----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:03:19]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_12_12 (92) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.283432340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.283432340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.429871350000001 Atomic positions (fractional): *1 La 0.27297490823226 0.72702509176774 0.75000000000000 138.905 2 La 0.72702509176774 0.27297490823226 0.25000000000000 138.905 3 La 0.22702509176774 0.22702509176774 0.50000000000000 138.905 4 La 0.77297490823226 0.77297490823226 0.00000000000000 138.905 *5 Mg 0.02272147887534 0.73704393748639 0.40102880817032 24.305 6 Mg 0.97727852112466 0.26295606251361 0.90102880817032 24.305 7 Mg 0.23704393748639 0.47727852112466 0.15102880817032 24.305 8 Mg 0.76295606251361 0.52272147887534 0.65102880817032 24.305 9 Mg 0.26295606251361 0.97727852112466 0.09897119182968 24.305 10 Mg 0.73704393748639 0.02272147887534 0.59897119182968 24.305 11 Mg 0.47727852112466 0.23704393748639 0.84897119182968 24.305 12 Mg 0.52272147887534 0.76295606251361 0.34897119182968 24.305 *13 H 0.03380202710693 0.95766102047569 0.61975093060967 1.008 14 H 0.96619797289307 0.04233897952431 0.11975093060967 1.008 15 H 0.45766102047569 0.46619797289307 0.36975093060967 1.008 16 H 0.54233897952431 0.53380202710693 0.86975093060967 1.008 17 H 0.04233897952431 0.96619797289307 0.88024906939033 1.008 18 H 0.95766102047569 0.03380202710693 0.38024906939033 1.008 19 H 0.46619797289307 0.45766102047569 0.63024906939033 1.008 20 H 0.53380202710693 0.54233897952431 0.13024906939033 1.008 *21 H 0.07058338567039 0.56005325173088 0.57331796624791 1.008 22 H 0.92941661432961 0.43994674826912 0.07331796624791 1.008 23 H 0.06005325173088 0.42941661432961 0.32331796624791 1.008 24 H 0.93994674826912 0.57058338567039 0.82331796624791 1.008 25 H 0.43994674826912 0.92941661432961 0.92668203375209 1.008 26 H 0.56005325173088 0.07058338567039 0.42668203375209 1.008 27 H 0.42941661432961 0.06005325173088 0.67668203375209 1.008 28 H 0.57058338567039 0.93994674826912 0.17668203375209 1.008 *29 H 0.30296954148260 0.83916688098055 0.49780100803374 1.008 30 H 0.69703045851740 0.16083311901945 0.99780100803374 1.008 31 H 0.33916688098055 0.19703045851740 0.24780100803374 1.008 32 H 0.66083311901945 0.80296954148260 0.74780100803374 1.008 33 H 0.16083311901945 0.69703045851740 0.00219899196626 1.008 34 H 0.83916688098055 0.30296954148260 0.50219899196626 1.008 35 H 0.19703045851740 0.33916688098055 0.75219899196626 1.008 36 H 0.80296954148260 0.66083311901945 0.25219899196626 1.008 *37 H 0.76221395758616 0.23778604241384 0.75000000000000 1.008 38 H 0.23778604241384 0.76221395758616 0.25000000000000 1.008 39 H 0.73778604241384 0.73778604241384 0.50000000000000 1.008 40 H 0.26221395758616 0.26221395758616 0.00000000000000 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.283432340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.283432340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.429871350000001 Atomic positions (fractional): *1 La 0.27297490823226 0.72702509176774 0.75000000000000 138.905 > 1 2 La 0.72702509176774 0.27297490823226 0.25000000000000 138.905 > 2 3 La 0.22702509176774 0.22702509176774 0.50000000000000 138.905 > 3 4 La 0.77297490823226 0.77297490823226 0.00000000000000 138.905 > 4 *5 Mg 0.02272147887534 0.73704393748639 0.40102880817032 24.305 > 5 6 Mg 0.97727852112466 0.26295606251361 0.90102880817032 24.305 > 6 7 Mg 0.23704393748639 0.47727852112466 0.15102880817032 24.305 > 7 8 Mg 0.76295606251361 0.52272147887534 0.65102880817032 24.305 > 8 9 Mg 0.26295606251361 0.97727852112466 0.09897119182968 24.305 > 9 10 Mg 0.73704393748639 0.02272147887534 0.59897119182968 24.305 > 10 11 Mg 0.47727852112466 0.23704393748639 0.84897119182968 24.305 > 11 12 Mg 0.52272147887534 0.76295606251361 0.34897119182968 24.305 > 12 *13 H 0.03380202710693 0.95766102047569 0.61975093060967 1.008 > 13 14 H 0.96619797289307 0.04233897952431 0.11975093060967 1.008 > 14 15 H 0.45766102047569 0.46619797289307 0.36975093060967 1.008 > 15 16 H 0.54233897952431 0.53380202710693 0.86975093060967 1.008 > 16 17 H 0.04233897952431 0.96619797289307 0.88024906939033 1.008 > 17 18 H 0.95766102047569 0.03380202710693 0.38024906939033 1.008 > 18 19 H 0.46619797289307 0.45766102047569 0.63024906939033 1.008 > 19 20 H 0.53380202710693 0.54233897952431 0.13024906939033 1.008 > 20 *21 H 0.07058338567039 0.56005325173088 0.57331796624791 1.008 > 21 22 H 0.92941661432961 0.43994674826912 0.07331796624791 1.008 > 22 23 H 0.06005325173088 0.42941661432961 0.32331796624791 1.008 > 23 24 H 0.93994674826912 0.57058338567039 0.82331796624791 1.008 > 24 25 H 0.43994674826912 0.92941661432961 0.92668203375209 1.008 > 25 26 H 0.56005325173088 0.07058338567039 0.42668203375209 1.008 > 26 27 H 0.42941661432961 0.06005325173088 0.67668203375209 1.008 > 27 28 H 0.57058338567039 0.93994674826912 0.17668203375209 1.008 > 28 *29 H 0.30296954148260 0.83916688098055 0.49780100803374 1.008 > 29 30 H 0.69703045851740 0.16083311901945 0.99780100803374 1.008 > 30 31 H 0.33916688098055 0.19703045851740 0.24780100803374 1.008 > 31 32 H 0.66083311901945 0.80296954148260 0.74780100803374 1.008 > 32 33 H 0.16083311901945 0.69703045851740 0.00219899196626 1.008 > 33 34 H 0.83916688098055 0.30296954148260 0.50219899196626 1.008 > 34 35 H 0.19703045851740 0.33916688098055 0.75219899196626 1.008 > 35 36 H 0.80296954148260 0.66083311901945 0.25219899196626 1.008 > 36 *37 H 0.76221395758616 0.23778604241384 0.75000000000000 1.008 > 37 38 H 0.23778604241384 0.76221395758616 0.25000000000000 1.008 > 38 39 H 0.73778604241384 0.73778604241384 0.50000000000000 1.008 > 39 40 H 0.26221395758616 0.26221395758616 0.00000000000000 1.008 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.283432340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.283432340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.429871350000001 Atomic positions (fractional): *1 La 0.27297490823226 0.72702509176774 0.75000000000000 138.905 > 1 2 La 0.72702509176774 0.27297490823226 0.25000000000000 138.905 > 2 3 La 0.22702509176774 0.22702509176774 0.50000000000000 138.905 > 3 4 La 0.77297490823226 0.77297490823226 0.00000000000000 138.905 > 4 *5 Mg 0.02272147887534 0.73704393748639 0.40102880817032 24.305 > 5 6 Mg 0.97727852112466 0.26295606251361 0.90102880817032 24.305 > 6 7 Mg 0.23704393748639 0.47727852112466 0.15102880817032 24.305 > 7 8 Mg 0.76295606251361 0.52272147887534 0.65102880817032 24.305 > 8 9 Mg 0.26295606251361 0.97727852112466 0.09897119182968 24.305 > 9 10 Mg 0.73704393748639 0.02272147887534 0.59897119182968 24.305 > 10 11 Mg 0.47727852112466 0.23704393748639 0.84897119182968 24.305 > 11 12 Mg 0.52272147887534 0.76295606251361 0.34897119182968 24.305 > 12 *13 H 0.03380202710693 0.95766102047569 0.61975093060967 1.008 > 13 14 H 0.96619797289307 0.04233897952431 0.11975093060967 1.008 > 14 15 H 0.45766102047569 0.46619797289307 0.36975093060967 1.008 > 15 16 H 0.54233897952431 0.53380202710693 0.86975093060967 1.008 > 16 17 H 0.04233897952431 0.96619797289307 0.88024906939033 1.008 > 17 18 H 0.95766102047569 0.03380202710693 0.38024906939033 1.008 > 18 19 H 0.46619797289307 0.45766102047569 0.63024906939033 1.008 > 19 20 H 0.53380202710693 0.54233897952431 0.13024906939033 1.008 > 20 *21 H 0.07058338567039 0.56005325173088 0.57331796624791 1.008 > 21 22 H 0.92941661432961 0.43994674826912 0.07331796624791 1.008 > 22 23 H 0.06005325173088 0.42941661432961 0.32331796624791 1.008 > 23 24 H 0.93994674826912 0.57058338567039 0.82331796624791 1.008 > 24 25 H 0.43994674826912 0.92941661432961 0.92668203375209 1.008 > 25 26 H 0.56005325173088 0.07058338567039 0.42668203375209 1.008 > 26 27 H 0.42941661432961 0.06005325173088 0.67668203375209 1.008 > 27 28 H 0.57058338567039 0.93994674826912 0.17668203375209 1.008 > 28 *29 H 0.30296954148260 0.83916688098055 0.49780100803374 1.008 > 29 30 H 0.69703045851740 0.16083311901945 0.99780100803374 1.008 > 30 31 H 0.33916688098055 0.19703045851740 0.24780100803374 1.008 > 31 32 H 0.66083311901945 0.80296954148260 0.74780100803374 1.008 > 32 33 H 0.16083311901945 0.69703045851740 0.00219899196626 1.008 > 33 34 H 0.83916688098055 0.30296954148260 0.50219899196626 1.008 > 34 35 H 0.19703045851740 0.33916688098055 0.75219899196626 1.008 > 35 36 H 0.80296954148260 0.66083311901945 0.25219899196626 1.008 > 36 *37 H 0.76221395758616 0.23778604241384 0.75000000000000 1.008 > 37 38 H 0.23778604241384 0.76221395758616 0.25000000000000 1.008 > 38 39 H 0.73778604241384 0.73778604241384 0.50000000000000 1.008 > 39 40 H 0.26221395758616 0.26221395758616 0.00000000000000 1.008 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4591606 0.0000000 0.0000000 0.0000000 6.4591606 0.0000000 0.0000000 0.0000000 6.7619109 -------------------------- Born effective charges -------------------------- 1 La 3.0540979 0.0505189 -0.0705429 0.0505189 3.0540979 -0.0705429 -0.0615108 -0.0615108 3.2080080 2 La 3.0540979 0.0505189 0.0705429 0.0505189 3.0540979 0.0705429 0.0615108 0.0615108 3.2080080 3 La 3.0540979 -0.0505189 -0.0705429 -0.0505189 3.0540979 0.0705429 -0.0615108 0.0615108 3.2080080 4 La 3.0540979 -0.0505189 0.0705429 -0.0505189 3.0540979 -0.0705429 0.0615108 -0.0615108 3.2080080 5 Mg 1.9120693 0.0074104 0.1529138 0.0920918 2.1376942 0.1773483 0.0705111 0.1056743 2.0900568 6 Mg 1.9120693 0.0074104 -0.1529138 0.0920918 2.1376942 -0.1773483 -0.0705111 -0.1056743 2.0900568 7 Mg 2.1376942 -0.0920918 0.1773483 -0.0074104 1.9120693 -0.1529138 0.1056743 -0.0705111 2.0900568 8 Mg 2.1376942 -0.0920918 -0.1773483 -0.0074104 1.9120693 0.1529138 -0.1056743 0.0705111 2.0900568 9 Mg 2.1376942 0.0920918 0.1773483 0.0074104 1.9120693 0.1529138 0.1056743 0.0705111 2.0900568 10 Mg 2.1376942 0.0920918 -0.1773483 0.0074104 1.9120693 -0.1529138 -0.1056743 -0.0705111 2.0900568 11 Mg 1.9120693 -0.0074104 0.1529138 -0.0920918 2.1376942 -0.1773483 0.0705111 -0.1056743 2.0900568 12 Mg 1.9120693 -0.0074104 -0.1529138 -0.0920918 2.1376942 0.1773483 -0.0705111 0.1056743 2.0900568 13 H -1.1149164 -0.0006626 -0.0250889 0.0003996 -1.1423128 0.3140489 -0.0503157 0.2641020 -0.9534773 14 H -1.1149164 -0.0006626 0.0250889 0.0003996 -1.1423128 -0.3140489 0.0503157 -0.2641020 -0.9534773 15 H -1.1423128 -0.0003996 0.3140489 0.0006626 -1.1149164 0.0250889 0.2641020 0.0503157 -0.9534773 16 H -1.1423128 -0.0003996 -0.3140489 0.0006626 -1.1149164 -0.0250889 -0.2641020 -0.0503157 -0.9534773 17 H -1.1423128 0.0003996 0.3140489 -0.0006626 -1.1149164 -0.0250889 0.2641020 -0.0503157 -0.9534773 18 H -1.1423128 0.0003996 -0.3140489 -0.0006626 -1.1149164 0.0250889 -0.2641020 0.0503157 -0.9534773 19 H -1.1149164 0.0006626 -0.0250889 -0.0003996 -1.1423128 -0.3140489 -0.0503157 -0.2641020 -0.9534773 20 H -1.1149164 0.0006626 0.0250889 -0.0003996 -1.1423128 0.3140489 0.0503157 0.2641020 -0.9534773 21 H -0.8937972 0.0759816 -0.0946647 0.0178538 -1.0469943 -0.2466194 -0.1266231 -0.1736340 -0.9565957 22 H -0.8937972 0.0759816 0.0946647 0.0178538 -1.0469943 0.2466194 0.1266231 0.1736340 -0.9565957 23 H -1.0469943 -0.0178538 -0.2466194 -0.0759816 -0.8937972 0.0946647 -0.1736340 0.1266231 -0.9565957 24 H -1.0469943 -0.0178538 0.2466194 -0.0759816 -0.8937972 -0.0946647 0.1736340 -0.1266231 -0.9565957 25 H -1.0469943 0.0178538 -0.2466194 0.0759816 -0.8937972 -0.0946647 -0.1736340 -0.1266231 -0.9565957 26 H -1.0469943 0.0178538 0.2466194 0.0759816 -0.8937972 0.0946647 0.1736340 0.1266231 -0.9565957 27 H -0.8937972 -0.0759816 -0.0946647 -0.0178538 -1.0469943 0.2466194 -0.1266231 0.1736340 -0.9565957 28 H -0.8937972 -0.0759816 0.0946647 -0.0178538 -1.0469943 -0.2466194 0.1266231 -0.1736340 -0.9565957 29 H -0.8196115 0.0971727 0.0170398 0.0479031 -1.1649146 0.0830687 0.0843503 0.0833439 -1.2095101 30 H -0.8196115 0.0971727 -0.0170398 0.0479031 -1.1649146 -0.0830687 -0.0843503 -0.0833439 -1.2095101 31 H -1.1649146 -0.0479031 0.0830687 -0.0971727 -0.8196115 -0.0170398 0.0833439 -0.0843503 -1.2095101 32 H -1.1649146 -0.0479031 -0.0830687 -0.0971727 -0.8196115 0.0170398 -0.0833439 0.0843503 -1.2095101 33 H -1.1649146 0.0479031 0.0830687 0.0971727 -0.8196115 0.0170398 0.0833439 0.0843503 -1.2095101 34 H -1.1649146 0.0479031 -0.0830687 0.0971727 -0.8196115 -0.0170398 -0.0833439 -0.0843503 -1.2095101 35 H -0.8196115 -0.0971727 0.0170398 -0.0479031 -1.1649146 -0.0830687 0.0843503 -0.0833439 -1.2095101 36 H -0.8196115 -0.0971727 -0.0170398 -0.0479031 -1.1649146 0.0830687 -0.0843503 0.0833439 -1.2095101 37 H -0.9213147 -0.0296897 -0.0142171 -0.0296897 -0.9213147 -0.0142171 0.0187226 0.0187226 -1.1489552 38 H -0.9213147 -0.0296897 0.0142171 -0.0296897 -0.9213147 0.0142171 -0.0187226 -0.0187226 -1.1489552 39 H -0.9213147 0.0296897 -0.0142171 0.0296897 -0.9213147 0.0142171 0.0187226 -0.0187226 -1.1489552 40 H -0.9213147 0.0296897 0.0142171 0.0296897 -0.9213147 -0.0142171 -0.0187226 0.0187226 -1.1489552 ---------------------------------------------------------------------------- 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: 120/120 Permutation basis: 7140/7140 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 947 Number of blocks in projector: 947 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 117 Use standard eigh solver. Tree of FC basis block matrices: - (947, 901), data: False |-- (117, 111), data: True |-- (210, 200), data: True |-- (220, 210), data: True |-- (400, 380), data: True ----- Solver_atoms: 1 -- 40 / 40 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 640 - Time: 0.355 Solver_block: 200 / 640 - Time: 0.355 Solver_block: 300 / 640 - Time: 0.355 Solver_block: 400 / 640 - Time: 0.355 Solver_block: 500 / 640 - Time: 0.355 Solver_block: 600 / 640 - Time: 0.354 Solver_block: 640 / 640 - Time: 0.163 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.309 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 120/120 Permutation basis: 7140/7140 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 947 Number of blocks in projector: 947 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 117 Use standard eigh solver. Tree of FC basis block matrices: - (947, 901), data: False |-- (117, 111), data: True |-- (210, 200), data: True |-- (220, 210), data: True |-- (400, 380), 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 22:03:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:03:31]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_12_12 (92) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.283432340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.283432340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.429871350000001 Atomic positions (fractional): 1 La 0.27297490823226 0.72702509176774 0.75000000000000 138.905 2 La 0.72702509176774 0.27297490823226 0.25000000000000 138.905 3 La 0.22702509176774 0.22702509176774 0.50000000000000 138.905 4 La 0.77297490823226 0.77297490823226 0.00000000000000 138.905 5 Mg 0.02272147887534 0.73704393748639 0.40102880817032 24.305 6 Mg 0.97727852112466 0.26295606251361 0.90102880817032 24.305 7 Mg 0.23704393748639 0.47727852112466 0.15102880817032 24.305 8 Mg 0.76295606251361 0.52272147887534 0.65102880817032 24.305 9 Mg 0.26295606251361 0.97727852112466 0.09897119182968 24.305 10 Mg 0.73704393748639 0.02272147887534 0.59897119182968 24.305 11 Mg 0.47727852112466 0.23704393748639 0.84897119182968 24.305 12 Mg 0.52272147887534 0.76295606251361 0.34897119182968 24.305 13 H 0.03380202710693 0.95766102047569 0.61975093060967 1.008 14 H 0.96619797289307 0.04233897952431 0.11975093060967 1.008 15 H 0.45766102047569 0.46619797289307 0.36975093060967 1.008 16 H 0.54233897952431 0.53380202710693 0.86975093060967 1.008 17 H 0.04233897952431 0.96619797289307 0.88024906939033 1.008 18 H 0.95766102047569 0.03380202710693 0.38024906939033 1.008 19 H 0.46619797289307 0.45766102047569 0.63024906939033 1.008 20 H 0.53380202710693 0.54233897952431 0.13024906939033 1.008 21 H 0.07058338567039 0.56005325173088 0.57331796624791 1.008 22 H 0.92941661432961 0.43994674826912 0.07331796624791 1.008 23 H 0.06005325173088 0.42941661432961 0.32331796624791 1.008 24 H 0.93994674826912 0.57058338567039 0.82331796624791 1.008 25 H 0.43994674826912 0.92941661432961 0.92668203375209 1.008 26 H 0.56005325173088 0.07058338567039 0.42668203375209 1.008 27 H 0.42941661432961 0.06005325173088 0.67668203375209 1.008 28 H 0.57058338567039 0.93994674826912 0.17668203375209 1.008 29 H 0.30296954148260 0.83916688098055 0.49780100803374 1.008 30 H 0.69703045851740 0.16083311901945 0.99780100803374 1.008 31 H 0.33916688098055 0.19703045851740 0.24780100803374 1.008 32 H 0.66083311901945 0.80296954148260 0.74780100803374 1.008 33 H 0.16083311901945 0.69703045851740 0.00219899196626 1.008 34 H 0.83916688098055 0.30296954148260 0.50219899196626 1.008 35 H 0.19703045851740 0.33916688098055 0.75219899196626 1.008 36 H 0.80296954148260 0.66083311901945 0.25219899196626 1.008 37 H 0.76221395758616 0.23778604241384 0.75000000000000 1.008 38 H 0.23778604241384 0.76221395758616 0.25000000000000 1.008 39 H 0.73778604241384 0.73778604241384 0.50000000000000 1.008 40 H 0.26221395758616 0.26221395758616 0.00000000000000 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.283432340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.283432340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.429871350000001 Atomic positions (fractional): 1 La 0.27297490823226 0.72702509176774 0.75000000000000 138.905 > 1 2 La 0.72702509176774 0.27297490823226 0.25000000000000 138.905 > 2 3 La 0.22702509176774 0.22702509176774 0.50000000000000 138.905 > 3 4 La 0.77297490823226 0.77297490823226 0.00000000000000 138.905 > 4 5 Mg 0.02272147887534 0.73704393748639 0.40102880817032 24.305 > 5 6 Mg 0.97727852112466 0.26295606251361 0.90102880817032 24.305 > 6 7 Mg 0.23704393748639 0.47727852112466 0.15102880817032 24.305 > 7 8 Mg 0.76295606251361 0.52272147887534 0.65102880817032 24.305 > 8 9 Mg 0.26295606251361 0.97727852112466 0.09897119182968 24.305 > 9 10 Mg 0.73704393748639 0.02272147887534 0.59897119182968 24.305 > 10 11 Mg 0.47727852112466 0.23704393748639 0.84897119182968 24.305 > 11 12 Mg 0.52272147887534 0.76295606251361 0.34897119182968 24.305 > 12 13 H 0.03380202710693 0.95766102047569 0.61975093060967 1.008 > 13 14 H 0.96619797289307 0.04233897952431 0.11975093060967 1.008 > 14 15 H 0.45766102047569 0.46619797289307 0.36975093060967 1.008 > 15 16 H 0.54233897952431 0.53380202710693 0.86975093060967 1.008 > 16 17 H 0.04233897952431 0.96619797289307 0.88024906939033 1.008 > 17 18 H 0.95766102047569 0.03380202710693 0.38024906939033 1.008 > 18 19 H 0.46619797289307 0.45766102047569 0.63024906939033 1.008 > 19 20 H 0.53380202710693 0.54233897952431 0.13024906939033 1.008 > 20 21 H 0.07058338567039 0.56005325173088 0.57331796624791 1.008 > 21 22 H 0.92941661432961 0.43994674826912 0.07331796624791 1.008 > 22 23 H 0.06005325173088 0.42941661432961 0.32331796624791 1.008 > 23 24 H 0.93994674826912 0.57058338567039 0.82331796624791 1.008 > 24 25 H 0.43994674826912 0.92941661432961 0.92668203375209 1.008 > 25 26 H 0.56005325173088 0.07058338567039 0.42668203375209 1.008 > 26 27 H 0.42941661432961 0.06005325173088 0.67668203375209 1.008 > 27 28 H 0.57058338567039 0.93994674826912 0.17668203375209 1.008 > 28 29 H 0.30296954148260 0.83916688098055 0.49780100803374 1.008 > 29 30 H 0.69703045851740 0.16083311901945 0.99780100803374 1.008 > 30 31 H 0.33916688098055 0.19703045851740 0.24780100803374 1.008 > 31 32 H 0.66083311901945 0.80296954148260 0.74780100803374 1.008 > 32 33 H 0.16083311901945 0.69703045851740 0.00219899196626 1.008 > 33 34 H 0.83916688098055 0.30296954148260 0.50219899196626 1.008 > 34 35 H 0.19703045851740 0.33916688098055 0.75219899196626 1.008 > 35 36 H 0.80296954148260 0.66083311901945 0.25219899196626 1.008 > 36 37 H 0.76221395758616 0.23778604241384 0.75000000000000 1.008 > 37 38 H 0.23778604241384 0.76221395758616 0.25000000000000 1.008 > 38 39 H 0.73778604241384 0.73778604241384 0.50000000000000 1.008 > 39 40 H 0.26221395758616 0.26221395758616 0.00000000000000 1.008 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4591606 0.0000000 0.0000000 0.0000000 6.4591606 0.0000000 0.0000000 0.0000000 6.7619109 -------------------------- Born effective charges -------------------------- 1 La 3.0540979 0.0505189 -0.0705429 0.0505189 3.0540979 -0.0705429 -0.0615108 -0.0615108 3.2080080 2 La 3.0540979 0.0505189 0.0705429 0.0505189 3.0540979 0.0705429 0.0615108 0.0615108 3.2080080 3 La 3.0540979 -0.0505189 -0.0705429 -0.0505189 3.0540979 0.0705429 -0.0615108 0.0615108 3.2080080 4 La 3.0540979 -0.0505189 0.0705429 -0.0505189 3.0540979 -0.0705429 0.0615108 -0.0615108 3.2080080 5 Mg 1.9120693 0.0074104 0.1529138 0.0920918 2.1376942 0.1773483 0.0705111 0.1056743 2.0900568 6 Mg 1.9120693 0.0074104 -0.1529138 0.0920918 2.1376942 -0.1773483 -0.0705111 -0.1056743 2.0900568 7 Mg 2.1376942 -0.0920918 0.1773483 -0.0074104 1.9120693 -0.1529138 0.1056743 -0.0705111 2.0900568 8 Mg 2.1376942 -0.0920918 -0.1773483 -0.0074104 1.9120693 0.1529138 -0.1056743 0.0705111 2.0900568 9 Mg 2.1376942 0.0920918 0.1773483 0.0074104 1.9120693 0.1529138 0.1056743 0.0705111 2.0900568 10 Mg 2.1376942 0.0920918 -0.1773483 0.0074104 1.9120693 -0.1529138 -0.1056743 -0.0705111 2.0900568 11 Mg 1.9120693 -0.0074104 0.1529138 -0.0920918 2.1376942 -0.1773483 0.0705111 -0.1056743 2.0900568 12 Mg 1.9120693 -0.0074104 -0.1529138 -0.0920918 2.1376942 0.1773483 -0.0705111 0.1056743 2.0900568 13 H -1.1149164 -0.0006626 -0.0250889 0.0003996 -1.1423128 0.3140489 -0.0503157 0.2641020 -0.9534773 14 H -1.1149164 -0.0006626 0.0250889 0.0003996 -1.1423128 -0.3140489 0.0503157 -0.2641020 -0.9534773 15 H -1.1423128 -0.0003996 0.3140489 0.0006626 -1.1149164 0.0250889 0.2641020 0.0503157 -0.9534773 16 H -1.1423128 -0.0003996 -0.3140489 0.0006626 -1.1149164 -0.0250889 -0.2641020 -0.0503157 -0.9534773 17 H -1.1423128 0.0003996 0.3140489 -0.0006626 -1.1149164 -0.0250889 0.2641020 -0.0503157 -0.9534773 18 H -1.1423128 0.0003996 -0.3140489 -0.0006626 -1.1149164 0.0250889 -0.2641020 0.0503157 -0.9534773 19 H -1.1149164 0.0006626 -0.0250889 -0.0003996 -1.1423128 -0.3140489 -0.0503157 -0.2641020 -0.9534773 20 H -1.1149164 0.0006626 0.0250889 -0.0003996 -1.1423128 0.3140489 0.0503157 0.2641020 -0.9534773 21 H -0.8937972 0.0759816 -0.0946647 0.0178538 -1.0469943 -0.2466194 -0.1266231 -0.1736340 -0.9565957 22 H -0.8937972 0.0759816 0.0946647 0.0178538 -1.0469943 0.2466194 0.1266231 0.1736340 -0.9565957 23 H -1.0469943 -0.0178538 -0.2466194 -0.0759816 -0.8937972 0.0946647 -0.1736340 0.1266231 -0.9565957 24 H -1.0469943 -0.0178538 0.2466194 -0.0759816 -0.8937972 -0.0946647 0.1736340 -0.1266231 -0.9565957 25 H -1.0469943 0.0178538 -0.2466194 0.0759816 -0.8937972 -0.0946647 -0.1736340 -0.1266231 -0.9565957 26 H -1.0469943 0.0178538 0.2466194 0.0759816 -0.8937972 0.0946647 0.1736340 0.1266231 -0.9565957 27 H -0.8937972 -0.0759816 -0.0946647 -0.0178538 -1.0469943 0.2466194 -0.1266231 0.1736340 -0.9565957 28 H -0.8937972 -0.0759816 0.0946647 -0.0178538 -1.0469943 -0.2466194 0.1266231 -0.1736340 -0.9565957 29 H -0.8196115 0.0971727 0.0170398 0.0479031 -1.1649146 0.0830687 0.0843503 0.0833439 -1.2095101 30 H -0.8196115 0.0971727 -0.0170398 0.0479031 -1.1649146 -0.0830687 -0.0843503 -0.0833439 -1.2095101 31 H -1.1649146 -0.0479031 0.0830687 -0.0971727 -0.8196115 -0.0170398 0.0833439 -0.0843503 -1.2095101 32 H -1.1649146 -0.0479031 -0.0830687 -0.0971727 -0.8196115 0.0170398 -0.0833439 0.0843503 -1.2095101 33 H -1.1649146 0.0479031 0.0830687 0.0971727 -0.8196115 0.0170398 0.0833439 0.0843503 -1.2095101 34 H -1.1649146 0.0479031 -0.0830687 0.0971727 -0.8196115 -0.0170398 -0.0833439 -0.0843503 -1.2095101 35 H -0.8196115 -0.0971727 0.0170398 -0.0479031 -1.1649146 -0.0830687 0.0843503 -0.0833439 -1.2095101 36 H -0.8196115 -0.0971727 -0.0170398 -0.0479031 -1.1649146 0.0830687 -0.0843503 0.0833439 -1.2095101 37 H -0.9213147 -0.0296897 -0.0142171 -0.0296897 -0.9213147 -0.0142171 0.0187226 0.0187226 -1.1489552 38 H -0.9213147 -0.0296897 0.0142171 -0.0296897 -0.9213147 0.0142171 -0.0187226 -0.0187226 -1.1489552 39 H -0.9213147 0.0296897 -0.0142171 0.0296897 -0.9213147 0.0142171 0.0187226 -0.0187226 -1.1489552 40 H -0.9213147 0.0296897 0.0142171 0.0296897 -0.9213147 -0.0142171 -0.0187226 0.0187226 -1.1489552 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, 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[ 21, 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[ 29, 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 0.0000 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 22:03:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:03:38]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_12_12 (92) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.283432340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.283432340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.429871350000001 Atomic positions (fractional): 1 La 0.27297490823226 0.72702509176774 0.75000000000000 138.905 2 La 0.72702509176774 0.27297490823226 0.25000000000000 138.905 3 La 0.22702509176774 0.22702509176774 0.50000000000000 138.905 4 La 0.77297490823226 0.77297490823226 0.00000000000000 138.905 5 Mg 0.02272147887534 0.73704393748639 0.40102880817032 24.305 6 Mg 0.97727852112466 0.26295606251361 0.90102880817032 24.305 7 Mg 0.23704393748639 0.47727852112466 0.15102880817032 24.305 8 Mg 0.76295606251361 0.52272147887534 0.65102880817032 24.305 9 Mg 0.26295606251361 0.97727852112466 0.09897119182968 24.305 10 Mg 0.73704393748639 0.02272147887534 0.59897119182968 24.305 11 Mg 0.47727852112466 0.23704393748639 0.84897119182968 24.305 12 Mg 0.52272147887534 0.76295606251361 0.34897119182968 24.305 13 H 0.03380202710693 0.95766102047569 0.61975093060967 1.008 14 H 0.96619797289307 0.04233897952431 0.11975093060967 1.008 15 H 0.45766102047569 0.46619797289307 0.36975093060967 1.008 16 H 0.54233897952431 0.53380202710693 0.86975093060967 1.008 17 H 0.04233897952431 0.96619797289307 0.88024906939033 1.008 18 H 0.95766102047569 0.03380202710693 0.38024906939033 1.008 19 H 0.46619797289307 0.45766102047569 0.63024906939033 1.008 20 H 0.53380202710693 0.54233897952431 0.13024906939033 1.008 21 H 0.07058338567039 0.56005325173088 0.57331796624791 1.008 22 H 0.92941661432961 0.43994674826912 0.07331796624791 1.008 23 H 0.06005325173088 0.42941661432961 0.32331796624791 1.008 24 H 0.93994674826912 0.57058338567039 0.82331796624791 1.008 25 H 0.43994674826912 0.92941661432961 0.92668203375209 1.008 26 H 0.56005325173088 0.07058338567039 0.42668203375209 1.008 27 H 0.42941661432961 0.06005325173088 0.67668203375209 1.008 28 H 0.57058338567039 0.93994674826912 0.17668203375209 1.008 29 H 0.30296954148260 0.83916688098055 0.49780100803374 1.008 30 H 0.69703045851740 0.16083311901945 0.99780100803374 1.008 31 H 0.33916688098055 0.19703045851740 0.24780100803374 1.008 32 H 0.66083311901945 0.80296954148260 0.74780100803374 1.008 33 H 0.16083311901945 0.69703045851740 0.00219899196626 1.008 34 H 0.83916688098055 0.30296954148260 0.50219899196626 1.008 35 H 0.19703045851740 0.33916688098055 0.75219899196626 1.008 36 H 0.80296954148260 0.66083311901945 0.25219899196626 1.008 37 H 0.76221395758616 0.23778604241384 0.75000000000000 1.008 38 H 0.23778604241384 0.76221395758616 0.25000000000000 1.008 39 H 0.73778604241384 0.73778604241384 0.50000000000000 1.008 40 H 0.26221395758616 0.26221395758616 0.00000000000000 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.283432340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.283432340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.429871350000001 Atomic positions (fractional): 1 La 0.27297490823226 0.72702509176774 0.75000000000000 138.905 > 1 2 La 0.72702509176774 0.27297490823226 0.25000000000000 138.905 > 2 3 La 0.22702509176774 0.22702509176774 0.50000000000000 138.905 > 3 4 La 0.77297490823226 0.77297490823226 0.00000000000000 138.905 > 4 5 Mg 0.02272147887534 0.73704393748639 0.40102880817032 24.305 > 5 6 Mg 0.97727852112466 0.26295606251361 0.90102880817032 24.305 > 6 7 Mg 0.23704393748639 0.47727852112466 0.15102880817032 24.305 > 7 8 Mg 0.76295606251361 0.52272147887534 0.65102880817032 24.305 > 8 9 Mg 0.26295606251361 0.97727852112466 0.09897119182968 24.305 > 9 10 Mg 0.73704393748639 0.02272147887534 0.59897119182968 24.305 > 10 11 Mg 0.47727852112466 0.23704393748639 0.84897119182968 24.305 > 11 12 Mg 0.52272147887534 0.76295606251361 0.34897119182968 24.305 > 12 13 H 0.03380202710693 0.95766102047569 0.61975093060967 1.008 > 13 14 H 0.96619797289307 0.04233897952431 0.11975093060967 1.008 > 14 15 H 0.45766102047569 0.46619797289307 0.36975093060967 1.008 > 15 16 H 0.54233897952431 0.53380202710693 0.86975093060967 1.008 > 16 17 H 0.04233897952431 0.96619797289307 0.88024906939033 1.008 > 17 18 H 0.95766102047569 0.03380202710693 0.38024906939033 1.008 > 18 19 H 0.46619797289307 0.45766102047569 0.63024906939033 1.008 > 19 20 H 0.53380202710693 0.54233897952431 0.13024906939033 1.008 > 20 21 H 0.07058338567039 0.56005325173088 0.57331796624791 1.008 > 21 22 H 0.92941661432961 0.43994674826912 0.07331796624791 1.008 > 22 23 H 0.06005325173088 0.42941661432961 0.32331796624791 1.008 > 23 24 H 0.93994674826912 0.57058338567039 0.82331796624791 1.008 > 24 25 H 0.43994674826912 0.92941661432961 0.92668203375209 1.008 > 25 26 H 0.56005325173088 0.07058338567039 0.42668203375209 1.008 > 26 27 H 0.42941661432961 0.06005325173088 