3.860 ( 0.000 -2.943 -2.528) 3.880 3.860 ( 0.000 -2.943 2.528) 3.880 4.132 ( 0.000 -2.330 -0.004) 2.330 4.132 ( 0.000 -2.330 0.004) 2.330 4.554 ( 0.000 2.210 -0.594) 2.288 4.554 ( 0.000 2.210 0.594) 2.288 4.717 ( 0.000 -4.715 -1.763) 5.033 4.717 ( 0.000 -4.715 1.763) 5.033 5.155 ( 0.000 3.212 -0.299) 3.226 5.155 ( 0.000 3.212 0.299) 3.226 5.552 ( 0.000 3.835 -1.013) 3.967 5.552 ( 0.000 3.835 1.013) 3.967 5.836 ( 0.000 1.231 -0.966) 1.565 5.836 ( 0.000 1.231 0.966) 1.565 5.852 ( 0.000 4.889 -0.253) 4.895 5.852 ( 0.000 4.889 0.253) 4.895 6.194 ( 0.000 7.280 -0.170) 7.282 6.194 ( 0.000 7.280 0.170) 7.282 6.382 ( 0.000 3.699 -1.010) 3.835 6.382 ( 0.000 3.699 1.010) 3.835 6.479 ( 0.000 0.161 -1.490) 1.498 6.479 ( 0.000 0.161 1.490) 1.498 6.579 ( 0.000 2.637 -0.456) 2.676 6.579 ( 0.000 2.637 0.456) 2.676 8.141 ( 0.000 1.555 -1.134) 1.925 8.141 ( 0.000 1.555 1.134) 1.925 8.247 ( 0.000 1.331 -2.144) 2.523 8.247 ( 0.000 1.331 2.144) 2.523 8.874 ( 0.000 3.192 -1.058) 3.363 8.874 ( 0.000 3.192 1.058) 3.363 9.021 ( 0.000 -3.508 -0.097) 3.509 9.021 ( 0.000 -3.508 0.097) 3.509 9.745 ( 0.000 -1.269 -1.032) 1.636 9.745 ( 0.000 -1.269 1.032) 1.636 9.901 ( 0.000 -0.602 -1.271) 1.407 9.901 ( 0.000 -0.602 1.271) 1.407 10.338 ( 0.000 12.389 -8.788) 15.189 10.338 ( 0.000 12.389 8.788) 15.189 10.657 ( 0.000 -0.961 -6.982) 7.048 10.657 ( 0.000 -0.961 6.982) 7.048 10.897 ( 0.000 -5.768 -0.258) 5.774 10.897 ( 0.000 -5.768 0.258) 5.774 11.171 ( 0.000 -4.998 -5.264) 7.258 11.171 ( 0.000 -4.998 5.264) 7.258 11.621 ( 0.000 1.974 -2.766) 3.398 11.621 ( 0.000 1.974 2.766) 3.398 11.735 ( 0.000 -8.048 -1.035) 8.115 11.735 ( 0.000 -8.048 1.035) 8.115 12.171 ( 0.000 6.338 -9.555) 11.467 12.171 ( 0.000 6.338 9.555) 11.467 12.345 ( 0.000 -8.710 -9.108) 12.602 12.345 ( 0.000 -8.710 9.108) 12.602 12.563 ( 0.000 1.600 -0.233) 1.616 12.563 ( 0.000 1.600 0.233) 1.616 13.033 ( 0.000 -0.873 -3.910) 4.006 13.033 ( 0.000 -0.873 3.910) 4.006 13.480 ( 0.000 4.149 -1.425) 4.387 13.480 ( 0.000 4.149 1.425) 4.387 13.548 ( 0.000 -2.472 -3.086) 3.954 13.548 ( 0.000 -2.472 3.086) 3.954 15.949 ( 0.000 1.223 -2.310) 2.614 15.949 ( 0.000 1.223 2.310) 2.614 16.195 ( 0.000 -3.956 -0.050) 3.956 16.195 ( 0.000 -3.956 0.050) 3.956 16.369 ( 0.000 -0.954 -0.144) 0.965 16.369 ( 0.000 -0.954 0.144) 0.965 16.679 ( 0.000 -0.180 -0.973) 0.990 16.679 ( 0.000 -0.180 0.973) 0.990 ======================= Grid point 222 (71/72) ======================= q-point: ( 0.20 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 1.972 2.939 -1.532) 3.856 2.611 ( 1.972 2.939 1.532) 3.856 2.663 ( -1.011 2.529 -2.679) 3.820 2.663 ( -1.011 2.529 2.679) 3.820 2.740 ( 0.232 3.021 -0.682) 3.106 2.740 ( 0.232 3.021 0.682) 3.106 2.851 ( -2.394 -5.847 -1.096) 6.413 2.851 ( -2.394 -5.847 1.096) 6.413 3.519 ( -0.199 6.389 -5.822) 8.646 3.519 ( -0.199 6.389 5.822) 8.646 3.574 ( -0.992 6.935 -4.278) 8.209 3.574 ( -0.992 6.935 4.278) 8.209 3.677 ( 1.427 -3.420 -1.163) 3.884 3.677 ( 1.427 -3.420 1.163) 3.884 3.765 ( 2.844 -4.177 -0.846) 5.124 3.765 ( 2.844 -4.177 0.846) 5.124 3.894 ( 2.008 -1.768 -1.834) 3.244 3.894 ( 2.008 -1.768 1.834) 3.244 4.097 ( -2.884 -4.404 -2.044) 5.647 4.097 ( -2.884 -4.404 2.044) 5.647 4.570 ( 1.149 2.439 -1.210) 2.955 4.570 ( 1.149 2.439 1.210) 2.955 4.704 ( -1.350 -4.937 -1.916) 5.465 4.704 ( -1.350 -4.937 1.916) 5.465 5.181 ( 2.701 3.249 -0.122) 4.227 5.181 ( 2.701 3.249 0.122) 4.227 5.503 ( -4.484 3.758 -0.737) 5.897 5.503 ( -4.484 3.758 0.737) 5.897 5.826 ( -0.946 2.772 -4.110) 5.047 5.826 ( -0.946 2.772 4.110) 5.047 5.845 ( -0.359 3.815 -4.967) 6.274 5.845 ( -0.359 3.815 4.967) 6.274 6.232 ( 3.242 6.528 -0.596) 7.313 6.232 ( 3.242 6.528 0.596) 7.313 6.408 ( 2.041 2.842 -1.066) 3.658 6.408 ( 2.041 2.842 1.066) 3.658 6.473 ( -0.503 1.286 -1.368) 1.943 6.473 ( -0.503 1.286 1.368) 1.943 6.572 ( -0.722 2.698 -0.641) 2.865 6.572 ( -0.722 2.698 0.641) 2.865 8.143 ( 0.068 2.468 -0.982) 2.657 8.143 ( 0.068 2.468 0.982) 2.657 8.235 ( -0.808 -0.371 -1.863) 2.064 8.235 ( -0.808 -0.371 1.863) 2.064 8.968 ( 8.062 5.321 -0.921) 9.704 8.968 ( 8.062 5.321 0.921) 9.704 9.082 ( 5.708 -3.425 -0.273) 6.662 9.082 ( 5.708 -3.425 0.273) 6.662 9.757 ( 1.200 -2.549 -1.062) 3.011 9.757 ( 1.200 -2.549 1.062) 3.011 9.929 ( 2.710 -0.562 -1.273) 3.046 9.929 ( 2.710 -0.562 1.273) 3.046 10.231 ( -8.481 10.599 -6.674) 15.127 10.231 ( -8.481 10.599 6.674) 15.127 10.522 ( -13.277 -9.081 -7.990) 17.961 10.522 ( -13.277 -9.081 7.990) 17.961 10.936 ( 4.574 4.936 -5.702) 8.820 10.936 ( 4.574 4.936 5.702) 8.820 11.215 ( 2.645 -5.100 -2.641) 6.323 11.215 ( 2.645 -5.100 2.641) 6.323 11.615 ( -0.464 1.929 -2.158) 