----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:47:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.526607629999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.822889389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.245228590000000 Atomic positions (fractional): *1 S 0.72847313913749 0.25000000000000 0.30100438005129 32.065 2 S 0.27152686086251 0.75000000000000 0.69899561994871 32.065 3 S 0.77152686086251 0.75000000000000 0.80100438005129 32.065 4 S 0.22847313913749 0.25000000000000 0.19899561994871 32.065 *5 S 0.37965312118294 0.25000000000000 0.94398752932954 32.065 6 S 0.62034687881706 0.75000000000000 0.05601247067046 32.065 7 S 0.12034687881706 0.75000000000000 0.44398752932954 32.065 8 S 0.87965312118294 0.25000000000000 0.55601247067046 32.065 *9 S 0.04523267426983 0.25000000000000 0.87437113642134 32.065 10 S 0.95476732573017 0.75000000000000 0.12562886357866 32.065 11 S 0.45476732573017 0.75000000000000 0.37437113642134 32.065 12 S 0.54523267426983 0.25000000000000 0.62562886357866 32.065 *13 Dy 0.80674079321415 0.25000000000000 0.99776802035862 162.500 14 Dy 0.19325920678585 0.75000000000000 0.00223197964138 162.500 15 Dy 0.69325920678585 0.75000000000000 0.49776802035862 162.500 16 Dy 0.30674079321415 0.25000000000000 0.50223197964138 162.500 *17 Dy 0.48926230131620 0.25000000000000 0.18673841971692 162.500 18 Dy 0.51073769868380 0.75000000000000 0.81326158028308 162.500 19 Dy 0.01073769868380 0.75000000000000 0.68673841971692 162.500 20 Dy 0.98926230131620 0.25000000000000 0.31326158028308 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.526607629999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.822889389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.245228590000000 Atomic positions (fractional): *1 S 0.72847313913749 0.25000000000000 0.30100438005129 32.065 > 1 2 S 0.27152686086251 0.75000000000000 0.69899561994871 32.065 > 2 3 S 0.77152686086251 0.75000000000000 0.80100438005129 32.065 > 3 4 S 0.22847313913749 0.25000000000000 0.19899561994871 32.065 > 4 *5 S 0.37965312118294 0.25000000000000 0.94398752932954 32.065 > 5 6 S 0.62034687881706 0.75000000000000 0.05601247067046 32.065 > 6 7 S 0.12034687881706 0.75000000000000 0.44398752932954 32.065 > 7 8 S 0.87965312118294 0.25000000000000 0.55601247067046 32.065 > 8 *9 S 0.04523267426983 0.25000000000000 0.87437113642134 32.065 > 9 10 S 0.95476732573017 0.75000000000000 0.12562886357866 32.065 > 10 11 S 0.45476732573017 0.75000000000000 0.37437113642134 32.065 > 11 12 S 0.54523267426983 0.25000000000000 0.62562886357866 32.065 > 12 *13 Dy 0.80674079321415 0.25000000000000 0.99776802035862 162.500 > 13 14 Dy 0.19325920678585 0.75000000000000 0.00223197964138 162.500 > 14 15 Dy 0.69325920678585 0.75000000000000 0.49776802035862 162.500 > 15 16 Dy 0.30674079321415 0.25000000000000 0.50223197964138 162.500 > 16 *17 Dy 0.48926230131620 0.25000000000000 0.18673841971692 162.500 > 17 18 Dy 0.51073769868380 0.75000000000000 0.81326158028308 162.500 > 18 19 Dy 0.01073769868380 0.75000000000000 0.68673841971692 162.500 > 19 20 Dy 0.98926230131620 0.25000000000000 0.31326158028308 162.500 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.526607629999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.468668169999997 