0.67668203375209 1.008 > 27 28 H 0.57058338567039 0.93994674826912 0.17668203375209 1.008 > 28 29 H 0.30296954148260 0.83916688098055 0.49780100803374 1.008 > 29 30 H 0.69703045851740 0.16083311901945 0.99780100803374 1.008 > 30 31 H 0.33916688098055 0.19703045851740 0.24780100803374 1.008 > 31 32 H 0.66083311901945 0.80296954148260 0.74780100803374 1.008 > 32 33 H 0.16083311901945 0.69703045851740 0.00219899196626 1.008 > 33 34 H 0.83916688098055 0.30296954148260 0.50219899196626 1.008 > 34 35 H 0.19703045851740 0.33916688098055 0.75219899196626 1.008 > 35 36 H 0.80296954148260 0.66083311901945 0.25219899196626 1.008 > 36 37 H 0.76221395758616 0.23778604241384 0.75000000000000 1.008 > 37 38 H 0.23778604241384 0.76221395758616 0.25000000000000 1.008 > 38 39 H 0.73778604241384 0.73778604241384 0.50000000000000 1.008 > 39 40 H 0.26221395758616 0.26221395758616 0.00000000000000 1.008 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.4591606 0.0000000 0.0000000 0.0000000 6.4591606 0.0000000 0.0000000 0.0000000 6.7619109 -------------------------- Born effective charges -------------------------- 1 La 3.0540979 0.0505189 -0.0705429 0.0505189 3.0540979 -0.0705429 -0.0615108 -0.0615108 3.2080080 2 La 3.0540979 0.0505189 0.0705429 0.0505189 3.0540979 0.0705429 0.0615108 0.0615108 3.2080080 3 La 3.0540979 -0.0505189 -0.0705429 -0.0505189 3.0540979 0.0705429 -0.0615108 0.0615108 3.2080080 4 La 3.0540979 -0.0505189 0.0705429 -0.0505189 3.0540979 -0.0705429 0.0615108 -0.0615108 3.2080080 5 Mg 1.9120693 0.0074104 0.1529138 0.0920918 2.1376942 0.1773483 0.0705111 0.1056743 2.0900568 6 Mg 1.9120693 0.0074104 -0.1529138 0.0920918 2.1376942 -0.1773483 -0.0705111 -0.1056743 2.0900568 7 Mg 2.1376942 -0.0920918 0.1773483 -0.0074104 1.9120693 -0.1529138 0.1056743 -0.0705111 2.0900568 8 Mg 2.1376942 -0.0920918 -0.1773483 -0.0074104 1.9120693 0.1529138 -0.1056743 0.0705111 2.0900568 9 Mg 2.1376942 0.0920918 0.1773483 0.0074104 1.9120693 0.1529138 0.1056743 0.0705111 2.0900568 10 Mg 2.1376942 0.0920918 -0.1773483 0.0074104 1.9120693 -0.1529138 -0.1056743 -0.0705111 2.0900568 11 Mg 1.9120693 -0.0074104 0.1529138 -0.0920918 2.1376942 -0.1773483 0.0705111 -0.1056743 2.0900568 12 Mg 1.9120693 -0.0074104 -0.1529138 -0.0920918 2.1376942 0.1773483 -0.0705111 0.1056743 2.0900568 13 H -1.1149164 -0.0006626 -0.0250889 0.0003996 -1.1423128 0.3140489 -0.0503157 0.2641020 -0.9534773 14 H -1.1149164 -0.0006626 0.0250889 0.0003996 -1.1423128 -0.3140489 0.0503157 -0.2641020 -0.9534773 15 H -1.1423128 -0.0003996 0.3140489 0.0006626 -1.1149164 0.0250889 0.2641020 0.0503157 -0.9534773 16 H -1.1423128 -0.0003996 -0.3140489 0.0006626 -1.1149164 -0.0250889 -0.2641020 -0.0503157 -0.9534773 17 H -1.1423128 0.0003996 0.3140489 -0.0006626 -1.1149164 -0.0250889 0.2641020 -0.0503157 -0.9534773 18 H -1.1423128 0.0003996 -0.3140489 -0.0006626 -1.1149164 0.0250889 -0.2641020 0.0503157 -0.9534773 19 H -1.1149164 0.0006626 -0.0250889 -0.0003996 -1.1423128 -0.3140489 -0.0503157 -0.2641020 -0.9534773 20 H -1.1149164 0.0006626 0.0250889 -0.0003996 -1.1423128 0.3140489 0.0503157 0.2641020 -0.9534773 21 H -0.8937972 0.0759816 -0.0946647 0.0178538 -1.0469943 -0.2466194 -0.1266231 -0.1736340 -0.9565957 22 H -0.8937972 0.0759816 0.0946647 0.0178538 -1.0469943 0.2466194 0.1266231 0.1736340 -0.9565957 23 H -1.0469943 -0.0178538 -0.2466194 -0.0759816 -0.8937972 0.0946647 -0.1736340 0.1266231 -0.9565957 24 H -1.0469943 -0.0178538 0.2466194 -0.0759816 -0.8937972 -0.0946647 0.1736340 -0.1266231 -0.9565957 25 H -1.0469943 0.0178538 -0.2466194 0.0759816 -0.8937972 -0.0946647 -0.1736340 -0.1266231 -0.9565957 26 H -1.0469943 0.0178538 0.2466194 0.0759816 -0.8937972 0.0946647 0.1736340 0.1266231 -0.9565957 27 H -0.8937972 -0.0759816 -0.0946647 -0.0178538 -1.0469943 0.2466194 -0.1266231 0.1736340 -0.9565957 28 H -0.8937972 -0.0759816 0.0946647 -0.0178538 -1.0469943 -0.2466194 0.1266231 -0.1736340 -0.9565957 29 H -0.8196115 0.0971727 0.0170398 0.0479031 -1.1649146 0.0830687 0.0843503 0.0833439 -1.2095101 30 H -0.8196115 0.0971727 -0.0170398 0.0479031 -1.1649146 -0.0830687 -0.0843503 -0.0833439 -1.2095101 31 H -1.1649146 -0.0479031 0.0830687 -0.0971727 -0.8196115 -0.0170398 0.0833439 -0.0843503 -1.2095101 32 H -1.1649146 -0.0479031 -0.0830687 -0.0971727 -0.8196115 0.0170398 -0.0833439 0.0843503 -1.2095101 33 H -1.1649146 0.0479031 0.0830687 0.0971727 -0.8196115 0.0170398 0.0833439 0.0843503 -1.2095101 34 H -1.1649146 0.0479031 -0.0830687 0.0971727 -0.8196115 -0.0170398 -0.0833439 -0.0843503 -1.2095101 35 H -0.8196115 -0.0971727 0.0170398 -0.0479031 -1.1649146 -0.0830687 0.0843503 -0.0833439 -1.2095101 36 H -0.8196115 -0.0971727 -0.0170398 -0.0479031 -1.1649146 0.0830687 -0.0843503 0.0833439 -1.2095101 37 H -0.9213147 -0.0296897 -0.0142171 -0.0296897 -0.9213147 -0.0142171 0.0187226 0.0187226 -1.1489552 38 H -0.9213147 -0.0296897 0.0142171 -0.0296897 -0.9213147 0.0142171 -0.0187226 -0.0187226 -1.1489552 39 H -0.9213147 0.0296897 -0.0142171 0.0296897 -0.9213147 0.0142171 0.0187226 -0.0187226 -1.1489552 40 H -0.9213147 0.0296897 0.0142171 0.0296897 -0.9213147 -0.0142171 -0.0187226 0.0187226 -1.1489552 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 311, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 -0.000 -0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 3.434 ( -0.000 0.000 0.000) 0.000 3.455 ( -0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 -0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 -0.000 0.000) 0.000 4.297 ( 0.000 -0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.846 ( 0.000 0.000 -0.000) 0.000 4.846 ( 0.000 0.000 -0.000) 0.000 5.119 ( -0.000 0.000 0.000) 0.000 5.266 ( 0.000 -0.000 0.000) 0.000 5.266 ( 0.000 0.000 -0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 -0.000 -0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.902 ( -0.000 -0.000 0.000) 0.000 7.221 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.424 ( 0.000 0.000 -0.000) 0.000 7.424 ( 0.000 0.000 0.000) 0.000 7.679 ( 0.000 -0.000 0.000) 0.000 7.926 ( -0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.282 ( 0.000 0.000 -0.000) 0.000 8.888 ( 0.000 0.000 0.000) 0.000 8.888 ( -0.000 0.000 -0.000) 0.000 10.447 ( 0.000 0.000 -0.000) 0.000 12.210 ( 0.000 0.000 0.000) 0.000 13.573 ( 0.000 -0.000 0.000) 0.000 16.330 ( 0.000 0.000 0.000) 0.000 16.330 ( 0.000 0.000 -0.000) 0.000 17.167 ( 0.000 0.000 -0.000) 0.000 17.934 ( 0.000 -0.000 0.000) 0.000 18.458 ( 0.000 0.000 0.000) 0.000 18.902 ( 0.000 -0.000 -0.000) 0.000 18.902 ( -0.000 0.000 -0.000) 0.000 19.016 ( 0.000 0.000 0.000) 0.000 19.016 ( 0.000 0.000 0.000) 0.000 19.518 ( 0.000 0.000 0.000) 0.000 21.297 ( 0.000 0.000 0.000) 0.000 21.389 ( 0.000 0.000 -0.000) 0.000 21.389 ( 0.000 0.000 0.000) 0.000 21.441 ( 0.000 0.000 0.000) 0.000 22.331 ( 0.000 0.000 0.000) 0.000 22.466 ( 0.000 0.000 0.000) 0.000 22.466 ( 0.000 -0.000 0.000) 0.000 22.616 ( 0.000 0.000 0.000) 0.000 23.190 ( 0.000 -0.000 0.000) 0.000 23.834 ( 0.000 -0.000 0.000) 0.000 23.834 ( 0.000 -0.000 -0.000) 0.000 24.103 ( -0.000 0.000 0.000) 0.000 24.515 ( 0.000 0.000 0.000) 0.000 24.645 ( 0.000 0.000 0.000) 0.000 24.787 ( 0.000 0.000 -0.000) 0.000 24.787 ( 0.000 0.000 0.000) 0.000 25.652 ( -0.000 0.000 -0.000) 0.000 25.961 ( 0.000 0.000 0.000) 0.000 25.961 ( 0.000 0.000 0.000) 0.000 25.985 ( 0.000 -0.000 0.000) 0.000 27.332 ( -0.000 0.000 -0.000) 0.000 27.332 ( 0.000 0.000 0.000) 0.000 27.632 ( 0.000 -0.000 -0.000) 0.000 27.745 ( 0.000 0.000 0.000) 0.000 28.376 ( -0.000 0.000 -0.000) 0.000 28.376 ( 0.000 0.000 0.000) 0.000 28.402 ( 0.000 0.000 0.000) 0.000 28.462 ( 0.000 0.000 0.000) 0.000 28.624 ( 0.000 0.000 -0.000) 0.000 29.092 ( -0.000 0.000 0.000) 0.000 29.248 ( -0.000 0.000 0.000) 0.000 29.385 ( -0.000 0.000 -0.000) 0.000 29.385 ( 0.000 -0.000 0.000) 0.000 29.959 ( 0.000 0.000 0.000) 0.000 29.959 ( 0.000 0.000 0.000) 0.000 30.048 ( 0.000 0.000 0.000) 0.000 30.526 ( 0.000 -0.000 0.000) 0.000 30.611 ( 0.000 0.000 0.000) 0.000 30.858 ( 0.000 0.000 -0.000) 0.000 30.858 ( 0.000 0.000 0.000) 0.000 31.144 ( 0.000 -0.000 0.000) 0.000 31.407 ( 0.000 0.000 0.000) 0.000 32.326 ( -0.000 0.000 -0.000) 0.000 32.326 ( 0.000 -0.000 -0.000) 0.000 32.333 ( 0.000 0.000 0.000) 0.000 32.397 ( -0.000 0.000 -0.000) 0.000 32.507 ( 0.000 0.000 0.000) 0.000 32.507 ( -0.000 0.000 0.000) 0.000 32.759 ( 0.000 0.000 0.000) 0.000 33.224 ( 0.000 0.000 0.000) 0.000 33.224 ( 0.000 0.000 0.000) 0.000 33.913 ( -0.000 0.000 0.000) 0.000 33.913 ( 0.000 0.000 0.000) 0.000 34.325 ( 0.000 -0.000 0.000) 0.000 34.470 ( -0.000 0.000 0.000) 0.000 34.656 ( 0.000 0.000 0.000) 0.000 35.216 ( -0.000 0.000 0.000) 0.000 35.452 ( 0.000 -0.000 0.000) 0.000 35.457 ( 0.000 0.000 -0.000) 0.000 35.939 ( 0.000 0.000 0.000) 0.000 35.939 ( 0.000 0.000 -0.000) 0.000 36.411 ( 0.000 0.000 0.000) 0.000 36.758 ( 0.000 0.000 0.000) 0.000 36.758 ( 0.000 0.000 0.000) 0.000 36.955 ( 0.000 -0.000 0.000) 0.000 36.955 ( 0.000 0.000 0.000) 0.000 37.372 ( 0.000 0.000 -0.000) 0.000 38.097 ( 0.000 0.000 0.000) 0.000 38.213 ( 0.000 0.000 -0.000) 0.000 38.516 ( 0.000 0.000 0.000) 0.000 38.819 ( -0.000 0.000 0.000) 0.000 38.819 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 34.228 0.000 0.000) 34.228 0.768 ( 36.110 0.000 0.000) 36.110 1.166 ( 56.795 0.000 0.000) 56.795 2.727 ( 3.511 0.000 0.000) 3.511 2.824 ( 4.987 0.000 0.000) 4.987 3.429 ( -0.454 0.000 0.000) 0.454 3.470 ( 1.563 0.000 0.000) 1.563 3.562 ( -8.218 0.000 0.000) 8.218 3.673 ( 2.798 0.000 0.000) 2.798 4.198 ( -1.852 0.000 0.000) 1.852 4.227 ( -3.726 0.000 0.000) 3.726 4.254 ( -1.323 0.000 0.000) 1.323 4.347 ( 2.268 0.000 0.000) 2.268 4.464 ( -1.563 0.000 0.000) 1.563 4.862 ( 1.393 0.000 0.000) 1.393 4.944 ( 6.809 0.000 0.000) 6.809 5.170 ( 6.355 0.000 0.000) 6.355 5.270 ( 0.423 0.000 0.000) 0.423 5.275 ( 1.048 0.000 0.000) 1.048 5.361 ( -1.183 0.000 0.000) 1.183 5.489 ( 12.662 0.000 0.000) 12.662 6.484 ( -6.725 0.000 0.000) 6.725 6.537 ( -3.702 0.000 0.000) 3.702 7.042 ( 10.558 0.000 0.000) 10.558 7.106 ( -9.970 0.000 0.000) 9.970 7.369 ( -3.308 0.000 0.000) 3.308 7.447 ( 0.164 0.000 0.000) 0.164 7.459 ( 1.417 0.000 0.000) 1.417 7.682 ( -1.144 0.000 0.000) 1.144 7.884 ( -2.437 0.000 0.000) 2.437 8.020 ( -1.327 0.000 0.000) 1.327 8.021 ( -2.733 0.000 0.000) 2.733 8.276 ( -0.643 0.000 0.000) 0.643 8.785 ( -10.131 0.000 0.000) 10.131 8.938 ( 4.726 0.000 0.000) 4.726 10.380 ( -6.628 0.000 0.000) 6.628 12.270 ( 5.862 0.000 0.000) 5.862 13.520 ( -5.174 0.000 0.000) 5.174 16.407 ( 7.542 0.000 0.000) 7.542 17.147 ( 1.940 0.000 0.000) 1.940 17.414 ( 16.934 0.000 0.000) 16.934 17.984 ( 5.127 0.000 0.000) 5.127 18.597 ( 13.588 0.000 0.000) 13.588 18.810 ( -8.114 0.000 0.000) 8.114 18.831 ( -7.265 0.000 0.000) 7.265 18.983 ( -3.313 0.000 0.000) 3.313 19.168 ( 2.643 0.000 0.000) 2.643 19.569 ( 3.559 0.000 0.000) 3.559 21.171 ( -11.062 0.000 0.000) 11.062 21.190 ( -12.081 0.000 0.000) 12.081 21.699 ( 15.721 0.000 0.000) 15.721 22.272 ( -0.833 0.000 0.000) 0.833 22.298 ( -2.712 0.000 0.000) 2.712 22.577 ( 6.377 0.000 0.000) 6.377 22.692 ( 6.575 0.000 0.000) 6.575 23.268 ( 6.959 0.000 0.000) 6.959 23.440 ( -0.528 0.000 0.000) 0.528 23.854 ( 1.970 0.000 0.000) 1.970 24.103 ( -0.756 0.000 0.000) 0.756 24.262 ( 0.641 0.000 0.000) 0.641 24.468 ( -3.894 0.000 0.000) 3.894 24.618 ( -2.854 0.000 0.000) 2.854 24.844 ( 5.927 0.000 0.000) 5.927 25.578 ( -6.701 0.000 0.000) 6.701 25.794 ( 3.260 0.000 0.000) 3.260 25.937 ( -4.839 0.000 0.000) 4.839 26.000 ( 4.783 0.000 0.000) 4.783 26.711 ( -5.147 0.000 0.000) 5.147 27.271 ( -5.423 0.000 0.000) 5.423 27.703 ( -4.197 0.000 0.000) 4.197 27.741 ( 8.897 0.000 0.000) 8.897 28.037 ( -12.982 0.000 0.000) 12.982 28.386 ( -5.675 0.000 0.000) 5.675 28.414 ( 2.828 0.000 0.000) 2.828 28.485 ( 1.572 0.000 0.000) 1.572 28.719 ( -5.234 0.000 0.000) 5.234 28.724 ( 8.578 0.000 0.000) 8.578 29.165 ( -7.479 0.000 0.000) 7.479 29.190 ( 6.593 0.000 0.000) 6.593 29.436 ( 4.397 0.000 0.000) 4.397 29.490 ( -14.418 0.000 0.000) 14.418 29.972 ( 3.088 0.000 0.000) 3.088 30.045 ( -0.417 0.000 0.000) 0.417 30.485 ( -9.839 0.000 0.000) 9.839 30.694 ( 10.296 0.000 0.000) 10.296 30.814 ( -3.927 0.000 0.000) 3.927 30.923 ( 4.776 0.000 0.000) 4.776 31.085 ( -5.336 0.000 0.000) 5.336 31.558 ( 13.061 0.000 0.000) 13.061 31.952 ( -0.763 0.000 0.000) 0.763 32.173 ( -11.076 0.000 0.000) 11.076 32.206 ( -8.243 0.000 0.000) 8.243 32.419 ( -4.317 0.000 0.000) 4.317 32.445 ( 2.640 0.000 0.000) 2.640 32.606 ( 14.192 0.000 0.000) 14.192 32.691 ( -5.623 0.000 0.000) 5.623 33.187 ( -1.482 0.000 0.000) 1.482 33.196 ( -2.655 0.000 0.000) 2.655 33.546 ( -1.355 0.000 0.000) 1.355 33.766 ( -10.628 0.000 0.000) 10.628 33.852 ( -4.110 0.000 0.000) 4.110 34.410 ( 6.701 0.000 0.000) 6.701 34.533 ( 2.559 0.000 0.000) 2.559 34.736 ( 6.703 0.000 0.000) 6.703 35.112 ( -11.344 0.000 0.000) 11.344 35.418 ( -2.565 0.000 0.000) 2.565 35.488 ( 6.142 0.000 0.000) 6.142 35.892 ( -4.829 0.000 0.000) 4.829 36.029 ( 6.675 0.000 0.000) 6.675 36.296 ( -8.888 0.000 0.000) 8.888 36.792 ( 1.802 0.000 0.000) 1.802 36.886 ( -3.686 0.000 0.000) 3.686 36.943 ( -0.728 0.000 0.000) 0.728 37.443 ( -2.995 0.000 0.000) 2.995 37.472 ( 8.865 0.000 0.000) 8.865 38.074 ( -2.191 0.000 0.000) 2.191 38.254 ( 3.924 0.000 0.000) 3.924 38.534 ( 1.806 0.000 0.000) 1.806 38.866 ( 4.338 0.000 0.000) 4.338 38.958 ( 3.281 0.000 0.000) 3.281 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 31.418 0.000 0.000) 31.418 1.465 ( 33.526 0.000 0.000) 33.526 2.220 ( 47.892 0.000 0.000) 47.892 2.790 ( 1.311 0.000 0.000) 1.311 2.952 ( 7.681 0.000 0.000) 7.681 3.333 ( -14.155 0.000 0.000) 14.155 3.416 ( -1.055 0.000 0.000) 1.055 3.512 ( 2.532 0.000 0.000) 2.532 3.743 ( 3.923 0.000 0.000) 3.923 4.049 ( -10.074 0.000 0.000) 10.074 4.140 ( -5.315 0.000 0.000) 5.315 4.238 ( -3.621 0.000 0.000) 3.621 4.393 ( 2.700 0.000 0.000) 2.700 4.496 ( 5.133 0.000 0.000) 5.133 4.888 ( 0.795 0.000 0.000) 0.795 4.964 ( -5.829 0.000 0.000) 5.829 5.288 ( 1.575 0.000 0.000) 1.575 5.326 ( 8.608 0.000 0.000) 8.608 5.386 ( 3.305 0.000 0.000) 3.305 5.461 ( 19.113 0.000 0.000) 19.113 5.829 ( 21.343 0.000 0.000) 21.343 6.388 ( -2.320 0.000 0.000) 2.320 6.429 ( -7.188 0.000 0.000) 7.188 6.859 ( -14.291 0.000 0.000) 14.291 7.257 ( 10.537 0.000 0.000) 10.537 7.282 ( -5.348 0.000 0.000) 5.348 7.378 ( -9.020 0.000 0.000) 9.020 7.483 ( 0.704 0.000 0.000) 0.704 7.582 ( -6.425 0.000 0.000) 6.425 7.897 ( 1.718 0.000 0.000) 1.718 7.953 ( -3.706 0.000 0.000) 3.706 7.979 ( -1.605 0.000 0.000) 1.605 8.256 ( -1.401 0.000 0.000) 1.401 8.504 ( -17.237 0.000 0.000) 17.237 9.082 ( 9.810 0.000 0.000) 9.810 10.193 ( -11.848 0.000 0.000) 11.848 12.433 ( 10.124 0.000 0.000) 10.124 13.374 ( -9.267 0.000 0.000) 9.267 16.617 ( 13.156 0.000 0.000) 13.156 17.225 ( 4.941 0.000 0.000) 4.941 17.799 ( 18.039 0.000 0.000) 18.039 18.177 ( 16.589 0.000 0.000) 16.589 18.617 ( -10.762 0.000 0.000) 10.762 18.652 ( -8.481 0.000 0.000) 8.481 18.882 ( -6.819 0.000 0.000) 6.819 18.977 ( 23.114 0.000 0.000) 23.114 19.249 ( 5.711 0.000 0.000) 5.711 19.603 ( -0.823 0.000 0.000) 0.823 20.836 ( -22.882 0.000 0.000) 22.882 20.925 ( -14.634 0.000 0.000) 14.634 22.045 ( 18.889 0.000 0.000) 18.889 22.260 ( -0.624 0.000 0.000) 0.624 22.335 ( 5.545 0.000 0.000) 5.545 22.680 ( 5.049 0.000 0.000) 5.049 22.825 ( 5.496 0.000 0.000) 5.496 23.418 ( 1.954 0.000 0.000) 1.954 23.429 ( 4.357 0.000 0.000) 4.357 23.879 ( -1.503 0.000 0.000) 1.503 24.074 ( -0.188 0.000 0.000) 0.188 24.275 ( 0.511 0.000 0.000) 0.511 24.386 ( -4.052 0.000 0.000) 4.052 24.526 ( -6.335 0.000 0.000) 6.335 25.035 ( 13.114 0.000 0.000) 13.114 25.451 ( -4.213 0.000 0.000) 4.213 25.797 ( -9.003 0.000 0.000) 9.003 25.917 ( 9.585 0.000 0.000) 9.585 26.165 ( 11.445 0.000 0.000) 11.445 26.553 ( -10.728 0.000 0.000) 10.728 27.129 ( -8.441 0.000 0.000) 8.441 27.556 ( -11.883 0.000 0.000) 11.883 27.770 ( -11.259 0.000 0.000) 11.259 27.917 ( 7.835 0.000 0.000) 7.835 28.176 ( -14.143 0.000 0.000) 14.143 28.341 ( -10.879 0.000 0.000) 10.879 28.546 ( 7.559 0.000 0.000) 7.559 28.703 ( -2.555 0.000 0.000) 2.555 28.915 ( 5.461 0.000 0.000) 5.461 29.004 ( -1.393 0.000 0.000) 1.393 29.276 ( 2.376 0.000 0.000) 2.376 29.348 ( 1.847 0.000 0.000) 1.847 29.553 ( 7.375 0.000 0.000) 7.375 30.025 ( -1.925 0.000 0.000) 1.925 30.125 ( 10.977 0.000 0.000) 10.977 30.298 ( -7.149 0.000 0.000) 7.149 30.723 ( -5.561 0.000 0.000) 5.561 30.758 ( -5.417 0.000 0.000) 5.417 30.982 ( -2.625 0.000 0.000) 2.625 31.026 ( 5.594 0.000 0.000) 5.594 31.801 ( 4.696 0.000 0.000) 4.696 31.897 ( -9.187 0.000 0.000) 9.187 31.992 ( -2.179 0.000 0.000) 2.179 32.008 ( -6.860 0.000 0.000) 6.860 32.243 ( -9.274 0.000 0.000) 9.274 32.555 ( -8.168 0.000 0.000) 8.168 32.559 ( 5.738 0.000 0.000) 5.738 32.890 ( 9.735 0.000 0.000) 9.735 33.134 ( -2.294 0.000 0.000) 2.294 33.134 ( -2.267 0.000 0.000) 2.267 33.476 ( -0.237 0.000 0.000) 0.237 33.597 ( -5.377 0.000 0.000) 5.377 33.864 ( 1.842 0.000 0.000) 1.842 34.548 ( -1.165 0.000 0.000) 1.165 34.552 ( 7.260 0.000 0.000) 7.260 34.778 ( -4.010 0.000 0.000) 4.010 34.860 ( -11.102 0.000 0.000) 11.102 35.424 ( 2.386 0.000 0.000) 2.386 35.651 ( 8.618 0.000 0.000) 8.618 35.755 ( -7.130 0.000 0.000) 7.130 36.138 ( 3.496 0.000 0.000) 3.496 36.139 ( -5.977 0.000 0.000) 5.977 36.797 ( -1.314 0.000 0.000) 1.314 36.800 ( -4.451 0.000 0.000) 4.451 36.951 ( 1.861 0.000 0.000) 1.861 37.360 ( -5.188 0.000 0.000) 5.188 37.667 ( 9.557 0.000 0.000) 9.557 38.022 ( -2.681 0.000 0.000) 2.681 38.357 ( 6.026 0.000 0.000) 6.026 38.577 ( 2.054 0.000 0.000) 2.054 38.971 ( 5.676 0.000 0.000) 5.676 39.034 ( 3.980 0.000 0.000) 3.980 ======================= Grid point 3 (4/45) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 27.834 0.000 0.000) 27.834 2.085 ( 28.365 0.000 0.000) 28.365 2.721 ( -9.406 0.000 0.000) 9.406 2.897 ( -1.112 0.000 0.000) 1.112 3.114 ( 8.955 0.000 0.000) 8.955 3.163 ( 17.427 0.000 0.000) 17.427 3.375 ( -3.415 0.000 0.000) 3.415 3.573 ( 3.728 0.000 0.000) 3.728 3.815 ( 2.111 0.000 0.000) 2.111 3.843 ( -9.847 0.000 0.000) 9.847 4.005 ( -7.602 0.000 0.000) 7.602 4.124 ( -6.913 0.000 0.000) 6.913 4.467 ( 4.871 0.000 0.000) 4.871 4.614 ( 4.745 0.000 0.000) 4.745 4.815 ( -6.449 0.000 0.000) 6.449 4.878 ( -1.959 0.000 0.000) 1.959 5.334 ( 2.832 0.000 0.000) 2.832 5.410 ( 0.434 0.000 0.000) 0.434 5.574 ( 14.430 0.000 0.000) 14.430 5.932 ( 25.955 0.000 0.000) 25.955 6.232 ( -13.436 0.000 0.000) 13.436 6.290 ( 20.469 0.000 0.000) 20.469 6.422 ( 9.529 0.000 0.000) 9.529 6.575 ( -12.945 0.000 0.000) 12.945 7.061 ( -21.252 0.000 0.000) 21.252 7.140 ( -10.026 0.000 0.000) 10.026 7.453 ( 9.034 0.000 0.000) 9.034 7.486 ( -0.086 0.000 0.000) 0.086 7.505 ( -1.973 0.000 0.000) 1.973 7.818 ( -8.206 0.000 0.000) 8.206 7.896 ( -1.218 0.000 0.000) 1.218 8.026 ( 2.924 0.000 0.000) 2.924 8.166 ( -13.398 0.000 0.000) 13.398 8.216 ( -2.744 0.000 0.000) 2.744 9.321 ( 13.823 0.000 0.000) 13.823 9.923 ( -14.862 0.000 0.000) 14.862 12.660 ( 12.374 0.000 0.000) 12.374 13.162 ( -11.837 0.000 0.000) 11.837 16.906 ( 15.128 0.000 0.000) 15.128 17.290 ( -0.080 0.000 0.000) 0.080 18.044 ( 8.250 0.000 0.000) 8.250 18.398 ( -10.923 0.000 0.000) 10.923 18.442 ( 1.319 0.000 0.000) 1.319 18.717 ( -9.478 0.000 0.000) 9.478 18.790 ( 29.335 0.000 0.000) 29.335 19.364 ( 10.441 0.000 0.000) 10.441 19.519 ( 26.339 0.000 0.000) 26.339 19.531 ( -6.276 0.000 0.000) 6.276 20.299 ( -30.487 0.000 0.000) 30.487 20.563 ( -21.930 0.000 0.000) 21.930 22.278 ( 2.230 0.000 0.000) 2.230 22.374 ( 3.171 0.000 0.000) 3.171 22.455 ( 15.485 0.000 0.000) 15.485 22.847 ( 12.226 0.000 0.000) 12.226 22.872 ( -1.377 0.000 0.000) 1.377 23.349 ( -7.031 0.000 0.000) 7.031 23.557 ( 5.553 0.000 0.000) 5.553 23.781 ( -6.479 0.000 0.000) 6.479 24.133 ( 4.819 0.000 0.000) 4.819 24.281 ( 0.104 0.000 0.000) 0.104 24.318 ( -2.486 0.000 0.000) 2.486 24.382 ( -7.483 0.000 0.000) 7.483 25.280 ( 7.530 0.000 0.000) 7.530 25.512 ( 13.660 0.000 0.000) 13.660 25.594 ( -10.704 0.000 0.000) 10.704 26.152 ( 9.594 0.000 0.000) 9.594 26.296 ( -11.813 0.000 0.000) 11.813 26.405 ( 9.977 0.000 0.000) 9.977 26.985 ( -3.601 0.000 0.000) 3.601 27.287 ( -12.241 0.000 0.000) 12.241 27.590 ( -7.997 0.000 0.000) 7.997 27.832 ( -17.811 0.000 0.000) 17.811 28.063 ( 5.529 0.000 0.000) 5.529 28.183 ( -4.006 0.000 0.000) 4.006 28.575 ( -7.661 0.000 0.000) 7.661 28.581 ( -5.463 0.000 0.000) 5.463 28.898 ( 5.538 0.000 0.000) 5.538 29.250 ( -5.938 0.000 0.000) 5.938 29.307 ( 20.602 0.000 0.000) 20.602 29.521 ( 12.316 0.000 0.000) 12.316 29.720 ( 9.310 0.000 0.000) 9.310 29.968 ( -3.193 0.000 0.000) 3.193 30.116 ( -6.884 0.000 0.000) 6.884 30.421 ( -21.269 0.000 0.000) 21.269 30.436 ( 13.499 0.000 0.000) 13.499 30.705 ( -1.521 0.000 0.000) 1.521 31.000 ( 4.364 0.000 0.000) 4.364 31.141 ( 5.431 0.000 0.000) 5.431 31.584 ( -15.030 0.000 0.000) 15.030 31.669 ( -11.904 0.000 0.000) 11.904 31.999 ( 0.896 0.000 0.000) 0.896 32.055 ( -1.920 0.000 0.000) 1.920 32.130 ( 2.708 0.000 0.000) 2.708 32.372 ( -9.526 0.000 0.000) 9.526 32.659 ( 4.243 0.000 0.000) 4.243 32.858 ( -6.917 0.000 0.000) 6.917 33.114 ( 1.322 0.000 0.000) 1.322 33.174 ( 1.660 0.000 0.000) 1.660 33.560 ( 1.537 0.000 0.000) 1.537 33.682 ( 18.534 0.000 0.000) 18.534 33.817 ( -6.792 0.000 0.000) 6.792 34.422 ( -12.998 0.000 0.000) 12.998 34.665 ( 1.523 0.000 0.000) 1.523 34.685 ( -2.275 0.000 0.000) 2.275 34.782 ( 6.469 0.000 0.000) 6.469 35.318 ( -13.276 0.000 0.000) 13.276 35.764 ( 6.805 0.000 0.000) 6.805 35.795 ( 5.468 0.000 0.000) 5.468 36.062 ( -1.825 0.000 0.000) 1.825 36.155 ( -1.798 0.000 0.000) 1.798 36.730 ( -2.188 0.000 0.000) 2.188 36.756 ( -2.320 0.000 0.000) 2.320 37.015 ( 4.423 0.000 0.000) 4.423 37.244 ( -6.259 0.000 0.000) 6.259 37.828 ( 6.396 0.000 0.000) 6.396 37.974 ( -2.218 0.000 0.000) 2.218 38.477 ( 5.634 0.000 0.000) 5.634 38.600 ( -0.074 0.000 0.000) 0.074 39.071 ( 3.929 0.000 0.000) 3.929 39.100 ( 2.331 0.000 0.000) 2.331 ======================= Grid point 4 (5/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -22.130 0.000 0.000) 22.130 2.396 ( 22.130 0.000 0.000) 22.130 2.578 ( -21.026 0.000 0.000) 21.026 2.578 ( 21.026 0.000 0.000) 21.026 3.273 ( -6.726 0.000 0.000) 6.726 3.273 ( 6.726 0.000 0.000) 6.726 3.622 ( -13.150 0.000 0.000) 13.150 3.622 ( 13.150 0.000 0.000) 13.150 3.693 ( -0.444 0.000 0.000) 0.444 3.693 ( 0.444 0.000 0.000) 0.444 3.993 ( -5.472 0.000 0.000) 5.472 3.993 ( 5.472 0.000 0.000) 5.472 4.581 ( -6.036 0.000 0.000) 6.036 4.581 ( 6.036 0.000 0.000) 6.036 4.813 ( -4.055 0.000 0.000) 4.055 4.813 ( 4.055 0.000 0.000) 4.055 5.388 ( -2.278 0.000 0.000) 2.278 5.388 ( 2.278 0.000 0.000) 2.278 5.904 ( -17.949 0.000 0.000) 17.949 5.904 ( 17.949 0.000 0.000) 17.949 6.348 ( -12.525 0.000 0.000) 12.525 6.348 ( 12.525 0.000 0.000) 12.525 6.603 ( -21.763 0.000 0.000) 21.763 6.603 ( 21.763 0.000 0.000) 21.763 6.832 ( -21.148 0.000 0.000) 21.148 6.832 ( 21.148 0.000 0.000) 21.148 7.484 ( -0.327 0.000 0.000) 0.327 7.484 ( 0.327 0.000 0.000) 0.327 7.631 ( -9.213 0.000 0.000) 9.213 7.631 ( 9.213 0.000 0.000) 9.213 7.932 ( -5.259 0.000 0.000) 5.259 7.932 ( 5.259 0.000 0.000) 5.259 8.147 ( -3.956 0.000 0.000) 3.956 8.147 ( 3.956 0.000 0.000) 3.956 9.617 ( -15.528 0.000 0.000) 15.528 9.617 ( 15.528 0.000 0.000) 15.528 12.913 ( -12.876 0.000 0.000) 12.876 12.913 ( 12.876 0.000 0.000) 12.876 17.178 ( -10.886 0.000 0.000) 10.886 17.178 ( 10.886 0.000 0.000) 10.886 18.199 ( -8.645 0.000 0.000) 8.645 18.199 ( 8.645 0.000 0.000) 8.645 18.531 ( -8.102 0.000 0.000) 8.102 18.531 ( 8.102 0.000 0.000) 8.102 19.330 ( -17.041 0.000 0.000) 17.041 19.330 ( 17.041 0.000 0.000) 17.041 19.686 ( -26.850 0.000 0.000) 26.850 19.686 ( 26.850 0.000 0.000) 26.850 20.068 ( -27.172 0.000 0.000) 27.172 20.068 ( 27.172 0.000 0.000) 27.172 22.337 ( -3.337 0.000 0.000) 3.337 22.337 ( 3.337 0.000 0.000) 3.337 22.754 ( -10.884 0.000 0.000) 10.884 22.754 ( 10.884 0.000 0.000) 10.884 23.126 ( -14.311 0.000 0.000) 14.311 23.126 ( 14.311 0.000 0.000) 14.311 23.662 ( -5.364 0.000 0.000) 5.364 23.662 ( 5.364 0.000 0.000) 5.364 24.240 ( -5.854 0.000 0.000) 5.854 24.240 ( 5.854 0.000 0.000) 5.854 24.291 ( -0.327 0.000 0.000) 0.327 24.291 ( 0.327 0.000 0.000) 0.327 25.405 ( -7.606 0.000 0.000) 7.606 25.405 ( 7.606 0.000 0.000) 7.606 25.887 ( -20.401 0.000 0.000) 20.401 25.887 ( 20.401 0.000 0.000) 20.401 26.429 ( -7.667 0.000 0.000) 7.667 26.429 ( 7.667 0.000 0.000) 7.667 27.072 ( -10.276 0.000 0.000) 10.276 27.072 ( 10.276 0.000 0.000) 10.276 27.548 ( -7.176 0.000 0.000) 7.176 27.548 ( 7.176 0.000 0.000) 7.176 28.145 ( -2.063 0.000 0.000) 2.063 28.145 ( 2.063 0.000 0.000) 2.063 28.488 ( -0.627 0.000 0.000) 0.627 28.488 ( 0.627 0.000 0.000) 0.627 29.077 ( -10.219 0.000 0.000) 10.219 29.077 ( 10.219 0.000 0.000) 10.219 29.635 ( -6.326 0.000 0.000) 6.326 29.635 ( 6.326 0.000 0.000) 6.326 29.943 ( -5.201 0.000 0.000) 5.201 29.943 ( 5.201 0.000 0.000) 5.201 30.013 ( -8.616 0.000 0.000) 8.616 30.013 ( 8.616 0.000 0.000) 8.616 30.638 ( -6.167 0.000 0.000) 6.167 30.638 ( 6.167 0.000 0.000) 6.167 31.139 ( -7.351 0.000 0.000) 7.351 31.139 ( 7.351 0.000 0.000) 7.351 31.467 ( -5.913 0.000 0.000) 5.913 31.467 ( 5.913 0.000 0.000) 5.913 32.011 ( -0.714 0.000 0.000) 0.714 32.011 ( 0.714 0.000 0.000) 0.714 32.219 ( -5.357 0.000 0.000) 5.357 32.219 ( 5.357 0.000 0.000) 5.357 32.741 ( -4.616 0.000 0.000) 4.616 32.741 ( 4.616 0.000 0.000) 4.616 33.164 ( -2.369 0.000 0.000) 2.369 33.164 ( 2.369 0.000 0.000) 2.369 33.653 ( -7.529 0.000 0.000) 7.529 33.653 ( 7.529 0.000 0.000) 7.529 34.082 ( -19.727 0.000 0.000) 19.727 34.082 ( 19.727 0.000 0.000) 19.727 34.670 ( -0.130 0.000 0.000) 0.130 34.670 ( 0.130 0.000 0.000) 0.130 35.020 ( -14.909 0.000 0.000) 14.909 35.020 ( 14.909 0.000 0.000) 14.909 35.854 ( -0.322 0.000 0.000) 0.322 35.854 ( 0.322 0.000 0.000) 0.322 36.084 ( -3.968 0.000 0.000) 3.968 36.084 ( 3.968 0.000 0.000) 3.968 36.720 ( -1.017 0.000 0.000) 1.017 36.720 ( 1.017 0.000 0.000) 1.017 37.120 ( -5.972 0.000 0.000) 5.972 37.120 ( 5.972 0.000 0.000) 5.972 37.922 ( -3.338 0.000 0.000) 3.338 37.922 ( 3.338 0.000 0.000) 3.338 38.567 ( -3.211 0.000 0.000) 3.211 38.567 ( 3.211 0.000 0.000) 3.211 39.118 ( -0.711 0.000 0.000) 0.711 39.118 ( 0.711 0.000 0.000) 0.711 ======================= Grid point 10 (6/45) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 23.141 23.141 0.000) 32.726 1.070 ( 25.417 25.417 0.000) 35.945 1.616 ( 37.735 37.735 0.000) 53.365 2.769 ( 3.797 3.797 0.000) 5.370 2.854 ( 2.915 2.915 0.000) 4.122 3.411 ( -1.727 -1.727 0.000) 2.443 3.481 ( 1.158 1.158 0.000) 1.638 3.538 ( -4.878 -4.878 0.000) 6.898 3.648 ( -0.158 -0.158 0.000) 0.224 4.171 ( -4.011 -4.011 0.000) 5.673 4.206 ( -4.343 -4.343 0.000) 6.141 4.260 ( 3.211 3.211 0.000) 4.541 4.349 ( -0.672 -0.672 0.000) 0.951 4.476 ( 3.174 3.174 0.000) 4.489 4.949 ( 3.718 3.718 0.000) 5.258 4.983 ( 6.047 6.047 0.000) 8.551 5.179 ( -1.423 -1.423 0.000) 2.013 5.208 ( 4.795 4.795 0.000) 6.782 5.327 ( -2.167 -2.167 0.000) 3.065 5.479 ( 4.961 4.961 0.000) 7.016 5.512 ( 10.010 10.010 0.000) 14.157 6.367 ( -6.250 -6.250 0.000) 8.838 6.594 ( 0.286 0.286 0.000) 0.404 7.065 ( -5.022 -5.022 0.000) 7.103 7.076 ( 3.518 3.518 0.000) 4.975 7.351 ( -1.635 -1.635 0.000) 2.312 7.410 ( -1.161 -1.161 0.000) 1.642 7.456 ( -1.613 -1.613 0.000) 2.282 7.724 ( 2.142 2.142 0.000) 3.030 7.814 ( -5.235 -5.235 0.000) 7.403 7.942 ( -4.347 -4.347 0.000) 6.148 8.066 ( 0.904 0.904 0.000) 1.278 8.267 ( -0.817 -0.817 0.000) 1.156 8.827 ( -3.044 -3.044 0.000) 4.305 8.851 ( -1.417 -1.417 0.000) 2.004 10.312 ( -6.698 -6.698 0.000) 9.472 12.323 ( 5.275 5.275 0.000) 7.460 13.474 ( -4.612 -4.612 0.000) 6.522 16.447 ( 5.514 5.514 0.000) 7.797 17.211 ( 4.431 4.431 0.000) 6.266 17.610 ( 16.173 16.173 0.000) 22.872 17.987 ( 1.911 1.911 0.000) 2.702 18.714 ( 10.411 10.411 0.000) 14.723 18.716 ( -8.066 -8.066 0.000) 11.408 18.777 ( -3.869 -3.869 0.000) 5.471 18.893 ( -5.192 -5.192 0.000) 7.343 19.263 ( 5.858 5.858 0.000) 8.285 19.614 ( 3.536 3.536 0.000) 5.001 21.054 ( -9.826 -9.826 0.000) 13.896 21.089 ( -9.851 -9.851 0.000) 13.932 21.725 ( 4.939 4.939 0.000) 6.984 22.217 ( 0.494 0.494 0.000) 0.698 22.340 ( -2.820 -2.820 0.000) 3.988 22.559 ( 4.586 4.586 0.000) 6.486 22.808 ( 6.025 6.025 0.000) 8.520 23.367 ( 8.740 8.740 0.000) 12.360 23.530 ( 4.127 4.127 0.000) 5.837 23.772 ( -2.288 -2.288 0.000) 3.236 24.101 ( 1.445 1.445 0.000) 2.043 24.423 ( 6.706 6.706 0.000) 9.484 24.424 ( -3.533 -3.533 0.000) 4.996 24.573 ( -2.572 -2.572 0.000) 3.637 24.817 ( 0.350 0.350 0.000) 0.495 25.478 ( -7.795 -7.795 0.000) 11.024 25.799 ( -1.781 -1.781 0.000) 2.519 25.924 ( 0.122 0.122 0.000) 0.172 26.048 ( 6.342 6.342 0.000) 8.969 26.789 ( 1.242 1.242 0.000) 1.757 27.101 ( -9.978 -9.978 0.000) 14.111 27.686 ( -1.760 -1.760 0.000) 2.488 27.740 ( -1.148 -1.148 0.000) 1.624 28.162 ( -4.646 -4.646 0.000) 6.571 28.198 ( -2.466 -2.466 0.000) 3.488 28.388 ( -0.439 -0.439 0.000) 0.621 28.415 ( -7.194 -7.194 0.000) 10.174 28.804 ( 9.033 9.033 0.000) 12.774 28.928 ( 1.989 1.989 0.000) 2.812 29.146 ( -4.122 -4.122 0.000) 5.829 29.212 ( 4.847 4.847 0.000) 6.854 29.311 ( -2.180 -2.180 0.000) 3.083 29.655 ( 1.469 1.469 0.000) 2.078 29.695 ( -0.626 -0.626 0.000) 0.885 30.050 ( 0.219 0.219 0.000) 0.310 30.384 ( -8.157 -8.157 0.000) 11.535 30.768 ( -1.039 -1.039 0.000) 1.469 30.850 ( -4.526 -4.526 0.000) 6.401 30.871 ( 2.959 2.959 0.000) 4.185 31.077 ( -0.958 -0.958 0.000) 1.355 31.692 ( 9.899 9.899 0.000) 14.000 31.939 ( -1.316 -1.316 0.000) 1.860 32.126 ( -6.927 -6.927 0.000) 9.797 32.138 ( -6.188 -6.188 0.000) 8.752 32.422 ( -1.452 -1.452 0.000) 2.053 32.434 ( 1.422 1.422 0.000) 2.011 32.646 ( -3.396 -3.396 