2.932 11.615 ( -0.464 1.929 2.158) 2.932 11.751 ( 0.926 -8.789 -1.126) 8.910 11.751 ( 0.926 -8.789 1.126) 8.910 12.098 ( -4.549 6.263 -6.183) 9.907 12.098 ( -4.549 6.263 6.183) 9.907 12.295 ( -4.222 -8.700 -6.297) 11.539 12.295 ( -4.222 -8.700 6.297) 11.539 12.693 ( 10.472 1.359 -0.965) 10.604 12.693 ( 10.472 1.359 0.965) 10.604 13.087 ( 4.849 -0.415 -3.351) 5.909 13.087 ( 4.849 -0.415 3.351) 5.909 13.414 ( -6.935 3.316 -2.105) 7.970 13.414 ( -6.935 3.316 2.105) 7.970 13.492 ( -4.549 -2.075 -3.870) 6.323 13.492 ( -4.549 -2.075 3.870) 6.323 15.958 ( 0.920 1.230 -1.687) 2.281 15.958 ( 0.920 1.230 1.687) 2.281 16.161 ( -2.932 -3.712 -0.231) 4.736 16.161 ( -2.932 -3.712 0.231) 4.736 16.428 ( 5.145 -1.139 -1.328) 5.434 16.428 ( 5.145 -1.139 1.328) 5.434 16.673 ( -0.776 -0.235 -1.030) 1.310 16.673 ( -0.776 -0.235 1.030) 1.310 ======================= Grid point 224 (72/72) ======================= q-point: ( 0.40 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -0.091 5.623 -0.715) 5.669 2.637 ( -0.091 5.623 0.715) 5.669 2.664 ( 1.225 2.608 -1.896) 3.449 2.664 ( 1.225 2.608 1.896) 3.449 2.749 ( 1.139 -1.899 -3.368) 4.031 2.749 ( 1.139 -1.899 3.368) 4.031 2.795 ( -2.901 -4.139 -2.441) 5.613 2.795 ( -2.901 -4.139 2.441) 5.613 3.511 ( 0.015 4.617 -4.794) 6.655 3.511 ( 0.015 4.617 4.794) 6.655 3.542 ( -1.725 1.897 -2.776) 3.779 3.542 ( -1.725 1.897 2.776) 3.779 3.728 ( 2.754 4.407 -2.456) 5.748 3.728 ( 2.754 4.407 2.456) 5.748 3.827 ( 1.573 2.403 -2.709) 3.947 3.827 ( 1.573 2.403 2.709) 3.947 3.924 ( 1.244 -4.547 -1.136) 4.849 3.924 ( 1.244 -4.547 1.136) 4.849 4.040 ( -2.166 -8.096 -2.980) 8.894 4.040 ( -2.166 -8.096 2.980) 8.894 4.590 ( 0.781 1.947 -1.182) 2.408 4.590 ( 0.781 1.947 1.182) 2.408 4.669 ( -1.686 -4.546 -1.649) 5.121 4.669 ( -1.686 -4.546 1.649) 5.121 5.265 ( 5.498 3.329 -0.126) 6.429 5.265 ( 5.498 3.329 0.126) 6.429 5.391 ( -6.222 3.266 -0.301) 7.034 5.391 ( -6.222 3.266 0.301) 7.034 5.810 ( -0.426 4.758 -2.232) 5.273 5.810 ( -0.426 4.758 2.232) 5.273 5.840 ( -0.135 2.461 -2.522) 3.526 5.840 ( -0.135 2.461 2.522) 3.526 6.299 ( 2.707 6.621 -0.239) 7.157 6.299 ( 2.707 6.621 0.239) 7.157 6.423 ( -0.897 -2.453 -0.261) 2.625 6.423 ( -0.897 -2.453 0.261) 2.625 6.483 ( 1.530 6.461 -0.782) 6.686 6.483 ( 1.530 6.461 0.782) 6.686 6.551 ( -1.150 2.319 -0.658) 