0.000000000000000 c 0.000000000000000 0.000000000000000 20.490457180000000 Atomic positions (fractional): *1 S 0.72847313913749 0.08333333333333 0.15050219002565 32.065 > 1 2 S 0.72847313913749 0.41666666666667 0.15050219002565 32.065 > 1 3 S 0.72847313913749 0.75000000000000 0.15050219002565 32.065 > 1 4 S 0.72847313913749 0.08333333333333 0.65050219002565 32.065 > 1 5 S 0.72847313913749 0.41666666666667 0.65050219002565 32.065 > 1 6 S 0.72847313913749 0.75000000000000 0.65050219002565 32.065 > 1 7 S 0.27152686086251 0.25000000000000 0.34949780997435 32.065 > 2 8 S 0.27152686086251 0.58333333333333 0.34949780997435 32.065 > 2 9 S 0.27152686086251 0.91666666666667 0.34949780997435 32.065 > 2 10 S 0.27152686086251 0.25000000000000 0.84949780997435 32.065 > 2 11 S 0.27152686086251 0.58333333333333 0.84949780997435 32.065 > 2 12 S 0.27152686086251 0.91666666666667 0.84949780997435 32.065 > 2 13 S 0.77152686086251 0.25000000000000 0.40050219002565 32.065 > 3 14 S 0.77152686086251 0.58333333333333 0.40050219002565 32.065 > 3 15 S 0.77152686086251 0.91666666666667 0.40050219002565 32.065 > 3 16 S 0.77152686086251 0.25000000000000 0.90050219002565 32.065 > 3 17 S 0.77152686086251 0.58333333333333 0.90050219002565 32.065 > 3 18 S 0.77152686086251 0.91666666666667 0.90050219002565 32.065 > 3 19 S 0.22847313913749 0.08333333333333 0.09949780997435 32.065 > 4 20 S 0.22847313913749 0.41666666666667 0.09949780997435 32.065 > 4 21 S 0.22847313913749 0.75000000000000 0.09949780997435 32.065 > 4 22 S 0.22847313913749 0.08333333333333 0.59949780997435 32.065 > 4 23 S 0.22847313913749 0.41666666666667 0.59949780997435 32.065 > 4 24 S 0.22847313913749 0.75000000000000 0.59949780997435 32.065 > 4 *25 S 0.37965312118294 0.08333333333333 0.47199376466477 32.065 > 5 26 S 0.37965312118294 0.41666666666667 0.47199376466477 32.065 > 5 27 S 0.37965312118294 0.75000000000000 0.47199376466477 32.065 > 5 28 S 0.37965312118294 0.08333333333333 0.97199376466477 32.065 > 5 29 S 0.37965312118294 0.41666666666667 0.97199376466477 32.065 > 5 30 S 0.37965312118294 0.75000000000000 0.97199376466477 32.065 > 5 31 S 0.62034687881706 0.25000000000000 0.02800623533523 32.065 > 6 32 S 0.62034687881706 0.58333333333333 0.02800623533523 32.065 > 6 33 S 0.62034687881706 0.91666666666667 0.02800623533523 32.065 > 6 34 S 0.62034687881706 0.25000000000000 0.52800623533523 32.065 > 6 35 S 0.62034687881706 0.58333333333333 0.52800623533523 32.065 > 6 36 S 0.62034687881706 0.91666666666667 0.52800623533523 32.065 > 6 37 S 0.12034687881706 0.25000000000000 0.22199376466477 32.065 > 7 38 S 0.12034687881706 0.58333333333333 0.22199376466477 32.065 > 7 39 S 0.12034687881706 0.91666666666667 0.22199376466477 32.065 > 7 40 S 0.12034687881706 0.25000000000000 0.72199376466477 32.065 > 7 41 S 0.12034687881706 0.58333333333333 0.72199376466477 32.065 > 7 42 S 0.12034687881706 0.91666666666667 0.72199376466477 32.065 > 7 43 S 0.87965312118294 0.08333333333333 0.27800623533523 32.065 > 8 44 S 0.87965312118294 0.41666666666667 0.27800623533523 32.065 > 8 45 S 0.87965312118294 0.75000000000000 0.27800623533523 32.065 > 8 46 S 0.87965312118294 0.08333333333333 