0.000) 4.803 32.672 ( 7.009 7.009 0.000) 9.912 33.226 ( -0.653 -0.653 0.000) 0.924 33.242 ( -0.516 -0.516 0.000) 0.730 33.426 ( -5.061 -5.061 0.000) 7.158 33.730 ( -2.809 -2.809 0.000) 3.972 33.785 ( -2.714 -2.714 0.000) 3.838 34.403 ( 2.361 2.361 0.000) 3.339 34.550 ( -1.239 -1.239 0.000) 1.752 34.785 ( 5.230 5.230 0.000) 7.397 35.172 ( 0.463 0.463 0.000) 0.655 35.378 ( -1.939 -1.939 0.000) 2.742 35.431 ( -0.747 -0.747 0.000) 1.057 35.905 ( -3.117 -3.117 0.000) 4.408 36.027 ( 2.153 2.153 0.000) 3.044 36.254 ( -4.244 -4.244 0.000) 6.002 36.862 ( -2.478 -2.478 0.000) 3.504 36.920 ( -0.207 -0.207 0.000) 0.292 36.926 ( 3.265 3.265 0.000) 4.618 37.216 ( -4.896 -4.896 0.000) 6.925 37.625 ( 4.535 4.535 0.000) 6.414 38.057 ( -1.598 -1.598 0.000) 2.260 38.292 ( 3.608 3.608 0.000) 5.103 38.540 ( 0.913 0.913 0.000) 1.292 38.876 ( 2.767 2.767 0.000) 3.914 39.021 ( 4.146 4.146 0.000) 5.863 ======================= Grid point 11 (7/45) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 27.118 12.880 0.000) 30.022 1.635 ( 29.455 15.841 0.000) 33.444 2.422 ( 39.461 18.654 0.000) 43.648 2.830 ( 0.704 3.968 0.000) 4.030 2.948 ( 6.905 -0.376 0.000) 6.915 3.326 ( -10.936 -1.025 0.000) 10.984 3.394 ( -3.571 -2.306 0.000) 4.251 3.516 ( 1.948 0.828 0.000) 2.117 3.679 ( 1.880 -5.011 0.000) 5.352 4.061 ( -7.774 -1.310 0.000) 7.884 4.091 ( -5.274 -4.048 0.000) 6.648 4.245 ( -4.654 -1.255 0.000) 4.820 4.374 ( 3.139 1.171 0.000) 3.350 4.596 ( 7.334 8.459 0.000) 11.196 4.960 ( -3.522 5.132 0.000) 6.225 5.042 ( -0.823 6.876 0.000) 6.925 5.193 ( 2.758 -1.790 0.000) 3.287 5.335 ( 3.676 -2.824 0.000) 4.635 5.429 ( 14.530 4.111 0.000) 15.101 5.569 ( 10.229 9.515 0.000) 13.971 5.850 ( 20.959 2.717 0.000) 21.135 6.269 ( -3.574 -5.723 0.000) 6.748 6.546 ( -4.201 5.448 0.000) 6.880 6.895 ( -11.603 2.801 0.000) 11.936 7.155 ( 2.886 -6.305 0.000) 6.934 7.312 ( -1.558 -0.654 0.000) 1.690 7.367 ( -8.091 -1.265 0.000) 8.189 7.420 ( 0.943 -4.522 0.000) 4.620 7.609 ( -8.577 1.049 0.000) 8.641 7.834 ( -5.439 -5.833 0.000) 7.975 7.852 ( 4.187 -5.316 0.000) 6.767 8.067 ( -0.425 4.201 0.000) 4.222 8.241 ( -1.934 -1.503 0.000) 2.450 8.570 ( -16.169 6.304 0.000) 17.354 8.996 ( 10.313 -8.342 0.000) 13.265 10.123 ( -11.958 -6.872 0.000) 13.791 12.472 ( 9.326 3.886 0.000) 10.103 13.342 ( -8.390 -3.188 0.000) 8.976 16.626 ( 11.889 2.037 0.000) 12.062 17.297 ( 3.673 5.226 0.000) 6.388 17.911 ( 9.518 9.527 0.000) 13.467 18.145 ( 16.123 -2.428 0.000) 16.305 18.532 ( -9.887 -8.796 0.000) 13.233 18.664 ( -2.561 2.537 0.000) 3.605 18.785 ( -5.733 -5.801 0.000) 8.156 19.048 ( 19.869 7.125 0.000) 21.107 19.384 ( 6.669 10.155 0.000) 12.149 19.663 ( 0.683 5.080 0.000) 5.125 20.772 ( -20.734 -6.826 0.000) 21.829 20.830 ( -13.930 -8.445 0.000) 16.290 21.912 ( 13.194 -8.372 0.000) 15.626 22.255 ( 1.999 -0.492 0.000) 2.059 22.314 ( 1.471 -2.394 0.000) 2.810 22.681 ( 7.571 2.640 0.000) 8.018 22.894 ( 1.870 2.888 0.000) 3.441 23.539 ( 4.648 9.284 0.000) 10.383 23.551 ( 1.276 11.415 0.000) 11.486 23.815 ( 4.267 -4.347 0.000) 6.092 24.138 ( 1.957 5.903 0.000) 6.219 24.342 ( -3.624 0.777 0.000) 3.707 24.399 ( -5.740 4.514 0.000) 7.302 24.562 ( -1.957 3.938 0.000) 4.398 24.932 ( 10.842 -8.270 0.000) 13.636 25.332 ( -6.407 -7.965 0.000) 10.222 25.747 ( -1.427 -8.411 0.000) 8.531 25.967 ( 4.650 6.591 0.000) 8.066 26.237 ( 11.889 7.280 0.000) 13.941 26.683 ( -10.082 8.557 0.000) 13.224 26.964 ( -4.841 -12.473 0.000) 13.380 27.572 ( -14.148 -5.563 0.000) 15.202 27.647 ( -4.605 -3.363 0.000) 5.702 27.968 ( -9.629 -5.345 0.000) 11.013 28.166 ( -2.549 6.119 0.000) 6.628 28.248 ( -7.357 -8.694 0.000) 11.389 28.486 ( 7.226 -4.353 0.000) 8.436 28.789 ( -8.492 11.463 0.000) 14.266 28.944 ( -7.568 -0.618 0.000) 7.593 29.090 ( 11.889 6.869 0.000) 13.731 29.336 ( 8.672 1.573 0.000) 8.814 29.440 ( 4.057 -3.619 0.000) 5.436 29.513 ( -2.405 7.064 0.000) 7.462 29.964 ( 14.603 -7.637 0.000) 16.479 30.035 ( -2.376 -0.135 0.000) 2.380 30.222 ( -7.612 -5.840 0.000) 9.594 30.683 ( -7.130 -4.257 0.000) 8.304 30.798 ( 2.621 -8.781 0.000) 9.164 30.865 ( -6.085 5.378 0.000) 8.121 31.081 ( 2.533 0.100 0.000) 2.535 31.842 ( -0.834 3.233 0.000) 3.338 31.893 ( -5.241 -1.005 0.000) 5.337 31.944 ( -7.239 -1.789 0.000) 7.457 32.000 ( -1.325 -3.623 0.000) 3.857 32.339 ( -6.604 3.823 0.000) 7.630 32.432 ( -2.757 -7.232 0.000) 7.740 32.585 ( -1.306 -1.326 0.000) 1.862 32.894 ( 8.258 6.773 0.000) 10.680 33.113 ( -8.951 -2.957 0.000) 9.427 33.156 ( -1.625 -2.466 0.000) 2.953 33.411 ( 2.345 -4.788 0.000) 5.331 33.658 ( -0.763 8.152 0.000) 8.188 33.872 ( 6.468 0.303 0.000) 6.475 34.467 ( -2.108 -4.012 0.000) 4.532 34.508 ( 3.146 -3.782 0.000) 4.919 34.853 ( -0.756 6.306 0.000) 6.351 35.035 ( -8.847 13.156 0.000) 15.854 35.390 ( 1.362 -2.735 0.000) 3.055 35.567 ( 11.720 -6.342 0.000) 13.326 35.754 ( -9.453 -0.976 0.000) 9.503 36.091 ( 2.511 -4.236 0.000) 4.924 36.156 ( -5.127 -0.045 0.000) 5.127 36.771 ( -4.791 -1.477 0.000) 5.014 36.893 ( -3.713 6.796 0.000) 7.744 36.934 ( 1.537 -1.408 0.000) 2.084 37.218 ( 0.171 -10.880 0.000) 10.881 37.720 ( 5.630 3.460 0.000) 6.609 38.015 ( -2.451 -0.591 0.000) 2.521 38.385 ( 5.422 2.647 0.000) 6.034 38.569 ( 1.636 -0.497 0.000) 1.710 38.965 ( 5.466 1.038 0.000) 5.563 39.099 ( 3.442 4.410 0.000) 5.595 ======================= Grid point 12 (8/45) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 25.605 7.310 0.000) 26.628 2.196 ( 26.077 10.621 0.000) 28.157 2.755 ( -9.345 3.194 0.000) 9.876 2.942 ( -4.490 4.028 0.000) 6.032 3.106 ( 7.641 -0.875 0.000) 7.691 3.199 ( 14.847 2.943 0.000) 15.136 3.351 ( -0.920 -1.877 0.000) 2.090 3.567 ( 3.770 0.269 0.000) 3.780 3.672 ( -3.525 -6.650 0.000) 7.526 3.944 ( -2.028 1.146 0.000) 2.330 3.967 ( -7.549 -3.144 0.000) 8.178 4.127 ( -6.776 -1.153 0.000) 6.873 4.451 ( 4.837 1.199 0.000) 4.984 4.686 ( -1.614 4.489 0.000) 4.770 4.876 ( 0.363 7.959 0.000) 7.967 5.027 ( -1.702 10.330 0.000) 10.469 5.254 ( 3.335 -2.820 0.000) 4.367 5.361 ( -0.717 -2.524 0.000) 2.624 5.704 ( 13.425 9.428 0.000) 16.405 5.957 ( 24.710 2.483 0.000) 24.835 6.185 ( -4.461 -2.186 0.000) 4.968 6.332 ( 24.051 1.244 0.000) 24.083 6.472 ( -1.480 5.275 0.000) 5.479 6.646 ( -11.530 6.519 0.000) 13.246 7.063 ( -20.445 0.087 0.000) 20.445 7.112 ( -7.937 -2.850 0.000) 8.433 7.351 ( 3.986 -7.557 0.000) 8.544 7.447 ( 1.891 -4.055 0.000) 4.474 7.493 ( -3.657 -2.650 0.000) 4.516 7.688 ( -8.386 -7.768 0.000) 11.431 7.945 ( 3.838 -2.161 0.000) 4.405 8.069 ( 1.259 5.671 0.000) 5.809 8.175 ( -5.956 -2.334 0.000) 6.397 8.264 ( -11.320 7.736 0.000) 13.711 9.243 ( 14.109 -7.610 0.000) 16.031 9.851 ( -14.974 -7.073 0.000) 16.561 12.682 ( 11.520 2.232 0.000) 11.734 13.148 ( -10.892 -1.378 0.000) 10.979 16.895 ( 14.503 -0.293 0.000) 14.506 17.318 ( -2.742 1.776 0.000) 3.267 18.036 ( 5.304 -0.754 0.000) 5.358 18.322 ( -6.906 -6.955 0.000) 9.802 18.381 ( 1.350 -5.771 0.000) 5.927 18.624 ( -7.482 -4.637 0.000) 8.802 18.935 ( 27.074 11.228 0.000) 29.310 19.412 ( 12.479 2.840 0.000) 12.798 19.564 ( 7.823 7.919 0.000) 11.131 19.666 ( 6.862 9.353 0.000) 11.600 20.271 ( -28.790 -2.972 0.000) 28.943 20.503 ( -19.207 -5.460 0.000) 19.968 22.172 ( 9.187 -9.437 0.000) 13.170 22.330 ( -0.744 -5.382 0.000) 5.433 22.357 ( 11.092 -5.070 0.000) 12.196 22.853 ( -5.563 -3.684 0.000) 6.672 22.897 ( 13.441 5.518 0.000) 14.530 23.462 ( -8.697 9.831 0.000) 13.125 23.646 ( 4.449 7.493 0.000) 8.714 23.846 ( -2.537 5.504 0.000) 6.060 24.184 ( 2.971 4.469 0.000) 5.366 24.307 ( -2.162 1.003 0.000) 2.384 24.312 ( 0.226 1.723 0.000) 1.738 24.476 ( -5.532 9.526 0.000) 11.016 25.139 ( 6.997 -13.173 0.000) 14.916 25.233 ( -3.214 -13.262 0.000) 13.646 25.804 ( 8.479 5.716 0.000) 10.226 26.128 ( 10.353 0.996 0.000) 10.401 26.409 ( -4.906 9.381 0.000) 10.586 26.497 ( -1.212 6.076 0.000) 6.196 26.914 ( 3.076 -5.021 0.000) 5.888 27.280 ( -11.648 -5.336 0.000) 12.812 27.515 ( -9.213 -2.740 0.000) 9.612 27.679 ( -17.792 -10.966 0.000) 20.900 28.154 ( -0.208 -2.275 0.000) 2.284 28.206 ( 3.264 9.649 0.000) 10.186 28.533 ( -3.986 -3.870 0.000) 5.556 28.626 ( -7.265 5.284 0.000) 8.984 28.903 ( 5.672 -0.217 0.000) 5.676 29.261 ( -5.118 -0.689 0.000) 5.164 29.365 ( 9.128 6.721 0.000) 11.336 29.582 ( 8.323 1.939 0.000) 8.546 29.689 ( 15.826 -3.442 0.000) 16.196 29.947 ( -5.780 -4.594 0.000) 7.383 30.052 ( -9.173 -5.357 0.000) 10.623 30.187 ( 4.113 -6.166 0.000) 7.412 30.556 ( -4.756 -1.168 0.000) 4.897 30.687 ( -9.198 2.232 0.000) 9.465 30.923 ( 9.284 -6.375 0.000) 11.262 31.150 ( 2.766 -0.934 0.000) 2.920 31.633 ( -9.904 4.367 0.000) 10.824 31.732 ( -8.883 3.718 0.000) 9.630 31.948 ( 1.776 -2.160 0.000) 2.797 32.080 ( 3.416 -1.990 0.000) 3.953 32.190 ( -5.910 6.114 0.000) 8.504 32.331 ( -5.887 -4.065 0.000) 7.154 32.601 ( 2.079 -6.368 0.000) 6.698 32.832 ( -9.596 -2.081 0.000) 9.820 33.014 ( 0.530 -2.427 0.000) 2.485 33.152 ( -2.771 -3.221 0.000) 4.249 33.603 ( 13.438 0.540 0.000) 13.449 33.738 ( 10.066 8.658 0.000) 13.277 33.915 ( -2.843 6.855 0.000) 7.421 34.343 ( -9.788 -5.711 0.000) 11.332 34.637 ( 7.415 -2.042 0.000) 7.691 34.775 ( -4.075 7.887 0.000) 8.878 34.932 ( -0.532 12.355 0.000) 12.367 35.315 ( -11.633 -0.201 0.000) 11.634 35.686 ( 5.111 -4.662 0.000) 6.918 35.789 ( 8.770 -3.076 0.000) 9.294 36.048 ( -4.987 -2.403 0.000) 5.536 36.104 ( -1.626 -4.291 0.000) 4.589 36.712 ( -0.845 -0.592 0.000) 1.032 36.809 ( -4.265 3.474 0.000) 5.501 36.990 ( 3.797 -2.447 0.000) 4.517 37.173 ( -4.098 -6.530 0.000) 7.710 37.833 ( 5.165 0.662 0.000) 5.207 37.967 ( -2.337 -0.379 0.000) 2.368 38.491 ( 4.871 1.273 0.000) 5.035 38.590 ( 0.160 -0.810 0.000) 0.826 39.070 ( 4.687 0.927 0.000) 4.777 39.147 ( 1.121 3.354 0.000) 3.536 ======================= Grid point 13 (9/45) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -20.530 4.016 0.000) 20.920 2.437 ( 20.530 4.016 0.000) 20.920 2.653 ( -18.580 7.169 0.000) 19.915 2.653 ( 18.580 7.169 0.000) 19.915 3.243 ( -5.521 -3.370 0.000) 6.468 3.243 ( 5.521 -3.370 0.000) 6.468 3.531 ( -8.471 -4.036 0.000) 9.383 3.531 ( 8.471 -4.036 0.000) 9.383 3.756 ( -12.495 2.038 0.000) 12.660 3.756 ( 12.495 2.038 0.000) 12.660 3.997 ( -5.454 -0.852 0.000) 5.520 3.997 ( 5.454 -0.852 0.000) 5.520 4.570 ( -6.929 1.003 0.000) 7.001 4.570 ( 6.929 1.003 0.000) 7.001 4.960 ( -4.904 11.150 0.000) 12.181 4.960 ( 4.904 11.150 0.000) 12.181 5.321 ( -3.043 -3.346 0.000) 4.523 5.321 ( 3.043 -3.346 0.000) 4.523 5.979 ( -13.406 5.811 0.000) 14.611 5.979 ( 13.406 5.811 0.000) 14.611 6.389 ( -12.689 3.708 0.000) 13.220 6.389 ( 12.689 3.708 0.000) 13.220 6.631 ( -18.428 2.946 0.000) 18.662 6.631 ( 18.428 2.946 0.000) 18.662 6.826 ( -20.583 -0.493 0.000) 20.588 6.826 ( 20.583 -0.493 0.000) 20.588 7.427 ( -3.177 -5.980 0.000) 6.772 7.427 ( 3.177 -5.980 0.000) 6.772 7.528 ( -6.474 -7.177 0.000) 9.666 7.528 ( 6.474 -7.177 0.000) 9.666 8.020 ( -5.064 3.444 0.000) 6.124 8.020 ( 5.064 3.444 0.000) 6.124 8.142 ( -4.076 2.067 0.000) 4.570 8.142 ( 4.076 2.067 0.000) 4.570 9.542 ( -15.661 -7.269 0.000) 17.266 9.542 ( 15.661 -7.269 0.000) 17.266 12.918 ( -11.976 0.471 0.000) 11.986 12.918 ( 11.976 0.471 0.000) 11.986 17.168 ( -11.758 -0.887 0.000) 11.792 17.168 ( 11.758 -0.887 0.000) 11.792 18.160 ( -7.465 -4.312 0.000) 8.621 18.160 ( 7.465 -4.312 0.000) 8.621 18.471 ( -6.860 -4.100 0.000) 7.992 18.471 ( 6.860 -4.100 0.000) 7.992 19.465 ( -15.007 11.508 0.000) 18.911 19.465 ( 15.007 11.508 0.000) 18.911 19.678 ( -23.929 -0.780 0.000) 23.942 19.678 ( 23.929 -0.780 0.000) 23.942 20.076 ( -22.750 1.051 0.000) 22.774 20.076 ( 22.750 1.051 0.000) 22.774 22.280 ( -3.687 -5.164 0.000) 6.345 22.280 ( 3.687 -5.164 0.000) 6.345 22.647 ( -14.154 -9.496 0.000) 17.045 22.647 ( 14.154 -9.496 0.000) 17.045 23.205 ( -15.721 8.033 0.000) 17.655 23.205 ( 15.721 8.033 0.000) 17.655 23.748 ( -5.761 7.141 0.000) 9.175 23.748 ( 5.761 7.141 0.000) 9.175 24.250 ( -3.214 -0.823 0.000) 3.317 24.250 ( 3.214 -0.823 0.000) 3.317 24.373 ( -4.477 9.722 0.000) 10.704 24.373 ( 4.477 9.722 0.000) 10.704 25.198 ( -1.121 -15.310 0.000) 15.351 25.198 ( 1.121 -15.310 0.000) 15.351 26.071 ( -15.471 12.429 0.000) 19.845 26.071 ( 15.471 12.429 0.000) 19.845 26.417 ( -8.668 -0.475 0.000) 8.681 26.417 ( 8.668 -0.475 0.000) 8.681 27.109 ( -10.296 1.187 0.000) 10.364 27.109 ( 10.296 1.187 0.000) 10.364 27.400 ( -4.108 -10.259 0.000) 11.051 27.400 ( 4.108 -10.259 0.000) 11.051 28.208 ( -3.670 3.870 0.000) 5.333 28.208 ( 3.670 3.870 0.000) 5.333 28.504 ( -3.758 1.952 0.000) 4.235 28.504 ( 3.758 1.952 0.000) 4.235 29.079 ( -10.138 0.139 0.000) 10.139 29.079 ( 10.138 0.139 0.000) 10.139 29.610 ( -8.769 -4.109 0.000) 9.684 29.610 ( 8.769 -4.109 0.000) 9.684 29.861 ( -0.589 -5.227 0.000) 5.260 29.861 ( 0.589 -5.227 0.000) 5.260 30.065 ( -13.795 2.535 0.000) 14.026 30.065 ( 13.795 2.535 0.000) 14.026 30.555 ( -4.069 -3.886 0.000) 5.627 30.555 ( 4.069 -3.886 0.000) 5.627 31.110 ( -7.390 -3.651 0.000) 8.243 31.110 ( 7.390 -3.651 0.000) 8.243 31.581 ( -4.585 7.607 0.000) 8.882 31.581 ( 4.585 7.607 0.000) 8.882 32.010 ( -4.787 -0.443 0.000) 4.808 32.010 ( 4.787 -0.443 0.000) 4.808 32.225 ( -4.735 1.172 0.000) 4.878 32.225 ( 4.735 1.172 0.000) 4.878 32.672 ( -5.666 -6.803 0.000) 8.854 32.672 ( 5.666 -6.803 0.000) 8.854 33.072 ( -4.333 -3.656 0.000) 5.669 33.072 ( 4.333 -3.656 0.000) 5.669 33.794 ( -7.599 9.381 0.000) 12.073 33.794 ( 7.599 9.381 0.000) 12.073 34.059 ( -17.493 -1.545 0.000) 17.561 34.059 ( 17.493 -1.545 0.000) 17.561 34.734 ( -1.752 5.402 0.000) 5.679 34.734 ( 1.752 5.402 0.000) 5.679 35.049 ( -12.051 3.400 0.000) 12.522 35.049 ( 12.051 3.400 0.000) 12.522 35.823 ( -5.810 -3.226 0.000) 6.645 35.823 ( 5.810 -3.226 0.000) 6.645 36.037 ( -4.175 -4.370 0.000) 6.044 36.037 ( 4.175 -4.370 0.000) 6.044 36.735 ( -2.842 1.180 0.000) 3.077 36.735 ( 2.842 1.180 0.000) 3.077 37.079 ( -4.937 -4.015 0.000) 6.364 37.079 ( 4.937 -4.015 0.000) 6.364 37.915 ( -3.154 -0.353 0.000) 3.174 37.915 ( 3.154 -0.353 0.000) 3.174 38.567 ( -2.550 -0.064 0.000) 2.551 38.567 ( 2.550 -0.064 0.000) 2.551 39.139 ( -2.013 1.930 0.000) 2.789 39.139 ( 2.013 1.930 0.000) 2.789 ======================= Grid point 20 (10/45) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 19.164 19.164 0.000) 27.103 2.031 ( 22.385 22.385 0.000) 31.658 2.855 ( 21.056 21.056 0.000) 29.778 2.924 ( 0.525 0.525 0.000) 0.742 2.943 ( 4.425 4.425 0.000) 6.258 3.272 ( -5.028 -5.028 0.000) 7.110 3.333 ( -2.803 -2.803 0.000) 3.965 3.546 ( 2.041 2.041 0.000) 2.887 3.598 ( -2.233 -2.233 0.000) 3.158 3.972 ( -7.139 -7.139 0.000) 10.096 4.003 ( -4.173 -4.173 0.000) 5.901 4.168 ( -5.381 -5.381 0.000) 7.611 4.441 ( 3.957 3.957 0.000) 5.596 4.757 ( 5.585 5.585 0.000) 7.899 5.042 ( 0.271 0.271 0.000) 0.383 5.049 ( -3.968 -3.968 0.000) 5.612 5.268 ( 8.597 8.597 0.000) 12.158 5.436 ( 10.174 10.174 0.000) 14.388 5.565 ( 11.833 11.833 0.000) 16.735 5.749 ( 9.084 9.084 0.000) 12.847 5.993 ( 12.807 12.807 0.000) 18.112 6.188 ( -2.444 -2.444 0.000) 3.456 6.616 ( 1.403 1.403 0.000) 1.984 6.915 ( -2.463 -2.463 0.000) 3.483 7.050 ( -3.156 -3.156 0.000) 4.464 7.247 ( -4.818 -4.818 0.000) 6.813 7.310 ( -5.099 -5.099 0.000) 7.212 7.349 ( -2.732 -2.732 0.000) 3.864 7.558 ( -7.006 -7.006 0.000) 9.909 7.701 ( -7.332 -7.332 0.000) 10.369 7.786 ( 0.450 0.450 0.000) 0.637 8.135 ( 2.680 2.680 0.000) 3.790 8.194 ( -3.268 -3.268 0.000) 4.622 8.690 ( -3.051 -3.051 0.000) 4.315 8.826 ( 0.593 0.593 0.000) 0.839 9.930 ( -12.183 -12.183 0.000) 17.229 12.583 ( 7.133 7.133 0.000) 10.087 13.249 ( -6.073 -6.073 0.000) 8.588 16.724 ( 7.821 7.821 0.000) 11.061 17.370 ( 1.235 1.235 0.000) 1.747 18.025 ( -0.439 -0.439 0.000) 0.621 18.171 ( 6.164 6.164 0.000) 8.717 18.325 ( -10.590 -10.590 0.000) 14.976 18.676 ( -5.424 -5.424 0.000) 7.671 18.816 ( 13.597 13.597 0.000) 19.229 19.245 ( 11.868 11.868 0.000) 16.784 19.598 ( 11.153 11.153 0.000) 15.772 19.757 ( 3.407 3.407 0.000) 4.818 20.564 ( -14.145 -14.145 0.000) 20.005 20.616 ( -12.531 -12.531 0.000) 17.722 21.847 ( 2.885 2.885 0.000) 4.079 22.246 ( -0.804 -0.804 0.000) 1.138 22.261 ( -1.714 -1.714 0.000) 2.425 22.811 ( 10.385 10.385 0.000) 14.687 22.874 ( -5.029 -5.029 0.000) 7.113 23.701 ( 5.234 5.234 0.000) 7.402 23.726 ( -0.200 -0.200 0.000) 0.283 23.839 ( 11.770 11.770 0.000) 16.645 24.280 ( 7.555 7.555 0.000) 10.685 24.315 ( -1.756 -1.756 0.000) 2.483 24.405 ( -6.838 -6.838 0.000) 9.671 24.670 ( 4.204 4.204 0.000) 5.945 24.854 ( 3.204 3.204 0.000) 4.531 25.225 ( -3.843 -3.843 0.000) 5.435 25.537 ( -7.891 -7.891 0.000) 11.160 26.118 ( 8.101 8.101 0.000) 11.456 26.430 ( 10.989 10.989 0.000) 15.541 26.691 ( -7.969 -7.969 0.000) 11.270 26.830 ( -0.085 -0.085 0.000) 0.120 27.336 ( -13.043 -13.043 0.000) 18.446 27.578 ( -11.439 -11.439 0.000) 16.177 27.835 ( -2.221 -2.221 0.000) 3.141 28.088 ( -5.806 -5.806 0.000) 8.211 28.295 ( 3.811 3.811 0.000) 5.389 28.481 ( 2.700 2.700 0.000) 3.819 28.907 ( 0.966 0.966 0.000) 1.367 28.970 ( -7.328 -7.328 0.000) 10.364 29.152 ( -3.413 -3.413 0.000) 4.827 29.194 ( 2.438 2.438 0.000) 3.448 29.493 ( 12.250 12.250 0.000) 17.324 29.647 ( -1.879 -1.879 0.000) 2.657 29.969 ( -6.304 -6.304 0.000) 8.915 29.998 ( 9.024 9.024 0.000) 12.762 30.112 ( -6.074 -6.074 0.000) 8.590 30.583 ( -4.184 -4.184 0.000) 5.917 30.666 ( -1.105 -1.105 0.000) 1.562 30.995 ( 2.203 2.203 0.000) 3.116 31.010 ( -3.914 -3.914 0.000) 5.535 31.811 ( -7.514 -7.514 0.000) 10.626 31.877 ( -4.049 -4.049 0.000) 5.726 31.886 ( -2.518 -2.518 0.000) 3.561 31.977 ( 5.011 5.011 0.000) 7.087 32.281 ( -1.990 -1.990 0.000) 2.814 32.380 ( -3.830 -3.830 0.000) 5.416 32.494 ( -5.853 -5.853 0.000) 8.278 32.991 ( -7.956 -7.956 0.000) 11.251 33.051 ( -3.927 -3.927 0.000) 5.554 33.191 ( 14.925 14.925 0.000) 21.108 33.321 ( -2.648 -2.648 0.000) 3.745 33.859 ( 7.420 7.420 0.000) 10.494 33.918 ( 6.954 6.954 0.000) 9.834 34.377 ( -5.985 -5.985 0.000) 8.464 34.479 ( 2.033 2.033 0.000) 2.875 34.968 ( 3.184 3.184 0.000) 4.503 35.206 ( 0.675 0.675 0.000) 0.955 35.417 ( 3.842 3.842 0.000) 5.434 35.472 ( 2.717 2.717 0.000) 3.842 35.680 ( -6.827 -6.827 0.000) 9.655 36.007 ( -3.202 -3.202 0.000) 4.528 36.113 ( -4.102 -4.102 0.000) 5.801 36.727 ( -2.720 -2.720 0.000) 3.847 36.914 ( -0.037 -0.037 0.000) 0.053 37.006 ( -0.149 -0.149 0.000) 0.211 37.015 ( -5.362 -5.362 0.000) 7.583 37.787 ( 3.499 3.499 0.000) 4.948 37.997 ( -1.252 -1.252 0.000) 1.771 38.451 ( 3.613 3.613 0.000) 5.110 38.568 ( 0.369 0.369 0.000) 0.521 39.020 ( 4.139 4.139 0.000) 5.853 39.176 ( 2.987 2.987 0.000) 4.224 ======================= Grid point 21 (11/45) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 20.238 12.153 0.000) 23.607 2.475 ( 21.170 16.476 0.000) 26.826 2.833 ( -9.101 4.089 0.000) 9.977 2.995 ( -1.533 -1.273 0.000) 1.993 3.122 ( 1.305 4.463 0.000) 4.650 3.180 ( -1.511 -4.949 0.000) 5.175 3.388 ( 8.714 5.555 0.000) 10.334 3.563 ( -2.492 -3.151 0.000) 4.017 3.611 ( 5.359 2.894 0.000) 6.091 3.849 ( -3.573 -7.658 0.000) 8.450 3.916 ( -4.215 -3.881 0.000) 5.730 4.052 ( -6.198 -5.686 0.000) 8.412 4.520 ( 4.373 4.385 0.000) 6.193 4.764 ( -5.409 2.919 0.000) 6.146 4.966 ( 0.814 -1.333 0.000) 1.562 5.067 ( -0.579 -5.608 0.000) 5.638 5.416 ( 5.575 19.717 0.000) 20.490 5.537 ( 0.347 19.195 0.000) 19.198 5.889 ( 15.211 9.096 0.000) 17.723 6.030 ( 20.424 4.873 0.000) 20.998 6.162 ( -0.344 -0.099 0.000) 0.358 6.337 ( 19.425 -0.152 0.000) 19.426 6.618 ( 0.499 8.643 0.000) 8.658 6.785 ( -8.856 5.986 0.000) 10.690 7.024 ( -2.959 -5.696 0.000) 6.419 7.056 ( -16.129 -1.173 0.000) 16.172 7.210 ( -1.812 -5.858 0.000) 6.131 7.315 ( -0.287 -8.869 0.000) 8.874 7.418 ( -5.447 -5.003 0.000) 7.396 7.536 ( -9.315 -7.164 0.000) 11.751 7.848 ( 4.795 -6.068 0.000) 7.733 8.093 ( -6.114 -5.670 0.000) 8.339 8.199 ( 3.253 6.609 0.000) 7.366 8.465 ( -11.727 11.184 0.000) 16.205 9.041 ( 14.302 -11.600 0.000) 18.415 9.654 ( -15.116 -12.297 0.000) 19.486 12.746 ( 8.982 4.089 0.000) 9.869 13.106 ( -8.203 -2.896 0.000) 8.699 16.922 ( 11.459 3.227 0.000) 11.905 17.326 ( -5.739 -1.264 0.000) 5.877 18.007 ( -0.164 -2.533 0.000) 2.538 18.140 ( -7.411 -10.029 0.000) 12.470 18.293 ( 5.767 -1.784 0.000) 6.037 18.553 ( -6.825 -3.184 0.000) 7.531 19.199 ( 23.423 14.249 0.000) 27.417 19.481 ( 10.979 4.840 0.000) 11.999 19.750 ( -1.059 7.398 0.000) 7.474 19.856 ( 11.708 9.440 0.000) 15.040 20.194 ( -22.323 -3.439 0.000) 22.586 20.371 ( -12.308 -7.770 0.000) 14.555 22.003 ( 10.917 -5.368 0.000) 12.166 22.227 ( -1.570 -4.272 0.000) 4.552 22.262 ( 2.821 -4.546 0.000) 5.350 22.701 ( -11.969 -10.866 0.000) 16.166 23.087 ( 16.770 13.465 0.000) 21.506 23.689 ( -6.650 11.476 0.000) 13.263 23.744 ( 2.828 1.475 0.000) 3.189 24.005 ( 0.026 10.239 0.000) 10.239 24.228 ( -3.572 -3.871 0.000) 5.267 24.289 ( -1.388 2.243 0.000) 2.638 24.453 ( 8.422 8.841 0.000) 12.210 24.718 ( 0.325 8.843 0.000) 8.849 24.896 ( -1.101 -4.633 0.000) 4.762 25.040 ( -11.212 -4.639 0.000) 12.134 25.698 ( 21.162 -14.321 0.000) 25.552 26.288 ( 8.311 12.888 0.000) 15.335 26.516 ( -3.827 -1.417 0.000) 4.081 26.620 ( -4.706 7.118 0.000) 8.533 26.815 ( 2.983 -7.429 0.000) 8.005 27.135 ( -6.476 -4.367 0.000) 7.811 27.292 ( -11.047 -13.729 0.000) 17.622 27.727 ( -12.313 10.932 0.000) 16.466 28.085 ( 6.262 -3.427 0.000) 7.138 28.372 ( 4.761 1.227 0.000) 4.916 28.469 ( -5.638 0.647 0.000) 5.675 28.671 ( -13.681 -1.753 0.000) 13.793 28.964 ( 5.332 6.331 0.000) 8.277 29.218 ( -0.925 -4.408 0.000) 4.504 29.269 ( 9.239 -18.043 0.000) 20.271 29.541 ( -5.115 1.216 0.000) 5.258 29.747 ( -2.563 -1.442 0.000) 2.941 29.866 ( 11.198 4.292 0.000) 11.992 29.914 ( -11.608 -4.711 0.000) 12.527 30.212 ( 8.863 3.534 0.000) 9.542 30.539 ( -1.192 0.934 0.000) 1.514 30.712 ( -5.253 -1.874 0.000) 5.577 30.829 ( 0.402 -0.483 0.000) 0.628 31.075 ( 0.633 -6.514 0.000) 6.545 31.650 ( -5.614 -5.975 0.000) 8.199 31.776 ( -6.115 1.354 0.000) 6.263 31.887 ( 1.720 -3.677 0.000) 4.059 32.036 ( -1.756 -3.052 0.000) 3.521 32.269 ( -0.904 1.087 0.000) 1.414 32.292 ( -1.329 3.349 0.000) 3.603 32.448 ( 2.561 -6.525 0.000) 7.010 32.810 ( -10.163 0.584 0.000) 10.179 33.010 ( 0.560 0.093 0.000) 0.568 33.176 ( -5.847 4.441 0.000) 7.342 33.582 ( 17.571 -0.081 0.000) 17.571 33.968 ( 5.710 12.259 0.000) 13.524 34.043 ( 1.251 6.199 0.000) 6.324 34.227 ( -8.661 -6.050 0.000) 10.565 34.599 ( 9.749 -1.555 0.000) 9.872 34.941 ( -4.172 6.788 0.000) 7.967 35.182 ( -2.067 9.861 0.000) 10.075 35.341 ( -8.809 5.112 0.000) 10.184 35.598 ( 3.121 -4.245 0.000) 5.269 35.693 ( 10.792 -5.479 0.000) 12.103 35.939 ( -4.905 -6.993 0.000) 8.541 36.020 ( -4.235 -4.899 0.000) 6.476 36.695 ( 0.178 -1.548 0.000) 1.558 36.855 ( -6.848 -0.011 0.000) 6.848 36.935 ( 1.906 -2.287 0.000) 2.978 37.027 ( -1.274 -6.717 0.000) 6.837 37.859 ( 3.518 1.904 0.000) 4.000 37.965 ( -1.942 0.057 0.000) 1.943 38.519 ( 3.025 1.323 0.000) 3.302 38.576 ( 0.135 -0.526 0.000) 0.543 39.111 ( 4.530 2.946 0.000) 5.403 39.210 ( 0.255 2.608 0.000) 2.620 ======================= Grid point 22 (12/45) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -17.327 6.841 0.000) 18.629 2.548 ( 17.327 6.841 0.000) 18.629 2.840 ( -13.392 10.693 0.000) 17.137 2.840 ( 13.392 10.693 0.000) 17.137 3.147 ( -1.665 -5.214 0.000) 5.473 3.147 ( 1.665 -5.214 0.000) 5.473 3.499 ( -3.236 0.270 0.000) 3.247 3.499 ( 3.236 0.270 0.000) 3.247 3.761 ( -7.196 -1.511 0.000) 7.353 3.761 ( 7.196 -1.511 0.000) 7.353 3.926 ( -5.564 -5.644 0.000) 7.925 3.926 ( 5.564 -5.644 0.000) 7.925 4.628 ( -6.602 3.738 0.000) 7.587 4.628 ( 6.602 3.738 0.000) 7.587 5.023 ( -3.363 -4.859 0.000) 5.909 5.023 ( 3.363 -4.859 0.000) 5.909 5.502 ( -3.245 21.453 0.000) 21.697 5.502 ( 3.245 21.453 0.000) 21.697 6.096 ( -6.169 5.873 0.000) 8.517 6.096 ( 6.169 5.873 0.000) 8.517 6.460 ( -13.709 2.506 0.000) 13.936 6.460 ( 13.709 2.506 0.000) 13.936 6.705 ( -6.440 2.954 0.000) 7.086 6.705 ( 6.440 2.954 0.000) 7.086 6.831 ( -13.617 1.834 0.000) 13.740 6.831 ( 13.617 1.834 0.000) 13.740 7.279 ( -5.827 -7.413 0.000) 9.429 7.279 ( 5.827 -7.413 0.000) 9.429 7.380 ( -3.870 -7.982 0.000) 8.871 7.380 ( 3.870 -7.982 0.000) 8.871 7.961 ( -6.445 -6.607 0.000) 9.230 7.961 ( 6.445 -6.607 0.000) 9.230 8.289 ( -6.196 9.745 0.000) 11.548 8.289 ( 6.196 9.745 0.000) 11.548 9.344 ( -15.734 -12.130 0.000) 19.867 9.344 ( 15.734 -12.130 0.000) 19.867 12.930 ( -9.271 0.629 0.000) 9.293 12.930 ( 9.271 0.629 0.000) 9.293 17.153 ( -10.997 -0.355 0.000) 11.003 17.153 ( 10.997 -0.355 0.000) 11.003 18.035 ( -3.183 -7.305 0.000) 7.968 18.035 ( 3.183 -7.305 0.000) 7.968 18.416 ( -6.665 -1.588 0.000) 6.851 18.416 ( 6.665 -1.588 0.000) 6.851 19.638 ( -8.024 -0.440 0.000) 8.036 19.638 ( 8.024 -0.440 0.000) 8.036 19.726 ( -19.132 10.685 0.000) 21.914 19.726 ( 19.132 10.685 0.000) 21.914 20.116 ( -13.289 2.932 0.000) 13.609 20.116 ( 13.289 2.932 0.000) 13.609 22.169 ( -4.668 -5.029 0.000) 6.862 22.169 ( 4.668 -5.029 0.000) 6.862 22.430 ( -13.532 -11.131 0.000) 17.521 22.430 ( 13.532 -11.131 0.000) 17.521 23.437 ( -16.885 14.515 0.000) 22.266 23.437 ( 16.885 14.515 0.000) 22.266 23.867 ( -8.728 3.160 0.000) 9.282 23.867 ( 8.728 3.160 0.000) 9.282 24.255 ( -2.430 2.299 0.000) 3.345 24.255 ( 2.430 2.299 0.000) 3.345 24.624 ( -8.407 14.376 0.000) 16.654 24.624 ( 8.407 14.376 0.000) 16.654 24.904 ( -3.505 -13.068 0.000) 13.530 24.904 ( 3.505 -13.068 0.000) 13.530 26.172 ( -22.422 -5.554 0.000) 23.099 26.172 ( 22.422 -5.554 0.000) 23.099 26.499 ( -4.877 8.836 0.000) 10.093 26.499 ( 4.877 8.836 0.000) 10.093 26.937 ( -9.755 -12.790 0.000) 16.085 26.937 ( 9.755 -12.790 0.000) 16.085 27.409 ( -16.555 8.875 0.000) 18.784 27.409 ( 16.555 8.875 0.000) 18.784 28.273 ( -11.369 2.458 0.000) 11.632 28.273 ( 11.369 2.458 0.000) 11.632 28.486 ( -6.582 -4.640 0.000) 8.054 28.486 ( 6.582 -4.640 0.000) 8.054 29.109 ( -8.090 0.894 0.000) 8.139 29.109 ( 8.090 0.894 0.000) 8.139 29.468 ( -6.780 -8.834 0.000) 11.136 29.468 ( 6.780 -8.834 0.000) 11.136 29.681 ( -5.671 -8.724 0.000) 10.405 29.681 ( 5.671 -8.724 0.000) 10.405 30.210 ( -12.937 10.721 0.000) 16.801 30.210 ( 12.937 10.721 0.000) 16.801 30.532 ( -3.158 -0.075 0.000) 3.159 30.532 ( 3.158 -0.075 0.000) 3.159 30.995 ( -8.459 -7.220 0.000) 11.122 30.995 ( 8.459 -7.220 0.000) 11.122 31.646 ( -4.970 -2.411 0.000) 5.524 31.646 ( 4.970 -2.411 0.000) 5.524 31.952 ( -4.466 -4.489 0.000) 6.332 31.952 ( 4.466 -4.489 0.000) 6.332 32.274 ( -0.935 1.922 0.000) 2.138 32.274 ( 0.935 1.922 0.000) 2.138 32.596 ( -10.559 2.661 0.000) 10.889 32.596 ( 10.559 2.661 0.000) 10.889 33.068 ( -4.697 1.775 0.000) 5.021 33.068 ( 4.697 1.775 0.000) 5.021 33.902 ( -13.737 0.505 0.000) 13.746 33.902 ( 13.737 0.505 0.000) 13.746 34.086 ( -5.786 5.601 0.000) 8.053 34.086 ( 5.786 5.601 0.000) 8.053 34.814 ( -9.681 1.145 0.000) 9.749 34.814 ( 9.681 1.145 0.000) 9.749 35.181 ( -3.969 9.831 0.000) 10.602 35.181 ( 3.969 9.831 0.000) 10.602 35.733 ( -7.177 -5.162 0.000) 8.840 35.733 ( 7.177 -5.162 0.000) 8.840 35.929 ( -5.233 -6.165 0.000) 8.087 35.929 ( 5.233 -6.165 0.000) 8.087 36.741 ( -4.319 -1.211 0.000) 4.485 36.741 ( 4.319 -1.211 0.000) 4.485 36.983 ( -2.667 -4.654 0.000) 5.364 36.983 ( 2.667 -4.654 0.000) 5.364 37.920 ( -2.631 0.860 0.000) 2.768 37.920 ( 2.631 0.860 0.000) 2.768 38.564 ( -1.422 -0.230 0.000) 1.440 38.564 ( 1.422 -0.230 0.000) 1.440 39.185 ( -2.663 2.489 0.000) 3.645 39.185 ( 2.663 2.489 0.000) 3.645 ======================= Grid point 30 (13/45) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 13.716 13.716 0.000) 19.397 2.806 ( 15.017 15.017 0.000) 21.237 2.891 ( -3.843 -3.843 0.000) 5.435 2.913 ( -0.579 -0.579 0.000) 0.818 3.071 ( -3.516 -3.516 0.000) 4.972 3.244 ( 3.930 3.930 0.000) 5.558 3.484 ( 3.014 3.014 0.000) 4.263 3.519 ( -1.033 -1.033 0.000) 1.462 3.657 ( -3.145 -3.145 0.000) 4.448 3.735 ( 2.355 2.355 0.000) 3.331 3.810 ( -6.584 -6.584 0.000) 9.311 3.939 ( -5.074 -5.074 0.000) 7.176 4.602 ( 3.980 3.980 0.000) 5.629 4.782 ( -2.084 -2.084 0.000) 2.947 4.900 ( -2.622 -2.622 0.000) 3.708 4.970 ( -3.426 -3.426 0.000) 4.845 5.835 ( 16.395 16.395 0.000) 23.186 5.893 ( 11.543 11.543 0.000) 16.324 6.099 ( 13.292 13.292 0.000) 18.798 6.179 ( 11.418 11.418 0.000) 16.147 6.185 ( 2.488 2.488 0.000) 3.518 6.355 ( 4.084 4.084 0.000) 5.776 6.739 ( 0.118 0.118 0.000) 0.166 6.858 ( 1.025 1.025 0.000) 1.449 6.919 ( -3.963 -3.963 0.000) 5.605 6.991 ( -6.854 -6.854 0.000) 9.693 7.117 ( -7.981 -7.981 0.000) 11.287 7.151 ( 0.568 0.568 0.000) 0.803 7.266 ( -8.496 -8.496 0.000) 12.015 7.436 ( -4.465 -4.465 0.000) 6.314 7.754 ( -1.835 -1.835 0.000) 2.595 7.955 ( -7.840 -7.840 0.000) 11.087 8.332 ( 7.010 7.010 0.000) 9.914 8.622 ( -0.528 -0.528 0.000) 0.747 8.885 ( 1.823 1.823 0.000) 2.578 9.381 ( -14.671 -14.671 0.000) 20.748 12.839 ( 5.070 5.070 0.000) 7.171 13.034 ( -4.228 -4.228 0.000) 5.980 17.021 ( 6.370 6.370 0.000) 9.008 17.269 ( -4.413 -4.413 0.000) 6.241 17.940 ( -3.428 -3.428 0.000) 4.848 17.972 ( -6.104 -6.104 0.000) 8.632 18.312 ( 3.103 3.103 0.000) 4.389 18.481 ( -4.106 -4.106 0.000) 5.806 19.449 ( 9.777 9.777 0.000) 13.826 19.638 ( 11.514 11.514 0.000) 16.283 19.756 ( -5.354 -5.354 0.000) 7.572 20.041 ( 7.095 7.095 0.000) 10.034 20.182 ( -1.457 -1.457 0.000) 2.060 20.190 ( -6.900 -6.900 0.000) 9.757 21.990 ( 3.869 3.869 0.000) 5.471 22.161 ( -2.529 -2.529 0.000) 3.577 22.197 ( -1.467 -1.467 0.000) 2.075 22.456 ( -12.867 -12.867 0.000) 18.196 23.410 ( 17.900 17.900 0.000) 25.314 23.768 ( 2.657 2.657 0.000) 3.758 23.845 ( 1.952 1.952 0.000) 2.761 24.043 ( -8.273 -8.273 0.000) 11.699 24.242 ( 6.891 6.891 0.000) 9.745 24.320 ( 0.441 0.441 0.000) 0.624 24.583 ( 4.145 4.145 0.000) 5.862 24.756 ( 5.257 5.257 0.000) 7.434 24.822 ( -6.209 -6.209 0.000) 8.782 25.314 ( 7.209 7.209 0.000) 10.194 25.329 ( -2.569 -2.569 0.000) 3.634 26.418 ( -18.424 -18.424 0.000) 26.056 26.493 ( -0.422 -0.422 0.000) 0.597 26.637 ( 11.153 