2.671 6.551 ( -1.150 2.319 0.658) 2.671 8.142 ( -0.057 4.095 -0.347) 4.110 8.142 ( -0.057 4.095 0.347) 4.110 8.225 ( -0.165 -2.914 -0.710) 3.004 8.225 ( -0.165 -2.914 0.710) 3.004 9.128 ( 6.190 6.699 -0.828) 9.159 9.128 ( 6.190 6.699 0.828) 9.159 9.200 ( 3.511 0.072 -0.616) 3.565 9.200 ( 3.511 0.072 0.616) 3.565 9.823 ( 7.090 -3.683 -0.881) 8.038 9.823 ( 7.090 -3.683 0.881) 8.038 9.995 ( 2.518 -0.296 -0.305) 2.554 9.995 ( 2.518 -0.296 0.305) 2.554 10.042 ( -10.431 5.127 -3.939) 12.272 10.042 ( -10.431 5.127 3.939) 12.272 10.243 ( -10.227 -11.978 -5.035) 16.536 10.243 ( -10.227 -11.978 5.035) 16.536 11.022 ( 2.739 10.667 -2.488) 11.290 11.022 ( 2.739 10.667 2.488) 11.290 11.247 ( 0.596 -4.795 -0.445) 4.852 11.247 ( 0.596 -4.795 0.445) 4.852 11.607 ( -0.231 2.256 -0.729) 2.382 11.607 ( -0.231 2.256 0.729) 2.382 11.751 ( -0.629 -5.305 -0.469) 5.362 11.751 ( -0.629 -5.305 0.469) 5.362 12.058 ( 0.466 1.390 -3.014) 3.352 12.058 ( 0.466 1.390 3.014) 3.352 12.204 ( -3.764 -8.915 -3.039) 10.143 12.204 ( -3.764 -8.915 3.039) 10.143 12.925 ( 11.831 2.329 -0.889) 12.090 12.925 ( 11.831 2.329 0.889) 12.090 13.153 ( -4.562 0.935 -0.560) 4.690 13.153 ( -4.562 0.935 0.560) 4.690 13.272 ( -0.377 0.829 -2.948) 3.085 13.272 ( -0.377 0.829 2.948) 3.085 13.386 ( -5.690 -1.674 -3.118) 6.701 13.386 ( -5.690 -1.674 3.118) 6.701 15.985 ( 1.410 2.507 -0.631) 2.945 15.985 ( 1.410 2.507 0.631) 2.945 16.100 ( -2.430 -5.148 -0.136) 5.695 16.100 ( -2.430 -5.148 0.136) 5.695 16.542 ( 5.419 -0.492 -1.326) 5.601 16.542 ( 5.419 -0.492 1.326) 5.601 16.636 ( -3.009 -0.709 -1.128) 3.291 16.636 ( -3.009 -0.709 1.128) 3.291 =================== 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 3/25200 10.0 4493.534 4481.243 3419.532 0.000 0.000 0.000 3/25200 20.0 471.438 727.910 495.982 0.000 0.000 0.000 3/25200 30.0 132.621 253.935 142.643 0.000 0.000 0.000 3/25200 40.0 61.424 139.065 67.414 0.000 0.000 0.000 3/25200 50.0 36.703 93.139 40.988 0.000 0.000 0.000 3/25200 60.0 25.223 68.769 28.535 0.000 0.000 0.000 3/25200 70.0 18.842 53.671 21.508 0.000 0.000 0.000 3/25200 80.0 14.863 43.464 17.064 0.000 0.000 0.000 3/25200 90.0 12.183 36.181 14.033 0.000 0.000 0.000 3/25200 100.0 10.276 30.784 11.854 0.000 0.000 0.000 3/25200 110.0 8.862 26.669 10.225 0.000 0.000 0.000 3/25200 120.0 7.778 