11.153 0.000) 15.773 26.649 ( -4.821 -4.821 0.000) 6.818 27.109 ( -3.185 -3.185 0.000) 4.504 27.263 ( 12.328 12.328 0.000) 17.434 27.943 ( -1.888 -1.888 0.000) 2.670 27.983 ( 1.901 1.901 0.000) 2.689 28.297 ( -5.375 -5.375 0.000) 7.602 28.432 ( -3.002 -3.002 0.000) 4.246 28.668 ( -3.019 -3.019 0.000) 4.270 28.952 ( -6.260 -6.260 0.000) 8.852 29.054 ( -0.741 -0.741 0.000) 1.048 29.151 ( -0.756 -0.756 0.000) 1.069 29.480 ( -5.263 -5.263 0.000) 7.444 29.631 ( -5.844 -5.844 0.000) 8.265 29.945 ( 0.445 0.445 0.000) 0.630 29.998 ( 7.210 7.210 0.000) 10.196 30.322 ( 11.755 11.755 0.000) 16.624 30.520 ( -4.907 -4.907 0.000) 6.939 30.728 ( 2.576 2.576 0.000) 3.642 30.815 ( -3.537 -3.537 0.000) 5.002 30.943 ( -3.766 -3.766 0.000) 5.327 31.473 ( -7.483 -7.483 0.000) 10.583 31.693 ( -10.435 -10.435 0.000) 14.758 31.877 ( 2.340 2.340 0.000) 3.309 31.980 ( -0.848 -0.848 0.000) 1.199 32.262 ( -1.573 -1.573 0.000) 2.224 32.294 ( -2.145 -2.145 0.000) 3.034 32.529 ( 11.226 11.226 0.000) 15.875 32.820 ( -1.134 -1.134 0.000) 1.604 33.027 ( 2.282 2.282 0.000) 3.228 33.193 ( -3.240 -3.240 0.000) 4.582 33.672 ( 8.774 8.774 0.000) 12.408 34.082 ( -8.187 -8.187 0.000) 11.577 34.162 ( 5.346 5.346 0.000) 7.560 34.185 ( 7.371 7.371 0.000) 10.424 34.605 ( 3.685 3.685 0.000) 5.211 34.955 ( -5.597 -5.597 0.000) 7.915 35.318 ( 5.201 5.201 0.000) 7.355 35.445 ( -0.577 -0.577 0.000) 0.816 35.567 ( 1.651 1.651 0.000) 2.335 35.640 ( 4.000 4.000 0.000) 5.657 35.813 ( -5.872 -5.872 0.000) 8.304 35.906 ( -5.814 -5.814 0.000) 8.223 36.662 ( -0.868 -0.868 0.000) 1.227 36.785 ( -5.738 -5.738 0.000) 8.114 36.913 ( -0.139 -0.139 0.000) 0.196 36.948 ( -1.872 -1.872 0.000) 2.648 37.902 ( 2.254 2.254 0.000) 3.188 37.962 ( -0.555 -0.555 0.000) 0.784 38.542 ( 1.057 1.057 0.000) 1.495 38.569 ( -0.272 -0.272 0.000) 0.385 39.176 ( 3.245 3.245 0.000) 4.589 39.242 ( 0.497 0.497 0.000) 0.703 ======================= Grid point 31 (14/45) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( -12.176 7.154 0.000) 14.123 2.692 ( 12.176 7.154 0.000) 14.123 2.947 ( -1.556 -3.002 0.000) 3.382 2.947 ( 1.556 -3.002 0.000) 3.382 3.164 ( -10.580 9.568 0.000) 14.264 3.164 ( 10.580 9.568 0.000) 14.264 3.516 ( -0.657 0.987 0.000) 1.186 3.516 ( 0.657 0.987 0.000) 1.186 3.665 ( -5.632 -8.434 0.000) 10.142 3.665 ( 5.632 -8.434 0.000) 10.142 3.842 ( -5.131 -1.737 0.000) 5.417 3.842 ( 5.131 -1.737 0.000) 5.417 4.691 ( -5.165 2.481 0.000) 5.730 4.691 ( 5.165 2.481 0.000) 5.730 4.911 ( -2.453 -5.156 0.000) 5.710 4.911 ( 2.453 -5.156 0.000) 5.710 5.979 ( -0.983 22.661 0.000) 22.682 5.979 ( 0.983 22.661 0.000) 22.682 6.226 ( -1.126 8.330 0.000) 8.406 6.226 ( 1.126 8.330 0.000) 8.406 6.474 ( -10.153 -1.021 0.000) 10.204 6.474 ( 10.153 -1.021 0.000) 10.204 6.711 ( -10.604 -2.356 0.000) 10.863 6.711 ( 10.604 -2.356 0.000) 10.863 6.866 ( -2.259 -0.172 0.000) 2.265 6.866 ( 2.259 -0.172 0.000) 2.265 7.117 ( -4.889 -10.526 0.000) 11.606 7.117 ( 4.889 -10.526 0.000) 11.606 7.290 ( -9.118 2.007 0.000) 9.337 7.290 ( 9.118 2.007 0.000) 9.337 7.806 ( -6.203 -8.233 0.000) 10.308 7.806 ( 6.203 -8.233 0.000) 10.308 8.486 ( -8.471 9.653 0.000) 12.842 8.486 ( 8.471 9.653 0.000) 12.842 9.090 ( -14.017 -12.402 0.000) 18.716 9.090 ( 14.017 -12.402 0.000) 18.716 12.941 ( -5.049 0.422 0.000) 5.067 12.941 ( 5.050 0.422 0.000) 5.067 17.156 ( -6.683 0.501 0.000) 6.702 17.156 ( 6.683 0.501 0.000) 6.702 17.906 ( -0.620 -5.018 0.000) 5.056 17.906 ( 0.621 -5.018 0.000) 5.056 18.393 ( -4.563 -0.860 0.000) 4.643 18.393 ( 4.563 -0.860 0.000) 4.643 19.613 ( -7.647 -1.149 0.000) 7.733 19.613 ( 7.647 -1.149 0.000) 7.733 19.908 ( -13.753 6.383 0.000) 15.162 19.908 ( 13.753 6.383 0.000) 15.162 20.181 ( -2.597 3.112 0.000) 4.053 20.181 ( 2.597 3.112 0.000) 4.053 22.102 ( -4.679 -1.480 0.000) 4.907 22.102 ( 4.679 -1.480 0.000) 4.907 22.237 ( -7.116 -7.792 0.000) 10.552 22.237 ( 7.116 -7.792 0.000) 10.552 23.730 ( -12.347 13.061 0.000) 17.973 23.730 ( 12.347 13.061 0.000) 17.973 23.875 ( -7.730 -1.098 0.000) 7.808 23.875 ( 7.730 -1.098 0.000) 7.808 24.316 ( -1.045 2.178 0.000) 2.416 24.316 ( 1.045 2.178 0.000) 2.416 24.697 ( -6.656 -5.850 0.000) 8.861 24.697 ( 6.656 -5.850 0.000) 8.861 24.950 ( -14.474 17.487 0.000) 22.700 24.950 ( 14.474 17.487 0.000) 22.700 25.883 ( -29.401 -21.697 0.000) 36.540 25.883 ( 29.401 -21.697 0.000) 36.540 26.544 ( -4.339 -3.231 0.000) 5.410 26.544 ( 4.339 -3.231 0.000) 5.410 26.938 ( -13.541 10.734 0.000) 17.280 26.938 ( 13.541 10.734 0.000) 17.280 27.614 ( -19.999 10.878 0.000) 22.766 27.614 ( 19.999 10.878 0.000) 22.766 28.167 ( -8.043 -13.400 0.000) 15.628 28.167 ( 8.043 -13.400 0.000) 15.628 28.497 ( -8.754 7.228 0.000) 11.352 28.497 ( 8.754 7.228 0.000) 11.352 28.975 ( -4.639 -12.104 0.000) 12.963 28.975 ( 4.639 -12.104 0.000) 12.963 29.274 ( -11.568 -9.573 0.000) 15.015 29.274 ( 11.568 -9.573 0.000) 15.015 29.736 ( -11.715 12.325 0.000) 17.004 29.736 ( 11.715 12.325 0.000) 17.004 30.299 ( -14.876 -6.404 0.000) 16.196 30.299 ( 14.876 -6.404 0.000) 16.196 30.595 ( -11.727 9.236 0.000) 14.928 30.595 ( 11.727 9.236 0.000) 14.928 30.869 ( -5.320 -4.650 0.000) 7.066 30.869 ( 5.320 -4.650 0.000) 7.066 31.478 ( -8.022 -11.666 0.000) 14.158 31.478 ( 8.022 -11.666 0.000) 14.158 31.944 ( -3.327 3.268 0.000) 4.663 31.944 ( 3.327 3.268 0.000) 4.663 32.259 ( -1.414 -2.534 0.000) 2.902 32.259 ( 1.414 -2.534 0.000) 2.902 32.730 ( -7.833 7.310 0.000) 10.715 32.730 ( 7.833 7.310 0.000) 10.715 33.103 ( -4.801 1.362 0.000) 4.991 33.103 ( 4.801 1.362 0.000) 4.991 33.880 ( -11.209 -1.416 0.000) 11.298 33.880 ( 11.209 -1.416 0.000) 11.298 34.238 ( -1.501 8.510 0.000) 8.641 34.238 ( 1.501 8.510 0.000) 8.641 34.770 ( -11.138 -5.044 0.000) 12.227 34.770 ( 11.138 -5.044 0.000) 12.227 35.391 ( -3.362 9.873 0.000) 10.430 35.391 ( 3.362 9.873 0.000) 10.430 35.653 ( -6.495 -2.523 0.000) 6.968 35.653 ( 6.495 -2.523 0.000) 6.968 35.798 ( -5.549 -6.520 0.000) 8.562 35.798 ( 5.549 -6.520 0.000) 8.562 36.686 ( -3.407 -3.462 0.000) 4.858 36.686 ( 3.407 -3.462 0.000) 4.858 36.922 ( -0.911 -1.567 0.000) 1.812 36.922 ( 0.911 -1.567 0.000) 1.812 37.941 ( -1.522 0.958 0.000) 1.799 37.941 ( 1.522 0.958 0.000) 1.799 38.560 ( -0.677 -0.133 0.000) 0.690 38.560 ( 0.677 -0.133 0.000) 0.690 39.228 ( -1.815 1.648 0.000) 2.452 39.228 ( 1.815 1.648 0.000) 2.452 ======================= Grid point 44 (15/45) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 0.000 0.000 0.000) 0.000 2.800 ( 0.000 0.000 0.000) 0.000 2.870 ( -0.000 -0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.514 ( 0.000 0.000 0.000) 0.000 3.514 ( 0.000 0.000 0.000) 0.000 3.530 ( -0.000 -0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 4.721 ( -0.000 -0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.436 ( -0.000 -0.000 0.000) 0.000 6.436 ( 0.000 0.000 0.000) 0.000 6.487 ( -0.000 -0.000 0.000) 0.000 6.487 ( 0.000 0.000 0.000) 0.000 6.574 ( -0.000 -0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.860 ( -0.000 -0.000 0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 6.971 ( 0.000 0.000 0.000) 0.000 6.971 ( 0.000 0.000 0.000) 0.000 7.355 ( 0.000 0.000 0.000) 0.000 7.355 ( 0.000 0.000 0.000) 0.000 7.697 ( 0.000 0.000 0.000) 0.000 7.697 ( 0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 0.000) 0.000 8.928 ( -0.000 -0.000 0.000) 0.000 8.928 ( 0.000 0.000 0.000) 0.000 12.945 ( 0.000 0.000 0.000) 0.000 12.945 ( 0.000 0.000 0.000) 0.000 17.163 ( 0.000 0.000 0.000) 0.000 17.163 ( 0.000 0.000 0.000) 0.000 17.853 ( 0.000 0.000 0.000) 0.000 17.853 ( 0.000 0.000 0.000) 0.000 18.383 ( 0.000 0.000 0.000) 0.000 18.383 ( 0.000 0.000 0.000) 0.000 19.601 ( 0.000 0.000 0.000) 0.000 19.601 ( 0.000 0.000 0.000) 0.000 19.971 ( 0.000 0.000 0.000) 0.000 19.971 ( 0.000 0.000 0.000) 0.000 20.217 ( 0.000 0.000 0.000) 0.000 20.217 ( 0.000 0.000 0.000) 0.000 22.103 ( -0.000 -0.000 0.000) 0.000 22.103 ( 0.000 0.000 0.000) 0.000 22.143 ( -0.000 -0.000 0.000) 0.000 22.143 ( 0.000 0.000 0.000) 0.000 23.860 ( 0.000 0.000 0.000) 0.000 23.860 ( 0.000 0.000 0.000) 0.000 23.876 ( -0.000 -0.000 0.000) 0.000 23.876 ( 0.000 0.000 0.000) 0.000 24.328 ( 0.000 0.000 0.000) 0.000 24.328 ( 0.000 0.000 0.000) 0.000 24.647 ( 0.000 0.000 0.000) 0.000 24.647 ( 0.000 0.000 0.000) 0.000 25.278 ( -0.000 -0.000 0.000) 0.000 25.278 ( 0.000 0.000 0.000) 0.000 25.492 ( 0.000 0.000 0.000) 0.000 25.492 ( 0.000 0.000 0.000) 0.000 26.509 ( 0.000 0.000 0.000) 0.000 26.509 ( 0.000 0.000 0.000) 0.000 27.085 ( 0.000 0.000 0.000) 0.000 27.085 ( 0.000 0.000 0.000) 0.000 27.817 ( -0.000 -0.000 0.000) 0.000 27.817 ( 0.000 0.000 0.000) 0.000 27.911 ( 0.000 0.000 0.000) 0.000 27.911 ( 0.000 0.000 0.000) 0.000 28.638 ( 0.000 0.000 0.000) 0.000 28.638 ( 0.000 0.000 0.000) 0.000 28.787 ( -0.000 -0.000 0.000) 0.000 28.787 ( 0.000 0.000 0.000) 0.000 29.164 ( 0.000 0.000 0.000) 0.000 29.164 ( 0.000 0.000 0.000) 0.000 29.978 ( -0.000 -0.000 0.000) 0.000 29.978 ( 0.000 0.000 0.000) 0.000 30.106 ( 0.000 0.000 0.000) 0.000 30.106 ( 0.000 0.000 0.000) 0.000 30.767 ( -0.000 -0.000 0.000) 0.000 30.767 ( 0.000 0.000 0.000) 0.000 30.789 ( -0.000 -0.000 0.000) 0.000 30.789 ( 0.000 0.000 0.000) 0.000 31.328 ( 0.000 0.000 0.000) 0.000 31.328 ( 0.000 0.000 0.000) 0.000 31.997 ( 0.000 0.000 0.000) 0.000 31.997 ( 0.000 0.000 0.000) 0.000 32.220 ( -0.000 -0.000 0.000) 0.000 32.220 ( 0.000 0.000 0.000) 0.000 32.808 ( 0.000 0.000 0.000) 0.000 32.808 ( 0.000 0.000 0.000) 0.000 33.118 ( 0.000 0.000 0.000) 0.000 33.118 ( 0.000 0.000 0.000) 0.000 33.865 ( 0.000 0.000 0.000) 0.000 33.865 ( 0.000 0.000 0.000) 0.000 34.354 ( 0.000 0.000 0.000) 0.000 34.354 ( 0.000 0.000 0.000) 0.000 34.686 ( 0.000 0.000 0.000) 0.000 34.686 ( 0.000 0.000 0.000) 0.000 35.530 ( 0.000 0.000 0.000) 0.000 35.530 ( 0.000 0.000 0.000) 0.000 35.602 ( -0.000 -0.000 0.000) 0.000 35.602 ( 0.000 0.000 0.000) 0.000 35.723 ( 0.000 0.000 0.000) 0.000 35.723 ( 0.000 0.000 0.000) 0.000 36.645 ( 0.000 0.000 0.000) 0.000 36.645 ( 0.000 0.000 0.000) 0.000 36.908 ( 0.000 0.000 0.000) 0.000 36.908 ( 0.000 0.000 0.000) 0.000 37.951 ( 0.000 0.000 0.000) 0.000 37.951 ( 0.000 0.000 0.000) 0.000 38.559 ( 0.000 0.000 0.000) 0.000 38.559 ( 0.000 0.000 0.000) 0.000 39.245 ( 0.000 0.000 0.000) 0.000 39.245 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 81 (16/45) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 0.000 0.000 34.439) 34.439 0.779 ( 0.000 0.000 33.535) 33.535 1.242 ( -0.000 0.000 56.038) 56.038 2.492 ( -0.000 -0.000 -16.436) 16.436 2.524 ( 0.000 0.000 -19.724) 19.724 3.486 ( -0.000 0.000 -11.602) 11.602 3.596 ( 0.000 0.000 10.566) 10.566 3.605 ( 0.000 0.000 10.150) 10.150 3.716 ( -0.000 0.000 3.060) 3.060 4.188 ( -0.000 0.000 -6.490) 6.490 4.245 ( -0.000 0.000 6.157) 6.157 4.322 ( -0.000 0.000 -0.189) 0.189 4.437 ( 0.000 0.000 -4.702) 4.702 4.471 ( -0.000 -0.000 6.589) 6.589 4.781 ( 0.000 0.000 -4.866) 4.866 4.877 ( 0.000 0.000 1.371) 1.371 5.143 ( -0.000 -0.000 1.033) 1.033 5.257 ( -0.000 0.000 0.715) 0.715 5.272 ( -0.000 0.000 -1.297) 1.297 5.340 ( -0.000 -0.000 0.504) 0.504 5.386 ( 0.000 0.000 0.524) 0.524 6.228 ( 0.000 0.000 -24.312) 24.312 6.551 ( 0.000 0.000 -4.615) 4.615 6.699 ( 0.000 0.000 -11.917) 11.917 7.436 ( 0.000 0.000 12.592) 12.592 7.449 ( 0.000 0.000 6.868) 6.868 7.461 ( 0.000 0.000 4.283) 4.283 7.600 ( -0.000 0.000 7.533) 7.533 7.727 ( 0.000 0.000 4.591) 4.591 7.944 ( 0.000 0.000 -4.845) 4.845 7.967 ( -0.000 -0.000 1.068) 1.068 8.053 ( 0.000 0.000 -0.681) 0.681 8.235 ( 0.000 0.000 -3.825) 3.825 8.562 ( 0.000 0.000 -13.122) 13.122 9.306 ( -0.000 -0.000 21.064) 21.064 10.361 ( -0.000 0.000 -7.967) 7.967 12.494 ( 0.000 0.000 26.046) 26.046 15.365 ( 0.000 0.000 -48.987) 48.987 15.596 ( 0.000 0.000 19.563) 19.563 16.980 ( 0.000 0.000 15.835) 15.835 17.380 ( 0.000 0.000 18.097) 18.097 17.992 ( 0.000 0.000 5.344) 5.344 18.231 ( -0.000 0.000 -26.462) 26.462 18.540 ( 0.000 0.000 8.651) 8.651 18.683 ( 0.000 0.000 -14.253) 14.253 19.350 ( 0.000 0.000 17.318) 17.318 19.657 ( 0.000 0.000 33.361) 33.361 20.821 ( 0.000 0.000 -3.166) 3.166 21.004 ( -0.000 -0.000 -31.071) 31.071 21.171 ( 0.000 0.000 -11.469) 11.469 21.495 ( 0.000 0.000 6.177) 6.177 22.061 ( -0.000 -0.000 6.256) 6.256 22.170 ( 0.000 0.000 -1.064) 1.064 22.219 ( -0.000 -0.000 -9.325) 9.325 22.778 ( 0.000 0.000 13.298) 13.298 22.911 ( 0.000 -0.000 17.269) 17.269 23.116 ( 0.000 0.000 -8.066) 8.066 23.199 ( 0.000 0.000 -25.708) 25.708 24.063 ( -0.000 -0.000 -2.676) 2.676 24.440 ( 0.000 0.000 17.571) 17.571 24.595 ( -0.000 -0.000 -6.780) 6.780 24.687 ( 0.000 0.000 3.188) 3.188 24.891 ( -0.000 0.000 -24.352) 24.352 25.096 ( -0.000 0.000 -8.644) 8.644 25.438 ( 0.000 0.000 11.482) 11.482 26.300 ( -0.000 -0.000 18.070) 18.070 26.380 ( 0.000 0.000 8.631) 8.631 26.543 ( 0.000 0.000 13.475) 13.475 27.146 ( 0.000 0.000 -1.610) 1.610 27.457 ( 0.000 0.000 -18.186) 18.186 27.667 ( 0.000 0.000 15.919) 15.919 27.906 ( -0.000 0.000 -22.278) 22.278 28.131 ( 0.000 0.000 -24.693) 24.693 28.463 ( 0.000 0.000 -4.627) 4.627 28.608 ( 0.000 0.000 19.671) 19.671 28.780 ( -0.000 -0.000 15.229) 15.229 28.919 ( 0.000 0.000 -8.837) 8.837 29.240 ( 0.000 0.000 0.472) 0.472 29.358 ( 0.000 -0.000 -1.278) 1.278 29.409 ( 0.000 0.000 -1.370) 1.370 29.783 ( 0.000 0.000 -3.323) 3.323 30.014 ( 0.000 0.000 -3.148) 3.148 30.037 ( -0.000 -0.000 -4.573) 4.573 30.386 ( 0.000 0.000 -7.938) 7.938 30.562 ( -0.000 0.000 -3.626) 3.626 30.928 ( -0.000 0.000 19.957) 19.957 31.021 ( 0.000 0.000 -8.791) 8.791 31.294 ( -0.000 0.000 3.576) 3.576 31.310 ( 0.000 0.000 19.833) 19.833 32.048 ( 0.000 0.000 -20.703) 20.703 32.054 ( 0.000 0.000 -11.823) 11.823 32.280 ( 0.000 0.000 -5.089) 5.089 32.449 ( -0.000 0.000 5.192) 5.192 32.614 ( -0.000 0.000 13.041) 13.041 32.741 ( 0.000 0.000 -1.068) 1.068 32.966 ( -0.000 -0.000 -9.532) 9.532 32.969 ( 0.000 0.000 20.361) 20.361 33.134 ( 0.000 0.000 0.268) 0.268 33.347 ( 0.000 0.000 -8.979) 8.979 33.720 ( 0.000 0.000 7.807) 7.807 34.207 ( -0.000 0.000 -10.516) 10.516 34.308 ( -0.000 0.000 17.900) 17.900 34.416 ( 0.000 0.000 -5.191) 5.191 35.079 ( -0.000 0.000 -7.925) 7.925 35.469 ( -0.000 0.000 9.172) 9.172 35.482 ( -0.000 -0.000 5.680) 5.680 35.579 ( -0.000 0.000 7.967) 7.967 35.907 ( 0.000 -0.000 -2.827) 2.827 35.912 ( 0.000 0.000 -2.795) 2.795 36.466 ( 0.000 0.000 -17.048) 17.048 36.547 ( 0.000 0.000 0.633) 0.633 36.727 ( 0.000 0.000 -4.327) 4.327 37.006 ( 0.000 0.000 4.997) 4.997 37.188 ( 0.000 0.000 13.142) 13.142 37.333 ( 0.000 0.000 -3.430) 3.430 37.973 ( 0.000 0.000 -9.967) 9.967 38.540 ( 0.000 0.000 2.222) 2.222 38.679 ( 0.000 0.000 5.573) 5.573 38.758 ( -0.000 0.000 -3.343) 3.343 38.854 ( 0.000 0.000 0.820) 0.820 ======================= Grid point 82 (17/45) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 26.647 0.000 23.512) 35.537 1.157 ( 25.713 0.000 26.810) 37.147 1.558 ( 32.706 0.000 36.433) 48.959 2.550 ( 5.268 0.000 -15.000) 15.898 2.611 ( 8.410 0.000 -17.005) 18.971 3.434 ( -4.735 0.000 -8.151) 9.426 3.584 ( -2.358 0.000 7.682) 8.035 3.595 ( -1.007 0.000 8.483) 8.543 3.712 ( 0.548 0.000 2.903) 2.955 4.130 ( -4.518 0.000 -5.577) 7.178 4.255 ( -3.703 0.000 -0.298) 3.715 4.317 ( 0.003 0.000 5.322) 5.322 4.413 ( -0.071 0.000 -2.679) 2.680 4.438 ( -0.727 0.000 6.334) 6.376 4.832 ( 2.398 0.000 -3.018) 3.854 4.954 ( 6.532 0.000 0.457) 6.548 5.174 ( 5.253 0.000 -0.045) 5.253 5.256 ( -1.204 0.000 -3.596) 3.792 5.274 ( 1.348 0.000 1.095) 1.737 5.379 ( 1.348 0.000 2.939) 3.233 5.479 ( 12.077 0.000 -0.464) 12.086 6.233 ( 0.579 0.000 -19.076) 19.085 6.493 ( -3.248 0.000 -3.427) 4.722 6.824 ( 9.254 0.000 -12.973) 15.936 7.293 ( -9.457 0.000 10.789) 14.347 7.382 ( -5.912 0.000 4.609) 7.496 7.511 ( -0.306 0.000 5.231) 5.240 7.586 ( -1.160 0.000 5.506) 5.626 7.749 ( -0.103 0.000 5.287) 5.288 7.918 ( -3.194 0.000 1.095) 3.376 7.930 ( -1.169 0.000 -3.035) 3.252 8.029 ( -2.470 0.000 -2.462) 3.488 8.233 ( 0.041 0.000 -2.735) 2.735 8.521 ( -4.569 0.000 -12.919) 13.703 9.287 ( -1.241 0.000 20.389) 20.427 10.298 ( -6.178 0.000 -7.596) 9.791 12.558 ( 6.282 0.000 26.403) 27.140 14.503 ( -40.733 0.000 44.203) 60.109 15.791 ( 8.513 0.000 -36.064) 37.056 17.222 ( 7.713 0.000 -4.004) 8.690 17.532 ( 14.862 0.000 14.164) 20.530 18.023 ( 3.781 0.000 4.062) 5.549 18.211 ( -0.555 0.000 -19.734) 19.742 18.624 ( 5.042 0.000 -4.417) 6.703 18.745 ( 7.969 0.000 -1.803) 8.171 19.349 ( -0.648 0.000 15.581) 15.594 19.556 ( -10.330 0.000 31.864) 33.496 20.136 ( -19.082 0.000 24.856) 31.336 21.005 ( -5.530 0.000 -24.921) 25.527 21.089 ( -7.600 0.000 -9.766) 12.375 21.707 ( 1.333 0.000 6.778) 6.908 21.932 ( 5.196 0.000 -3.932) 6.516 22.379 ( 13.549 0.000 -7.379) 15.428 22.739 ( -5.073 0.000 9.719) 10.963 22.841 ( 13.658 0.000 -7.422) 15.544 22.933 ( 5.464 0.000 -2.941) 6.205 23.240 ( 9.718 0.000 -3.239) 10.244 23.522 ( 28.192 0.000 -29.582) 40.864 24.048 ( -0.495 0.000 -2.699) 2.744 24.468 ( -0.672 0.000 16.061) 16.075 24.570 ( -10.376 0.000 -9.760) 14.245 24.611 ( -3.911 0.000 0.931) 4.020 24.762 ( 4.004 0.000 -7.534) 8.532 25.338 ( 5.609 0.000 11.227) 12.551 25.477 ( 11.190 0.000 -23.368) 25.909 26.185 ( -8.633 0.000 14.283) 16.689 26.302 ( -1.592 0.000 19.941) 20.005 26.770 ( 7.076 0.000 5.260) 8.817 27.070 ( -5.464 0.000 -6.188) 8.255 27.443 ( -0.073 0.000 -16.157) 16.157 27.650 ( -2.503 0.000 8.237) 8.608 27.886 ( -0.283 0.000 -18.930) 18.932 28.139 ( -0.713 0.000 -21.444) 21.456 28.401 ( -6.052 0.000 -8.113) 10.122 28.649 ( 1.989 0.000 13.803) 13.946 28.752 ( -1.230 0.000 12.741) 12.800 28.998 ( 5.025 0.000 -0.675) 5.071 29.204 ( -4.080 0.000 -0.383) 4.098 29.298 ( -3.301 0.000 6.274) 7.089 29.374 ( -3.653 0.000 -0.795) 3.739 29.653 ( -5.587 0.000 6.987) 8.946 29.955 ( -4.180 0.000 0.238) 4.187 30.022 ( 0.198 0.000 -2.189) 2.198 30.316 ( -4.944 0.000 -9.924) 11.087 30.562 ( 0.955 0.000 -7.722) 7.781 31.001 ( 3.822 0.000 12.786) 13.345 31.056 ( -3.929 0.000 0.605) 3.976 31.238 ( 2.741 0.000 7.420) 7.910 31.478 ( 9.445 0.000 3.903) 10.220 31.959 ( -6.253 0.000 -10.673) 12.370 31.998 ( -5.757 0.000 -8.429) 10.207 32.276 ( -2.887 0.000 -3.509) 4.544 32.395 ( -3.086 0.000 3.458) 4.635 32.510 ( -9.700 0.000 11.112) 14.750 32.701 ( -5.238 0.000 -0.238) 5.243 32.774 ( 0.936 0.000 10.607) 10.648 32.984 ( 1.728 0.000 -5.777) 6.030 33.331 ( 2.684 0.000 -2.399) 3.600 33.449 ( 9.542 0.000 -8.005) 12.455 33.626 ( -8.290 0.000 8.502) 11.875 34.056 ( -10.110 0.000 4.124) 10.919 34.325 ( 3.458 0.000 -3.440) 4.878 34.533 ( 4.909 0.000 0.422) 4.927 34.926 ( -10.439 0.000 -0.343) 10.444 35.239 ( -10.650 0.000 15.390) 18.716 35.479 ( -0.784 0.000 5.807) 5.860 35.573 ( 2.871 0.000 6.846) 7.423 35.878 ( -3.874 0.000 -1.671) 4.219 35.986 ( 5.043 0.000 -3.822) 6.328 36.294 ( -8.880 0.000 -2.652) 9.268 36.570 ( -0.233 0.000 -11.664) 11.666 36.766 ( -1.125 0.000 -8.098) 8.176 37.143 ( 0.774 0.000 7.733) 7.772 37.236 ( 7.855 0.000 -2.314) 8.188 37.458 ( 10.216 0.000 -0.968) 10.261 37.965 ( -0.768 0.000 -8.796) 8.829 38.506 ( -6.170 0.000 10.536) 12.210 38.562 ( 1.248 0.000 2.819) 3.083 38.841 ( 4.959 0.000 -1.772) 5.266 38.930 ( 4.605 0.000 -1.567) 4.864 ======================= Grid point 83 (18/45) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 29.099 0.000 17.070) 33.736 1.633 ( 23.976 0.000 21.351) 32.105 2.344 ( 40.265 0.000 11.846) 41.972 2.670 ( 5.596 0.000 -10.651) 12.032 2.822 ( 11.826 0.000 -10.736) 15.972 3.291 ( -9.825 0.000 -3.930) 10.582 3.508 ( -4.258 0.000 6.330) 7.628 3.569 ( -1.190 0.000 4.469) 4.624 3.746 ( 2.116 0.000 0.150) 2.122 4.001 ( -8.416 0.000 -4.190) 9.402 4.145 ( -6.460 0.000 -0.599) 6.487 4.244 ( -5.922 0.000 -0.921) 5.994 4.409 ( 0.439 0.000 3.029) 3.060 4.526 ( 6.439 0.000 3.100) 7.146 4.860 ( 0.575 0.000 -2.270) 2.342 4.945 ( -7.564 0.000 -2.917) 8.107 5.272 ( 3.337 0.000 -1.258) 3.566 5.346 ( 6.786 0.000 -2.057) 7.091 5.381 ( 9.562 0.000 3.717) 10.260 5.518 ( 16.256 0.000 5.046) 17.021 5.802 ( 20.478 0.000 -2.099) 20.585 6.255 ( 1.522 0.000 -9.797) 9.915 6.441 ( -2.157 0.000 0.929) 2.349 6.960 ( -2.295 0.000 -1.590) 2.792 7.115 ( -2.610 0.000 -0.253) 2.622 7.263 ( -4.955 0.000 0.633) 4.996 7.408 ( -10.509 0.000 1.981) 10.694 7.548 ( -3.258 0.000 2.620) 4.181 7.664 ( -6.457 0.000 4.090) 7.644 7.863 ( -3.093 0.000 -1.999) 3.682 7.951 ( -0.849 0.000 -2.718) 2.848 7.959 ( -0.520 0.000 0.332) 0.617 8.233 ( -0.432 0.000 -1.355) 1.422 8.364 ( -10.855 0.000 -8.899) 14.037 9.298 ( 3.136 0.000 15.796) 16.104 10.126 ( -10.736 0.000 -6.242) 12.418 12.733 ( 10.924 0.000 27.348) 29.449 13.934 ( -20.718 0.000 41.631) 46.502 15.999 ( 12.713 0.000 -40.855) 42.787 17.213 ( -7.567 0.000 -20.969) 22.293 17.856 ( 14.886 0.000 8.866) 17.326 18.180 ( 10.906 0.000 1.631) 11.027 18.302 ( 13.532 0.000 -1.439) 13.608 18.640 ( -2.417 0.000 -11.979) 12.221 19.020 ( 14.022 0.000 9.171) 16.755 19.320 ( -1.695 0.000 9.708) 9.855 19.345 ( -6.244 0.000 26.239) 26.972 19.956 ( -4.832 0.000 21.691) 22.222 20.764 ( -17.839 0.000 -8.513) 19.766 20.916 ( -10.713 0.000 -6.741) 12.657 21.741 ( 4.281 0.000 -12.984) 13.671 22.150 ( 14.823 0.000 3.163) 15.157 22.522 ( -5.547 0.000 -7.577) 9.390 22.742 ( 11.685 0.000 11.417) 16.337 22.983 ( 3.355 0.000 9.329) 9.914 23.053 ( 7.348 0.000 -16.749) 18.290 23.428 ( 8.019 0.000 0.181) 8.021 23.935 ( 13.809 0.000 -13.184) 19.092 24.061 ( 1.079 0.000 -2.128) 2.386 24.283 ( -13.938 0.000 3.374) 14.340 24.448 ( -4.659 0.000 -1.737) 4.972 24.476 ( -5.173 0.000 2.334) 5.675 24.982 ( 13.378 0.000 -1.190) 13.431 25.435 ( 5.989 0.000 8.903) 10.730 25.685 ( 5.553 0.000 -14.926) 15.926 26.057 ( -2.305 0.000 8.496) 8.803 26.294 ( 1.112 0.000 14.068) 14.112 26.701 ( -9.221 0.000 11.670) 14.873 26.964 ( -6.532 0.000 -11.026) 12.816 27.476 ( 2.181 0.000 -13.821) 13.992 27.531 ( -9.307 0.000 -0.321) 9.312 27.943 ( 5.374 0.000 -8.723) 10.245 28.031 ( -11.502 0.000 -10.126) 15.324 28.273 ( -4.426 0.000 -13.823) 14.514 28.626 ( -4.923 0.000 6.788) 8.385 28.723 ( -2.627 0.000 8.896) 9.276 29.036 ( -2.693 0.000 6.024) 6.599 29.086 ( -3.642 0.000 1.706) 4.022 29.311 ( 2.126 0.000 3.230) 3.867 29.375 ( 7.918 0.000 4.032) 8.885 29.660 ( 4.410 0.000 7.873) 9.025 29.976 ( 5.989 0.000 -7.180) 9.350 30.020 ( -0.059 0.000 -0.955) 0.957 30.179 ( -8.047 0.000 -7.689) 11.130 30.636 ( 5.781 0.000 -7.183) 9.221 30.885 ( -9.436 0.000 3.542) 10.079 31.050 ( -0.183 0.000 10.505) 10.507 31.246 ( -5.042 0.000 11.374) 12.442 31.584 ( -0.015 0.000 -12.085) 12.085 31.841 ( -5.681 0.000 -6.607) 8.713 31.937 ( 1.864 0.000 -1.669) 2.502 32.108 ( -11.299 0.000 3.229) 11.751 32.309 ( -9.474 0.000 4.348) 10.424 32.417 ( 3.866 0.000 -7.328) 8.286 32.612 ( -6.199 0.000 2.790) 6.797 32.763 ( -2.392 0.000 -5.275) 5.792 33.109 ( 8.072 0.000 2.258) 8.382 33.318 ( -2.557 0.000 1.262) 2.851 33.458 ( -2.333 0.000 2.257) 3.247 33.628 ( 5.516 0.000 3.342) 6.449 33.901 ( -4.961 0.000 2.744) 5.669 34.404 ( 3.110 0.000 -7.227) 7.868 34.572 ( 0.709 0.000 1.364) 1.538 34.746 ( -8.104 0.000 -3.325) 8.760 35.087 ( -6.592 0.000 15.942) 17.251 35.484 ( 1.504 0.000 5.102) 5.319 35.680 ( 4.385 0.000 2.545) 5.070 35.773 ( -3.373 0.000 1.013) 3.522 36.040 ( -0.298 0.000 -5.987) 5.995 36.173 ( -2.831 0.000 0.383) 2.856 36.548 ( -1.346 0.000 -13.881) 13.946 36.724 ( -2.628 0.000 -7.540) 7.985 37.135 ( -0.236 0.000 9.592) 9.595 37.311 ( -0.113 0.000 -1.829) 1.832 37.663 ( 9.471 0.000 -0.402) 9.480 37.948 ( -0.832 0.000 -6.193) 6.249 38.468 ( 1.568 0.000 7.726) 7.884 38.597 ( 1.764 0.000 1.714) 2.460 38.954 ( 5.870 0.000 -1.306) 6.014 39.017 ( 4.130 0.000 -1.572) 4.419 ======================= Grid point 84 (19/45) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 22.304 0.000 16.097) 27.506 2.176 ( 26.046 0.000 8.396) 27.365 2.708 ( -3.606 0.000 -2.155) 4.201 2.900 ( -1.223 0.000 -0.467) 1.309 3.067 ( 12.730 0.000 -2.916) 13.060 3.187 ( 15.107 0.000 1.850) 15.220 3.416 ( -5.376 0.000 3.453) 6.390 3.568 ( 1.544 0.000 -0.031) 1.544 3.758 ( -3.069 0.000 -4.158) 5.168 3.832 ( -6.891 0.000 -2.325) 7.273 4.007 ( -6.478 0.000 0.033) 6.478 4.109 ( -7.200 0.000 -2.062) 7.489 4.448 ( 3.617 0.000 -0.598) 3.666 4.624 ( 1.358 0.000 0.051) 1.359 4.793 ( -4.550 0.000 -1.755) 4.877 4.853 ( -1.376 0.000 -1.789) 2.257 5.329 ( 2.876 0.000 -0.265) 2.888 5.404 ( 0.372 0.000 -1.388) 1.437 5.645 ( 15.341 0.000 6.969) 16.849 5.951 ( 22.146 0.000 1.542) 22.200 6.210 ( 6.742 0.000 -1.006) 6.816 6.308 ( 14.883 0.000 -1.610) 14.970 6.433 ( 3.224 0.000 5.560) 6.427 6.746 ( -11.499 0.000 11.827) 16.496 7.070 ( -13.978 0.000 -2.384) 14.180 7.109 ( -13.393 0.000 1.025) 13.432 7.290 ( 6.996 0.000 -8.968) 11.374 7.461 ( -4.627 0.000 -3.499) 5.801 7.555 ( -4.118 0.000 -0.286) 4.128 7.750 ( -9.563 0.000 -5.342) 10.954 7.881 ( -0.953 0.000 -2.169) 2.370 7.997 ( -1.894 0.000 -2.597) 3.214 8.158 ( -3.975 0.000 0.917) 4.079 8.226 ( -2.021 0.000 1.106) 2.303 9.420 ( 8.909 0.000 8.073) 12.022 9.887 ( -12.786 0.000 -3.425) 13.237 12.980 ( 13.636 0.000 28.836) 31.898 13.577 ( -16.278 0.000 34.962) 38.566 16.291 ( 16.252 0.000 -42.128) 45.154 16.969 ( -15.618 0.000 -35.313) 38.613 18.106 ( 11.239 0.000 6.479) 12.973 18.393 ( 10.301 0.000 7.152) 12.540 18.533 ( -4.972 0.000 -3.724) 6.212 18.769 ( 25.393 0.000 -1.410) 25.432 18.975 ( -10.877 0.000 19.196) 22.063 19.300 ( -0.477 0.000 0.363) 0.599 19.574 ( 19.998 0.000 13.069) 23.890 19.891 ( 0.346 0.000 17.666) 17.670 20.344 ( -23.091 0.000 2.347) 23.210 20.621 ( -18.973 0.000 2.738) 19.170 21.882 ( 9.390 0.000 -19.295) 21.458 22.304 ( -8.623 0.000 -11.426) 14.315 22.528 ( 16.077 0.000 4.015) 16.571 22.959 ( 2.237 0.000 5.488) 5.927 23.035 ( 7.077 0.000 11.580) 13.571 23.193 ( 5.478 0.000 -10.302) 11.668 23.536 ( 3.554 0.000 2.827) 4.541 23.916 ( -14.475 0.000 4.976) 15.306 24.141 ( 7.540 0.000 -4.292) 8.676 24.174 ( 2.635 0.000 -3.788) 4.614 24.381 ( -3.395 0.000 1.306) 3.637 24.387 ( -3.027 0.000 3.119) 4.346 25.231 ( 10.468 0.000 -4.002) 11.207 25.477 ( -3.127 0.000 4.321) 5.334 25.739 ( 4.387 0.000 3.990) 5.929 26.154 ( 6.772 0.000 1.498) 6.936 26.255 ( -4.720 0.000 2.261) 5.234 26.580 ( -2.333 0.000 10.877) 11.125 26.870 ( 1.162 0.000 -7.330) 7.422 27.320 ( -10.932 0.000 1.399) 11.021 27.483 ( -1.828 0.000 -7.762) 7.975 27.722 ( -16.635 0.000 -8.490) 18.676 28.058 ( 6.102 0.000 -2.252) 6.504 28.263 ( 2.668 0.000 -1.262) 2.951 28.460 ( -9.757 0.000 -1.900) 9.940 28.618 ( -8.338 0.000 2.463) 8.694 28.985 ( 0.517 0.000 5.669) 5.692 29.087 ( 1.160 0.000 -5.701) 5.818 29.437 ( 7.816 0.000 0.715) 7.848 29.523 ( 5.321 0.000 -0.119) 5.323 29.794 ( 9.032 0.000 8.107) 12.137 30.007 ( 0.190 0.000 4.015) 4.020 30.033 ( -3.812 0.000 -6.686) 7.696 30.175 ( 8.474 0.000 -9.187) 12.498 30.610 ( -9.891 0.000 7.979) 12.709 30.794 ( -0.218 0.000 0.673) 0.707 31.024 ( -1.396 0.000 4.218) 4.443 31.105 ( -4.846 0.000 -4.580) 6.668 31.523 ( -5.068 0.000 -0.796) 5.130 31.731 ( -8.519 0.000 -1.029) 8.580 31.870 ( -1.247 0.000 -3.760) 3.961 32.062 ( 2.902 0.000 -4.188) 5.095 32.159 ( -5.228 0.000 2.466) 5.780 32.407 ( -12.212 0.000 0.489) 12.222 32.518 ( 5.680 0.000 -6.866) 8.911 32.732 ( -2.202 0.000 -6.158) 6.540 33.166 ( -0.327 0.000 1.783) 1.813 33.256 ( -1.627 0.000 3.283) 3.664 33.530 ( 3.951 0.000 -0.829) 4.037 33.758 ( 1.041 0.000 -2.285) 2.511 33.851 ( 7.778 0.000 10.306) 12.911 34.397 ( -5.598 0.000 -0.993) 5.686 34.602 ( 2.022 0.000 -1.160) 2.331 34.636 ( -2.253 0.000 -4.663) 5.179 34.992 ( -0.616 0.000 13.720) 13.733 35.367 ( -12.551 0.000 3.421) 13.009 35.776 ( 8.178 0.000 2.452) 8.538 35.839 ( 4.895 0.000 2.177) 5.357 36.007 ( -1.850 0.000 -4.747) 5.095 36.125 ( -3.559 0.000 -1.533) 3.875 36.541 ( 1.035 0.000 -12.996) 13.037 36.663 ( -3.506 0.000 -8.179) 8.899 37.147 ( 1.562 0.000 8.122) 8.271 37.268 ( -3.426 0.000 2.228) 4.087 37.818 ( 5.971 0.000 -0.854) 6.031 37.932 ( -0.879 0.000 -3.539) 3.647 38.529 ( 3.747 0.000 4.169) 5.605 38.618 ( 0.046 0.000 1.454) 1.455 39.055 ( 3.992 0.000 -1.209) 4.171 39.085 ( 2.391 0.000 -1.398) 2.769 ======================= Grid point 85 (20/45) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -17.218 0.000 7.603) 18.822 2.491 ( 17.218 0.000 7.603) 18.822 2.626 ( -18.874 0.000 4.349) 19.369 2.626 ( 18.874 0.000 4.349) 19.369 3.269 ( -8.688 0.000 -0.359) 8.695 3.269 ( 8.688 0.000 -0.359) 8.695 3.602 ( -11.655 0.000 -1.568) 11.760 3.602 ( 11.655 0.000 -1.568) 11.760 3.655 ( -0.726 0.000 -3.042) 3.128 3.655 ( 0.726 0.000 -3.042) 3.128 3.986 ( -4.161 0.000 -1.259) 4.347 3.986 ( 4.161 0.000 -1.259) 4.347 4.547 ( -5.956 0.000 -2.777) 6.572 4.547 ( 5.956 0.000 -2.777) 6.572 4.808 ( -2.957 0.000 -0.225) 2.966 4.808 ( 2.957 0.000 -0.225) 2.966 5.383 ( -2.199 0.000 -0.633) 2.289 5.383 ( 2.199 0.000 -0.633) 2.289 5.955 ( -14.319 0.000 4.388) 14.976 5.955 ( 14.319 0.000 4.388) 14.976 6.431 ( -11.317 0.000 6.148) 12.879 6.431 ( 11.317 0.000 6.148) 12.879 6.646 ( -19.841 0.000 4.226) 20.286 6.646 ( 19.841 0.000 4.226) 20.286 6.834 ( -18.067 0.000 0.928) 18.090 6.834 ( 18.067 0.000 0.928) 18.090 7.396 ( -2.599 0.000 -7.564) 7.998 7.396 ( 2.599 0.000 -7.564) 7.998 7.560 ( -6.533 0.000 -6.536) 9.241 7.560 ( 6.533 0.000 -6.536) 9.241 7.912 ( -3.737 0.000 -1.707) 4.108 7.912 ( 3.737 0.000 -1.707) 4.108 8.178 ( -2.772 0.000 2.826) 3.958 8.178 ( 2.772 0.000 2.826) 3.958 9.635 ( -12.177 0.000 1.308) 12.247 9.635 ( 12.177 0.000 1.308) 12.247 13.267 ( -15.048 0.000 31.128) 34.574 13.267 ( 15.048 0.000 31.128) 34.574 16.631 ( -17.589 0.000 -40.980) 44.595 16.631 ( 17.589 0.000 -40.980) 44.595 18.321 ( -10.258 0.000 2.367) 10.528 18.321 ( 10.258 0.000 2.367) 10.528 18.691 ( -13.989 0.000 12.968) 19.075 18.691 ( 13.989 0.000 12.968) 19.075 19.216 ( -12.071 0.000 -3.245) 12.499 19.216 ( 12.071 0.000 -3.245) 12.499 19.870 ( -14.438 0.000 11.311) 18.341 19.870 ( 14.438 0.000 11.311) 18.341 20.202 ( -20.223 0.000 10.334) 22.710 20.202 ( 20.223 