23.454 8.969 0.000 0.000 0.000 3/25200 130.0 6.926 20.891 7.977 0.000 0.000 0.000 3/25200 140.0 6.241 18.811 7.177 0.000 0.000 0.000 3/25200 150.0 5.679 17.096 6.519 0.000 0.000 0.000 3/25200 160.0 5.211 15.662 5.971 0.000 0.000 0.000 3/25200 170.0 4.815 14.448 5.507 0.000 0.000 0.000 3/25200 180.0 4.476 13.409 5.111 0.000 0.000 0.000 3/25200 190.0 4.183 12.510 4.768 0.000 0.000 0.000 3/25200 200.0 3.927 11.726 4.469 0.000 0.000 0.000 3/25200 210.0 3.702 11.036 4.206 0.000 0.000 0.000 3/25200 220.0 3.501 10.424 3.972 0.000 0.000 0.000 3/25200 230.0 3.323 9.878 3.764 0.000 0.000 0.000 3/25200 240.0 3.162 9.389 3.577 0.000 0.000 0.000 3/25200 250.0 3.016 8.946 3.409 0.000 0.000 0.000 3/25200 260.0 2.884 8.545 3.256 0.000 0.000 0.000 3/25200 270.0 2.763 8.180 3.116 0.000 0.000 0.000 3/25200 280.0 2.652 7.845 2.988 0.000 0.000 0.000 3/25200 290.0 2.550 7.538 2.871 0.000 0.000 0.000 3/25200 300.0 2.456 7.254 2.763 0.000 0.000 0.000 3/25200 310.0 2.369 6.992 2.663 0.000 0.000 0.000 3/25200 320.0 2.288 6.749 2.570 0.000 0.000 0.000 3/25200 330.0 2.212 6.522 2.483 0.000 0.000 0.000 3/25200 340.0 2.142 6.311 2.402 0.000 0.000 0.000 3/25200 350.0 2.076 6.113 2.327 0.000 0.000 0.000 3/25200 360.0 2.014 5.928 2.256 0.000 0.000 0.000 3/25200 370.0 1.955 5.754 2.190 0.000 0.000 0.000 3/25200 380.0 1.900 5.590 2.127 0.000 0.000 0.000 3/25200 390.0 1.849 5.436 2.068 0.000 0.000 0.000 3/25200 400.0 1.799 5.290 2.013 0.000 0.000 0.000 3/25200 410.0 1.753 5.152 1.960 0.000 0.000 0.000 3/25200 420.0 1.709 5.021 1.910 0.000 0.000 0.000 3/25200 430.0 1.667 4.896 1.862 0.000 0.000 0.000 3/25200 440.0 1.627 4.778 1.817 0.000 0.000 0.000 3/25200 450.0 1.589 4.666 1.775 0.000 0.000 0.000 3/25200 460.0 1.553 4.559 1.734 0.000 0.000 0.000 3/25200 470.0 1.519 4.456 1.695 0.000 0.000 0.000 3/25200 480.0 1.486 4.359 1.657 0.000 0.000 0.000 3/25200 490.0 1.454 4.265 1.622 0.000 0.000 0.000 3/25200 500.0 1.424 4.176 1.588 0.000 0.000 0.000 3/25200 510.0 1.395 4.090 1.555 0.000 0.000 0.000 3/25200 520.0 1.367 4.008 1.524 0.000 0.000 0.000 3/25200 530.0 1.340 3.929 1.494 0.000 0.000 0.000 3/25200 540.0 1.315 3.854 1.465 0.000 0.000 0.000 3/25200 550.0 1.290 3.781 1.437 0.000 0.000 0.000 3/25200 560.0 1.266 3.711 1.410 0.000 0.000 0.000 3/25200 570.0 1.243 3.643 1.385 0.000 0.000 0.000 3/25200 