0.000 10.334) 22.710 22.092 ( -11.163 0.000 -16.818) 20.186 22.092 ( 11.163 0.000 -16.818) 20.186 22.835 ( -12.022 0.000 4.739) 12.922 22.835 ( 12.022 0.000 4.739) 12.922 23.200 ( -5.477 0.000 2.540) 6.037 23.200 ( 5.477 0.000 2.540) 6.037 23.656 ( -10.083 0.000 2.352) 10.354 23.656 ( 10.083 0.000 2.352) 10.354 24.225 ( -0.711 0.000 -3.112) 3.193 24.225 ( 0.711 0.000 -3.112) 3.193 24.340 ( -1.612 0.000 4.753) 5.019 24.340 ( 1.612 0.000 4.753) 5.019 25.379 ( -5.493 0.000 -2.606) 6.080 25.379 ( 5.493 0.000 -2.606) 6.080 25.941 ( -14.527 0.000 6.068) 15.743 25.941 ( 14.527 0.000 6.068) 15.743 26.448 ( -11.102 0.000 1.285) 11.176 26.448 ( 11.102 0.000 1.285) 11.176 27.066 ( -14.606 0.000 -0.581) 14.618 27.066 ( 14.606 0.000 -0.581) 14.618 27.487 ( -5.406 0.000 -4.801) 7.230 27.487 ( 5.406 0.000 -4.801) 7.230 28.207 ( -8.588 0.000 3.687) 9.346 28.207 ( 8.588 0.000 3.687) 9.346 28.438 ( -7.936 0.000 -3.802) 8.799 28.438 ( 7.936 0.000 -3.802) 8.799 29.050 ( -4.307 0.000 -1.285) 4.495 29.050 ( 4.307 0.000 -1.285) 4.495 29.552 ( -2.558 0.000 -6.930) 7.387 29.552 ( 2.558 0.000 -6.930) 7.387 29.964 ( -4.689 0.000 1.448) 4.907 29.964 ( 4.689 0.000 1.448) 4.907 30.110 ( -11.562 0.000 7.702) 13.892 30.110 ( 11.562 0.000 7.702) 13.892 30.641 ( -11.917 0.000 1.211) 11.978 30.641 ( 11.917 0.000 1.211) 11.978 31.051 ( -3.205 0.000 -6.910) 7.617 31.051 ( 3.205 0.000 -6.910) 7.617 31.530 ( -7.493 0.000 4.357) 8.668 31.530 ( 7.493 0.000 4.357) 8.668 31.985 ( -8.370 0.000 -4.047) 9.297 31.985 ( 8.370 0.000 -4.047) 9.297 32.197 ( -7.476 0.000 -0.931) 7.533 32.197 ( 7.476 0.000 -0.931) 7.533 32.642 ( -6.213 0.000 -6.244) 8.808 32.642 ( 6.213 0.000 -6.244) 8.808 33.203 ( -3.593 0.000 2.625) 4.450 33.203 ( 3.593 0.000 2.625) 4.450 33.635 ( -7.137 0.000 -2.119) 7.445 33.635 ( 7.137 0.000 -2.119) 7.445 34.164 ( -16.131 0.000 7.202) 17.665 34.164 ( 16.131 0.000 7.202) 17.665 34.626 ( -0.300 0.000 -3.288) 3.301 34.626 ( 0.300 0.000 -3.288) 3.301 35.109 ( -11.295 0.000 6.892) 13.232 35.109 ( 11.295 0.000 6.892) 13.232 35.892 ( -1.592 0.000 3.255) 3.624 35.892 ( 1.592 0.000 3.255) 3.624 36.024 ( -5.121 0.000 -4.621) 6.897 36.024 ( 5.121 0.000 -4.621) 6.897 36.590 ( -3.527 0.000 -10.232) 10.823 36.590 ( 3.527 0.000 -10.232) 10.823 37.197 ( -3.324 0.000 5.476) 6.406 37.197 ( 3.324 0.000 5.476) 6.406 37.901 ( -2.586 0.000 -1.798) 3.150 37.901 ( 2.586 0.000 -1.798) 3.150 38.594 ( -2.416 0.000 2.188) 3.259 38.594 ( 2.416 0.000 2.188) 3.259 39.103 ( -0.703 0.000 -1.251) 1.435 39.103 ( 0.703 0.000 -1.251) 1.435 ======================= Grid point 91 (21/45) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 20.974 20.974 18.998) 35.224 1.354 ( 16.402 16.402 27.066) 35.645 1.863 ( 28.290 28.290 23.630) 46.465 2.590 ( 4.351 4.351 -14.574) 15.820 2.696 ( 7.401 7.401 -13.665) 17.213 3.396 ( -3.813 -3.813 -6.947) 8.795 3.566 ( -2.480 -2.480 6.259) 7.175 3.584 ( -1.056 -1.056 7.086) 7.242 3.694 ( -0.832 -0.832 3.512) 3.704 4.104 ( -2.856 -2.856 -6.192) 7.393 4.203 ( -4.615 -4.615 0.416) 6.540 4.314 ( -3.052 -3.052 -0.703) 4.374 4.406 ( 1.116 1.116 6.853) 7.032 4.486 ( 5.411 5.411 2.818) 8.155 4.915 ( 4.385 4.385 -2.650) 6.744 4.998 ( 5.322 5.322 0.282) 7.532 5.178 ( -0.934 -0.934 -0.577) 1.441 5.213 ( 3.322 3.322 -0.987) 4.800 5.314 ( -0.554 -0.554 -0.797) 1.117 5.444 ( 4.756 4.756 -0.688) 6.762 5.544 ( 9.132 9.132 2.042) 13.075 6.229 ( -0.019 -0.019 -13.837) 13.837 6.490 ( -0.373 -0.373 -4.650) 4.680 6.874 ( 3.763 3.763 -10.511) 11.782 7.218 ( -4.926 -4.926 4.966) 8.555 7.401 ( -2.404 -2.404 7.914) 8.614 7.476 ( -2.238 -2.238 4.727) 5.688 7.539 ( -3.092 -3.092 4.516) 6.286 7.774 ( 0.214 0.214 2.710) 2.727 7.841 ( -5.534 -5.534 1.422) 7.954 7.904 ( -2.031 -2.031 -0.965) 3.031 8.044 ( 0.322 0.322 -3.122) 3.155 8.226 ( -0.496 -0.496 -2.465) 2.563 8.499 ( -2.751 -2.751 -13.451) 14.002 9.255 ( -2.477 -2.477 20.282) 20.583 10.232 ( -6.377 -6.377 -7.316) 11.613 12.616 ( 5.718 5.718 26.777) 27.971 14.228 ( -20.044 -20.044 46.505) 54.463 15.847 ( 5.887 5.887 -39.125) 40.001 17.268 ( 0.875 0.875 -11.166) 11.234 17.669 ( 12.350 12.350 10.661) 20.463 18.052 ( 3.271 3.271 4.787) 6.657 18.230 ( 3.110 3.110 -13.327) 14.034 18.635 ( -1.075 -1.075 -11.060) 11.164 18.821 ( 9.271 9.271 7.628) 15.168 19.355 ( 0.474 0.474 11.768) 11.787 19.462 ( -8.039 -8.039 29.590) 31.699 20.041 ( -5.278 -5.278 23.168) 24.341 20.929 ( -6.727 -6.727 -17.976) 20.338 21.031 ( -6.288 -6.288 -9.069) 12.702 21.679 ( -1.610 -1.610 -1.680) 2.830 21.932 ( 2.998 2.998 2.566) 4.956 22.493 ( 10.119 10.119 -2.662) 14.555 22.751 ( -4.146 -4.146 -2.534) 6.387 22.794 ( 1.050 1.050 10.253) 10.360 23.121 ( 10.489 10.489 -11.597) 18.828 23.359 ( 9.649 9.649 -1.629) 13.743 23.682 ( 13.332 13.332 -23.913) 30.452 24.055 ( 1.291 1.291 -2.278) 2.919 24.459 ( -7.125 -7.125 -11.956) 15.636 24.520 ( -1.082 -1.082 15.764) 15.838 24.656 ( -1.100 -1.100 1.987) 2.524 24.714 ( 4.352 4.352 -5.435) 8.212 25.314 ( -1.967 -1.967 13.342) 13.629 25.600 ( 9.922 9.922 -24.691) 28.400 26.139 ( -4.189 -4.189 14.590) 15.747 26.291 ( -0.732 -0.732 17.970) 17.999 26.838 ( 2.967 2.967 2.773) 5.030 26.986 ( -6.883 -6.883 -3.416) 10.316 27.442 ( 0.123 0.123 -15.822) 15.823 27.652 ( -1.016 -1.016 2.598) 2.969 27.892 ( 1.338 1.338 -18.817) 18.912 28.108 ( -4.092 -4.092 -12.747) 13.999 28.343 ( -5.425 -5.425 -9.388) 12.125 28.597 ( -2.248 -2.248 8.024) 8.630 28.768 ( 1.349 1.349 12.984) 13.123 29.048 ( 1.078 1.078 2.000) 2.514 29.203 ( 0.566 0.566 -4.042) 4.121 29.297 ( -1.588 -1.588 3.895) 4.496 29.358 ( 0.182 0.182 2.861) 2.872 29.641 ( -0.840 -0.840 6.535) 6.642 29.904 ( -2.107 -2.107 4.669) 5.538 30.046 ( 1.776 1.776 -1.193) 2.781 30.238 ( -5.587 -5.587 -8.118) 11.328 30.565 ( 1.052 1.052 -7.064) 7.219 30.905 ( -8.244 -8.244 4.425) 12.470 31.034 ( -1.633 -1.633 8.560) 8.866 31.268 ( 2.352 2.352 5.927) 6.796 31.584 ( 6.758 6.758 -2.468) 9.871 31.893 ( -5.163 -5.163 -10.257) 12.590 32.017 ( -2.662 -2.662 -4.393) 5.785 32.202 ( -4.419 -4.419 -0.955) 6.322 32.312 ( -3.490 -3.490 5.852) 7.656 32.513 ( -4.107 -4.107 -4.475) 7.332 32.668 ( -2.376 -2.376 0.897) 3.478 32.781 ( 3.881 3.881 13.788) 14.840 33.056 ( 3.033 3.033 -7.194) 8.375 33.359 ( 0.923 0.923 -1.052) 1.677 33.500 ( -1.883 -1.883 -8.100) 8.526 33.524 ( -0.689 -0.689 10.858) 10.901 33.986 ( -5.710 -5.710 6.462) 10.342 34.322 ( 0.868 0.868 -5.577) 5.711 34.562 ( 1.083 1.083 1.509) 2.151 34.866 ( -3.197 -3.197 0.944) 4.619 35.269 ( 0.273 0.273 10.231) 10.238 35.451 ( -2.466 -2.466 6.610) 7.474 35.500 ( -1.117 -1.117 5.606) 5.824 35.868 ( -4.001 -4.001 -3.361) 6.581 36.000 ( 2.400 2.400 -2.364) 4.136 36.257 ( -3.391 -3.391 -0.940) 4.886 36.571 ( -0.997 -0.997 -13.688) 13.760 36.803 ( 1.105 1.105 -9.714) 9.839 37.158 ( -1.525 -1.525 8.479) 8.749 37.197 ( 1.894 1.894 3.238) 4.202 37.551 ( 6.486 6.486 -3.609) 9.857 37.955 ( -0.872 -0.872 -8.204) 8.296 38.483 ( -1.283 -1.283 10.710) 10.863 38.566 ( 0.967 0.967 2.275) 2.654 38.860 ( 3.012 3.012 -1.130) 4.406 38.990 ( 4.241 4.241 -2.418) 6.467 ======================= Grid point 92 (22/45) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 20.916 9.803 22.750) 32.421 1.765 ( 26.334 13.851 11.761) 31.994 2.517 ( 33.326 15.849 8.931) 37.968 2.703 ( 5.808 3.470 -10.555) 12.537 2.868 ( 9.369 4.101 -7.813) 12.871 3.276 ( -8.260 -1.661 -4.452) 9.529 3.485 ( -4.688 -2.314 6.367) 8.238 3.559 ( -1.104 -0.654 3.788) 4.000 3.697 ( 0.391 -3.634 1.532) 3.963 4.009 ( -6.298 -1.018 -4.715) 7.933 4.096 ( -5.706 -3.977 0.161) 6.957 4.224 ( -5.503 -2.648 -2.416) 6.567 4.422 ( 0.950 2.095 4.437) 4.998 4.629 ( 7.049 8.916 3.450) 11.878 4.931 ( -3.451 4.801 -2.643) 6.476 5.014 ( -2.755 6.305 -3.025) 7.516 5.228 ( 4.232 0.059 2.239) 4.788 5.316 ( 4.790 -2.078 -1.611) 5.464 5.438 ( 13.146 3.881 1.224) 13.762 5.583 ( 12.911 5.557 1.430) 14.128 5.831 ( 18.857 3.372 -1.047) 19.185 6.242 ( 1.252 -0.523 -5.495) 5.660 6.478 ( -0.734 3.246 -1.676) 3.726 6.895 ( -3.407 -5.668 -1.901) 6.881 7.157 ( -0.858 3.346 -2.013) 3.998 7.280 ( -6.505 0.976 3.648) 7.521 7.379 ( -9.451 -3.283 0.413) 10.013 7.504 ( -1.228 -4.026 4.716) 6.321 7.638 ( -9.570 -1.911 1.485) 9.871 7.800 ( -2.817 -5.740 -0.529) 6.416 7.891 ( 1.478 -3.688 1.735) 4.336 8.028 ( -1.609 3.834 -4.380) 6.039 8.217 ( -0.676 -1.571 -1.208) 2.094 8.386 ( -8.683 1.854 -10.830) 14.004 9.237 ( 1.823 -5.540 16.380) 17.387 10.056 ( -11.015 -6.859 -6.215) 14.387 12.776 ( 10.102 4.342 27.728) 29.829 13.863 ( -16.384 -6.482 40.620) 44.277 16.022 ( 11.422 2.734 -41.791) 43.410 17.184 ( -9.208 -3.590 -26.579) 28.357 17.934 ( 11.850 7.506 9.058) 16.697 18.164 ( 8.328 -1.553 2.922) 8.961 18.408 ( 15.375 9.976 1.263) 18.371 18.577 ( -3.315 -5.237 -6.474) 8.963 19.051 ( 7.587 2.304 9.043) 12.027 19.323 ( -0.099 0.666 22.102) 22.112 19.376 ( 1.347 3.806 6.030) 7.257 19.965 ( -3.175 0.628 19.012) 19.286 20.710 ( -15.866 -5.377 -7.249) 18.254 20.854 ( -11.342 -6.229 -2.875) 13.255 21.696 ( 4.081 -3.626 -16.653) 17.525 22.075 ( 10.576 -3.187 8.559) 13.974 22.584 ( -8.035 1.312 -5.094) 9.603 22.754 ( 12.414 3.710 3.536) 13.430 22.859 ( 3.475 -5.120 7.155) 9.460 23.275 ( 6.107 13.263 -10.823) 18.175 23.554 ( 8.168 9.914 0.175) 12.846 23.924 ( 10.141 -0.103 -8.632) 13.318 24.101 ( 2.125 3.642 -2.941) 5.141 24.302 ( -8.807 1.519 -4.771) 10.130 24.413 ( -5.352 -1.154 5.488) 7.752 24.574 ( -4.816 5.990 -1.200) 7.779 24.938 ( 12.429 -2.339 3.665) 13.167 25.328 ( 2.579 -6.805 8.311) 11.047 25.742 ( 3.943 0.541 -7.287) 8.303 26.064 ( -1.536 1.291 6.683) 6.977 26.310 ( 3.111 2.346 8.130) 9.016 26.733 ( -10.209 -0.299 1.563) 10.332 26.915 ( -2.184 -1.851 0.704) 2.948 27.435 ( -1.977 -2.092 -9.913) 10.323 27.569 ( -6.379 1.106 -2.967) 7.121 27.904 ( -7.705 -6.787 -8.378) 13.252 28.001 ( -0.039 -0.893 -8.869) 8.914 28.243 ( -2.380 -1.663 -6.634) 7.241 28.556 ( -3.183 -1.522 0.855) 3.631 28.800 ( -0.423 3.985 7.753) 8.727 28.977 ( -5.507 -3.117 6.670) 9.194 29.180 ( -1.859 4.740 -0.667) 5.135 29.318 ( 3.349 -1.435 -1.364) 3.891 29.407 ( 5.639 3.970 0.193) 6.899 29.661 ( 2.699 -0.480 8.997) 9.406 29.917 ( 3.034 -2.210 -3.818) 5.354 30.088 ( 2.168 3.931 2.424) 5.102 30.126 ( -5.161 -4.741 -6.220) 9.370 30.601 ( 0.047 -3.027 -3.643) 4.737 30.753 ( -4.127 -9.877 -0.151) 10.705 30.998 ( -1.575 -3.568 8.611) 9.453 31.261 ( -4.905 0.360 7.990) 9.383 31.644 ( -1.643 4.531 -9.893) 11.005 31.790 ( -3.268 -4.293 -10.090) 11.442 31.944 ( -3.302 -2.151 -0.527) 3.976 32.071 ( -6.653 -2.575 3.910) 8.136 32.255 ( -5.369 -3.725 -3.518) 7.421 32.457 ( -0.007 0.146 -6.611) 6.612 32.591 ( -4.957 -1.208 5.599) 7.575 32.839 ( -1.235 8.702 -0.262) 8.793 33.124 ( 4.637 0.027 1.200) 4.790 33.291 ( -7.751 -5.016 5.892) 10.952 33.407 ( 2.662 -2.501 1.390) 3.908 33.669 ( 6.854 5.709 0.076) 8.921 33.910 ( -0.960 0.347 3.298) 3.452 34.362 ( 2.214 -2.690 -6.498) 7.374 34.546 ( -1.424 -1.874 2.678) 3.565 34.820 ( -2.813 4.844 -3.119) 6.411 35.170 ( -6.999 8.536 10.709) 15.379 35.454 ( 0.968 -2.859 5.261) 6.065 35.603 ( 9.096 -6.179 2.680) 11.318 35.729 ( -7.468 -3.588 -2.328) 8.606 36.045 ( 1.139 -0.534 -3.101) 3.347 36.178 ( -4.357 -0.406 1.412) 4.598 36.544 ( -0.972 -0.175 -13.287) 13.324 36.775 ( -3.174 3.541 -9.056) 10.229 37.119 ( -1.106 -1.702 9.205) 9.426 37.252 ( 0.988 -4.475 3.556) 5.801 37.682 ( 6.666 1.728 -2.703) 7.398 37.934 ( -1.114 -1.171 -6.604) 6.799 38.492 ( 2.217 2.239 7.569) 8.199 38.595 ( 1.676 0.047 2.262) 2.816 38.951 ( 5.432 0.962 -1.045) 5.614 39.070 ( 3.548 3.807 -2.568) 5.803 ======================= Grid point 93 (23/45) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 20.777 5.727 14.708) 26.092 2.278 ( 24.054 9.784 7.651) 27.072 2.747 ( -3.444 3.785 -1.634) 5.372 2.936 ( -3.563 3.279 -1.546) 5.083 3.060 ( 9.665 -0.905 -1.760) 9.866 3.222 ( 13.783 3.199 0.065) 14.149 3.389 ( -5.267 -2.522 3.626) 6.874 3.559 ( 1.027 -0.706 -0.314) 1.285 3.671 ( -2.545 -3.245 -0.117) 4.126 3.915 ( -1.736 1.617 -2.918) 3.761 3.970 ( -6.954 -2.767 0.247) 7.488 4.100 ( -6.807 -1.392 -2.623) 7.427 4.461 ( 3.260 2.187 1.102) 4.077 4.682 ( -4.191 4.218 -0.961) 6.023 4.867 ( 1.754 8.383 -0.379) 8.573 4.987 ( -1.347 9.734 -2.876) 10.239 5.293 ( 2.744 -0.551 2.260) 3.597 5.363 ( 0.294 -2.120 -0.153) 2.145 5.715 ( 13.874 5.557 2.384) 15.134 5.973 ( 21.728 2.038 0.768) 21.837 6.190 ( 4.942 -0.988 0.068) 5.040 6.319 ( 16.609 0.738 -1.951) 16.739 6.490 ( 3.657 5.333 5.085) 8.227 6.758 ( -8.405 0.049 5.936) 10.290 7.075 ( -15.134 0.376 -0.335) 15.142 7.096 ( -11.140 -1.091 1.104) 11.248 7.244 ( 1.103 -3.458 -5.317) 6.437 7.428 ( -6.529 -3.308 -5.100) 8.921 7.522 ( -0.895 -3.190 2.484) 4.141 7.700 ( -7.092 -4.328 0.973) 8.365 7.914 ( 0.467 -0.178 -4.628) 4.655 8.002 ( -1.419 2.132 -5.226) 5.819 8.177 ( -3.506 0.539 0.065) 3.548 8.227 ( -4.290 2.036 -0.620) 4.789 9.343 ( 8.526 -7.455 8.049) 13.895 9.812 ( -13.039 -7.402 -3.685) 15.440 13.006 ( 12.725 2.625 29.192) 31.953 13.558 ( -14.649 -1.861 34.939) 37.932 16.290 ( 15.173 0.252 -42.872) 45.479 16.933 ( -15.154 -3.593 -37.443) 40.553 18.113 ( 7.401 0.211 6.201) 9.658 18.368 ( 6.283 -2.788 7.992) 10.541 18.452 ( 0.122 -5.629 2.776) 6.278 18.882 ( 22.871 9.717 -1.281) 24.883 18.953 ( -8.830 -1.316 17.148) 19.333 19.388 ( 0.855 7.308 -2.589) 7.800 19.596 ( 17.466 2.593 12.589) 21.686 19.925 ( 1.391 2.822 14.222) 14.566 20.319 ( -22.153 -2.520 2.328) 22.417 20.567 ( -17.554 -5.273 4.150) 18.793 21.842 ( 10.067 -3.858 -22.550) 24.994 22.239 ( -1.160 -4.261 -3.029) 5.355 22.484 ( 4.457 -4.660 0.812) 6.499 22.831 ( -3.363 -9.054 4.670) 10.728 23.068 ( 14.525 5.905 11.201) 19.269 23.380 ( 3.646 12.375 -8.663) 15.540 23.646 ( 2.040 8.743 3.929) 9.800 23.987 ( -11.073 6.268 3.423) 13.176 24.103 ( 5.574 -2.410 -7.554) 9.692 24.203 ( -0.256 2.170 -1.560) 2.684 24.395 ( 2.023 4.352 4.049) 6.279 24.478 ( -4.236 5.896 -0.770) 7.301 25.137 ( 7.054 -8.300 0.876) 10.928 25.320 ( -3.679 -9.664 8.354) 13.294 25.852 ( 8.274 3.364 2.223) 9.204 26.137 ( 9.024 -0.384 0.533) 9.048 26.313 ( -6.118 6.234 -3.816) 9.531 26.569 ( -6.107 -2.519 1.949) 6.888 26.902 ( 4.040 3.677 1.764) 5.740 27.322 ( -8.664 -1.278 2.151) 9.018 27.451 ( -5.767 -2.757 -3.550) 7.312 27.651 ( -12.579 -4.375 -3.813) 13.854 28.066 ( 4.650 -0.759 -6.393) 7.942 28.275 ( 3.787 2.511 3.045) 5.470 28.442 ( -7.080 -0.577 -6.454) 9.598 28.673 ( -9.988 4.648 3.472) 11.550 28.968 ( 3.920 -1.593 6.127) 7.446 29.165 ( -2.011 5.071 -5.564) 7.792 29.381 ( 5.557 -4.449 -1.355) 7.247 29.547 ( 4.321 1.357 -2.991) 5.427 29.755 ( 6.927 -4.375 4.673) 9.432 29.959 ( 0.107 -4.887 2.811) 5.639 30.033 ( -2.012 -0.246 -3.135) 3.733 30.180 ( 5.081 1.459 -1.294) 5.443 30.484 ( -6.817 -7.788 2.366) 10.617 30.792 ( 1.928 -3.897 -0.199) 4.352 30.957 ( -3.559 -4.038 3.244) 6.285 31.115 ( -5.263 0.376 -2.206) 5.719 31.575 ( -3.974 2.095 -4.242) 6.179 31.728 ( -5.306 0.248 -2.368) 5.816 31.860 ( -0.697 -1.860 -5.429) 5.781 32.046 ( -0.811 -0.188 -3.208) 3.314 32.129 ( -2.882 -1.922 -1.873) 3.938 32.392 ( -7.920 -1.738 0.230) 8.112 32.561 ( 2.985 1.680 0.029) 3.425 32.775 ( -4.679 4.992 -3.558) 7.712 33.111 ( -2.111 -2.336 6.901) 7.586 33.203 ( -3.181 -4.686 3.517) 6.667 33.554 ( 9.279 1.476 -2.155) 9.639 33.809 ( 4.834 4.321 -2.361) 6.900 33.908 ( 3.252 5.008 5.793) 8.320 34.352 ( -5.260 -3.776 0.596) 6.502 34.570 ( 4.727 -0.736 -3.101) 5.701 34.753 ( -3.342 7.379 -2.930) 8.614 35.064 ( -2.027 7.614 10.148) 12.847 35.360 ( -11.336 -0.577 3.018) 11.745 35.694 ( 6.469 -5.360 0.981) 8.458 35.805 ( 7.892 -4.698 0.314) 9.190 36.025 ( -3.250 0.603 -1.603) 3.674 36.091 ( -4.009 -2.876 0.155) 4.936 36.550 ( 1.708 0.810 -11.326) 11.483 36.697 ( -4.429 2.446 -8.815) 10.164 37.121 ( 1.326 -2.582 8.224) 8.721 37.229 ( -2.719 -3.631 4.345) 6.281 37.802 ( 5.025 -1.179 -2.497) 5.734 37.912 ( -1.240 -1.724 -4.625) 5.089 38.553 ( 3.300 2.122 4.807) 6.205 38.619 ( 0.438 0.225 2.406) 2.456 39.054 ( 4.485 0.563 -1.335) 4.713 39.121 ( 1.326 2.667 -2.305) 3.766 ======================= Grid point 94 (24/45) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -16.240 3.513 7.377) 18.180 2.526 ( 16.240 3.513 7.377) 18.180 2.694 ( -16.170 6.566 3.562) 17.812 2.694 ( 16.170 6.566 3.562) 17.812 3.243 ( -8.342 -2.959 0.061) 8.852 3.243 ( 8.342 -2.959 0.061) 8.852 3.487 ( -8.054 -4.375 -3.459) 9.797 3.487 ( 8.054 -4.375 -3.459) 9.797 3.771 ( -10.818 4.347 0.938) 11.696 3.771 ( 10.818 4.347 0.938) 11.696 3.974 ( -5.072 -1.421 -2.325) 5.758 3.974 ( 5.072 -1.421 -2.325) 5.758 4.556 ( -6.219 1.926 -1.293) 6.637 4.556 ( 6.219 1.926 -1.293) 6.637 4.939 ( -3.514 10.664 -1.318) 11.305 4.939 ( 3.514 10.664 -1.318) 11.305 5.342 ( -2.075 -1.816 1.251) 3.028 5.342 ( 2.075 -1.816 1.251) 3.028 5.983 ( -12.127 2.576 1.330) 12.469 5.983 ( 12.127 2.576 1.330) 12.469 6.458 ( -13.436 2.084 4.626) 14.362 6.458 ( 13.436 2.084 4.626) 14.362 6.670 ( -16.551 2.181 3.130) 16.985 6.670 ( 16.551 2.181 3.130) 16.985 6.839 ( -16.802 0.568 1.982) 16.928 6.839 ( 16.802 0.568 1.982) 16.928 7.304 ( -5.203 -6.617 -7.612) 11.349 7.304 ( 5.203 -6.617 -7.612) 11.349 7.565 ( -4.954 -1.609 0.035) 5.209 7.565 ( 4.954 -1.609 0.035) 5.209 7.945 ( -2.992 2.357 -6.211) 7.286 7.945 ( 2.992 2.357 -6.211) 7.286 8.171 ( -2.151 0.236 2.802) 3.540 8.171 ( 2.151 0.236 2.802) 3.540 9.555 ( -12.258 -7.753 0.928) 14.534 9.555 ( 12.258 -7.753 0.928) 14.534 13.274 ( -13.979 0.669 31.403) 34.381 13.274 ( 13.979 0.669 31.403) 34.381 16.611 ( -16.653 -1.889 -41.978) 45.200 16.611 ( 16.653 -1.889 -41.978) 45.200 18.262 ( -7.722 -5.456 3.910) 10.232 18.262 ( 7.722 -5.456 3.910) 10.232 18.684 ( -14.001 -0.184 14.720) 20.316 18.684 ( 14.001 -0.184 14.720) 20.316 19.310 ( -12.308 8.225 -5.734) 15.875 19.310 ( 12.308 8.225 -5.734) 15.875 19.878 ( -15.259 0.735 11.247) 18.970 19.878 ( 15.259 0.735 11.247) 18.970 20.187 ( -18.471 -1.329 8.776) 20.492 20.187 ( 18.471 -1.329 8.776) 20.492 22.066 ( -11.561 -2.687 -18.638) 22.096 22.066 ( 11.561 -2.687 -18.638) 22.096 22.687 ( -10.558 -10.689 8.078) 17.058 22.687 ( 10.558 -10.689 8.078) 17.058 23.324 ( -9.695 10.029 4.037) 14.521 23.324 ( 9.695 10.029 4.037) 14.521 23.754 ( -9.992 7.778 1.718) 12.779 23.754 ( 9.992 7.778 1.718) 12.779 24.190 ( -2.269 -1.815 -3.874) 4.843 24.190 ( 2.269 -1.815 -3.874) 4.843 24.426 ( -1.238 7.070 3.465) 7.970 24.426 ( 1.238 7.070 3.465) 7.970 25.237 ( -4.136 -11.278 3.001) 12.382 25.237 ( 4.136 -11.278 3.001) 12.382 26.068 ( -12.704 9.562 0.506) 15.909 26.068 ( 12.704 9.562 0.506) 15.909 26.399 ( -11.474 -4.220 -1.628) 12.333 26.399 ( 11.474 -4.220 -1.628) 12.333 27.090 ( -12.737 0.300 -0.477) 12.749 27.090 ( 12.737 0.300 -0.477) 12.749 27.452 ( -6.742 -1.095 2.574) 7.300 27.452 ( 6.742 -1.095 2.574) 7.300 28.202 ( -8.544 -0.395 -0.765) 8.587 28.202 ( 8.544 -0.395 -0.765) 8.587 28.477 ( -8.761 3.494 -1.923) 9.626 28.477 ( 8.761 3.494 -1.923) 9.626 29.077 ( -6.004 1.657 0.060) 6.228 29.077 ( 6.004 1.657 0.060) 6.228 29.518 ( -6.031 -4.187 -6.651) 9.907 29.518 ( 6.031 -4.187 -6.651) 9.907 29.901 ( -5.901 -4.486 2.173) 7.725 29.901 ( 5.901 -4.486 2.173) 7.725 30.104 ( -8.590 -1.457 3.920) 9.554 30.104 ( 8.590 -1.457 3.920) 9.554 30.598 ( -14.884 -1.923 3.409) 15.390 30.598 ( 14.884 -1.923 3.409) 15.390 31.023 ( -6.452 -4.008 -7.512) 10.683 31.023 ( 6.452 -4.008 -7.512) 10.683 31.587 ( -5.981 3.831 0.870) 7.155 31.587 ( 5.981 3.831 0.870) 7.155 31.939 ( -6.275 -3.099 -6.333) 9.439 31.939 ( 6.275 -3.099 -6.333) 9.439 32.218 ( -8.087 1.608 -0.453) 8.257 32.218 ( 8.087 1.608 -0.453) 8.257 32.659 ( -6.180 1.532 -1.079) 6.458 32.659 ( 6.180 1.532 -1.079) 6.458 33.132 ( -3.333 -4.071 5.240) 7.426 33.132 ( 3.333 -4.071 5.240) 7.426 33.724 ( -7.846 6.029 -5.348) 11.247 33.724 ( 7.846 6.029 -5.348) 11.247 34.146 ( -13.919 -1.274 6.800) 15.544 34.146 ( 13.919 -1.274 6.800) 15.544 34.680 ( -4.708 4.502 -4.025) 7.657 34.680 ( 4.708 4.502 -4.025) 7.657 35.134 ( -8.964 2.946 6.344) 11.370 35.134 ( 8.964 2.946 6.344) 11.370 35.838 ( -5.856 -4.878 0.505) 7.638 35.838 ( 5.856 -4.878 0.505) 7.638 36.011 ( -3.782 -1.350 -0.866) 4.108 36.011 ( 3.782 -1.350 -0.866) 4.108 36.610 ( -4.022 1.413 -9.640) 10.541 36.610 ( 4.022 1.413 -9.640) 10.541 37.167 ( -3.042 -2.959 6.222) 7.532 37.167 ( 3.042 -2.959 6.222) 7.532 37.877 ( -2.537 -2.029 -3.197) 4.558 37.877 ( 2.537 -2.029 -3.197) 4.558 38.606 ( -1.797 1.100 3.176) 3.811 38.606 ( 1.797 1.100 3.176) 3.811 39.117 ( -1.753 1.344 -1.824) 2.865 39.117 ( 1.753 1.344 -1.824) 2.865 ======================= Grid point 101 (25/45) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 15.192 15.192 17.506) 27.714 2.123 ( 20.645 20.645 8.594) 30.434 2.798 ( 5.455 5.455 -7.845) 11.003 2.873 ( 15.591 15.591 0.372) 22.052 2.965 ( 5.799 5.799 -0.546) 8.219 3.222 ( -3.159 -3.159 -4.484) 6.330 3.424 ( -3.432 -3.432 6.307) 7.958 3.553 ( 0.091 0.091 1.622) 1.627 3.641 ( -1.434 -1.434 3.566) 4.102 3.927 ( -6.274 -6.274 -3.339) 9.480 4.019 ( -3.846 -3.846 0.324) 5.449 4.149 ( -4.533 -4.533 -1.515) 6.587 4.472 ( 2.576 2.576 2.869) 4.637 4.791 ( 4.993 4.993 2.954) 7.654 4.979 ( -1.907 -1.907 -4.550) 5.289 5.065 ( -0.235 -0.235 0.022) 0.332 5.311 ( 8.163 8.163 3.444) 12.047 5.432 ( 10.325 10.325 -0.122) 14.602 5.557 ( 10.126 10.126 -0.575) 14.332 5.714 ( 9.323 9.323 -3.144) 13.554 5.963 ( 10.423 10.423 -0.722) 14.758 6.253 ( 1.556 1.556 0.108) 2.203 6.552 ( 3.627 3.627 -2.095) 5.541 6.773 ( -5.370 -5.370 -3.392) 8.318 7.205 ( 0.043 0.043 -3.664) 3.664 7.232 ( -7.249 -7.249 0.903) 10.292 7.302 ( -3.965 -3.965 5.474) 7.836 7.411 ( -3.875 -3.875 4.882) 7.339 7.588 ( -6.840 -6.840 2.729) 10.051 7.655 ( -5.097 -5.097 -1.708) 7.407 7.833 ( -1.522 -1.522 2.179) 3.063 8.084 ( 1.038 1.038 -6.543) 6.706 8.179 ( -1.617 -1.617 0.559) 2.354 8.407 ( -0.743 -0.743 -13.439) 13.480 9.126 ( -3.788 -3.788 15.869) 16.749 9.866 ( -11.766 -11.766 -5.821) 17.629 12.900 ( 7.875 7.875 28.691) 30.777 13.702 ( -9.308 -9.308 37.810) 40.036 16.124 ( 7.569 7.569 -43.584) 44.879 17.054 ( -9.284 -9.284 -35.537) 37.885 18.088 ( 2.367 2.367 5.447) 6.393 18.178 ( 8.150 8.150 11.529) 16.302 18.405 ( -7.485 -7.485 2.344) 10.842 18.732 ( 18.135 18.135 3.115) 25.836 19.042 ( -3.797 -3.797 10.710) 11.981 19.406 ( 6.554 6.554 15.169) 17.777 19.492 ( 8.697 8.697 -2.566) 12.564 19.966 ( -0.647 -0.647 13.285) 13.317 20.552 ( -10.840 -10.840 -3.806) 15.796 20.670 ( -11.913 -11.913 4.034) 17.324 21.656 ( 0.940 0.940 -22.771) 22.809 22.102 ( 5.577 5.577 15.504) 17.395 22.494 ( -8.496 -8.496 -12.317) 17.207 22.764 ( -3.214 -3.214 8.896) 9.990 22.959 ( 13.166 13.166 9.834) 21.057 23.475 ( 6.288 6.288 -11.630) 14.640 23.746 ( 8.357 8.357 -1.825) 11.959 23.969 ( 4.653 4.653 -2.695) 7.111 24.158 ( 1.059 1.059 -6.450) 6.621 24.368 ( 2.413 2.413 0.842) 3.515 24.386 ( -0.143 -0.143 3.525) 3.530 24.589 ( -2.867 -2.867 -6.707) 7.837 25.001 ( 5.692 5.692 11.327) 13.896 25.249 ( -0.226 -0.226 7.720) 7.727 25.635 ( -7.645 -7.645 5.052) 11.934 26.123 ( 4.092 4.092 -0.897) 5.856 26.402 ( 5.952 5.952 -2.727) 8.847 26.624 ( -7.685 -7.685 -5.566) 12.210 26.948 ( 2.419 2.419 10.386) 10.934 27.356 ( -5.814 -5.814 0.778) 8.259 27.583 ( -3.760 -3.760 -2.273) 5.782 27.680 ( -8.900 -8.900 -3.408) 13.040 28.013 ( 1.105 1.105 -10.622) 10.736 28.245 ( 2.085 2.085 -1.413) 3.270 28.576 ( 0.975 0.975 -2.686) 3.019 28.846 ( -0.949 -0.949 3.492) 3.740 28.927 ( -1.574 -1.574 3.319) 3.997 29.166 ( -5.490 -5.490 0.717) 7.797 29.291 ( 0.367 0.367 -2.111) 2.174 29.493 ( 4.274 4.274 -3.956) 7.224 29.654 ( 0.583 0.583 7.419) 7.465 29.928 ( -0.299 -0.299 -1.386) 1.450 30.011 ( -2.951 -2.951 -0.789) 4.247 30.165 ( 3.533 3.533 -1.953) 5.364 30.522 ( -9.058 -9.058 -1.638) 12.914 30.578 ( -2.227 -2.227 0.343) 3.169 30.973 ( 0.750 0.750 1.618) 1.935 31.230 ( -4.196 -4.196 7.192) 9.324 31.640 ( -7.513 -7.513 -12.644) 16.515 31.735 ( 1.248 1.248 -9.789) 9.947 31.864 ( -4.443 -4.443 -0.152) 6.285 32.052 ( 1.337 1.337 4.783) 5.143 32.184 ( -3.723 -3.723 -9.737) 11.070 32.404 ( -3.505 -3.505 -0.203) 4.960 32.555 ( -2.252 -2.252 7.465) 8.116 33.030 ( -1.936 -1.936 3.028) 4.083 33.077 ( 4.248 4.248 -3.198) 6.806 33.193 ( -3.782 -3.782 8.392) 9.952 33.393 ( 2.945 2.945 3.591) 5.499 33.825 ( 7.258 7.258 -4.897) 11.373 33.940 ( 3.865 3.865 3.135) 6.301 34.324 ( -1.282 -1.282 -5.111) 5.423 34.504 ( -1.763 -1.763 3.163) 4.027 34.897 ( 2.208 2.208 -3.946) 5.032 35.341 ( 0.622 0.622 8.557) 8.602 35.413 ( 3.046 3.046 0.692) 4.364 35.519 ( 0.435 0.435 1.889) 1.986 35.631 ( -5.236 -5.236 -2.873) 7.942 36.021 ( -1.440 -1.440 0.974) 2.257 36.134 ( -3.950 -3.950 2.542) 6.138 36.544 ( 0.232 0.232 -11.339) 11.343 36.797 ( -1.979 -1.979 -10.671) 11.032 37.073 ( -2.190 -2.190 8.977) 9.496 37.189 ( -1.912 -1.912 8.388) 8.813 37.727 ( 2.785 2.785 -4.883) 6.273 37.907 ( -1.499 -1.499 -7.266) 7.569 38.546 ( 2.904 2.904 6.991) 8.108 38.608 ( 1.178 1.178 3.488) 3.866 39.000 ( 3.740 3.740 -1.581) 5.521 39.139 ( 2.775 2.775 -3.319) 5.140 ======================= Grid point 102 (26/45) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 16.799 10.009 11.624) 22.749 2.535 ( 19.460 15.060 5.485) 25.211 2.842 ( -3.737 5.159 0.028) 6.370 3.000 ( -4.292 1.010 -1.620) 4.697 3.036 ( 5.231 -0.206 -2.124) 5.650 3.260 ( 2.283 -0.616 1.888) 3.026 3.374 ( 0.608 2.707 -0.035) 2.774 3.543 ( -2.834 -0.936 -1.157) 3.201 3.663 ( 4.966 2.155 4.232) 6.871 3.830 ( -1.799 -7.261 -1.149) 7.568 3.935 ( -4.330 -2.954 0.710) 5.289 4.048 ( -5.667 -3.447 -0.245) 6.638 4.529 ( 3.548 4.050 0.946) 5.467 4.764 ( -6.756 3.613 -0.843) 7.708 4.965 ( 2.690 -1.565 0.396) 3.137 5.065 ( -0.582 -2.935 -0.056) 2.993 5.445 ( 4.541 17.811 2.038) 18.494 5.526 ( 0.602 18.503 -0.837) 18.531 5.838 ( 13.387 6.909 -2.355) 15.247 6.021 ( 19.434 2.781 -1.731) 19.709 6.200 ( 5.606 2.258 1.943) 6.348 6.333 ( 12.982 0.686 -0.767) 13.022 6.610 ( 3.715 4.542 -0.050) 5.868 6.720 ( -1.320 -2.497 -3.030) 4.142 7.037 ( -12.372 -3.569 -1.853) 13.009 7.106 ( -10.978 1.111 3.615) 11.611 7.182 ( -4.503 -2.576 0.756) 5.242 7.363 ( -7.235 -3.805 0.495) 8.190 7.420 ( -0.900 -6.204 3.654) 7.256 7.580 ( -5.325 -7.465 3.486) 9.810 7.851 ( 3.210 -4.350 -1.058) 5.508 8.042 ( -4.633 -1.396 -6.590) 8.176 8.184 ( 1.887 2.935 0.603) 3.541 8.340 ( -5.216 7.799 -8.025) 12.346 9.148 ( 6.258 -11.125 7.878) 15.000 9.607 ( -13.720 -12.664 -4.244) 19.147 13.081 ( 10.034 4.708 30.092) 32.068 13.503 ( -10.484 -3.657 34.633) 36.369 16.317 ( 11.562 2.770 -44.745) 46.298 16.832 ( -12.635 -6.340 -41.617) 43.952 18.093 ( 0.707 -2.237 6.745) 7.141 18.239 ( -6.073 -8.223 7.410) 12.626 18.439 ( 12.660 3.736 14.281) 19.447 18.895 ( -8.237 -3.080 17.869) 19.916 19.153 ( 20.530 15.186 -4.663) 25.959 19.516 ( 3.935 4.509 -1.160) 6.097 19.705 ( 9.948 8.242 5.825) 14.171 19.968 ( 3.274 0.824 7.471) 8.198 20.255 ( -18.542 -3.368 2.709) 19.039 20.420 ( -12.753 -9.256 5.628) 16.733 21.756 ( 8.893 -3.617 -26.312) 28.008 22.201 ( -3.952 -0.094 -0.417) 3.975 22.350 ( 1.843 -7.580 -0.756) 7.837 22.675 ( -6.182 -6.144 15.565) 17.839 23.260 ( 16.168 12.599 10.972) 23.249 23.575 ( 4.675 6.246 -8.339) 11.420 23.826 ( -0.532 8.521 1.289) 8.635 24.052 ( -2.080 0.714 -2.566) 3.379 24.146 ( 0.569 4.511 -2.499) 5.188 24.256 ( -4.960 4.190 -1.105) 6.586 24.483 ( 4.053 0.496 0.234) 4.090 24.617 ( 4.034 8.823 -3.574) 10.339 24.991 ( -3.883 -4.921 7.741) 9.961 25.187 ( -8.258 -1.500 11.070) 13.892 25.725 ( 17.391 -13.896 2.690) 22.423 26.233 ( 7.004 8.627 -4.937) 12.160 26.424 ( -6.687 -1.520 -6.900) 9.729 26.509 ( -3.998 1.853 -7.673) 8.848 26.970 ( 0.624 0.930 10.489) 10.549 27.238 ( -10.652 -6.582 3.202) 12.924 27.366 ( -1.598 -2.557 11.557) 11.944 27.675 ( -1.853 5.944 -3.982) 7.390 28.049 ( 3.949 -0.359 -5.996) 7.189 28.327 ( 5.648 1.377 1.531) 6.012 28.477 ( -10.580 4.556 -4.426) 12.341 28.714 ( -10.007 -3.100 3.955) 11.198 28.980 ( 5.678 3.132 3.385) 7.315 29.113 ( 1.967 -10.010 -3.527) 10.794 29.328 ( 0.601 -1.694 -4.207) 4.574 29.500 ( -2.208 -6.857 -0.755) 7.243 29.675 ( -1.009 -0.427 -1.071) 1.532 29.876 ( 0.475 -4.878 2.006) 5.295 30.045 ( 1.019 3.815 3.886) 5.540 30.217 ( -0.097 2.045 -2.701) 3.390 30.387 ( 1.154 -3.346 -4.842) 5.997 30.617 ( 4.679 -9.524 -3.147) 11.068 30.938 ( -6.805 -0.475 -0.459) 6.837 31.090 ( -8.824 -2.827 2.033) 9.486 31.524 ( -1.006 -5.180 -8.811) 10.270 31.735 ( -2.927 -2.505 -2.994) 4.879 31.819 ( 1.541 0.461 -6.053) 6.263 32.036 ( -6.190 -1.582 -4.662) 7.909 32.149 ( 2.884 2.755 -2.217) 4.563 32.335 ( -4.376 -3.235 2.775) 6.108 32.568 ( 4.918 1.430 7.749) 9.288 32.891 ( -7.897 3.596 3.267) 9.271 33.107 ( -2.207 0.891 4.870) 5.420 33.143 ( -1.663 -0.034 4.043) 4.372 33.570 ( 12.495 1.458 -1.208) 12.637 33.911 ( 0.583 4.391 -8.001) 9.145 34.030 ( 4.371 7.674 2.844) 9.278 34.274 ( -4.667 -3.570 2.046) 6.222 34.546 ( 7.212 -1.914 -3.330) 8.171 34.883 ( -3.722 4.404 -4.427) 7.269 35.266 ( -3.842 9.914 5.158) 11.817 35.364 ( -7.492 2.811 2.046) 8.260 35.598 ( 5.948 -4.035 0.425) 7.200 35.693 ( 8.023 -5.274 -0.333) 9.608 35.983 ( -2.952 -3.976 3.706) 6.185 36.040 ( -4.465 -2.848 2.714) 5.951 36.561 ( 1.710 0.050 -9.319) 9.475 36.717 ( -5.144 -1.098 -9.569) 10.919 37.057 ( 0.691 -3.176 8.547) 9.144 37.147 ( -2.558 -4.030 7.867) 9.202 37.787 ( 2.955 -0.158 -6.001) 6.691 37.876 ( -1.661 -1.753 -7.246) 7.638 38.600 ( 2.336 2.276 6.168) 6.977 38.632 ( 0.866 1.082 4.765) 4.963 39.083 ( 4.137 2.285 -2.383) 5.292 39.172 ( 0.334 2.121 -3.425) 4.043 ======================= Grid point 103 (27/45) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -14.322 5.972 6.337) 16.761 2.624 ( 14.322 5.972 6.337) 16.761 2.862 ( -10.745 9.164 1.483) 14.200 2.862 ( 10.745 9.164 1.483) 14.200 3.166 ( -7.393 -3.458 1.990) 8.401 3.166 ( 7.393 -3.458 1.990) 8.401 3.454 ( -4.873 0.239 -3.694) 6.120 3.454 ( 4.873 0.239 -3.694) 6.120 3.790 ( -5.345 -2.246 2.024) 6.140 3.790 ( 5.345 -2.246 2.024) 6.140 3.928 ( -5.326 -2.762 