580.0 1.221 3.578 1.360 0.000 0.000 0.000 3/25200 590.0 1.200 3.516 1.336 0.000 0.000 0.000 3/25200 600.0 1.179 3.455 1.313 0.000 0.000 0.000 3/25200 610.0 1.160 3.397 1.291 0.000 0.000 0.000 3/25200 620.0 1.140 3.340 1.269 0.000 0.000 0.000 3/25200 630.0 1.122 3.285 1.248 0.000 0.000 0.000 3/25200 640.0 1.104 3.233 1.228 0.000 0.000 0.000 3/25200 650.0 1.087 3.182 1.209 0.000 0.000 0.000 3/25200 660.0 1.070 3.132 1.190 0.000 0.000 0.000 3/25200 670.0 1.053 3.084 1.172 0.000 0.000 0.000 3/25200 680.0 1.038 3.038 1.154 0.000 0.000 0.000 3/25200 690.0 1.022 2.992 1.137 0.000 0.000 0.000 3/25200 700.0 1.007 2.949 1.120 0.000 0.000 0.000 3/25200 710.0 0.993 2.906 1.104 0.000 0.000 0.000 3/25200 720.0 0.979 2.865 1.088 0.000 0.000 0.000 3/25200 730.0 0.965 2.825 1.073 0.000 0.000 0.000 3/25200 740.0 0.952 2.786 1.058 0.000 0.000 0.000 3/25200 750.0 0.939 2.748 1.044 0.000 0.000 0.000 3/25200 760.0 0.926 2.711 1.030 0.000 0.000 0.000 3/25200 770.0 0.914 2.675 1.016 0.000 0.000 0.000 3/25200 780.0 0.902 2.640 1.003 0.000 0.000 0.000 3/25200 790.0 0.891 2.606 0.990 0.000 0.000 0.000 3/25200 800.0 0.879 2.573 0.977 0.000 0.000 0.000 3/25200 810.0 0.868 2.540 0.965 0.000 0.000 0.000 3/25200 820.0 0.858 2.509 0.953 0.000 0.000 0.000 3/25200 830.0 0.847 2.478 0.941 0.000 0.000 0.000 3/25200 840.0 0.837 2.448 0.930 0.000 0.000 0.000 3/25200 850.0 0.827 2.419 0.919 0.000 0.000 0.000 3/25200 860.0 0.817 2.390 0.908 0.000 0.000 0.000 3/25200 870.0 0.808 2.362 0.897 0.000 0.000 0.000 3/25200 880.0 0.798 2.335 0.887 0.000 0.000 0.000 3/25200 890.0 0.789 2.309 0.877 0.000 0.000 0.000 3/25200 900.0 0.780 2.283 0.867 0.000 0.000 0.000 3/25200 910.0 0.772 2.257 0.857 0.000 0.000 0.000 3/25200 920.0 0.763 2.232 0.848 0.000 0.000 0.000 3/25200 930.0 0.755 2.208 0.838 0.000 0.000 0.000 3/25200 940.0 0.747 2.184 0.829 0.000 0.000 0.000 3/25200 950.0 0.739 2.161 0.820 0.000 0.000 0.000 3/25200 960.0 0.731 2.138 0.812 0.000 0.000 0.000 3/25200 970.0 0.723 2.116 0.803 0.000 0.000 0.000 3/25200 980.0 0.716 2.094 0.795 0.000 0.000 0.000 3/25200 990.0 0.709 2.072 0.787 0.000 0.000 0.000 3/25200 1000.0 0.702 2.051 0.779 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m5154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:08:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|