0.132) 6.002 3.928 ( 5.326 -2.762 0.132) 6.002 4.625 ( -6.185 4.255 -0.523) 7.525 4.625 ( 6.185 4.255 -0.523) 7.525 5.029 ( -2.888 -3.491 0.587) 4.569 5.029 ( 2.888 -3.491 0.587) 4.569 5.508 ( -2.030 19.799 0.290) 19.905 5.508 ( 2.030 19.799 0.290) 19.905 6.055 ( -8.856 4.933 -2.150) 10.363 6.055 ( 8.856 4.933 -2.150) 10.363 6.480 ( -13.487 -0.574 0.801) 13.523 6.480 ( 13.487 -0.574 0.801) 13.523 6.710 ( -7.305 1.261 0.153) 7.414 6.710 ( 7.305 1.261 0.153) 7.414 6.850 ( -10.146 -0.214 0.398) 10.157 6.850 ( 10.146 -0.214 0.398) 10.157 7.209 ( -6.428 -1.786 -1.155) 6.771 7.209 ( 6.428 -1.786 -1.155) 6.771 7.470 ( -4.418 -7.484 4.860) 9.957 7.470 ( 4.418 -7.484 4.860) 9.957 7.938 ( -5.151 -3.599 -3.905) 7.398 7.938 ( 5.151 -3.599 -3.905) 7.398 8.243 ( -4.024 7.281 -2.175) 8.598 8.243 ( 4.024 7.281 -2.175) 8.598 9.342 ( -12.292 -13.081 -0.205) 17.951 9.342 ( 12.292 -13.081 -0.205) 17.951 13.290 ( -10.804 0.874 32.022) 33.807 13.290 ( 10.804 0.874 32.022) 33.807 16.569 ( -13.358 -2.003 -44.417) 46.425 16.569 ( 13.358 -2.003 -44.417) 46.425 18.137 ( -3.760 -6.324 7.882) 10.782 18.137 ( 3.760 -6.324 7.882) 10.782 18.689 ( -11.819 0.436 16.394) 20.216 18.689 ( 11.820 0.436 16.394) 20.216 19.490 ( -9.449 8.729 -7.636) 14.960 19.490 ( 9.449 8.729 -7.636) 14.960 19.896 ( -14.125 1.089 10.211) 17.463 19.896 ( 14.125 1.089 10.211) 17.463 20.158 ( -13.187 -1.398 4.386) 13.967 20.158 ( 13.187 -1.398 4.386) 13.967 21.981 ( -12.826 -5.701 -24.108) 27.896 21.981 ( 12.826 -5.701 -24.108) 27.896 22.516 ( -9.463 -5.404 18.140) 21.161 22.516 ( 9.463 -5.404 18.140) 21.161 23.548 ( -10.453 11.474 4.178) 16.074 23.548 ( 10.453 11.474 4.178) 16.074 23.875 ( -9.067 3.368 0.541) 9.687 23.875 ( 9.067 3.368 0.541) 9.687 24.203 ( -2.303 3.329 -4.361) 5.950 24.203 ( 2.303 3.329 -4.361) 5.950 24.586 ( -6.017 8.261 -0.057) 10.220 24.586 ( 6.017 8.261 -0.057) 10.220 25.022 ( -7.002 -8.450 8.058) 13.615 25.022 ( 7.002 -8.450 8.058) 13.615 26.127 ( -19.570 -8.244 -3.002) 21.447 26.127 ( 19.570 -8.244 -3.002) 21.447 26.401 ( -6.678 7.687 -7.964) 12.927 26.401 ( 6.678 7.687 -7.964) 12.927 27.028 ( -6.697 -4.519 7.607) 11.096 27.028 ( 6.697 -4.519 7.607) 11.096 27.522 ( -11.443 7.174 7.431) 15.415 27.522 ( 11.443 7.174 7.431) 15.415 28.211 ( -11.563 0.849 -4.022) 12.272 28.211 ( 11.563 0.849 -4.022) 12.272 28.508 ( -9.767 -1.106 1.732) 9.981 28.508 ( 9.767 -1.106 1.732) 9.981 29.104 ( -5.223 0.034 -1.437) 5.417 29.104 ( 5.223 0.034 -1.437) 5.417 29.383 ( -7.210 -7.345 -3.831) 10.982 29.383 ( 7.210 -7.345 -3.831) 10.982 29.769 ( -9.244 -8.156 3.748) 12.884 29.769 ( 9.244 -8.156 3.748) 12.884 30.131 ( -6.355 4.674 -2.617) 8.312 30.131 ( 6.355 4.674 -2.617) 8.312 30.577 ( -12.013 -2.381 -1.195) 12.305 30.577 ( 12.013 -2.381 -1.195) 12.305 30.899 ( -8.169 -6.202 -5.028) 11.423 30.899 ( 8.169 -6.202 -5.028) 11.423 31.615 ( -7.653 -1.005 -1.946) 7.961 31.615 ( 7.653 -1.005 -1.946) 7.961 31.904 ( -5.916 -0.508 -6.871) 9.081 31.904 ( 5.916 -0.508 -6.871) 9.081 32.234 ( -5.108 -0.784 0.476) 5.190 32.234 ( 5.108 -0.784 0.476) 5.190 32.720 ( -8.996 5.048 6.373) 12.125 32.720 ( 8.996 5.048 6.373) 12.125 33.101 ( -1.622 0.800 4.787) 5.117 33.101 ( 1.622 0.800 4.787) 5.117 33.806 ( -9.930 1.941 -6.881) 12.236 33.806 ( 9.930 1.941 -6.881) 12.236 34.149 ( -7.018 2.369 4.251) 8.540 34.149 ( 7.018 2.369 4.251) 8.540 34.741 ( -10.133 0.115 -5.961) 11.757 34.741 ( 10.133 0.115 -5.961) 11.757 35.248 ( -2.778 8.534 5.042) 10.294 35.248 ( 2.778 8.534 5.042) 10.294 35.730 ( -5.114 -5.176 -0.587) 7.300 35.730 ( 5.114 -5.176 -0.587) 7.300 35.967 ( -2.874 -3.102 3.961) 5.794 35.967 ( 2.874 -3.102 3.961) 5.794 36.620 ( -4.187 -0.817 -8.862) 9.835 36.620 ( 4.187 -0.817 -8.862) 9.835 37.093 ( -2.590 -3.940 7.812) 9.125 37.093 ( 2.590 -3.940 7.812) 9.125 37.838 ( -2.177 -1.571 -6.743) 7.257 37.838 ( 2.177 -1.571 -6.743) 7.257 38.633 ( -0.840 1.455 5.545) 5.794 38.633 ( 0.840 1.455 5.545) 5.794 39.151 ( -2.387 1.829 -3.058) 4.289 39.151 ( 2.387 1.829 -3.058) 4.289 ======================= Grid point 111 (28/45) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 11.615 11.615 7.995) 18.268 2.827 ( 11.636 11.636 1.762) 16.549 2.911 ( -1.032 -1.032 1.441) 2.051 2.954 ( -1.350 -1.350 2.748) 3.346 3.059 ( 2.236 2.236 -0.415) 3.189 3.272 ( 1.484 1.484 2.003) 2.901 3.425 ( 0.938 0.938 -4.787) 4.967 3.528 ( -1.170 -1.170 0.371) 1.695 3.674 ( -3.722 -3.722 1.818) 5.569 3.752 ( 3.448 3.448 1.488) 5.099 3.846 ( -4.892 -4.892 3.030) 7.553 3.972 ( -4.208 -4.208 2.384) 6.411 4.611 ( 4.282 4.282 0.732) 6.100 4.802 ( -1.498 -1.498 0.322) 2.142 4.891 ( -2.284 -2.284 0.459) 3.262 4.986 ( -3.674 -3.674 1.531) 5.417 5.808 ( 12.021 12.021 -3.331) 17.323 5.902 ( 13.615 13.615 1.987) 19.357 5.996 ( 10.370 10.370 -5.446) 15.644 6.142 ( 10.910 10.910 -3.233) 15.763 6.278 ( 4.510 4.510 4.417) 7.759 6.362 ( 4.468 4.468 0.937) 6.388 6.605 ( -0.446 -0.446 -11.254) 11.272 6.704 ( -2.525 -2.525 -4.915) 6.075 6.982 ( -3.428 -3.428 0.346) 4.860 7.073 ( -7.880 -7.880 -0.879) 11.178 7.126 ( -3.257 -3.257 7.302) 8.633 7.244 ( -2.958 -2.958 4.551) 6.181 7.292 ( -6.399 -6.399 3.897) 9.853 7.477 ( -3.008 -3.008 4.305) 6.053 7.786 ( -1.052 -1.052 1.577) 2.168 7.953 ( -6.089 -6.089 -1.745) 8.785 8.289 ( 6.582 6.582 -2.536) 9.648 8.474 ( 3.384 3.384 -9.476) 10.616 8.973 ( -3.664 -3.664 5.347) 7.446 9.331 ( -14.452 -14.452 -4.408) 20.909 13.187 ( 5.816 5.816 31.281) 32.344 13.415 ( -5.087 -5.087 33.797) 34.554 16.403 ( 5.803 5.803 -46.539) 47.257 16.691 ( -7.581 -7.581 -45.226) 46.479 18.045 ( -1.993 -1.993 9.655) 10.057 18.099 ( -5.388 -5.388 10.689) 13.126 18.553 ( 6.937 6.937 16.785) 19.442 18.815 ( -5.052 -5.052 17.306) 18.723 19.457 ( 14.005 14.005 -5.594) 20.582 19.588 ( 3.404 3.404 0.354) 4.827 19.836 ( 2.295 2.295 3.486) 4.762 19.993 ( 4.108 4.108 2.357) 6.270 20.177 ( -7.940 -7.940 -2.068) 11.418 20.226 ( -6.664 -6.664 7.818) 12.244 21.741 ( 2.724 2.724 -27.454) 27.723 22.078 ( -11.140 -11.140 -26.424) 30.764 22.342 ( 5.606 5.606 24.775) 26.013 22.575 ( -4.649 -4.649 24.386) 25.257 23.532 ( 13.401 13.401 8.030) 20.583 23.664 ( 4.349 4.349 -5.885) 8.513 23.943 ( 2.134 2.134 -1.385) 3.320 24.024 ( -3.964 -3.964 1.009) 5.696 24.221 ( 2.564 2.564 -4.625) 5.877 24.300 ( -1.892 -1.892 -1.693) 3.167 24.507 ( 6.828 6.828 -2.931) 10.091 24.783 ( 6.663 6.663 1.340) 9.518 24.880 ( -5.595 -5.595 6.131) 10.009 25.271 ( -4.745 -4.745 -1.053) 6.792 25.486 ( 4.464 4.464 11.562) 13.173 26.231 ( -14.613 -14.613 -7.865) 22.112 26.434 ( 8.907 8.907 -10.164) 16.186 26.567 ( 0.617 0.617 -5.045) 5.120 26.946 ( -0.383 -0.383 17.069) 17.077 27.124 ( -4.611 -4.611 6.442) 9.166 27.436 ( 8.924 8.924 12.225) 17.571 27.791 ( 2.899 2.899 -6.843) 7.977 28.032 ( -0.624 -0.624 -2.478) 2.631 28.372 ( 3.230 3.230 7.560) 8.833 28.453 ( -12.271 -12.271 -1.799) 17.447 28.641 ( 1.355 1.355 2.066) 2.818 28.911 ( -6.141 -6.141 -1.784) 8.866 29.054 ( 2.434 2.434 0.591) 3.493 29.281 ( -4.055 -4.055 7.670) 9.577 29.370 ( -2.483 -2.483 -9.121) 9.774 29.704 ( -4.818 -4.818 3.314) 7.577 29.759 ( 0.606 0.606 -8.405) 8.448 30.156 ( -0.516 -0.516 11.341) 11.365 30.213 ( 1.978 1.978 -8.992) 9.417 30.352 ( 2.544 2.544 -20.457) 20.771 30.528 ( -1.166 -1.166 -2.830) 3.276 30.854 ( -6.066 -6.066 -6.390) 10.697 31.021 ( -5.133 -5.133 7.556) 10.478 31.469 ( 1.337 1.337 0.024) 1.891 31.669 ( -3.274 -3.274 -2.176) 5.116 31.854 ( 2.254 2.254 -7.224) 7.896 32.002 ( -2.157 -2.157 -7.293) 7.905 32.140 ( -1.555 -1.555 1.538) 2.683 32.277 ( -4.085 -4.085 4.779) 7.497 32.674 ( 8.342 8.342 6.100) 13.280 32.895 ( -1.759 -1.759 4.791) 5.398 33.121 ( 0.107 0.107 -1.999) 2.005 33.162 ( 0.627 0.627 10.300) 10.339 33.658 ( 7.163 7.163 -1.708) 10.272 33.939 ( -2.319 -2.319 -9.293) 9.854 34.189 ( 6.349 6.349 0.192) 8.981 34.231 ( -0.245 -0.245 2.477) 2.501 34.530 ( 2.203 2.203 -5.430) 6.260 34.866 ( -6.394 -6.394 -7.510) 11.755 35.374 ( 3.487 3.487 3.660) 6.141 35.465 ( 1.241 1.241 2.117) 2.750 35.578 ( 2.941 2.941 1.112) 4.306 35.642 ( 1.430 1.430 0.440) 2.070 35.908 ( -3.105 -3.105 7.213) 8.445 35.965 ( -4.048 -4.048 5.720) 8.093 36.557 ( -0.029 -0.029 -7.958) 7.958 36.657 ( -4.265 -4.265 -8.963) 10.803 37.018 ( -0.604 -0.604 8.407) 8.450 37.077 ( -2.996 -2.996 8.743) 9.715 37.795 ( 0.839 0.839 -8.945) 9.024 37.843 ( -1.496 -1.496 -9.499) 9.732 38.637 ( 1.533 1.533 7.181) 7.502 38.655 ( 0.901 0.901 7.173) 7.285 39.136 ( 2.788 2.788 -3.539) 5.298 39.197 ( 0.324 0.324 -4.063) 4.088 ======================= Grid point 112 (29/45) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -10.268 6.012 4.594) 12.755 2.748 ( 10.268 6.012 4.594) 12.755 2.958 ( -1.087 -1.134 0.483) 1.644 2.958 ( 1.087 -1.134 0.483) 1.644 3.199 ( -9.094 7.872 3.220) 12.452 3.199 ( 9.094 7.872 3.220) 12.452 3.462 ( -3.704 -0.526 -3.925) 5.422 3.462 ( 3.704 -0.526 -3.925) 5.422 3.707 ( -5.261 -4.755 3.079) 7.731 3.707 ( 5.261 -4.755 3.079) 7.731 3.878 ( -5.173 -2.200 2.742) 6.255 3.878 ( 5.173 -2.200 2.742) 6.255 4.707 ( -5.483 3.983 0.830) 6.828 4.707 ( 5.483 3.983 0.830) 6.828 4.919 ( -3.044 -5.958 1.177) 6.793 4.919 ( 3.044 -5.958 1.177) 6.793 5.944 ( -3.130 19.306 -3.364) 19.846 5.944 ( 3.130 19.306 -3.364) 19.846 6.206 ( -5.212 11.294 -0.817) 12.466 6.206 ( 5.212 11.294 -0.817) 12.466 6.425 ( -8.440 -4.307 -4.525) 10.500 6.425 ( 8.440 -4.307 -4.525) 10.500 6.707 ( -5.438 -2.486 -0.475) 5.998 6.707 ( 5.438 -2.486 -0.475) 5.998 6.831 ( -2.414 -0.056 -2.024) 3.151 6.831 ( 2.414 -0.056 -2.024) 3.151 7.151 ( -3.587 -9.364 2.499) 10.334 7.151 ( 3.587 -9.364 2.500) 10.334 7.367 ( -7.581 1.577 6.733) 10.261 7.367 ( 7.581 1.577 6.733) 10.261 7.834 ( -5.147 -5.922 0.993) 7.909 7.834 ( 5.147 -5.922 0.993) 7.909 8.426 ( -6.427 10.177 -4.118) 12.722 8.426 ( 6.427 10.177 -4.118) 12.722 9.065 ( -11.087 -13.845 -2.202) 17.873 9.065 ( 11.087 -13.845 -2.202) 17.873 13.305 ( -5.883 0.574 32.583) 33.114 13.305 ( 5.883 0.574 32.583) 33.114 16.538 ( -7.500 -0.984 -46.965) 47.570 16.538 ( 7.500 -0.984 -46.965) 47.570 18.033 ( -1.183 -3.736 11.502) 12.151 18.033 ( 1.183 -3.736 11.502) 12.151 18.694 ( -6.894 0.042 17.339) 18.659 18.694 ( 6.894 0.042 17.339) 18.659 19.625 ( -2.150 4.364 -3.274) 5.864 19.625 ( 2.150 4.364 -3.274) 5.864 19.927 ( -10.070 2.065 4.085) 11.062 19.927 ( 10.070 2.065 4.085) 11.062 20.133 ( -5.141 -1.101 0.567) 5.288 20.133 ( 5.141 -1.101 0.567) 5.288 21.864 ( -9.211 -5.077 -27.771) 29.696 21.864 ( 9.211 -5.077 -27.771) 29.696 22.468 ( -6.166 -0.255 26.823) 27.524 22.468 ( 6.166 -0.255 26.823) 27.524 23.716 ( -3.303 4.062 -1.090) 5.348 23.716 ( 3.303 4.062 -1.090) 5.348 23.945 ( -2.448 5.197 2.823) 6.401 23.945 ( 2.448 5.197 2.823) 6.401 24.255 ( -1.738 0.429 -5.807) 6.076 24.255 ( 1.738 0.429 -5.807) 6.076 24.696 ( -9.603 1.729 1.988) 9.958 24.696 ( 9.603 1.729 1.988) 9.958 25.002 ( -12.911 7.698 2.911) 15.311 25.002 ( 12.911 7.698 2.911) 15.311 25.849 ( -21.876 -16.902 -0.027) 27.645 25.849 ( 21.876 -16.902 -0.027) 27.645 26.550 ( -2.445 4.580 -6.311) 8.172 26.550 ( 2.445 4.580 -6.311) 8.172 27.013 ( -6.211 3.809 11.542) 13.649 27.013 ( 6.211 3.809 11.542) 13.649 27.673 ( -12.534 7.148 3.035) 14.745 27.673 ( 12.534 7.148 3.035) 14.745 28.147 ( -11.921 -8.445 0.236) 14.612 28.147 ( 11.921 -8.445 0.236) 14.612 28.538 ( -9.095 6.682 3.282) 11.753 28.538 ( 9.095 6.682 3.282) 11.753 28.975 ( -8.558 -11.517 0.067) 14.348 28.975 ( 8.558 -11.517 0.067) 14.348 29.304 ( -6.030 -3.154 0.459) 6.821 29.304 ( 6.030 -3.154 0.459) 6.821 29.696 ( -5.644 3.091 -3.327) 7.244 29.696 ( 5.644 3.091 -3.327) 7.244 30.199 ( -4.911 -0.696 -3.022) 5.809 30.199 ( 4.911 -0.696 -3.022) 5.809 30.451 ( -6.333 -7.167 -17.525) 19.965 30.451 ( 6.333 -7.167 -17.525) 19.965 30.871 ( -7.607 2.501 5.664) 9.809 30.871 ( 7.607 2.501 5.664) 9.809 31.569 ( -6.660 -3.185 3.363) 8.112 31.569 ( 6.660 -3.185 3.363) 8.112 31.925 ( -4.742 2.962 -8.860) 10.476 31.925 ( 4.742 2.962 -8.860) 10.476 32.178 ( -4.719 -4.490 3.213) 7.263 32.178 ( 4.719 -4.490 3.213) 7.263 32.824 ( -5.750 3.998 2.802) 7.543 32.824 ( 5.750 3.998 2.802) 7.543 33.143 ( -1.984 2.889 6.316) 7.223 33.143 ( 1.984 2.889 6.316) 7.223 33.822 ( -8.291 0.170 -5.076) 9.723 33.822 ( 8.291 0.170 -5.076) 9.723 34.241 ( -0.721 6.289 0.264) 6.336 34.241 ( 0.721 6.289 0.264) 6.336 34.676 ( -10.810 -5.874 -7.634) 14.479 34.676 ( 10.810 -5.874 -7.634) 14.479 35.433 ( -2.828 8.760 3.405) 9.814 35.433 ( 2.828 8.760 3.405) 9.814 35.651 ( -3.186 -2.933 0.132) 4.333 35.651 ( 3.186 -2.933 0.132) 4.333 35.898 ( -2.432 -3.304 8.123) 9.100 35.898 ( 2.432 -3.304 8.123) 9.100 36.581 ( -2.728 -2.514 -8.031) 8.846 36.581 ( 2.728 -2.514 -8.031) 8.846 37.030 ( -1.647 -2.142 8.408) 8.832 37.030 ( 1.647 -2.142 8.408) 8.832 37.816 ( -1.232 -0.703 -10.167) 10.266 37.816 ( 1.232 -0.703 -10.167) 10.266 38.659 ( -0.525 1.055 7.821) 7.909 38.659 ( 0.525 1.055 7.821) 7.909 39.183 ( -1.684 1.268 -4.119) 4.627 39.183 ( 1.684 1.268 -4.119) 4.627 ======================= Grid point 125 (30/45) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 0.000 0.000 2.642) 2.642 2.830 ( 0.000 0.000 2.642) 2.642 2.915 ( -0.000 -0.000 3.151) 3.151 2.915 ( 0.000 0.000 3.151) 3.151 3.350 ( 0.000 0.000 1.311) 1.311 3.350 ( 0.000 0.000 1.311) 1.311 3.405 ( -0.000 -0.000 -4.183) 4.183 3.405 ( 0.000 0.000 -4.183) 4.183 3.656 ( 0.000 0.000 6.261) 6.261 3.656 ( 0.000 0.000 6.261) 6.261 3.852 ( 0.000 0.000 1.568) 1.568 3.852 ( 0.000 0.000 1.568) 1.568 4.771 ( -0.000 -0.000 3.858) 3.858 4.771 ( 0.000 0.000 3.858) 3.858 4.833 ( 0.000 0.000 -1.141) 1.141 4.833 ( 0.000 0.000 -1.141) 1.141 6.156 ( -0.000 -0.000 -3.775) 3.775 6.156 ( 0.000 0.000 -3.775) 3.775 6.294 ( -0.000 -0.000 -9.575) 9.575 6.294 ( 0.000 0.000 -9.575) 9.575 6.530 ( -0.000 -0.000 1.780) 1.780 6.530 ( 0.000 0.000 1.780) 1.780 6.573 ( -0.000 -0.000 -0.030) 0.030 6.573 ( 0.000 0.000 -0.030) 0.030 6.878 ( -0.000 -0.000 1.401) 1.401 6.878 ( 0.000 0.000 1.401) 1.401 6.959 ( -0.000 -0.000 -0.950) 0.950 6.959 ( 0.000 0.000 -0.950) 0.950 7.422 ( 0.000 0.000 6.070) 6.070 7.422 ( 0.000 0.000 6.070) 6.070 7.757 ( 0.000 0.000 3.516) 3.516 7.757 ( 0.000 0.000 3.516) 3.516 8.574 ( 0.000 0.000 -2.459) 2.459 8.574 ( 0.000 0.000 -2.459) 2.459 8.878 ( -0.000 -0.000 -4.626) 4.626 8.878 ( 0.000 0.000 -4.626) 4.626 13.311 ( 0.000 0.000 32.799) 32.799 13.311 ( 0.000 0.000 32.799) 32.799 16.529 ( 0.000 0.000 -48.076) 48.076 16.529 ( 0.000 0.000 -48.076) 48.076 17.996 ( 0.000 0.000 12.950) 12.950 17.996 ( 0.000 0.000 12.950) 12.950 18.694 ( 0.000 0.000 17.690) 17.690 18.694 ( 0.000 0.000 17.690) 17.690 19.665 ( 0.000 0.000 0.968) 0.968 19.665 ( 0.000 0.000 0.968) 0.968 19.956 ( -0.000 -0.000 -1.624) 1.624 19.956 ( 0.000 0.000 -1.624) 1.624 20.119 ( 0.000 0.000 0.083) 0.083 20.119 ( 0.000 0.000 0.083) 0.083 21.810 ( 0.000 0.000 -28.601) 28.601 21.810 ( 0.000 0.000 -28.601) 28.601 22.471 ( 0.000 0.000 29.821) 29.821 22.471 ( 0.000 0.000 29.821) 29.821 23.745 ( 0.000 0.000 -3.227) 3.227 23.745 ( 0.000 0.000 -3.227) 3.227 24.018 ( 0.000 0.000 3.519) 3.519 24.018 ( 0.000 0.000 3.519) 3.519 24.245 ( 0.000 0.000 -6.727) 6.727 24.245 ( 0.000 0.000 -6.727) 6.727 24.705 ( 0.000 0.000 4.826) 4.826 24.705 ( 0.000 0.000 4.826) 4.826 25.161 ( 0.000 0.000 -8.875) 8.875 25.161 ( 0.000 0.000 -8.875) 8.875 25.607 ( 0.000 0.000 10.414) 10.414 25.607 ( 0.000 0.000 10.414) 10.414 26.586 ( 0.000 0.000 -1.628) 1.628 26.586 ( 0.000 0.000 -1.628) 1.628 27.085 ( 0.000 0.000 7.240) 7.240 27.085 ( 0.000 0.000 7.240) 7.240 27.771 ( 0.000 0.000 -3.895) 3.895 27.771 ( 0.000 0.000 -3.895) 3.895 28.006 ( 0.000 0.000 7.946) 7.946 28.006 ( 0.000 0.000 7.946) 7.946 28.727 ( 0.000 0.000 -4.970) 4.970 28.727 ( 0.000 0.000 -4.970) 4.970 28.745 ( -0.000 -0.000 9.982) 9.982 28.745 ( -0.000 -0.000 9.982) 9.982 29.252 ( 0.000 0.000 4.140) 4.140 29.252 ( 0.000 0.000 4.140) 4.140 29.786 ( -0.000 -0.000 -13.522) 13.522 29.786 ( 0.000 0.000 -13.522) 13.522 30.126 ( 0.000 0.000 2.090) 2.090 30.126 ( 0.000 0.000 2.090) 2.090 30.396 ( 0.000 0.000 -22.769) 22.769 30.396 ( 0.000 0.000 -22.769) 22.769 30.912 ( 0.000 0.000 7.189) 7.189 30.912 ( 0.000 0.000 7.189) 7.189 31.527 ( 0.000 0.000 8.857) 8.857 31.527 ( 0.000 0.000 8.857) 8.857 31.985 ( 0.000 0.000 -18.099) 18.099 31.985 ( 0.000 0.000 -18.099) 18.099 32.103 ( -0.000 -0.000 10.601) 10.601 32.103 ( 0.000 0.000 10.601) 10.601 32.862 ( 0.000 0.000 -0.696) 0.696 32.862 ( 0.000 0.000 -0.696) 0.696 33.181 ( 0.000 0.000 8.354) 8.354 33.181 ( 0.000 0.000 8.354) 8.354 33.822 ( 0.000 0.000 -3.980) 3.980 33.822 ( 0.000 0.000 -3.980) 3.980 34.337 ( 0.000 0.000 -1.315) 1.315 34.337 ( 0.000 0.000 -1.315) 1.315 34.582 ( 0.000 0.000 -8.280) 8.280 34.582 ( 0.000 0.000 -8.280) 8.280 35.557 ( 0.000 0.000 2.221) 2.221 35.557 ( 0.000 0.000 2.221) 2.221 35.593 ( 0.000 0.000 0.433) 0.433 35.593 ( 0.000 0.000 0.433) 0.433 35.862 ( 0.000 0.000 10.433) 10.433 35.862 ( 0.000 0.000 10.433) 10.433 36.550 ( 0.000 0.000 -7.682) 7.682 36.550 ( 0.000 0.000 -7.682) 7.682 37.009 ( 0.000 0.000 8.356) 8.356 37.009 ( 0.000 0.000 8.356) 8.356 37.809 ( 0.000 0.000 -11.506) 11.506 37.809 ( 0.000 0.000 -11.506) 11.506 38.670 ( 0.000 0.000 8.718) 8.718 38.670 ( 0.000 0.000 8.718) 8.718 39.196 ( 0.000 0.000 -4.516) 4.516 39.196 ( 0.000 0.000 -4.516) 4.516 ======================= Grid point 162 (31/45) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.000 -0.000 31.771) 31.771 1.456 ( 0.000 -0.000 29.998) 29.998 2.018 ( 0.000 -0.000 -27.193) 27.193 2.031 ( 0.000 -0.000 -22.029) 22.029 2.341 ( 0.000 0.000 41.931) 41.931 3.093 ( -0.000 0.000 -26.673) 26.673 3.770 ( 0.000 0.000 4.148) 4.148 3.779 ( 0.000 0.000 2.337) 2.337 3.827 ( -0.000 -0.000 10.370) 10.370 4.026 ( 0.000 0.000 -8.518) 8.518 4.304 ( -0.000 -0.000 -0.685) 0.685 4.330 ( -0.000 -0.000 -3.369) 3.369 4.427 ( 0.000 0.000 9.544) 9.544 4.632 ( -0.000 -0.000 -8.922) 8.922 4.694 ( 0.000 0.000 13.490) 13.490 4.889 ( 0.000 0.000 -1.979) 1.979 5.127 ( 0.000 -0.000 -1.512) 1.512 5.182 ( 0.000 0.000 -6.726) 6.726 5.297 ( 0.000 0.000 2.557) 2.557 5.339 ( 0.000 0.000 -1.001) 1.001 5.466 ( 0.000 0.000 7.153) 7.153 5.725 ( 0.000 0.000 -19.004) 19.004 6.470 ( 0.000 0.000 -1.845) 1.845 6.505 ( 0.000 0.000 -5.566) 5.566 7.568 ( -0.000 -0.000 4.935) 4.935 7.601 ( 0.000 0.000 4.116) 4.116 7.634 ( -0.000 0.000 5.655) 5.655 7.687 ( -0.000 0.000 0.633) 0.633 7.865 ( -0.000 -0.000 7.505) 7.505 7.869 ( -0.000 -0.000 -0.144) 0.144 7.950 ( 0.000 0.000 -4.142) 4.142 7.999 ( 0.000 0.000 -4.516) 4.516 8.193 ( -0.000 0.000 2.178) 2.178 8.325 ( 0.000 0.000 -9.182) 9.182 9.747 ( 0.000 -0.000 19.729) 19.729 10.117 ( 0.000 0.000 -14.754) 14.754 13.260 ( 0.000 0.000 44.374) 44.374 14.293 ( 0.000 0.000 -51.127) 51.127 16.157 ( 0.000 0.000 31.555) 31.555 16.822 ( 0.000 0.000 -26.734) 26.734 17.771 ( 0.000 0.000 14.297) 14.297 17.939 ( 0.000 0.000 -4.573) 4.573 18.153 ( 0.000 0.000 9.652) 9.652 18.393 ( 0.000 0.000 -12.758) 12.758 18.901 ( -0.000 0.000 26.762) 26.762 19.492 ( -0.000 0.000 -15.811) 15.811 20.313 ( -0.000 -0.000 28.003) 28.003 20.465 ( -0.000 -0.000 -4.666) 4.666 20.661 ( 0.000 0.000 -11.981) 11.981 20.829 ( 0.000 0.000 -20.419) 20.419 21.690 ( 0.000 0.000 11.952) 11.952 21.970 ( 0.000 0.000 -13.423) 13.423 22.290 ( 0.000 0.000 14.757) 14.757 22.351 ( 0.000 0.000 14.732) 14.732 22.722 ( 0.000 0.000 -18.910) 18.910 22.812 ( 0.000 0.000 -19.344) 19.344 23.084 ( 0.000 0.000 12.246) 12.246 23.162 ( -0.000 0.000 5.371) 5.371 24.069 ( 0.000 0.000 6.088) 6.088 24.402 ( 0.000 0.000 -21.962) 21.962 24.484 ( 0.000 0.000 -3.281) 3.281 24.519 ( -0.000 0.000 -8.747) 8.747 24.743 ( 0.000 0.000 1.511) 1.511 24.750 ( 0.000 0.000 -1.122) 1.122 26.313 ( 0.000 0.000 50.014) 50.014 26.463 ( 0.000 0.000 3.689) 3.689 26.534 ( 0.000 0.000 1.535) 1.535 26.891 ( 0.000 0.000 17.110) 17.110 27.138 ( -0.000 -0.000 -3.845) 3.845 27.216 ( -0.000 0.000 -0.289) 0.289 27.353 ( 0.000 0.000 -45.694) 45.694 27.451 ( 0.000 0.000 -19.416) 19.416 27.987 ( 0.000 0.000 14.102) 14.102 28.265 ( 0.000 0.000 -12.052) 12.052 28.902 ( 0.000 0.000 4.531) 4.531 28.967 ( 0.000 0.000 1.703) 1.703 29.009 ( 0.000 0.000 16.882) 16.882 29.252 ( 0.000 0.000 0.610) 0.610 29.280 ( 0.000 0.000 -7.799) 7.799 29.302 ( 0.000 0.000 -5.342) 5.342 29.901 ( -0.000 0.000 -3.281) 3.281 29.902 ( 0.000 0.000 11.901) 11.901 29.929 ( -0.000 0.000 -4.115) 4.115 30.173 ( 0.000 0.000 -12.120) 12.120 30.638 ( 0.000 0.000 7.344) 7.344 30.820 ( 0.000 0.000 -9.492) 9.492 31.330 ( 0.000 0.000 16.628) 16.628 31.406 ( -0.000 -0.000 7.865) 7.865 31.568 ( 0.000 0.000 -1.364) 1.364 31.654 ( 0.000 0.000 -15.621) 15.621 31.917 ( 0.000 0.000 4.020) 4.020 32.118 ( 0.000 0.000 -9.991) 9.991 32.632 ( 0.000 0.000 12.207) 12.207 32.736 ( 0.000 0.000 0.895) 0.895 32.778 ( 0.000 0.000 -1.880) 1.880 32.916 ( 0.000 0.000 8.415) 8.415 32.948 ( 0.000 0.000 -16.331) 16.331 33.084 ( 0.000 0.000 -5.484) 5.484 33.490 ( 0.000 0.000 20.483) 20.483 33.904 ( 0.000 0.000 -17.530) 17.530 33.996 ( -0.000 0.000 13.753) 13.753 34.252 ( 0.000 0.000 -10.079) 10.079 34.649 ( 0.000 0.000 13.960) 13.960 34.897 ( 0.000 0.000 -9.676) 9.676 35.660 ( 0.000 0.000 9.228) 9.228 35.661 ( 0.000 0.000 8.536) 8.536 35.782 ( -0.000 0.000 11.896) 11.896 35.818 ( -0.000 -0.000 -5.657) 5.657 35.818 ( 0.000 0.000 -6.037) 6.037 36.097 ( 0.000 0.000 -16.996) 16.996 36.574 ( 0.000 0.000 2.055) 2.055 36.637 ( 0.000 0.000 -3.817) 3.817 37.121 ( 0.000 0.000 5.630) 5.630 37.238 ( -0.000 -0.000 -5.261) 5.261 37.463 ( 0.000 0.000 12.722) 12.722 37.729 ( 0.000 0.000 -12.346) 12.346 38.603 ( 0.000 0.000 3.488) 3.488 38.681 ( -0.000 -0.000 -3.778) 3.778 38.789 ( 0.000 0.000 4.199) 4.199 38.849 ( -0.000 -0.000 -1.451) 1.451 ======================= Grid point 163 (32/45) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 16.252 0.000 26.846) 31.382 1.693 ( 21.817 0.000 24.511) 32.814 2.127 ( 9.699 0.000 -23.042) 25.000 2.189 ( 14.969 0.000 -21.429) 26.139 2.426 ( 8.860 0.000 37.891) 38.913 3.097 ( 0.407 0.000 -23.796) 23.800 3.731 ( -3.948 0.000 4.071) 5.671 3.739 ( -3.285 0.000 3.520) 4.815 3.817 ( -1.313 0.000 7.479) 7.593 3.985 ( -3.739 0.000 -7.733) 8.589 4.241 ( -4.880 0.000 -0.093) 4.881 4.285 ( -4.304 0.000 -4.237) 6.040 4.512 ( 6.285 0.000 8.715) 10.744 4.621 ( -2.227 0.000 6.159) 6.549 4.748 ( 3.485 0.000 -0.734) 3.562 4.919 ( 0.261 0.000 -6.228) 6.234 5.145 ( 1.060 0.000 -3.751) 3.898 5.148 ( 4.126 0.000 -2.089) 4.625 5.329 ( 3.560 0.000 3.664) 5.109 5.401 ( 5.487 0.000 -2.368) 5.976 5.555 ( 8.959 0.000 8.703) 12.490 5.822 ( 8.325 0.000 -16.868) 18.810 6.466 ( 1.020 0.000 1.835) 2.100 6.582 ( 6.100 0.000 -8.946) 10.828 7.484 ( -6.681 0.000 6.842) 9.563 7.537 ( -7.658 0.000 6.975) 10.358 7.583 ( -5.036 0.000 0.938) 5.123 7.642 ( -4.115 0.000 -0.829) 4.198 7.817 ( -3.089 0.000 1.626) 3.491 7.906 ( -1.972 0.000 -1.887) 2.730 7.936 ( 0.381 0.000 -0.632) 0.738 7.968 ( -1.605 0.000 0.808) 1.797 8.199 ( 0.580 0.000 0.533) 0.787 8.294 ( -2.982 0.000 -8.196) 8.722 9.712 ( -3.214 0.000 18.895) 19.166 10.066 ( -4.989 0.000 -14.070) 14.928 13.329 ( 6.772 0.000 44.317) 44.832 14.324 ( 2.731 0.000 -45.014) 45.096 15.916 ( -18.793 0.000 37.024) 41.521 16.734 ( -10.099 0.000 -36.089) 37.475 17.879 ( 10.257 0.000 13.491) 16.947 18.034 ( 9.426 0.000 -2.498) 9.751 18.171 ( 2.298 0.000 8.342) 8.652 18.386 ( -0.144 0.000 -11.705) 11.706 19.050 ( 13.412 0.000 25.185) 28.534 19.548 ( 3.501 0.000 -7.872) 8.615 20.126 ( -18.186 0.000 18.301) 25.800 20.344 ( -7.136 0.000 -13.118) 14.933 20.487 ( -7.605 0.000 4.779) 8.982 20.796 ( -4.078 0.000 -17.099) 17.579 21.977 ( 8.487 0.000 6.005) 10.396 22.029 ( 3.126 0.000 14.967) 15.290 22.195 ( 10.106 0.000 -4.282) 10.975 22.497 ( -2.853 0.000 -14.842) 15.114 22.870 ( 14.900 0.000 -2.541) 15.115 22.974 ( 13.852 0.000 -8.484) 16.244 23.174 ( 12.833 0.000 4.639) 13.646 23.243 ( 8.087 0.000 1.190) 8.174 24.042 ( -1.649 0.000 4.164) 4.478 24.247 ( -8.171 0.000 -13.759) 16.002 24.512 ( 0.257 0.000 -1.333) 1.358 24.585 ( -1.605 0.000 -7.329) 7.502 24.788 ( 9.733 0.000 6.683) 11.806 24.962 ( 17.014 0.000 -13.533) 21.740 26.073 ( -13.968 0.000 34.246) 36.985 26.362 ( -8.810 0.000 2.528) 9.165 26.642 ( 0.430 0.000 12.484) 12.491 26.939 ( -0.581 0.000 6.965) 6.989 27.017 ( -3.549 0.000 -4.814) 5.980 27.178 ( -3.413 0.000 -3.967) 5.233 27.449 ( 7.380 0.000 -18.678) 20.083 27.561 ( 10.415 0.000 -24.393) 26.524 27.901 ( -8.075 0.000 12.036) 14.493 28.163 ( -10.158 0.000 -12.364) 16.002 28.894 ( -0.678 0.000 5.970) 6.009 28.959 ( -1.686 0.000 9.335) 9.486 29.047 ( 1.525 0.000 -0.387) 1.573 29.168 ( -3.933 0.000 -1.309) 4.145 29.326 ( 4.373 0.000 -0.098) 4.374 29.368 ( 2.823 0.000 -0.905) 2.964 29.803 ( -5.393 0.000 7.698) 9.399 29.908 ( 0.932 0.000 -3.701) 3.817 29.980 ( 2.546 0.000 0.567) 2.608 30.123 ( -4.598 0.000 -9.541) 10.591 30.572 ( -4.086 0.000 7.756) 8.766 30.811 ( -0.958 0.000 -13.414) 13.448 31.310 ( -2.246 0.000 11.851) 12.062 31.406 ( -1.967 0.000 6.059) 6.371 31.568 ( 0.381 0.000 -0.659) 0.761 31.690 ( 2.050 0.000 -12.208) 12.379 31.917 ( 0.498 0.000 5.017) 5.041 32.109 ( -0.307 0.000 -10.007) 10.012 32.538 ( -8.447 0.000 8.140) 11.731 32.677 ( -10.785 0.000 -3.456) 11.325 32.718 ( -5.817 0.000 5.880) 8.271 32.821 ( -3.977 0.000 -3.708) 5.437 33.014 ( 9.063 0.000 6.673) 11.255 33.197 ( 7.129 0.000 -8.966) 11.454 33.487 ( -0.814 0.000 12.464) 12.490 33.754 ( -9.686 0.000 -6.565) 11.702 34.053 ( 1.078 0.000 5.743) 5.843 34.236 ( -0.412 0.000 -7.521) 7.532 34.643 ( -0.879 0.000 8.857) 8.900 34.823 ( -6.756 0.000 -7.251) 9.911 35.554 ( -6.945 0.000 12.183) 14.024 35.624 ( -2.264 0.000 5.815) 6.240 35.735 ( -1.209 0.000 6.617) 6.727 35.816 ( -2.382 0.000 -4.025) 4.677 35.895 ( 3.663 0.000 -1.918) 4.135 36.079 ( -0.717 0.000 -14.248) 14.266 36.495 ( -5.573 0.000 2.734) 6.208 36.601 ( -3.151 0.000 -6.716) 7.418 37.215 ( 6.371 0.000 3.247) 7.151 37.278 ( 2.166 0.000 -1.321) 2.537 37.525 ( 6.368 0.000 8.586) 10.690 37.746 ( 1.719 0.000 -11.045) 11.178 38.609 ( 0.317 0.000 2.869) 2.886 38.643 ( -2.515 0.000 0.880) 2.665 38.834 ( 4.307 0.000 1.856) 4.690 38.890 ( 3.522 0.000 -2.464) 4.299 ======================= Grid point 164 (33/45) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 21.412 0.000 18.829) 28.513 2.148 ( 20.774 0.000 21.462) 29.869 2.366 ( 13.140 0.000 -17.212) 21.654 2.534 ( 17.487 0.000 -14.918) 22.986 2.713 ( 19.627 0.000 20.082) 28.081 3.108 ( 0.777 0.000 -14.358) 14.379 3.631 ( -5.715 0.000 4.471) 7.256 3.659 ( -4.322 0.000 2.559) 5.023 3.769 ( -3.682 0.000 2.929) 4.705 3.883 ( -6.556 0.000 -6.499) 9.231 4.130 ( -6.060 0.000 0.281) 6.066 4.179 ( -6.254 0.000 -3.868) 7.353 4.540 ( -4.412 0.000 8.033) 9.165 4.613 ( 2.312 0.000 3.375) 4.091 4.797 ( 1.549 0.000 -3.253) 3.603 4.824 ( -6.101 0.000 -6.945) 9.244 5.255 ( 5.576 0.000 0.206) 5.579 5.287 ( 6.259 0.000 -2.544) 6.756 5.503 ( 15.154 0.000 6.356) 16.433 5.597 ( 15.635 0.000 -0.643) 15.648 5.807 ( 16.483 0.000 5.393) 17.343 6.014 ( 10.463 0.000 -12.001) 15.922 6.516 ( 3.872 0.000 6.777) 7.805 6.724 ( 7.627 0.000 -12.303) 14.475 7.324 ( -11.895 0.000 11.140) 16.297 7.336 ( -8.522 0.000 5.304) 10.038 7.429 ( -10.397 0.000 -1.087) 10.453 7.514 ( -8.663 0.000 -5.477) 10.250 7.711 ( -7.946 0.000 1.962) 8.185 7.803 ( -7.854 0.000 -6.524) 10.210 7.906 ( -2.074 0.000 3.459) 4.033 7.975 ( -0.441 0.000 -1.554) 1.615 8.208 ( -0.585 0.000 -0.537) 0.794 8.234 ( -1.071 0.000 -2.917) 3.108 9.642 ( -3.177 0.000 15.571) 15.892 9.934 ( -7.757 0.000 -11.653) 13.999 13.515 ( 11.514 0.000 43.755) 45.244 14.365 ( 0.040 0.000 -22.542) 22.542 15.592 ( -11.078 0.000 22.776) 25.327 16.440 ( -18.036 0.000 -44.143) 47.686 18.093 ( 8.128 0.000 9.977) 12.869 18.271 ( 9.447 0.000 -4.832) 10.611 18.305 ( 14.457 0.000 6.540) 15.868 18.431 ( 7.459 0.000 -5.815) 9.458 19.336 ( 10.860 0.000 19.022) 21.904 19.530 ( -5.936 0.000 4.924) 7.713 19.817 ( -7.775 0.000 18.044) 19.648 20.302 ( 3.103 0.000 -24.951) 25.143 20.354 ( -7.438 0.000 10.450) 12.827 20.655 ( -9.635 0.000 -13.308) 16.430 21.853 ( -7.932 0.000 16.923) 18.689 22.211 ( -3.815 0.000 -9.435) 10.177 22.338 ( 10.184 0.000 2.777) 10.556 22.583 ( 13.412 0.000 -15.238) 20.300 23.086 ( 8.238 0.000 9.123) 12.292 23.158 ( 5.125 0.000 3.316) 6.104 23.459 ( 13.021 0.000 3.190) 13.406 23.613 ( 21.633 0.000 -13.024) 25.251 24.036 ( 1.322 0.000 0.750) 1.520 24.122 ( -4.519 0.000 -7.618) 8.858 24.470 ( -3.942 0.000 -0.371) 3.959 24.490 ( -5.380 0.000 -1.071) 5.486 25.058 ( 13.722 0.000 7.690) 15.730 25.308 ( 14.653 0.000 -16.138) 21.798 25.882 ( -4.038 0.000 24.586) 24.915 26.171 ( -7.892 0.000 -0.906) 7.944 26.571 ( -5.795 0.000 10.554) 12.041 26.780 ( -8.670 0.000 -8.670) 12.261 26.977 ( -5.319 0.000 12.167) 13.279 27.180 ( 2.707 0.000 -10.886) 11.218 27.569 ( -3.487 0.000 3.148) 4.698 27.778 ( 4.083 0.000 -2.371) 4.722 27.796 ( 11.257 0.000 -13.751) 17.771 27.884 ( -15.693 0.000 -13.978) 21.015 28.830 ( -7.547 0.000 7.468) 10.617 28.875 ( -7.354 0.000 6.298) 9.682 29.020 ( -2.717 0.000 -2.852) 3.939 29.108 ( -2.435 0.000 -3.116) 3.954 29.394 ( 0.938 0.000 3.965) 4.075 29.443 ( 4.909 0.000 0.646) 4.951 29.789 ( 5.638 0.000 6.311) 8.463 29.942 ( 2.218 0.000 -3.201) 3.894 30.019 ( -3.209 0.000 -0.785) 3.303 30.044 ( 2.736 0.000 0.298) 2.753 30.556 ( 3.137 0.000 2.880) 4.259 30.777 ( -2.138 0.000 -13.320) 13.490 31.237 ( -5.444 0.000 7.245) 9.063 31.352 ( -6.416 0.000 -1.848) 6.677 31.502 ( -3.874 0.000 5.229) 6.508 31.681 ( -3.161 0.000 -9.331) 9.852 31.949 ( 1.435 0.000 4.368) 4.598 32.072 ( -5.126 0.000 -5.887) 7.806 32.361 ( -7.810 0.000 1.892) 8.036 32.385 ( -12.902 0.000 1.157) 12.954 32.666 ( -1.310 0.000 3.384) 3.629 32.728 ( -5.756 0.000 -0.974) 5.837 33.176 ( 3.539 0.000 3.503) 4.979 33.256 ( -0.900 0.000 -4.163) 4.259 33.500 ( 2.453 0.000 4.101) 4.779 33.639 ( 0.308 0.000 -6.002) 6.009 34.041 ( -0.151 0.000 11.195) 11.196 34.262 ( 2.781 0.000 -8.124) 8.587 34.614 ( -1.618 0.000 2.894) 3.315 34.679 ( -6.564 0.000 -2.934) 7.190 35.416 ( -7.799 0.000 13.625) 15.699 35.577 ( -4.719 0.000 0.566) 4.753 35.739 ( 0.650 0.000 1.897) 2.006 35.774 ( 2.609 0.000 -0.813) 2.732 35.940 ( 1.032 0.000 -0.076) 1.035 36.089 ( 1.358 0.000 -9.718) 9.812 36.391 ( -4.778 0.000 2.099) 5.219 36.534 ( -3.535 0.000 -9.153) 9.812 37.286 ( 0.489 0.000 3.985) 4.015 37.311 ( 1.510 0.000 0.714) 1.670 37.679 ( 7.770 0.000 2.922) 8.301 37.795 ( 2.974 0.000 -7.294) 7.877 38.600 ( -0.230 0.000 3.944) 3.950 38.631 ( 0.649 0.000 0.742) 0.986 38.939 ( 5.582 0.000 0.412) 5.597 38.973 ( 4.454 0.000 -2.334) 5.028 ======================= Grid point 165 (34/45) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 17.872 0.000 11.403) 21.200 2.494 ( 14.755 0.000 17.878) 23.180 2.597 ( 8.354 0.000 -8.331) 11.798 2.797 ( 5.962 0.000 -9.901) 11.558 3.083 ( 11.737 0.000 4.406) 12.537 3.183 ( 10.872 0.000 -3.276) 11.355 3.523 ( -4.076 0.000 6.216) 7.433 3.592 ( -2.121 0.000 1.941) 2.875 3.665 ( -6.203 0.000 -3.245) 7.000 3.739 ( -7.142 0.000 -6.105) 9.395 4.005 ( -6.184 0.000 0.233) 6.189 4.041 ( -7.133 0.000 -3.245) 7.836 4.478 ( -1.268 0.000 3.478) 3.702 4.575 ( -4.763 0.000 -4.616) 6.633 4.781 ( 1.066 0.000 1.044) 1.492 4.815 ( 0.211 0.000 -1.787) 1.799 5.331 ( 2.709 0.000 0.700) 2.798 5.362 ( 1.719 0.000 -2.038) 2.666 5.827 ( 14.895 0.000 8.677) 17.238 5.956 ( 15.508 0.000 -2.550) 15.716 6.201 ( 20.300 0.000 1.129) 20.331 6.257 ( 16.930 0.000 -3.059) 17.204 6.613 ( 5.836 0.000 10.548) 12.055 6.845 ( 2.451 0.000 -8.857) 9.190 7.073 ( -12.116 0.000 8.766) 14.955 7.167 ( -15.457 0.000 1.431) 15.523 7.207 ( -3.483 0.000 2.242) 4.142 7.331 ( -8.361 0.000 -7.533) 11.254 7.512 ( -11.062 0.000 -1.929) 11.229 7.581 ( -13.596 0.000 -8.362) 15.962 7.880 ( -0.425 0.000 1.806) 1.855 7.932 ( -2.828 0.000 -2.930) 4.072 8.208 ( 1.212 0.000 2.652) 2.916 8.241 ( 0.328 0.000 -0.238) 0.405 9.609 ( 0.266 0.000 8.908) 8.912 9.778 ( -7.388 0.000 -6.753) 10.010 13.772 ( 13.883 0.000 41.616) 43.871 14.282 ( -8.626 0.000 13.459) 15.986 15.526 ( 4.431 0.000 -13.461) 14.172 16.066 ( -18.648 0.000 -44.608) 48.349 18.218 ( 5.721 0.000 5.091) 7.658 18.353 ( 0.789 0.000 -7.471) 7.512 18.614 ( 14.173 0.000 6.999) 15.807 18.716 ( 14.938 0.000 -3.268) 15.291 19.331 ( -5.439 0.000 11.585) 12.798 19.393 ( -5.534 0.000 4.663) 7.237 19.937 ( 12.386 0.000 19.161) 22.815 20.190 ( -7.665 0.000 8.198) 11.224 20.314 ( -5.212 0.000 -4.680) 7.005 20.500 ( -3.382 0.000 -13.920) 14.325 21.735 ( -2.466 0.000 6.756) 7.192 22.008 ( -11.955 0.000 -15.318) 19.431 22.644 ( 16.704 0.000 7.696) 18.391 22.851 ( 12.218 0.000 -11.048) 16.472 23.180 ( -1.338 0.000 4.690) 4.877 23.209 ( 1.680 0.000 3.117) 3.541 23.659 ( 6.459 0.000 8.179) 10.422 23.866 ( 0.841 0.000 -9.982) 10.017 24.046 ( 1.125 0.000 1.350) 1.757 24.117 ( 3.343 0.000 -3.761) 5.032 24.413 ( -0.635 0.000 2.106) 2.199 24.446 ( 1.720 0.000 0.797) 1.896 25.231 ( 3.803 0.000 5.081) 6.346 25.420 ( -3.709 0.000 -10.202) 10.855 25.937 ( 8.833 0.000 15.352) 17.712 26.167 ( 7.757 0.000 -3.636) 8.567 26.421 ( -9.541 0.000 10.649) 14.298 26.626 ( -8.354 0.000 -7.908) 11.503 26.916 ( 2.026 0.000 12.498) 12.661 27.201 ( -2.303 0.000 -12.737) 12.944 27.415 ( -6.050 0.000 2.952) 6.732 27.543 ( -13.650 0.000 -7.904) 15.773 27.987 ( 11.756 0.000 -2.072) 11.937 28.060 ( 13.293 0.000 -9.492) 16.334 28.586 ( -15.117 0.000 7.347) 16.808 28.663 ( -13.526 0.000 0.526) 13.536 28.999 ( 0.526 0.000 -0.256) 0.585 29.062 ( -2.115 0.000 -2.703) 3.432 29.406 ( 0.543 0.000 1.299) 1.408 29.486 ( -0.941 0.000 -3.702) 3.820 29.941 ( 5.233 0.000 -0.208) 5.237 29.991 ( 2.006 0.000 -1.022) 2.251 30.049 ( 8.698 0.000 8.092) 11.880 30.143 ( 7.709 0.000 2.700) 8.168 30.655 ( 4.354 0.000 -0.555) 4.389 30.769 ( 2.676 0.000 -7.912) 8.352 31.021 ( -18.451 0.000 3.621) 18.803 31.093 ( -12.211 0.000 0.012) 12.211 31.554 ( 3.496 0.000 1.967) 4.011 31.625 ( 1.021 0.000 -5.083) 5.184 31.881 ( -8.593 0.000 2.556) 8.965 31.962 ( -3.376 0.000 -4.592) 5.700 32.194 ( -5.257 0.000 1.883) 5.584 32.272 ( -2.906 0.000 -6.165) 6.816 32.575 ( -6.377 0.000 4.890) 8.036 32.647 ( -3.785 0.000 -2.541) 4.559 33.200 ( 1.780 0.000 1.683) 2.450 33.249 ( 1.797 0.000 -2.479) 3.062 33.547 ( 0.535 0.000 2.850) 2.899 33.650 ( -2.179 0.000 -6.083) 6.462 34.129 ( 9.408 0.000 13.188) 16.200 34.348 ( 5.189 0.000 -6.193) 8.079 34.569 ( -4.466 0.000 -0.192) 4.470 34.589 ( -1.533 0.000 -0.846) 1.751 35.268 ( -5.619 0.000 11.043) 12.390 35.405 ( -10.128 0.000 -1.291) 10.210 35.833 ( 4.241 0.000 -1.356) 4.453 35.838 ( 4.128 0.000 -0.976) 4.242 35.955 ( 1.640 0.000 4.992) 5.254 36.116 ( 0.235 0.000 -3.629) 3.636 36.318 ( -1.596 0.000 -2.439) 2.915 36.455 ( -4.562 0.000 -10.260) 11.228 37.286 ( 0.037 0.000 4.259) 4.259 37.315 ( -0.833 0.000 1.221) 1.478 37.806 ( 4.746 0.000 0.343) 4.758 37.849 ( 2.032 0.000 -3.564) 4.103 38.614 ( 1.306 0.000 3.082) 3.348 38.643 ( 0.319 0.000 0.337) 0.464 39.035 ( 3.717 0.000 -0.323) 3.731 39.050 ( 2.881 0.000 -1.548) 3.271 ======================= Grid point 166 (35/45) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -6.095 0.000 3.533) 7.045 2.626 ( 6.095 0.000 3.533) 7.045 2.743 ( -9.211 0.000 4.918) 10.442 2.743 ( 9.211 0.000 4.918) 10.442 3.261 ( -6.756 0.000 -0.277) 6.762 3.261 ( 6.756 0.000 -0.277) 6.762 3.564 ( -3.137 0.000 -1.654) 3.546 3.564 ( 3.137 0.000 -1.654) 3.546 3.601 ( -4.631 0.000 -1.287) 4.807 3.601 ( 4.631 0.000 -1.287) 4.807 3.939 ( -1.438 0.000 -2.205) 2.632 3.939 ( 1.438 0.000 -2.205) 2.632 4.494 ( -2.706 0.000 -1.582) 3.134 4.494 ( 2.706 0.000 -1.582) 3.134 4.807 ( -0.991 0.000 0.057) 0.993 4.807 ( 0.991 0.000 0.057) 0.993 5.368 ( -0.909 0.000 -0.476) 1.026 5.368 ( 0.909 0.000 -0.476) 1.026 6.046 ( -5.460 0.000 2.932) 6.198 6.046 ( 5.460 0.000 2.932) 6.198 6.520 ( -4.362 0.000 1.562) 4.633 6.520 ( 4.362 0.000 1.562) 4.633 6.777 ( -12.763 0.000 6.508) 14.327 6.777 ( 12.763 0.000 6.508) 14.327 6.893 ( -9.219 0.000 3.363) 9.813 6.893 ( 9.219 0.000 3.363) 9.813 7.234 ( -3.234 0.000 -5.222) 6.142 7.234 ( 3.234 0.000 -5.222) 6.142 7.376 ( -2.603 0.000 -8.597) 8.983 7.376 ( 2.603 0.000 -8.597) 8.983 7.889 ( -1.308 0.000 -0.359) 1.356 7.889 ( 1.308 0.000 -0.359) 1.356 8.234 ( -1.010 0.000 1.717) 1.992 8.234 ( 1.010 0.000 1.717) 1.992 9.657 ( -4.467 0.000 0.598) 4.506 9.657 ( 4.467 0.000 0.598) 4.506 14.050 ( -13.591 0.000 34.603) 37.176 14.050 ( 13.591 0.000 34.603) 37.176 15.728 ( -14.547 0.000 -36.753) 39.527 15.728 ( 14.547 0.000 -36.753) 39.527 18.321 ( -3.947 0.000 -0.674) 4.005 18.321 ( 3.947 0.000 -0.674) 4.005 18.817 ( -4.959 0.000 0.164) 4.962 18.817 ( 4.959 0.000 0.164) 4.962 19.321 ( -3.047 0.000 7.875) 8.444 19.321 ( 3.047 0.000 7.875) 8.444 20.054 ( -4.636 0.000 4.906) 6.750 20.054 ( 4.636 0.000 4.906) 6.750 20.381 ( -9.727 0.000 4.717) 10.810 20.381 ( 9.727 0.000 4.717) 10.810 21.795 ( -8.146 0.000 -8.585) 11.835 21.795 ( 8.146 0.000 -8.585) 11.835 22.928 ( -8.860 0.000 3.614) 9.568 22.928 ( 8.860 0.000 3.614) 9.568 23.169 ( -4.414 0.000 -3.226) 5.467 23.169 ( 4.414 0.000 -3.226) 5.467 23.770 ( -6.036 0.000 5.616) 8.245 23.770 ( 6.036 0.000 5.616) 8.245 24.112 ( -3.417 0.000 -5.639) 6.593 24.112 ( 3.417 0.000 -5.639) 6.593 24.458 ( -2.448 0.000 4.716) 5.313 24.458 ( 2.448 0.000 4.716) 5.313 25.301 ( -5.218 0.000 -3.460) 6.261 25.301 ( 5.218 0.000 -3.460) 6.261 26.159 ( -12.012 0.000 12.672) 17.460 26.159 ( 12.012 0.000 12.672) 17.460 26.420 ( -11.602 0.000 -5.547) 12.860 26.420 ( 11.602 0.000 -5.547) 12.860 27.057 ( -9.902 0.000 0.014) 9.902 27.057 ( 9.902 0.000 0.014) 9.902 27.388 ( -2.871 0.000 -3.356) 4.417 27.388 ( 2.871 0.000 -3.356) 4.417 28.221 ( -8.094 0.000 -1.427) 8.218 28.221 ( 8.094 0.000 -1.427) 8.218 28.397 ( -8.262 0.000 -0.008) 8.262 28.397 ( 8.262 0.000 -0.008) 8.262 29.024 ( -1.707 0.000 -1.442) 2.235 29.024 ( 1.707 0.000 -1.442) 2.235 29.437 ( -2.664 0.000 -2.334) 3.542 29.437 ( 2.664 0.000 -2.334) 3.542 29.996 ( -1.256 0.000 1.230) 1.758 29.996 ( 1.256 0.000 1.230) 1.758 30.238 ( -4.492 0.000 2.965) 5.382 30.238 ( 4.492 0.000 2.965) 5.382 30.721 ( -6.642 0.000 6.339) 9.182 30.721 ( 6.642 0.000 6.339) 9.182 30.884 ( -7.056 0.000 -8.336) 10.921 30.884 ( 7.056 0.000 -8.336) 10.921 31.613 ( -4.519 0.000 3.021) 5.436 31.613 ( 4.519 0.000 3.021) 5.436 31.856 ( -6.242 0.000 -5.521) 8.333 31.856 ( 6.242 0.000 -5.521) 8.333 32.193 ( -4.184 0.000 0.064) 4.185 32.193 ( 4.184 0.000 0.064) 4.185 32.550 ( -3.953 0.000 -2.211) 4.529 32.550 ( 3.953 0.000 -2.211) 4.529 33.261 ( -2.471 0.000 2.347) 3.408 33.261 ( 2.471 0.000 2.347) 3.408 33.571 ( -3.647 0.000 -2.836) 4.620 33.571 ( 3.647 0.000 -2.836) 4.620 34.336 ( -8.423 0.000 7.255) 11.117 34.336 ( 8.423 0.000 7.255) 11.117 34.545 ( -2.715 0.000 -4.172) 4.978 34.545 ( 2.715 0.000 -4.172) 4.978 35.248 ( -4.143 0.000 4.630) 6.213 35.248 ( 4.143 0.000 4.630) 6.213 35.872 ( -0.960 0.000 -4.027) 4.140 35.872 ( 0.960 0.000 -4.027) 4.140 36.051 ( -6.043 0.000 6.640) 8.978 36.051 ( 6.043 0.000 6.640) 8.978 36.358 ( -4.624 0.000 -9.818) 10.852 36.358 ( 4.624 0.000 -9.818) 10.852 37.295 ( -0.870 0.000 2.831) 2.961 37.295 ( 0.870 0.000 2.831) 2.961 37.863 ( -0.941 0.000 -1.310) 1.613 37.863 ( 0.941 0.000 -1.310) 1.613 38.638 ( -0.826 0.000 1.398) 1.624 38.638 ( 0.826 0.000 1.398) 1.624 39.076 ( -0.347 0.000 -0.892) 0.957 39.076 ( 0.347 0.000 -0.892) 0.957 ======================= Grid point 172 (36/45) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 13.690 13.690 23.140) 30.171 1.884 ( 16.535 16.535 22.655) 32.559 2.204 ( 8.037 8.037 -20.979) 23.860 2.334 ( 12.717 12.717 -19.350) 26.417 2.517 ( 9.364 9.364 32.427) 35.027 3.100 ( 0.223 0.223 -20.965) 20.967 3.697 ( -3.220 -3.220 4.267) 6.241 3.710 ( -2.744 -2.744 3.326) 5.111 3.799 ( -1.737 -1.737 6.521) 6.968 3.954 ( -2.839 -2.839 -7.626) 8.619 4.195 ( -3.984 -3.984 0.154) 5.636 4.243 ( -3.663 -3.663 -4.055) 6.579 4.599 ( 4.068 4.068 9.278) 10.917 4.615 ( 1.810 1.810 7.713) 8.127 4.836 ( 5.348 5.348 -3.790) 8.460 4.930 ( 0.116 0.116 -8.408) 8.410 5.137 ( 2.144 2.144 -0.578) 3.087 5.169 ( 3.432 3.432 -2.189) 5.325 5.346 ( 2.550 2.550 3.412) 4.964 5.421 ( 2.996 2.996 -2.708) 5.029 5.643 ( 8.015 8.015 8.039) 13.896 5.887 ( 5.884 5.884 -15.026) 17.176 6.486 ( 2.266 2.266 3.978) 5.108 6.641 ( 5.258 5.258 -10.071) 12.518 7.363 ( -8.467 -8.467 7.860) 14.323 7.497 ( -6.869 -6.869 -3.372) 10.283 7.571 ( -2.021 -2.021 5.992) 6.639 7.618 ( -2.401 -2.401 1.445) 3.691 7.797 ( -2.053 -2.053 2.665) 3.941 7.893 ( -3.372 -3.372 2.131) 5.223 7.924 ( -1.094 -1.094 -3.694) 4.005 7.938 ( -1.011 -1.011 -0.968) 1.727 8.198 ( -0.007 -0.007 0.271) 0.272 8.275 ( -1.966 -1.966 -7.394) 7.899 9.670 ( -3.912 -3.912 18.211) 19.033 10.009 ( -5.412 -5.412 -13.505) 15.523 13.393 ( 6.255 6.255 44.314) 45.189 14.353 ( 2.503 2.503 -39.026) 39.186 15.751 ( -13.556 -13.556 36.014) 40.798 16.630 ( -10.384 -10.384 -40.703) 43.271 17.982 ( 9.469 9.469 12.877) 18.578 18.137 ( 9.533 9.533 -2.484) 13.708 18.188 ( 2.518 2.518 8.194) 8.935 18.389 ( 0.583 0.583 -10.858) 10.890 19.152 ( 9.367 9.367 23.472) 26.952 19.552 ( -0.547 -0.547 -2.274) 2.402 19.973 ( -12.164 -12.164 16.473) 23.818 20.303 ( -2.466 -2.466 -21.274) 21.558 20.432 ( -4.076 -4.076 9.829) 11.395 20.755 ( -4.485 -4.485 -15.581) 16.823 21.939 ( -7.583 -7.583 20.613) 23.236 22.111 ( 9.522 9.522 10.348) 16.983 22.359 ( 14.077 14.077 -10.027) 22.291 22.433 ( -6.005 -6.005 -18.881) 20.703 22.968 ( 6.825 6.825 3.127) 10.146 23.126 ( 9.832 9.832 -1.837) 14.025 23.231 ( 10.967 10.967 -4.445) 16.135 23.334 ( 8.283 8.283 -3.768) 12.305 24.048 ( 0.957 0.957 3.105) 3.387 24.186 ( -3.700 -3.700 -9.765) 11.079 24.548 ( 0.727 0.727 -2.035) 2.280 24.596 ( -1.579 -1.579 -4.095) 4.664 24.858 ( 8.998 8.998 9.308) 15.766 25.115 ( 14.155 14.155 -17.527) 26.607 25.928 ( -10.384 -10.384 31.593) 34.839 26.295 ( -7.532 -7.532 -1.727) 10.792 26.609 ( -3.841 -3.841 11.162) 12.414 26.843 ( -8.695 -8.695 -7.124) 14.211 27.080 ( 5.951 5.951 10.790) 13.684 27.214 ( 1.069 1.069 0.314) 1.545 27.495 ( 4.688 4.688 -15.568) 16.921 27.605 ( 4.267 4.267 -21.546) 22.375 27.868 ( -2.672 -2.672 7.324) 8.241 28.091 ( -7.201 -7.201 -11.883) 15.650 28.807 ( -5.517 -5.517 9.448) 12.253 28.974 ( -2.969 -2.969 -1.821) 4.577 29.083 ( 5.203 5.203 4.751) 8.759 29.189 ( 0.385 0.385 3.268) 3.313 29.325 ( 0.281 0.281 0.407) 0.568 29.373 ( 0.336 0.336 -1.306) 1.389 29.763 ( -3.897 -3.897 4.297) 6.989 29.875 ( -1.329 -1.329 -6.920) 7.171 29.973 ( 0.133 0.133 2.946) 2.952 30.112 ( -1.285 -1.285 -7.189) 7.415 30.589 ( 1.615 1.615 7.140) 7.496 30.799 ( -1.496 -1.496 -11.411) 11.605 31.225 ( -5.371 -5.371 11.778) 14.014 31.402 ( -3.664 -3.664 1.199) 5.319 31.580 ( 1.261 1.261 0.217) 1.796 31.661 ( -2.770 -2.770 -8.304) 9.182 31.945 ( 1.906 1.906 1.752) 3.215 32.088 ( -0.801 -0.801 -8.888) 8.960 32.460 ( -7.988 -7.988 5.936) 12.762 32.526 ( -12.731 -12.731 0.703) 18.018 32.708 ( 0.122 0.122 5.307) 5.310 32.863 ( 2.066 2.066 -7.891) 8.415 33.081 ( 6.101 6.101 10.554) 13.632 33.287 ( 6.391 6.391 -8.653) 12.512 33.471 ( -1.264 -1.264 9.044) 9.219 33.661 ( -6.889 -6.889 -3.665) 10.408 34.056 ( -0.999 -0.999 5.330) 5.514 34.210 ( -1.316 -1.316 -6.469) 6.732 34.653 ( 0.340 0.340 6.893) 6.910 34.798 ( -2.414 -2.414 -5.813) 6.741 35.513 ( -2.844 -2.844 10.347) 11.101 35.607 ( -2.247 -2.247 3.382) 4.641 35.624 ( -5.281 -5.281 7.192) 10.368 35.768 ( -5.157 -5.157 -5.951) 9.413 35.959 ( 3.904 3.904 0.588) 5.553 36.106 ( 2.093 2.093 -11.447) 11.823 36.464 ( -2.944 -2.944 3.151) 5.221 36.599 ( -0.812 -0.812 -8.610) 8.686 37.247 ( 2.430 2.430 4.086) 5.339 37.309 ( 1.892 1.892 0.209) 2.684 37.556 ( 3.477 3.477 6.059) 7.803 37.750 ( 0.561 0.561 -10.344) 10.375 38.615 ( 0.424 0.424 2.723) 2.788 38.634 ( -0.454 -0.454 2.048) 2.147 38.860 ( 3.002 3.002 1.968) 4.680 38.928 ( 3.244 3.244 -3.453) 5.742 ======================= Grid point 173 (37/45) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 19.483 9.649 16.492) 27.289 2.234 ( 16.793 7.912 21.787) 28.623 2.421 ( 12.737 5.765 -15.384) 20.788 2.619 ( 14.234 7.657 -14.099) 21.448 2.795 ( 17.387 7.777 14.919) 24.194 3.105 ( 0.345 -0.341 -12.117) 12.127 3.611 ( -5.303 -1.959 4.581) 7.276 3.641 ( -3.835 -1.652 2.309) 4.771 3.749 ( -3.330 -1.494 4.063) 5.462 3.879 ( -4.413 -1.114 -7.044) 8.386 4.099 ( -5.404 -2.642 0.962) 6.092 4.153 ( -5.303 -2.171 -3.667) 6.803 4.560 ( -3.174 1.444 8.476) 9.165 4.703 ( 0.147 6.599 -0.350) 6.610 4.856 ( -1.483 4.628 -2.087) 5.289 4.918 ( 0.727 8.861 -4.927) 10.164 5.258 ( 5.294 2.048 0.808) 5.733 5.282 ( 5.543 0.932 -1.429) 5.800 5.503 ( 14.633 0.393 4.643) 15.357 5.590 ( 15.536 -0.413 -2.199) 15.697 5.857 ( 13.879 4.667 4.826) 15.418 6.035 ( 8.691 2.274 -10.941) 14.157 6.558 ( 4.786 4.058 7.750) 9.972 6.758 ( 5.435 2.508 -9.874) 11.547 7.185 ( -8.614 -6.979 5.764) 12.495 7.321 ( -10.338 -7.844 -5.000) 13.907 7.447 ( -9.096 3.348 6.987) 11.949 7.535 ( -7.282 0.243 -1.345) 7.409 7.695 ( -7.652 -1.139 4.691) 9.047 7.835 ( -5.964 1.134 -6.779) 9.100 7.847 ( -2.159 -4.988 3.659) 6.552 7.937 ( -0.924 -2.997 -3.510) 4.707 8.201 ( 0.018 -0.652 -0.153) 0.670 8.231 ( -1.332 -0.316 -3.395) 3.661 9.581 ( -4.241 -5.772 15.255) 16.853 9.867 ( -8.415 -6.519 -11.414) 15.607 13.567 ( 10.806 5.046 43.969) 45.557 14.388 ( -0.269 1.984 -16.715) 16.834 15.507 ( -8.459 -7.404 17.454) 20.761 16.348 ( -16.890 -8.808 -45.755) 49.562 18.150 ( 4.904 4.630 8.682) 10.994 18.298 ( 8.295 2.556 1.033) 8.742 18.379 ( 10.580 5.840 0.144) 12.085 18.471 ( 12.439 5.744 -2.907) 14.007 19.334 ( 4.669 -0.788 15.922) 16.611 19.494 ( -4.811 -2.985 3.320) 6.563 19.797 ( -1.070 -0.511 19.962) 19.997 20.303 ( -1.012 -1.004 -5.149) 5.343 20.340 ( -2.554 -0.157 -8.794) 9.159 20.614 ( -9.105 -4.140 -13.261) 16.610 21.755 ( -9.610 -9.172 17.544) 22.006 22.180 ( -9.825 -3.553 -15.582) 18.760 22.401 ( 11.439 3.117 8.652) 14.678 22.673 ( 15.100 11.404 -10.976) 21.876 23.116 ( 7.013 1.207 11.848) 13.821 23.222 ( 3.618 7.708 3.770) 9.312 23.513 ( 10.962 4.087 -3.887) 12.328 23.602 ( 16.698 0.547 -15.536) 22.814 24.072 ( 0.820 3.165 2.091) 3.881 24.165 ( 2.016 4.747 -5.604) 7.616 24.493 ( -5.429 0.852 0.330) 5.505 24.519 ( -4.188 1.114 -1.840) 4.707 25.112 ( 12.757 6.425 11.538) 18.362 25.405 ( 10.857 8.219 -14.494) 19.888 25.785 ( -1.451 -7.247 21.941) 23.152 26.112 ( -8.150 -6.557 -5.230) 11.695 26.505 ( -6.093 -5.389 8.492) 11.759 26.665 ( -8.405 -8.125 -6.422) 13.338 27.105 ( -3.458 8.260 11.926) 14.914 27.253 ( 3.082 6.462 -4.830) 8.636 27.551 ( -3.517 -2.175 -0.155) 4.138 27.679 ( 0.878 -6.011 -10.143) 11.823 27.853 ( -0.085 3.613 -3.928) 5.338 27.953 ( 1.089 5.434 -13.480) 14.575 28.693 ( -6.315 -7.729 10.521) 14.502 28.890 ( -6.506 -2.290 -4.622) 8.303 29.113 ( -1.835 6.490 1.961) 7.024 29.149 ( -4.663 3.582 2.780) 6.505 29.342 ( 0.954 -5.102 4.020) 6.565 29.421 ( 4.955 -1.691 -0.977) 5.326 29.725 ( 2.637 -4.004 2.741) 5.523 29.893 ( 2.059 -4.770 -7.438) 9.073 29.997 ( 2.320 0.661 2.225) 3.282 30.088 ( -0.335 1.253 -3.332) 3.576 30.623 ( 1.269 5.253 4.905) 7.298 30.743 ( -3.317 -4.328 -3.794) 6.643 31.130 ( -5.015 -7.431 6.309) 10.962 31.290 ( -8.015 -5.324 -4.896) 10.796 31.545 ( -3.553 0.881 -0.189) 3.665 31.595 ( -3.278 -6.110 -5.638) 8.936 31.961 ( -1.711 -0.203 2.519) 3.052 32.056 ( -3.764 -1.256 -5.286) 6.610 32.262 ( -9.382 -8.711 4.039) 13.425 32.343 ( -4.326 -2.031 -3.669) 6.025 32.697 ( -1.252 2.783 5.849) 6.597 32.829 ( -4.984 8.080 -4.490) 10.502 33.192 ( 2.851 1.060 6.821) 7.469 33.327 ( -3.688 3.399 -3.247) 5.975 33.476 ( 3.133 -1.068 5.552) 6.463 33.621 ( 3.948 -0.026 -5.830) 7.041 34.029 ( 0.097 -1.284 8.760) 8.854 34.220 ( 2.536 -3.134 -7.754) 8.739 34.632 ( -2.392 1.327 5.203) 5.878 34.739 ( -3.229 4.507 -4.451) 7.110 35.408 ( -7.183 0.175 10.497) 12.721 35.555 ( -5.209 -2.314 0.434) 5.716 35.623 ( 2.887 -8.513 0.141) 8.990 35.678 ( 0.914 -5.772 -1.979) 6.170 36.016 ( 1.736 4.057 2.038) 4.861 36.141 ( 0.956 3.263 -7.099) 7.871 36.395 ( -3.397 0.159 2.811) 4.412 36.559 ( -3.083 1.554 -10.218) 10.786 37.274 ( 0.185 -0.780 5.436) 5.495 37.327 ( -0.117 0.932 1.349) 1.644 37.657 ( 5.804 -1.687 1.859) 6.324 37.773 ( 1.641 -1.951 -7.744) 8.153 38.622 ( 0.773 1.980 3.740) 4.302 38.644 ( 1.202 1.433 1.455) 2.370 38.944 ( 4.854 0.982 1.114) 5.076 39.001 ( 3.764 2.294 -3.598) 5.690 ======================= Grid point 174 (38/45) ======================= q-point: ( 0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 16.075 5.708 11.083) 20.343 2.538 ( 14.090 4.667 14.874) 21.013 2.653 ( 8.531 5.502 -6.458) 12.031 2.827 ( 4.143 2.920 -9.113) 10.428 3.086 ( 8.116 0.013 3.462) 8.824 3.173 ( 9.807 -0.497 -4.069) 10.630 3.487 ( -7.375 -2.350 4.571) 8.989 3.553 ( -6.110 -2.786 -1.269) 6.834 3.694 ( 0.325 3.302 3.628) 4.917 3.815 ( -0.837 2.874 -6.204) 6.888 3.983 ( -6.344 -1.447 1.234) 6.623 4.031 ( -6.856 -0.567 -3.193) 7.584 4.511 ( -1.175 2.909 3.888) 4.996 4.615 ( -5.867 3.522 -5.065) 8.514 4.884 ( 2.480 9.373 1.845) 9.870 4.929 ( 0.151 9.673 -2.393) 9.966 5.325 ( 2.299 0.979 1.052) 2.711 5.348 ( 1.609 -0.123 -1.106) 1.956 5.822 ( 14.425 -0.118 6.815) 15.954 5.949 ( 15.215 -0.698 -3.870) 15.715 6.202 ( 18.370 0.440 1.741) 18.457 6.262 ( 17.247 0.638 -3.254) 17.563 6.656 ( 4.334 3.420 8.916) 10.486 6.801 ( -1.452 -5.010 -2.694) 5.871 7.043 ( -8.217 -1.090 -0.460) 8.302 7.101 ( -11.177 -5.197 -2.802) 12.640 7.262 ( -7.416 2.944 5.527) 9.706 7.339 ( -9.567 1.581 -1.899) 9.881 7.537 ( -7.789 2.113 0.788) 8.109 7.647 ( -11.024 4.897 -7.330) 14.115 7.831 ( -0.138 -4.785 0.578) 4.821 7.893 ( -2.887 -3.254 -4.507) 6.263 8.204 ( 0.953 -0.223 2.102) 2.319 8.232 ( 0.356 -0.604 -0.202) 0.730 9.529 ( -0.440 -7.740 8.775) 11.709 9.698 ( -7.937 -7.810 -6.864) 13.081 13.809 ( 13.212 3.669 42.314) 44.480 14.301 ( -8.593 1.755 17.573) 19.640 15.472 ( 5.116 -4.843 -17.903) 19.239 15.997 ( -17.607 -6.560 -45.857) 49.558 18.234 ( 4.400 1.478 5.836) 7.457 18.358 ( -0.011 0.391 -5.063) 5.078 18.633 ( 12.444 1.903 8.277) 15.065 18.775 ( 12.208 5.213 -5.824) 14.496 19.306 ( -1.826 -1.562 12.376) 12.607 19.412 ( -2.302 1.729 2.039) 3.528 19.956 ( 10.468 1.966 18.869) 21.668 20.177 ( -6.029 -1.407 8.385) 10.423 20.289 ( -7.596 -2.403 -4.491) 9.146 20.491 ( -2.281 -0.676 -13.696) 13.901 21.614 ( -2.833 -11.058 5.108) 12.505 21.927 ( -13.603 -7.935 -19.529) 25.087 22.686 ( 15.104 3.174 14.256) 21.011 22.939 ( 10.287 9.394 -4.207) 14.552 23.188 ( 0.635 0.086 4.935) 4.977 23.294 ( 2.463 8.861 0.237) 9.200 23.698 ( 7.214 2.551 1.131) 7.735 23.817 ( 3.905 -2.278 -10.905) 11.805 24.089 ( 0.594 3.797 3.278) 5.052 24.169 ( -2.946 3.938 -3.341) 5.946 24.459 ( 1.548 3.801 1.424) 4.344 24.483 ( 3.638 3.285 0.916) 4.987 25.238 ( 0.395 0.617 8.877) 8.907 25.424 ( -6.994 -0.682 -4.008) 8.090 25.915 ( 11.403 -1.546 7.905) 13.961 26.097 ( 7.390 -6.026 -5.412) 10.964 26.363 ( -8.654 -4.043 6.952) 11.814 26.516 ( -7.496 -8.262 -6.079) 12.705 27.046 ( -0.361 9.587 10.434) 14.174 27.261 ( -4.473 4.228 -7.914) 10.026 27.446 ( -3.677 2.861 2.386) 5.234 27.532 ( -7.577 -0.263 -5.828) 9.563 27.981 ( 10.288 0.366 0.413) 10.303 28.119 ( 11.025 5.381 -11.244) 16.642 28.521 ( -11.211 -3.732 9.482) 15.150 28.688 ( -13.136 1.017 -3.783) 13.708 29.068 ( -1.335 3.977 -0.741) 4.260 29.082 ( -1.562 1.798 -0.205) 2.391 29.372 ( 2.113 -3.642 3.146) 5.256 29.473 ( -0.629 -0.991 -4.309) 4.466 29.859 ( 7.913 -8.436 6.033) 13.045 29.956 ( 3.692 0.130 -1.962) 4.183 30.052 ( 3.541 -0.208 2.216) 4.183 30.121 ( 4.085 -3.907 -4.201) 7.043 30.615 ( -1.514 -5.251 7.317) 9.133 30.731 ( 2.308 -2.742 -3.609) 5.086 30.972 ( -11.373 -4.517 0.148) 12.238 31.047 ( -14.004 -3.253 -5.077) 15.247 31.524 ( 1.487 -4.491 0.753) 4.790 31.603 ( 5.359 -0.485 -6.378) 8.344 31.848 ( -8.546 -3.259 3.025) 9.634 31.943 ( -7.488 -2.565 -5.453) 9.612 32.162 ( -0.544 -0.279 4.298) 4.341 32.287 ( -2.884 1.590 -6.866) 7.615 32.650 ( -3.236 5.235 5.058) 7.966 32.722 ( -4.778 7.460 -1.981) 9.078 33.216 ( 0.762 1.540 3.329) 3.746 33.266 ( -0.152 0.496 0.554) 0.759 33.548 ( 2.446 0.593 2.810) 3.772 33.674 ( -0.817 2.134 -7.518) 7.857 34.114 ( 8.565 -1.248 10.901) 13.919 34.309 ( 5.287 -3.406 -6.130) 8.783 34.573 ( -3.022 1.064 3.706) 4.899 34.673 ( -3.688 5.701 -4.557) 8.178 35.276 ( -4.766 1.608 8.696) 10.046 35.389 ( -8.921 -1.128 -1.396) 9.100 35.719 ( 5.608 -6.396 1.104) 8.578 35.765 ( 4.499 -5.982 -3.246) 8.159 36.037 ( 0.878 4.064 4.047) 5.802 36.130 ( -2.111 0.828 -0.057) 2.268 36.356 ( 0.052 2.758 -2.738) 3.886 36.483 ( -4.337 2.081 -10.248) 11.321 37.271 ( -0.061 -1.383 5.141) 5.324 37.308 ( -1.503 -0.612 1.843) 2.456 37.759 ( 4.010 -4.346 -0.588) 5.943 37.805 ( 1.216 -4.076 -4.542) 6.222 38.648 ( 1.532 3.105 3.227) 4.733 38.667 ( 0.839 2.412 1.315) 2.873 39.032 ( 3.613 -0.034 -0.086) 3.614 39.063 ( 2.127 0.990 -2.677) 3.559 ======================= Grid point 175 (39/45) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -6.664 4.461 4.778) 9.335 2.676 ( 6.664 4.461 4.778) 9.335 2.771 ( -7.973 2.953 2.537) 8.873 2.771 ( 7.973 2.953 2.537) 8.873 3.256 ( -7.907 -0.721 1.175) 8.026 3.256 ( 7.907 -0.721 1.175) 8.026 3.410 ( -5.994 -5.712 -3.093) 8.839 3.410 ( 5.994 -5.712 -3.093) 8.839 3.790 ( -6.180 8.534 0.920) 10.577 3.790 ( 6.180 8.534 0.920) 10.577 3.910 ( -3.364 -2.356 -2.802) 4.972 3.910 ( 3.364 -2.356 -2.802) 4.972 4.526 ( -2.751 3.103 -1.083) 4.286 4.526 ( 2.751 3.103 -1.083) 4.286 4.920 ( -1.107 9.919 -0.407) 9.989 4.920 ( 1.107 9.919 -0.407) 9.989 5.356 ( -0.714 0.097 0.159) 0.738 5.356 ( 0.714 0.097 0.159) 0.738 6.033 ( -5.405 -0.874 2.166) 5.888 6.033 ( 5.405 -0.874 2.166) 5.888 6.523 ( -6.473 -0.187 1.176) 6.582 6.523 ( 6.473 -0.187 1.176) 6.582 6.751 ( -14.125 -1.784 4.900) 15.057 6.751 ( 14.125 -1.784 4.900) 15.057 6.868 ( -11.559 -3.213 -2.333) 12.221 6.868 ( 11.559 -3.213 -2.333) 12.221 7.227 ( -3.564 1.560 2.512) 4.631 7.227 ( 3.564 1.560 2.512) 4.631 7.476 ( -4.204 7.214 -7.271) 11.071 7.476 ( 4.204 7.214 -7.271) 11.071 7.846 ( -1.629 -4.084 -2.041) 4.848 7.846 ( 1.629 -4.084 -2.041) 4.848 8.227 ( -0.913 -0.428 1.711) 1.986 8.227 ( 0.913 -0.428 1.711) 1.986 9.571 ( -4.495 -8.471 0.387) 9.597 9.571 ( 4.495 -8.471 0.387) 9.597 14.076 ( -13.108 2.443 36.402) 38.767 14.076 ( 13.108 2.443 36.402) 38.767 15.675 ( -14.091 -4.968 -38.950) 41.717 15.675 ( 14.091 -4.968 -38.950) 41.717 18.320 ( -3.631 -0.005 1.663) 3.994 18.320 ( 3.631 -0.005 1.663) 3.994 18.820 ( -5.785 0.152 -0.566) 5.815 18.820 ( 5.785 0.152 -0.566) 5.815 19.370 ( -4.366 4.678 7.188) 9.624 19.370 ( 4.366 4.678 7.188) 9.624 20.041 ( -4.966 -1.303 3.431) 6.175 20.041 ( 4.966 -1.303 3.431) 6.175 20.367 ( -10.441 -1.087 6.267) 12.226 20.367 ( 10.441 -1.087 6.267) 12.226 21.685 ( -9.351 -10.209 -12.568) 18.698 21.685 ( 9.351 -10.209 -12.568) 18.698 22.946 ( -9.300 2.093 13.620) 16.624 22.946 ( 9.300 2.093 13.620) 16.624 23.260 ( -5.670 8.254 -8.462) 13.110 23.260 ( 5.670 8.254 -8.462) 13.110 23.802 ( -3.619 2.764 1.413) 4.768 23.802 ( 3.619 2.764 1.413) 4.768 24.108 ( -2.449 -0.101 -3.002) 3.876 24.108 ( 2.449 -0.101 -3.002) 3.876 24.526 ( -2.393 6.156 4.710) 8.112 24.526 ( 2.393 6.156 4.710) 8.112 25.270 ( -5.548 -3.509 -0.265) 6.569 25.270 ( 5.548 -3.509 -0.265) 6.569 26.145 ( -11.101 -0.856 6.902) 13.100 26.145 ( 11.101 -0.856 6.902) 13.100 26.325 ( -11.314 -7.808 -5.873) 14.948 26.325 ( 11.314 -7.808 -5.873) 14.948 27.116 ( -6.797 4.703 2.313) 8.583 27.116 ( 6.797 4.703 2.313) 8.583 27.446 ( -2.413 5.290 -2.359) 6.275 27.446 ( 2.413 5.290 -2.359) 6.275 28.204 ( -10.031 -0.325 1.461) 10.142 28.204 ( 10.031 -0.325 1.461) 10.142 28.426 ( -10.393 2.420 -2.815) 11.036 28.426 ( 10.393 2.420 -2.815) 11.037 29.065 ( -0.486 2.522 -1.229) 2.847 29.065 ( 0.486 2.522 -1.229) 2.847 29.425 ( -3.109 -1.619 -1.092) 3.672 29.425 ( 3.109 -1.619 -1.092) 3.672 29.962 ( -2.496 -3.361 3.241) 5.295 29.962 ( 2.496 -3.361 3.241) 5.295 30.158 ( -4.375 -6.664 -0.000) 7.972 30.158 ( 4.375 -6.664 -0.000) 7.972 30.677 ( -9.811 -4.969 3.783) 11.630 30.677 ( 9.811 -4.969 3.783) 11.630 30.850 ( -5.101 -2.306 -6.922) 8.902 30.850 ( 5.101 -2.306 -6.922) 8.902 31.630 ( -7.607 0.446 3.133) 8.239 31.630 ( 7.607 0.446 3.133) 8.239 31.783 ( -7.327 -5.198 -6.807) 11.271 31.783 ( 7.327 -5.198 -6.807) 11.271 32.210 ( -4.271 2.102 -0.231) 4.766 32.210 ( 4.271 2.102 -0.231) 4.766 32.639 ( -2.739 7.474 -0.584) 7.982 32.639 ( 2.739 7.474 -0.584) 7.982 33.255 ( -2.179 -0.329 4.813) 5.294 33.255 ( 2.179 -0.329 4.813) 5.294 33.607 ( -4.200 2.915 -4.520) 6.825 33.607 ( 4.200 2.915 -4.520) 6.825 34.301 ( -7.507 -3.161 6.363) 10.336 34.301 ( 7.507 -3.161 6.363) 10.336 34.584 ( -4.550 2.948 -4.394) 6.979 34.584 ( 4.551 2.948 -4.394) 6.979 35.257 ( -3.252 1.709 3.994) 5.427 35.257 ( 3.252 1.709 3.994) 5.427 35.799 ( -1.573 -5.406 -2.783) 6.280 35.799 ( 1.573 -5.406 -2.783) 6.280 36.073 ( -2.877 1.317 5.375) 6.238 36.073 ( 2.877 1.317 5.375) 6.238 36.398 ( -3.754 2.865 -8.465) 9.693 36.398 ( 3.754 2.865 -8.465) 9.693 37.280 ( -1.040 -1.313 3.434) 3.821 37.280 ( 1.040 -1.313 3.434) 3.821 37.809 ( -1.032 -4.981 -2.320) 5.591 37.809 ( 1.032 -4.981 -2.320) 5.591 38.671 ( -0.565 3.091 2.099) 3.778 38.671 ( 0.565 3.091 2.099) 3.778 39.077 ( -0.785 0.047 -1.401) 1.606 39.077 ( 0.785 0.047 -1.401) 1.606 ======================= Grid point 182 (40/45) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 13.557 13.557 12.559) 22.920 2.433 ( 11.721 11.721 17.491) 24.098 2.592 ( 10.789 10.789 -9.451) 17.948 2.795 ( 8.906 8.906 -11.033) 16.744 2.982 ( 9.342 9.342 4.062) 13.822 3.095 ( -0.339 -0.339 -6.231) 6.249 3.554 ( -3.800 -3.800 5.161) 7.451 3.602 ( -2.246 -2.246 1.186) 3.390 3.722 ( -0.943 -0.943 3.996) 4.212 3.828 ( -3.473 -3.473 -5.631) 7.472 4.039 ( -3.269 -3.269 2.295) 5.162 4.103 ( -2.912 -2.912 -2.987) 5.088 4.578 ( 0.164 0.164 7.586) 7.590 4.765 ( -0.989 -0.989 -8.006) 8.127 4.950 ( 3.148 3.148 3.966) 5.962 5.035 ( 2.094 2.094 -2.966) 4.192 5.386 ( 8.770 8.770 3.243) 12.820 5.433 ( 10.633 10.633 -0.646) 15.051 5.557 ( 7.785 7.785 1.578) 11.122 5.632 ( 8.535 8.535 -4.346) 12.829 5.987 ( 8.842 8.842 3.169) 12.899 6.111 ( 5.660 5.660 -8.516) 11.687 6.655 ( 4.326 4.326 7.924) 10.011 6.761 ( -3.320 -3.320 -0.763) 4.757 7.098 ( -1.206 -1.206 -2.873) 3.341 7.146 ( -8.608 -8.608 -5.553) 13.380 7.455 ( -4.036 -4.036 4.671) 7.375 7.488 ( -4.295 -4.295 1.256) 6.203 7.665 ( -6.656 -6.656 5.308) 10.806 7.698 ( -3.077 -3.077 4.707) 6.410 7.821 ( -3.663 -3.663 -3.067) 6.020 7.905 ( -0.853 -0.853 -9.070) 9.150 8.192 ( 0.141 0.141 0.539) 0.575 8.226 ( 0.110 0.110 -3.566) 3.569 9.438 ( -7.589 -7.589 13.503) 17.248 9.693 ( -10.331 -10.331 -10.290) 17.871 13.708 ( 8.953 8.953 44.355) 46.127 14.413 ( -0.585 -0.585 3.516) 3.612 15.368 ( -4.652 -4.652 -3.083) 7.266 16.115 ( -13.832 -13.832 -48.256) 52.070 18.222 ( 2.512 2.512 7.370) 8.181 18.358 ( 1.861 1.861 -3.347) 4.258 18.505 ( 8.580 8.580 10.740) 16.204 18.686 ( 13.224 13.224 -6.111) 19.675 19.290 ( -2.715 -2.715 12.158) 12.750 19.444 ( -1.288 -1.288 -1.211) 2.188 19.856 ( 6.892 6.892 22.673) 24.679 20.231 ( -5.515 -5.515 11.172) 13.625 20.362 ( -0.611 -0.611 -17.506) 17.527 20.509 ( -4.496 -4.496 -15.995) 17.213 21.531 ( -11.948 -11.948 14.045) 21.972 22.001 ( -13.342 -13.342 -25.855) 32.008 22.540 ( 10.646 10.646 22.116) 26.754 22.957 ( 14.712 14.712 -14.060) 25.111 23.159 ( 2.747 2.747 21.693) 22.038 23.369 ( 6.101 6.101 4.700) 9.825 23.614 ( 6.387 6.387 -9.168) 12.870 23.682 ( 7.034 7.034 -19.164) 21.591 24.150 ( 4.240 4.240 5.085) 7.862 24.294 ( 5.916 5.916 -6.742) 10.745 24.472 ( -3.144 -3.144 1.330) 4.641 24.484 ( -1.977 -1.977 -1.557) 3.200 25.291 ( 7.011 7.011 14.861) 17.865 25.498 ( -1.182 -1.182 3.843) 4.191 25.700 ( -0.551 -0.551 7.553) 7.594 25.982 ( -1.939 -1.939 -12.034) 12.342 26.398 ( -4.755 -4.755 3.183) 7.440 26.501 ( -8.053 -8.053 -5.719) 12.744 27.228 ( 3.185 3.185 14.566) 15.247 27.371 ( 2.983 2.983 1.425) 4.453 27.488 ( -2.570 -2.570 -3.518) 5.059 27.580 ( -3.534 -3.534 -11.644) 12.671 27.920 ( 3.389 3.389 3.386) 5.868 28.088 ( 7.813 7.813 -11.384) 15.865 28.574 ( -3.856 -3.856 8.663) 10.236 28.816 ( -4.837 -4.837 -9.435) 11.654 29.176 ( -1.783 -1.783 6.456) 6.931 29.177 ( -4.675 -4.675 1.204) 6.721 29.228 ( -1.599 -1.599 7.536) 7.868 29.432 ( 3.480 3.480 -3.227) 5.885 29.698 ( 0.405 0.405 -1.499) 1.605 29.808 ( -1.240 -1.240 -11.641) 11.772 30.031 ( 2.519 2.519 3.525) 5.011 30.085 ( -1.844 -1.844 -2.268) 3.456 30.590 ( -7.846 -7.846 8.409) 13.923 30.698 ( -0.813 -0.813 2.716) 2.949 31.002 ( -5.818 -5.818 2.965) 8.746 31.175 ( -6.406 -6.406 -10.528) 13.890 31.445 ( -5.135 -5.135 -1.112) 7.347 31.555 ( -0.702 -0.702 -7.758) 7.822 31.898 ( -5.994 -5.994 2.612) 8.870 31.986 ( -5.899 -5.899 -6.875) 10.810 32.182 ( 1.549 1.549 7.383) 7.701 32.332 ( 0.986 0.986 -5.962) 6.123 32.739 ( 0.751 0.751 9.494) 9.553 32.944 ( 0.527 0.527 -8.726) 8.758 33.195 ( 0.782 0.782 9.197) 9.264 33.303 ( -3.379 -3.379 0.912) 4.865 33.514 ( 3.495 3.495 6.799) 8.406 33.676 ( 4.163 4.163 -8.198) 10.093 34.025 ( 1.979 1.979 5.569) 6.232 34.180 ( 0.089 0.089 -7.900) 7.901 34.630 ( -2.139 -2.139 8.194) 8.735 34.798 ( 0.504 0.504 -6.397) 6.436 35.428 ( -1.962 -1.962 2.279) 3.591 35.487 ( -2.951 -2.951 -2.398) 4.813 35.520 ( 0.516 0.516 5.395) 5.444 35.602 ( -0.387 -0.387 -1.782) 1.864 36.068 ( 1.299 1.299 4.222) 4.604 36.175 ( -0.131 -0.131 -2.621) 2.627 36.390 ( -0.426 -0.426 1.426) 1.548 36.561 ( -1.691 -1.691 -11.002) 11.259 37.256 ( -1.070 -1.070 7.632) 7.781 37.330 ( -0.975 -0.975 2.721) 3.051 37.638 ( 0.194 0.194 -1.116) 1.149 37.734 ( -1.667 -1.667 -8.090) 8.426 38.669 ( 2.597 2.597 3.812) 5.293 38.689 ( 2.742 2.742 2.539) 4.635 38.981 ( 2.575 2.575 0.824) 3.734 39.049 ( 2.256 2.256 -4.643) 5.634 ======================= Grid point 183 (41/45) ======================= q-point: ( 0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 11.450 6.704 10.925) 17.187 2.682 ( 11.935 8.717 5.072) 15.626 2.802 ( 7.914 9.038 -1.399) 12.094 2.910 ( 0.596 5.220 -5.409) 7.541 3.073 ( 3.494 -1.174 3.383) 5.003 3.179 ( 7.835 1.069 -6.456) 10.208 3.447 ( -7.545 -1.625 4.840) 9.111 3.523 ( -6.636 -0.444 -1.767) 6.881 3.740 ( 3.391 1.013 2.644) 4.418 3.793 ( 1.123 -3.898 -2.417) 4.722 3.968 ( -3.896 -0.666 3.004) 4.965 4.029 ( -4.673 -0.142 -1.990) 5.081 4.578 ( 0.344 3.554 4.105) 5.441 4.692 ( -4.939 3.723 -5.578) 8.328 5.002 ( 2.407 -0.387 2.681) 3.624 5.051 ( 0.051 0.157 -1.550) 1.559 5.480 ( 2.352 15.940 1.456) 16.178 5.510 ( 0.683 17.716 -1.028) 17.759 5.844 ( 14.374 3.070 3.081) 15.017 5.943 ( 15.524 0.851 -5.173) 16.386 6.236 ( 14.878 3.382 2.030) 15.392 6.291 ( 14.726 2.572 -2.841) 15.217 6.629 ( -3.750 -8.695 2.955) 9.920 6.701 ( -3.861 -3.980 -1.744) 5.813 7.005 ( -6.497 -0.701 0.575) 6.560 7.067 ( -6.619 0.810 -3.972) 7.762 7.293 ( -7.839 0.402 5.905) 9.822 7.372 ( -6.745 -0.264 -0.834) 6.801 7.541 ( -2.007 -3.310 7.829) 8.734 7.681 ( -3.437 -5.249 6.252) 8.858 7.736 ( -2.105 -0.358 -9.097) 9.345 7.856 ( -3.916 0.122 -9.417) 10.199 8.211 ( 1.619 1.394 1.471) 2.594 8.241 ( 0.966 2.366 -1.665) 3.050 9.322 ( -3.142 -12.336 8.136) 15.108 9.485 ( -9.763 -13.012 -7.003) 17.711 13.912 ( 11.172 6.423 44.205) 46.045 14.333 ( -7.520 0.770 29.652) 30.600 15.372 ( 5.267 -4.150 -31.071) 31.786 15.826 ( -14.673 -10.062 -48.765) 51.909 18.271 ( 2.650 2.072 8.704) 9.331 18.364 ( -0.940 0.167 2.147) 2.350 18.683 ( 8.042 2.796 7.127) 11.103 18.869 ( 2.290 2.511 -10.637) 11.167 19.320 ( 7.816 4.445 12.322) 15.254 19.466 ( 3.338 3.858 -1.464) 5.307 20.004 ( 2.176 1.696 15.040) 15.291 20.142 ( 0.643 -1.079 10.003) 10.081 20.220 ( -9.193 -4.443 -3.343) 10.743 20.487 ( -1.732 0.367 -8.153) 8.343 21.356 ( -3.390 -13.239 -1.285) 13.727 21.706 ( -15.234 -13.556 -26.485) 33.426 22.782 ( 12.729 6.734 24.457) 28.382 23.139 ( -1.786 6.276 20.466) 21.481 23.249 ( 10.769 8.320 -12.765) 18.658 23.487 ( 4.135 9.145 -0.725) 10.062 23.731 ( 6.060 2.301 -6.097) 8.899 23.840 ( 6.827 3.768 -12.420) 14.665 24.172 ( -3.901 2.679 2.924) 5.563 24.229 ( -8.119 1.679 -2.372) 8.623 24.499 ( 6.880 1.259 4.010) 8.062 24.594 ( 10.440 7.219 -2.601) 12.957 25.224 ( -9.400 -3.908 12.448) 16.080 25.369 ( -11.699 -4.228 2.009) 12.600 25.829 ( 12.985 -6.328 8.315) 16.667 26.067 ( 7.190 4.022 -11.302) 13.986 26.307 ( -6.112 -1.890 -2.414) 6.838 26.348 ( -6.954 -7.488 -5.446) 11.580 27.222 ( -2.159 7.064 12.006) 14.096 27.312 ( -6.446 1.251 3.505) 7.443 27.500 ( 2.415 1.295 -1.677) 3.213 27.571 ( 1.656 4.753 -7.359) 8.916 28.025 ( 8.043 3.688 7.938) 11.887 28.252 ( 8.737 7.124 -9.686) 14.863 28.486 ( -7.259 0.835 7.451) 10.436 28.688 ( -8.673 -1.311 -7.270) 11.392 29.049 ( -3.045 -4.414 2.050) 5.741 29.111 ( -3.058 -1.355 -2.831) 4.382 29.276 ( 3.736 -4.628 8.220) 10.146 29.456 ( -2.907 -1.379 -4.882) 5.847 29.715 ( 3.475 -5.478 4.180) 7.717 29.895 ( 7.403 -7.598 -8.675) 13.703 29.987 ( -5.755 -4.809 0.998) 7.565 30.097 ( 1.094 1.705 -3.547) 4.085 30.485 ( -1.482 -5.287 8.679) 10.270 30.630 ( -4.296 -8.106 -0.710) 9.202 30.866 ( -7.142 -4.975 0.142) 8.705 31.011 ( -9.644 -0.641 -9.335) 13.437 31.442 ( 5.031 -1.861 2.208) 5.801 31.588 ( 4.233 -1.025 -9.493) 10.445 31.768 ( -6.935 -4.429 1.536) 8.370 31.857 ( -7.076 -4.692 -7.158) 11.105 32.231 ( 2.456 5.353 6.031) 8.430 32.341 ( -1.208 3.788 -3.114) 5.050 32.736 ( 0.068 2.713 7.741) 8.203 32.866 ( -5.484 4.243 -3.952) 7.981 33.229 ( 1.079 -0.879 5.864) 6.027 33.277 ( 1.004 2.833 3.056) 4.286 33.577 ( 3.197 2.019 3.425) 5.102 33.721 ( -0.491 2.152 -8.836) 9.108 34.113 ( 6.347 1.987 5.160) 8.418 34.240 ( 4.603 -2.694 -5.427) 7.609 34.566 ( -2.846 -2.471 6.231) 7.282 34.744 ( -5.724 0.077 -8.627) 10.354 35.358 ( -2.642 5.746 3.757) 7.356 35.402 ( -4.102 3.926 0.306) 5.687 35.623 ( 5.889 -3.099 1.642) 6.854 35.664 ( 4.691 -3.584 -2.108) 6.269 36.078 ( 0.053 0.419 5.411) 5.428 36.138 ( -3.037 -0.286 3.310) 4.501 36.392 ( 0.841 0.600 -3.447) 3.598 36.501 ( -3.812 -0.843 -9.982) 10.718 37.240 ( -0.254 -1.491 7.555) 7.705 37.292 ( -2.360 -0.974 3.941) 4.696 37.660 ( 1.594 -4.893 -3.803) 6.399 37.709 ( -0.955 -4.999 -7.164) 8.787 38.720 ( 2.283 3.774 4.287) 6.151 38.737 ( 1.737 4.271 3.343) 5.695 39.036 ( 2.646 0.389 -0.889) 2.818 39.081 ( 0.775 0.699 -4.376) 4.499 ======================= Grid point 184 (42/45) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -8.174 4.398 6.338) 11.240 2.770 ( 8.174 4.398 6.338) 11.240 2.864 ( -5.178 5.828 -2.024) 8.054 2.864 ( 5.178 5.828 -2.024) 8.054 3.240 ( -10.816 0.076 4.825) 11.844 3.240 ( 10.816 0.076 4.825) 11.844 3.360 ( -8.474 -0.042 -4.939) 9.808 3.360 ( 8.474 -0.042 -4.939) 9.808 3.820 ( -2.354 -3.412 0.574) 4.185 3.820 ( 2.354 -3.412 0.574) 4.185 3.932 ( -3.217 2.573 0.210) 4.124 3.932 ( 3.217 2.573 0.210) 4.124 4.609 ( -2.982 4.959 -0.636) 5.822 4.609 ( 2.982 4.959 -0.636) 5.822 5.040 ( -1.262 -1.084 0.178) 1.673 5.040 ( 1.262 -1.084 0.178) 1.673 5.510 ( -0.702 17.183 -0.033) 17.198 5.510 ( 0.702 17.183 -0.033) 17.198 6.043 ( -4.902 3.010 0.556) 5.779 6.043 ( 4.902 3.010 0.556) 5.779 6.475 ( -6.224 -5.535 -0.832) 8.371 6.475 ( 6.224 -5.535 -0.832) 8.371 6.723 ( -10.000 -1.055 1.394) 10.152 6.723 ( 10.000 -1.055 1.394) 10.152 6.801 ( -10.257 -1.989 -3.532) 11.029 6.801 ( 10.257 -1.989 -3.532) 11.029 7.280 ( -3.808 1.900 4.861) 6.461 7.280 ( 3.808 1.900 4.861) 6.461 7.569 ( -4.581 -0.283 5.171) 6.914 7.569 ( 4.581 -0.283 5.171) 6.914 7.772 ( -3.837 -1.102 -9.635) 10.430 7.772 ( 3.837 -1.102 -9.635) 10.430 8.242 ( -1.043 2.965 0.948) 3.284 8.242 ( 1.043 2.965 0.948) 3.284 9.336 ( -4.531 -14.607 -0.286) 15.297 9.336 ( 4.531 -14.607 -0.286) 15.297 14.139 ( -11.206 3.548 41.488) 43.121 14.139 ( 11.206 3.548 41.488) 43.121 15.553 ( -12.122 -6.554 -44.987) 47.050 15.553 ( 12.122 -6.554 -44.987) 47.050 18.326 ( -2.655 0.745 7.899) 8.367 18.326 ( 2.655 0.745 7.899) 8.367 18.816 ( -5.430 -0.796 -3.573) 6.548 18.816 ( 5.430 -0.796 -3.573) 6.548 19.491 ( -4.390 7.046 6.031) 10.261 19.491 ( 4.390 7.046 6.031) 10.261 20.003 ( -5.101 -2.562 0.122) 5.709 20.003 ( 5.101 -2.562 0.122) 5.709 20.354 ( -10.687 0.170 11.347) 15.588 20.354 ( 10.687 0.170 11.347) 15.588 21.437 ( -10.448 -13.472 -20.477) 26.645 21.437 ( 10.448 -13.472 -20.477) 26.645 23.012 ( -9.686 4.317 24.845) 27.013 23.012 ( 9.686 4.317 24.845) 27.013 23.450 ( -7.495 9.636 -14.022) 18.592 23.450 ( 7.495 9.636 -14.022) 18.592 23.868 ( -5.425 3.810 -0.826) 6.680 23.868 ( 5.425 3.810 -0.826) 6.680 24.113 ( -2.472 0.301 -2.784) 3.735 24.113 ( 2.472 0.301 -2.784) 3.735 24.673 ( -5.994 7.802 5.361) 11.204 24.673 ( 5.994 7.802 5.361) 11.204 25.153 ( -6.396 -7.749 3.161) 10.533 25.153 ( 6.396 -7.749 3.161) 10.533 26.096 ( -12.281 -6.467 0.858) 13.906 26.096 ( 12.281 -6.467 0.858) 13.906 26.223 ( -6.365 0.871 -7.268) 9.701 26.223 ( 6.365 0.871 -7.268) 9.701 27.214 ( -2.228 5.138 8.090) 9.839 27.214 ( 2.228 5.138 8.090) 9.839 27.561 ( -2.670 5.356 -3.847) 7.114 27.561 ( 2.670 5.356 -3.847) 7.114 28.243 ( -12.544 3.811 7.671) 15.190 28.243 ( 12.544 3.811 7.671) 15.190 28.478 ( -11.015 2.542 -6.074) 12.833 28.478 ( 11.015 2.542 -6.074) 12.833 29.063 ( -2.486 -3.105 -1.019) 4.106 29.063 ( 2.486 -3.105 -1.019) 4.106 29.361 ( -5.045 -4.412 0.799) 6.749 29.361 ( 5.045 -4.412 0.799) 6.749 29.838 ( -7.659 -9.312 5.891) 13.420 29.838 ( 7.659 -9.312 5.891) 13.420 30.047 ( -5.630 -4.537 -9.837) 12.209 30.047 ( 5.630 -4.537 -9.837) 12.209 30.535 ( -5.185 -7.120 2.799) 9.242 30.535 ( 5.185 -7.120 2.799) 9.242 30.838 ( -5.633 1.245 -3.177) 6.586 30.838 ( 5.633 1.245 -3.177) 6.586 31.599 ( -8.928 -2.427 1.340) 9.348 31.599 ( 8.928 -2.427 1.340) 9.348 31.713 ( -6.804 -2.209 -8.264) 10.930 31.713 ( 6.804 -2.209 -8.264) 10.930 32.287 ( -3.261 5.116 2.397) 6.524 32.287 ( 3.261 5.116 2.397) 6.524 32.773 ( -3.557 3.995 0.010) 5.349 32.773 ( 3.557 3.995 0.010) 5.349 33.266 ( -2.183 2.322 7.497) 8.147 33.266 ( 2.183 2.322 7.497) 8.147 33.660 ( -4.700 2.097 -5.656) 7.647 33.660 ( 4.700 2.097 -5.656) 7.647 34.244 ( -5.149 -1.602 3.987) 6.707 34.244 ( 5.149 -1.602 3.987) 6.707 34.603 ( -6.737 -1.984 -5.492) 8.915 34.603 ( 6.737 -1.984 -5.492) 8.915 35.346 ( -1.331 7.196 3.129) 7.959 35.346 ( 1.331 7.196 3.129) 7.959 35.705 ( -1.435 -3.606 -1.231) 4.072 35.705 ( 1.435 -3.606 -1.231) 4.072 36.088 ( -1.412 0.216 5.950) 6.119 36.088 ( 1.412 0.216 5.950) 6.119 36.429 ( -2.942 -0.236 -7.491) 8.051 36.429 ( 2.942 -0.236 -7.491) 8.051 37.252 ( -1.462 -1.310 5.706) 6.034 37.252 ( 1.462 -1.310 5.706) 6.034 37.689 ( -1.212 -6.441 -5.627) 8.638 37.689 ( 1.212 -6.441 -5.627) 8.638 38.750 ( -0.507 4.483 4.115) 6.106 38.750 ( 0.507 4.483 4.115) 6.106 39.076 ( -1.243 -0.179 -2.963) 3.218 39.076 ( 1.243 -0.179 -2.963) 3.218 ======================= Grid point 192 (43/45) ======================= q-point: ( 0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 7.425 7.425 8.041) 13.225 2.832 ( 5.912 5.912 -2.928) 8.859 2.949 ( 1.380 1.380 2.461) 3.141 2.982 ( 0.140 0.140 -0.232) 0.305 3.101 ( 7.725 7.725 4.568) 11.842 3.230 ( 4.870 4.870 -6.449) 9.435 3.408 ( -3.074 -3.074 4.086) 5.966 3.500 ( -3.430 -3.430 -3.377) 5.911 3.723 ( -0.534 -0.534 2.634) 2.740 3.766 ( 1.482 1.482 -0.808) 2.246 3.937 ( -2.396 -2.396 4.647) 5.751 3.998 ( -3.142 -3.142 -0.674) 4.495 4.648 ( 3.508 3.508 3.298) 5.957 4.743 ( 0.804 0.804 -4.760) 4.895 4.952 ( -2.277 -2.277 3.779) 4.965 5.005 ( -3.109 -3.109 -0.643) 4.444 5.765 ( 8.481 8.481 0.873) 12.026 5.852 ( 7.906 7.906 -6.255) 12.812 5.984 ( 13.459 13.459 3.692) 19.389 6.064 ( 12.298 12.298 -3.756) 17.793 6.346 ( 6.311 6.311 2.466) 9.259 6.401 ( 8.911 8.911 -0.165) 12.603 6.445 ( -6.041 -6.041 -0.369) 8.551 6.563 ( -6.734 -6.734 -7.442) 12.086 7.008 ( -3.464 -3.464 1.645) 5.167 7.042 ( -5.684 -5.684 -1.585) 8.193 7.241 ( -6.374 -6.374 3.083) 9.527 7.271 ( -7.442 -7.442 -0.186) 10.526 7.474 ( 0.491 0.491 10.794) 10.816 7.607 ( -1.087 -1.087 5.302) 5.521 7.741 ( -0.091 -0.091 -4.758) 4.760 7.840 ( -2.528 -2.528 -7.966) 8.731 8.281 ( 5.493 5.493 1.545) 7.921 8.332 ( 5.584 5.584 -3.597) 8.678 9.085 ( -9.859 -9.859 5.527) 14.999 9.212 ( -13.342 -13.342 -6.267) 19.882 14.055 ( 7.680 7.680 46.702) 47.948 14.310 ( -3.378 -3.378 43.217) 43.481 15.343 ( 1.751 1.751 -46.245) 46.311 15.619 ( -10.187 -10.187 -51.720) 53.689 18.313 ( 2.104 2.104 13.333) 13.661 18.363 ( -0.282 -0.282 11.362) 11.369 18.735 ( 2.430 2.430 -1.091) 3.605 18.855 ( -2.993 -2.993 -11.273) 12.042 19.484 ( 10.264 10.264 7.885) 16.519 19.566 ( 5.815 5.815 0.707) 8.254 19.966 ( -4.246 -4.246 5.196) 7.940 20.083 ( -7.415 -7.415 -4.940) 11.592 20.225 ( 6.686 6.686 18.566) 20.835 20.482 ( -2.050 -2.050 7.790) 8.311 21.156 ( -5.039 -5.039 -17.284) 18.695 21.423 ( -13.917 -13.917 -30.361) 36.182 22.942 ( 8.802 8.802 28.134) 30.765 23.183 ( -0.835 -0.835 28.848) 28.872 23.440 ( 8.711 8.711 -16.705) 20.756 23.630 ( 4.050 4.050 -4.792) 7.468 23.819 ( 6.113 6.113 -4.273) 9.643 23.936 ( 5.428 5.428 -10.848) 13.289 24.139 ( -4.927 -4.927 1.334) 7.095 24.208 ( -4.142 -4.142 -4.536) 7.408 24.597 ( 9.031 9.031 8.464) 15.322 24.754 ( 8.436 8.436 -4.817) 12.866 25.073 ( -9.457 -9.457 10.100) 16.760 25.231 ( -10.328 -10.328 -4.092) 15.168 25.804 ( 4.767 4.767 17.643) 18.887 26.132 ( -4.202 -4.202 -5.767) 8.280 26.208 ( 0.975 0.975 -7.260) 7.390 26.320 ( -0.146 -0.146 -12.815) 12.817 27.295 ( 1.666 1.666 13.221) 13.429 27.346 ( 0.745 0.745 11.069) 11.119 27.542 ( 4.225 4.225 -2.894) 6.639 27.661 ( 2.616 2.616 -8.805) 9.550 28.108 ( 5.264 5.264 13.751) 15.637 28.370 ( 4.850 4.850 -5.023) 8.502 28.512 ( -3.152 -3.152 2.054) 4.908 28.629 ( -3.366 -3.366 -4.672) 6.670 28.938 ( -2.898 -2.898 4.828) 6.332 29.079 ( -1.716 -1.716 -5.496) 6.008 29.232 ( 0.718 0.718 6.241) 6.323 29.380 ( -5.858 -5.858 -0.982) 8.342 29.633 ( -3.102 -3.102 0.026) 4.386 29.765 ( -3.720 -3.720 -2.343) 5.760 29.865 ( -5.953 -5.953 -9.739) 12.873 30.079 ( -5.864 -5.864 -14.577) 16.771 30.447 ( 0.455 0.455 9.699) 9.720 30.496 ( -2.496 -2.496 10.455) 11.035 30.807 ( -0.114 -0.114 -0.547) 0.570 30.982 ( -3.220 -3.220 -11.243) 12.130 31.474 ( 4.538 4.538 1.584) 6.611 31.587 ( 1.428 1.428 -7.344) 7.616 31.684 ( -3.766 -3.766 -1.515) 5.537 31.772 ( -4.407 -4.407 -8.284) 10.367 32.313 ( 2.990 2.990 9.146) 10.077 32.412 ( 1.587 1.587 2.517) 3.372 32.740 ( -1.123 -1.123 2.735) 3.163 32.851 ( -4.216 -4.216 -5.849) 8.352 33.264 ( 4.670 4.670 10.356) 12.283 33.361 ( 3.818 3.818 4.548) 7.059 33.620 ( 2.473 2.473 0.240) 3.505 33.737 ( -0.885 -0.885 -8.911) 8.999 34.192 ( 4.638 4.638 0.571) 6.584 34.231 ( 2.162 2.162 -2.385) 3.878 34.493 ( -3.489 -3.489 4.068) 6.394 34.666 ( -7.122 -7.122 -10.325) 14.423 35.456 ( 3.772 3.772 3.814) 6.558 35.502 ( 2.586 2.586 0.167) 3.661 35.609 ( 2.107 2.107 1.459) 3.318 35.636 ( 0.941 0.941 -1.007) 1.668 36.077 ( 0.042 0.042 7.843) 7.844 36.119 ( -1.285 -1.285 6.409) 6.661 36.386 ( -0.719 -0.719 -5.924) 6.010 36.452 ( -3.500 -3.500 -9.393) 10.617 37.222 ( -0.115 -0.115 9.644) 9.646 37.267 ( -1.553 -1.553 7.461) 7.778 37.586 ( -2.221 -2.221 -8.474) 9.038 37.622 ( -3.533 -3.533 -9.900) 11.089 38.791 ( 3.176 3.176 6.343) 7.772 38.813 ( 2.785 2.785 5.647) 6.885 39.048 ( 0.843 0.843 -3.405) 3.607 39.086 ( -0.337 -0.337 -5.656) 5.676 ======================= Grid point 193 (44/45) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( -5.970 3.627 4.095) 8.097 2.850 ( 5.970 3.627 4.095) 8.097 2.947 ( -3.235 1.585 -1.551) 3.922 2.947 ( 3.235 1.585 -1.551) 3.922 3.286 ( -7.419 4.223 4.490) 9.646 3.286 ( 7.419 4.223 4.490) 9.646 3.377 ( -6.959 0.965 -4.023) 8.096 3.377 ( 6.959 0.965 -4.023) 8.096 3.767 ( -2.747 -0.928 1.931) 3.484 3.767 ( 2.747 -0.928 1.931) 3.484 3.925 ( -2.745 -3.017 1.223) 4.258 3.925 ( 2.745 -3.017 1.223) 4.258 4.715 ( -3.020 5.647 0.154) 6.406 4.715 ( 3.020 5.647 0.154) 6.406 4.952 ( -1.891 -5.904 1.114) 6.299 4.952 ( 1.891 -5.904 1.114) 6.299 5.870 ( -2.793 14.537 -2.416) 14.999 5.870 ( 2.793 14.537 -2.416) 14.999 6.214 ( -4.881 14.190 1.328) 15.064 6.214 ( 4.881 14.190 1.328) 15.064 6.316 ( -6.192 -8.099 -4.358) 11.087 6.316 ( 6.192 -8.099 -4.358) 11.087 6.695 ( -1.991 -2.481 -0.366) 3.202 6.695 ( 1.991 -2.481 -0.366) 3.202 6.805 ( -2.326 2.330 -0.498) 3.329 6.805 ( 2.326 2.330 -0.498) 3.329 7.192 ( -1.033 -11.896 1.059) 11.988 7.192 ( 1.033 -11.896 1.059) 11.988 7.550 ( -4.913 1.687 9.570) 10.889 7.550 ( 4.913 1.687 9.570) 10.889 7.772 ( -3.372 -0.888 -6.853) 7.689 7.772 ( 3.372 -0.888 -6.853) 7.689 8.380 ( -2.329 10.807 -0.149) 11.056 8.380 ( 2.329 10.807 -0.149) 11.056 9.015 ( -4.324 -16.870 -1.762) 17.505 9.015 ( 4.324 -16.870 -1.762) 17.505 14.204 ( -6.872 2.630 48.041) 48.602 14.204 ( 6.872 2.630 48.041) 48.602 15.439 ( -7.444 -4.413 -52.485) 53.194 15.439 ( 7.444 -4.413 -52.485) 53.194 18.348 ( -1.300 1.318 15.933) 16.041 18.348 ( 1.300 1.318 15.933) 16.041 18.788 ( -3.146 -1.667 -9.164) 9.832 18.788 ( 3.146 -1.667 -9.164) 9.832 19.632 ( -2.109 6.646 6.134) 9.287 19.632 ( 2.109 6.646 6.134) 9.287 19.940 ( -4.247 -3.636 -2.570) 6.154 19.940 ( 4.247 -3.636 -2.570) 6.154 20.379 ( -7.624 2.081 19.018) 20.595 20.379 ( 7.624 2.081 19.018) 20.595 21.193 ( -8.054 -10.026 -29.940) 32.585 21.193 ( 8.054 -10.026 -29.940) 32.585 23.104 ( -6.721 4.368 29.174) 30.255 23.104 ( 6.721 4.368 29.174) 30.255 23.596 ( -6.373 4.303 -13.664) 15.679 23.596 ( 6.373 4.303 -13.664) 15.679 23.956 ( -5.912 4.781 0.269) 7.607 23.956 ( 5.912 4.781 0.269) 7.607 24.107 ( -4.507 -0.880 -5.848) 7.436 24.107 ( 4.507 -0.880 -5.848) 7.436 24.799 ( -8.665 3.916 5.559) 11.014 24.799 ( 8.665 3.916 5.559) 11.014 25.014 ( -8.685 -4.732 -1.583) 10.017 25.014 ( 8.685 -4.732 -1.583) 10.017 25.964 ( -9.596 -5.173 10.633) 15.229 25.964 ( 9.596 -5.173 10.633) 15.229 26.284 ( -3.438 3.224 -15.353) 16.061 26.284 ( 3.438 3.224 -15.353) 16.061 27.329 ( -1.648 6.285 13.384) 14.878 27.329 ( 1.648 6.285 13.384) 14.878 27.641 ( -4.198 2.408 -5.645) 7.435 27.641 ( 4.198 2.408 -5.645) 7.435 28.280 ( -11.697 -1.708 12.008) 16.850 28.280 ( 11.697 -1.708 12.008) 16.850 28.528 ( -6.911 2.429 -7.333) 10.365 28.528 ( 6.911 2.429 -7.333) 10.365 29.001 ( -6.231 -0.770 2.594) 6.793 29.001 ( 6.231 -0.770 2.594) 6.793 29.282 ( -3.675 -3.249 -1.037) 5.013 29.282 ( 3.675 -3.249 -1.037) 5.013 29.648 ( -5.795 -8.010 2.512) 10.201 29.648 ( 5.795 -8.010 2.512) 10.201 29.908 ( -8.432 -9.093 -20.098) 23.616 29.908 ( 8.432 -9.093 -20.098) 23.616 30.474 ( -1.722 0.579 15.747) 15.852 30.474 ( 1.722 0.579 15.747) 15.852 30.879 ( -6.154 2.114 -8.036) 10.340 30.879 ( 6.154 2.114 -8.036) 10.340 31.580 ( -4.646 0.720 -0.081) 4.702 31.580 ( 4.646 0.720 -0.081) 4.702 31.675 ( -4.530 -1.703 -8.505) 9.786 31.675 ( 4.530 -1.703 -8.505) 9.786 32.377 ( -3.591 3.260 9.601) 10.757 32.377 ( 3.591 3.260 9.601) 10.757 32.763 ( -3.566 -3.569 -5.672) 7.591 32.763 ( 3.566 -3.569 -5.672) 7.591 33.363 ( -3.639 6.294 10.570) 12.830 33.363 ( 3.639 6.294 10.570) 12.830 33.686 ( -3.768 0.520 -6.820) 7.810 33.686 ( 3.768 0.520 -6.820) 7.810 34.258 ( -1.838 2.964 1.296) 3.721 34.258 ( 1.838 2.964 1.296) 3.721 34.513 ( -6.343 -6.308 -5.885) 10.708 34.513 ( 6.343 -6.308 -5.885) 10.708 35.503 ( -1.334 7.217 2.286) 7.687 35.503 ( 1.334 7.217 2.286) 7.687 35.653 ( -0.880 -2.003 -0.078) 2.190 35.653 ( 0.880 -2.003 -0.078) 2.190 36.093 ( -1.358 0.622 8.813) 8.939 36.093 ( 1.358 0.622 8.813) 8.939 36.392 ( -1.852 -2.990 -8.558) 9.252 36.392 ( 1.852 -2.990 -8.558) 9.252 37.236 ( -1.371 -0.256 9.790) 9.889 37.236 ( 1.371 -0.256 9.790) 9.889 37.575 ( -1.042 -4.525 -10.854) 11.806 37.575 ( 1.042 -4.525 -10.854) 11.806 38.834 ( -0.731 3.530 7.282) 8.125 38.834 ( 0.731 3.530 7.282) 8.125 39.069 ( -1.160 -0.522 -5.708) 5.848 39.069 ( 1.160 -0.522 -5.708) 5.848 ======================= Grid point 206 (45/45) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 0.000 0.000 3.305) 3.305 2.897 ( 0.000 0.000 3.305) 3.305 2.947 ( -0.000 -0.000 -0.719) 0.719 2.947 ( 0.000 0.000 -0.719) 0.719 3.361 ( -0.000 -0.000 -0.156) 0.156 3.361 ( 0.000 0.000 -0.156) 0.156 3.367 ( -0.000 -0.000 0.020) 0.020 3.367 ( 0.000 0.000 0.020) 0.020 3.783 ( 0.000 0.000 5.455) 5.455 3.783 ( 0.000 0.000 5.455) 5.455 3.862 ( 0.000 0.000 -1.443) 1.443 3.862 ( 0.000 0.000 -1.443) 1.443 4.828 ( -0.000 -0.000 0.816) 0.816 4.828 ( 0.000 0.000 0.816) 0.816 4.835 ( -0.000 -0.000 1.243) 1.243 4.835 ( 0.000 0.000 1.243) 1.243 6.082 ( -0.000 -0.000 -2.037) 2.037 6.082 ( 0.000 0.000 -2.037) 2.037 6.115 ( -0.000 -0.000 -5.656) 5.656 6.115 ( 0.000 0.000 -5.656) 5.656 6.559 ( -0.000 -0.000 0.966) 0.966 6.559 ( 0.000 0.000 0.966) 0.966 6.571 ( -0.000 -0.000 -0.227) 0.227 6.571 ( 0.000 0.000 -0.227) 0.227 6.909 ( -0.000 -0.000 1.403) 1.403 6.909 ( 0.000 0.000 1.403) 1.403 6.936 ( -0.000 -0.000 -1.182) 1.182 6.936 ( 0.000 0.000 -1.182) 1.182 7.588 ( 0.000 0.000 8.783) 8.783 7.588 ( 0.000 0.000 8.783) 8.783 7.749 ( 0.000 0.000 -4.966) 4.966 7.749 ( 0.000 0.000 -4.966) 4.966 8.594 ( 0.000 0.000 4.990) 4.990 8.594 ( 0.000 0.000 4.990) 4.990 8.743 ( -0.000 -0.000 -7.639) 7.639 8.743 ( -0.000 -0.000 -7.639) 7.639 14.232 ( 0.000 0.000 51.378) 51.378 14.232 ( 0.000 0.000 51.378) 51.378 15.393 ( 0.000 0.000 -56.212) 56.212 15.393 ( 0.000 0.000 -56.212) 56.212 18.365 ( 0.000 0.000 20.537) 20.537 18.365 ( 0.000 0.000 20.537) 20.537 18.768 ( 0.000 0.000 -12.961) 12.961 18.768 ( 0.000 0.000 -12.961) 12.961 19.717 ( 0.000 0.000 8.600) 8.600 19.717 ( 0.000 0.000 8.600) 8.600 19.887 ( -0.000 -0.000 -5.452) 5.452 19.887 ( 0.000 0.000 -5.452) 5.452 20.408 ( 0.000 0.000 24.574) 24.574 20.408 ( 0.000 0.000 24.574) 24.574 21.083 ( 0.000 0.000 -36.359) 36.359 21.083 ( 0.000 0.000 -36.359) 36.359 23.155 ( 0.000 0.000 30.650) 30.650 23.155 ( 0.000 0.000 30.650) 30.650 23.632 ( 0.000 0.000 -12.012) 12.012 23.632 ( 0.000 0.000 -12.012) 12.012 24.016 ( 0.000 0.000 -0.364) 0.364 24.016 ( 0.000 0.000 -0.364) 0.364 24.092 ( 0.000 0.000 -6.570) 6.570 24.092 ( 0.000 0.000 -6.570) 6.570 24.827 ( 0.000 0.000 6.412) 6.412 24.827 ( 0.000 0.000 6.412) 6.412 24.976 ( 0.000 0.000 -7.853) 7.853 24.976 ( 0.000 0.000 -7.853) 7.853 25.912 ( 0.000 0.000 17.759) 17.759 25.912 ( 0.000 0.000 17.759) 17.759 26.318 ( 0.000 0.000 -18.883) 18.883 26.318 ( 0.000 0.000 -18.883) 18.883 27.413 ( 0.000 0.000 16.639) 16.639 27.413 ( 0.000 0.000 16.639) 16.639 27.659 ( 0.000 0.000 -7.224) 7.224 27.659 ( 0.000 0.000 -7.224) 7.224 28.236 ( 0.000 0.000 14.153) 14.153 28.236 ( 0.000 0.000 14.153) 14.153 28.552 ( 0.000 0.000 -12.629) 12.629 28.552 ( 0.000 0.000 -12.629) 12.629 29.027 ( 0.000 0.000 14.405) 14.405 29.027 ( 0.000 0.000 14.405) 14.405 29.232 ( 0.000 0.000 -5.075) 5.075 29.232 ( 0.000 0.000 -5.075) 5.075 29.573 ( 0.000 0.000 -3.081) 3.081 29.573 ( 0.000 0.000 -3.080) 3.080 29.787 ( 0.000 0.000 -21.618) 21.618 29.787 ( 0.000 0.000 -21.618) 21.618 30.491 ( 0.000 0.000 20.861) 20.861 30.491 ( 0.000 0.000 20.861) 20.861 30.902 ( 0.000 0.000 -11.857) 11.857 30.902 ( 0.000 0.000 -11.857) 11.857 31.601 ( 0.000 0.000 -0.020) 0.020 31.601 ( 0.000 0.000 -0.020) 0.020 31.650 ( 0.000 0.000 -8.659) 8.659 31.650 ( 0.000 0.000 -8.659) 8.659 32.408 ( 0.000 0.000 16.017) 16.017 32.408 ( 0.000 0.000 16.017) 16.017 32.714 ( 0.000 0.000 -11.788) 11.788 32.714 ( 0.000 0.000 -11.788) 11.788 33.441 ( 0.000 0.000 13.548) 13.548 33.441 ( 0.000 0.000 13.548) 13.548 33.688 ( 0.000 0.000 -9.021) 9.021 33.688 ( 0.000 0.000 -9.021) 9.021 34.325 ( 0.000 0.000 1.132) 1.132 34.325 ( 0.000 0.000 1.132) 1.132 34.409 ( -0.000 -0.000 -6.733) 6.733 34.409 ( 0.000 0.000 -6.733) 6.733 35.602 ( -0.000 -0.000 1.479) 1.479 35.602 ( 0.000 0.000 1.479) 1.479 35.610 ( -0.000 -0.000 0.576) 0.576 35.610 ( 0.000 0.000 0.576) 0.576 36.106 ( 0.000 0.000 11.922) 11.922 36.106 ( 0.000 0.000 11.922) 11.922 36.350 ( 0.000 0.000 -10.768) 10.768 36.350 ( 0.000 0.000 -10.768) 10.768 37.235 ( 0.000 0.000 12.657) 12.657 37.235 ( 0.000 0.000 12.657) 12.657 37.527 ( 0.000 0.000 -14.230) 14.230 37.527 ( 0.000 0.000 -14.230) 14.230 38.872 ( 0.000 0.000 9.652) 9.652 38.872 ( 0.000 0.000 9.652) 9.652 39.062 ( 0.000 0.000 -7.918) 7.918 39.062 ( 0.000 0.000 -7.918) 7.918 =================== 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 3/38400 10.0 3440.360 3440.360 2803.939 -0.000 -0.000 0.000 3/38400 20.0 987.651 987.651 841.454 -0.000 -0.000 0.000 3/38400 30.0 405.771 405.771 362.639 -0.000 -0.000 0.000 3/38400 40.0 207.632 207.632 185.557 -0.000 -0.000 0.000 3/38400 50.0 123.291 123.291 109.496 -0.000 -0.000 0.000 3/38400 60.0 82.331 82.331 72.614 -0.000 -0.000 0.000 3/38400 70.0 60.021 60.021 52.562 -0.000 -0.000 0.000 3/38400 80.0 46.639 46.639 40.562 -0.000 -0.000 0.000 3/38400 90.0 37.950 37.950 32.802 -0.000 -0.000 0.000 3/38400 100.0 31.930 31.930 27.460 -0.000 0.000 0.000 3/38400 110.0 27.528 27.528 23.589 -0.000 0.000 0.000 3/38400 120.0 24.163 24.163 20.661 -0.000 0.000 0.000 3/38400 130.0 21.495 21.495 18.366 -0.000 0.000 0.000 3/38400 140.0 19.315 19.315 16.513 -0.000 0.000 0.000 3/38400 150.0 17.494 17.494 14.980 -0.000 0.000 0.000 3/38400 160.0 15.942 15.942 13.686 -0.000 0.000 0.000 3/38400 170.0 14.603 14.603 12.577 -0.000 -0.000 0.000 3/38400 180.0 13.433 13.433 11.614 -0.000 -0.000 0.000 3/38400 190.0 12.404 12.404 10.769 -0.000 -0.000 0.000 3/38400 200.0 11.492 11.492 10.022 -0.000 -0.000 0.000 3/38400 210.0 10.679 10.679 9.356 -0.000 -0.000 0.000 3/38400 220.0 9.953 9.953 8.761 -0.000 -0.000 0.000 3/38400 230.0 9.301 9.301 8.225 -0.000 -0.000 0.000 3/38400 240.0 8.714 8.714 7.742 -0.000 -0.000 0.000 3/38400 250.0 8.184 8.184 7.304 -0.000 -0.000 0.000 3/38400 260.0 7.705 7.705 6.906 -0.000 -0.000 0.000 3/38400 270.0 7.269 7.269 6.543 -0.000 -0.000 0.000 3/38400 280.0 6.874 6.874 6.212 -0.000 -0.000 0.000 3/38400 290.0 6.513 6.513 5.909 -0.000 -0.000 0.000 3/38400 300.0 6.183 6.183 5.630 -0.000 -0.000 0.000 3/38400 310.0 5.881 5.881 5.374 -0.000 -0.000 0.000 3/38400 320.0 5.603 5.603 5.138 -0.000 -0.000 0.000 3/38400 330.0 5.348 5.348 4.920 -0.000 -0.000 0.000 3/38400 340.0 5.113 5.113 4.718 -0.000 -0.000 0.000 3/38400 350.0 4.896 4.896 4.530 -0.000 -0.000 0.000 3/38400 360.0 4.695 4.695 4.356 -0.000 -0.000 0.000 3/38400 370.0 4.509 4.509 4.194 -0.000 -0.000 0.000 3/38400 380.0 4.336 4.336 4.043 -0.000 -0.000 0.000 3/38400 390.0 4.175 4.175 3.902 -0.000 -0.000 0.000 3/38400 400.0 4.025 4.025 3.770 -0.000 -0.000 0.000 3/38400 410.0 3.884 3.884 3.646 -0.000 -0.000 0.000 3/38400 420.0 3.753 3.753 3.529 -0.000 -0.000 0.000 3/38400 430.0 3.630 3.630 3.420 -0.000 -0.000 0.000 3/38400 440.0 3.514 3.514 3.317 -0.000 -0.000 0.000 3/38400 450.0 3.406 3.406 3.220 -0.000 -0.000 0.000 3/38400 460.0 3.304 3.304 3.129 -0.000 -0.000 0.000 3/38400 470.0 3.207 3.207 3.042 -0.000 -0.000 0.000 3/38400 480.0 3.116 3.116 2.960 -0.000 -0.000 0.000 3/38400 490.0 3.030 3.030 2.882 -0.000 -0.000 0.000 3/38400 500.0 2.948 2.948 2.808 -0.000 -0.000 0.000 3/38400 510.0 2.871 2.871 2.738 -0.000 -0.000 0.000 3/38400 520.0 2.798 2.798 2.672 -0.000 -0.000 0.000 3/38400 530.0 2.728 2.728 2.608 -0.000 -0.000 0.000 3/38400 540.0 2.662 2.662 2.547 -0.000 -0.000 0.000 3/38400 550.0 2.599 2.599 2.490 -0.000 -0.000 0.000 3/38400 560.0 2.539 2.539 2.434 -0.000 -0.000 0.000 3/38400 570.0 2.481 2.481 2.382 -0.000 -0.000 0.000 3/38400 580.0 2.426 2.426 2.331 -0.000 -0.000 0.000 3/38400 590.0 2.374 2.374 2.283 -0.000 -0.000 0.000 3/38400 600.0 2.324 2.324 2.236 -0.000 -0.000 0.000 3/38400 610.0 2.276 2.276 2.192 -0.000 -0.000 0.000 3/38400 620.0 2.230 2.230 2.149 -0.000 -0.000 0.000 3/38400 630.0 2.185 2.185 2.108 -0.000 -0.000 0.000 3/38400 640.0 2.143 2.143 2.069 -0.000 -0.000 0.000 3/38400 650.0 2.102 2.102 2.031 -0.000 -0.000 0.000 3/38400 660.0 2.063 2.063 1.994 -0.000 -0.000 0.000 3/38400 670.0 2.025 2.025 1.959 -0.000 -0.000 0.000 3/38400 680.0 1.989 1.989 1.925 -0.000 -0.000 0.000 3/38400 690.0 1.954 1.954 1.892 -0.000 -0.000 0.000 3/38400 700.0 1.920 1.920 1.860 -0.000 -0.000 0.000 3/38400 710.0 1.887 1.887 1.830 -0.000 -0.000 0.000 3/38400 720.0 1.856 1.856 1.800 -0.000 -0.000 0.000 3/38400 730.0 1.825 1.825 1.772 -0.000 -0.000 0.000 3/38400 740.0 1.796 1.796 1.744 -0.000 -0.000 0.000 3/38400 750.0 1.767 1.767 1.717 -0.000 -0.000 0.000 3/38400 760.0 1.740 1.740 1.691 -0.000 -0.000 0.000 3/38400 770.0 1.713 1.713 1.666 -0.000 -0.000 0.000 3/38400 780.0 1.687 1.687 1.641 -0.000 -0.000 0.000 3/38400 790.0 1.662 1.662 1.618 -0.000 -0.000 0.000 3/38400 800.0 1.638 1.638 1.595 -0.000 -0.000 0.000 3/38400 810.0 1.614 1.614 1.572 -0.000 -0.000 0.000 3/38400 820.0 1.592 1.592 1.551 -0.000 -0.000 0.000 3/38400 830.0 1.569 1.569 1.530 -0.000 -0.000 0.000 3/38400 840.0 1.548 1.548 1.509 -0.000 -0.000 0.000 3/38400 850.0 1.527 1.527 1.489 -0.000 -0.000 0.000 3/38400 860.0 1.506 1.506 1.470 -0.000 -0.000 0.000 3/38400 870.0 1.487 1.487 1.451 -0.000 -0.000 0.000 3/38400 880.0 1.467 1.467 1.432 -0.000 -0.000 0.000 3/38400 890.0 1.448 1.448 1.414 -0.000 -0.000 0.000 3/38400 900.0 1.430 1.430 1.397 -0.000 -0.000 0.000 3/38400 910.0 1.412 1.412 1.380 -0.000 -0.000 0.000 3/38400 920.0 1.395 1.395 1.363 -0.000 -0.000 0.000 3/38400 930.0 1.378 1.378 1.347 -0.000 -0.000 0.000 3/38400 940.0 1.361 1.361 1.331 -0.000 -0.000 0.000 3/38400 950.0 1.345 1.345 1.316 -0.000 -0.000 0.000 3/38400 960.0 1.330 1.330 1.301 -0.000 -0.000 0.000 3/38400 970.0 1.314 1.314 1.286 -0.000 -0.000 0.000 3/38400 980.0 1.299 1.299 1.272 -0.000 -0.000 0.000 3/38400 990.0 1.285 1.285 1.258 -0.000 -0.000 0.000 3/38400 1000.0 1.270 1.270 1.244 -0.000 -0.000 0.000 3/38400 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:15:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|