0.77800623533523 32.065 > 8 47 S 0.87965312118294 0.41666666666667 0.77800623533523 32.065 > 8 48 S 0.87965312118294 0.75000000000000 0.77800623533523 32.065 > 8 *49 S 0.04523267426983 0.08333333333333 0.43718556821067 32.065 > 9 50 S 0.04523267426983 0.41666666666667 0.43718556821067 32.065 > 9 51 S 0.04523267426983 0.75000000000000 0.43718556821067 32.065 > 9 52 S 0.04523267426983 0.08333333333333 0.93718556821067 32.065 > 9 53 S 0.04523267426983 0.41666666666667 0.93718556821067 32.065 > 9 54 S 0.04523267426983 0.75000000000000 0.93718556821067 32.065 > 9 55 S 0.95476732573017 0.25000000000000 0.06281443178933 32.065 > 10 56 S 0.95476732573017 0.58333333333333 0.06281443178933 32.065 > 10 57 S 0.95476732573017 0.91666666666667 0.06281443178933 32.065 > 10 58 S 0.95476732573017 0.25000000000000 0.56281443178933 32.065 > 10 59 S 0.95476732573017 0.58333333333333 0.56281443178933 32.065 > 10 60 S 0.95476732573017 0.91666666666667 0.56281443178933 32.065 > 10 61 S 0.45476732573017 0.25000000000000 0.18718556821067 32.065 > 11 62 S 0.45476732573017 0.58333333333333 0.18718556821067 32.065 > 11 63 S 0.45476732573017 0.91666666666667 0.18718556821067 32.065 > 11 64 S 0.45476732573017 0.25000000000000 0.68718556821067 32.065 > 11 65 S 0.45476732573017 0.58333333333333 0.68718556821067 32.065 > 11 66 S 0.45476732573017 0.91666666666667 0.68718556821067 32.065 > 11 67 S 0.54523267426983 0.08333333333333 0.31281443178933 32.065 > 12 68 S 0.54523267426983 0.41666666666667 0.31281443178933 32.065 > 12 69 S 0.54523267426983 0.75000000000000 0.31281443178933 32.065 > 12 70 S 0.54523267426983 0.08333333333333 0.81281443178933 32.065 > 12 71 S 0.54523267426983 0.41666666666667 0.81281443178933 32.065 > 12 72 S 0.54523267426983 0.75000000000000 0.81281443178933 32.065 > 12 *73 Dy 0.80674079321415 0.08333333333333 0.49888401017931 162.500 > 13 74 Dy 0.80674079321415 0.41666666666667 0.49888401017931 162.500 > 13 75 Dy 0.80674079321415 0.75000000000000 0.49888401017931 162.500 > 13 76 Dy 0.80674079321415 0.08333333333333 0.99888401017931 162.500 > 13 77 Dy 0.80674079321415 0.41666666666667 0.99888401017931 162.500 > 13 78 Dy 0.80674079321415 0.75000000000000 0.99888401017931 162.500 > 13 79 Dy 0.19325920678585 0.25000000000000 0.00111598982069 162.500 > 14 80 Dy 0.19325920678585 0.58333333333333 0.00111598982069 162.500 > 14 81 Dy 0.19325920678585 0.91666666666667 0.00111598982069 162.500 > 14 82 Dy 0.19325920678585 0.25000000000000 0.50111598982069 162.500 > 14 83 Dy 0.19325920678585 0.58333333333333 0.50111598982069 162.500 > 14 84 Dy 0.19325920678585 0.91666666666667 0.50111598982069 162.500 > 14 85 Dy 0.69325920678585 0.25000000000000 0.24888401017931 162.500 > 15 86 Dy 0.69325920678585 0.58333333333333 0.24888401017931 162.500 > 15 87 Dy 0.69325920678585 0.91666666666667 0.24888401017931 162.500 > 15 88 Dy 0.69325920678585 0.25000000000000 0.74888401017931 162.500 > 15 89 Dy 0.69325920678585 0.58333333333333 0.74888401017931 162.500 > 15 90 Dy 0.69325920678585 0.91666666666667 0.74888401017931 162.500 > 15 91 Dy 0.30674079321415 0.08333333333333 0.25111598982069 162.500 > 16 92 Dy 0.30674079321415 0.41666666666667 0.25111598982069 162.500 > 16 93 Dy 0.30674079321415 0.75000000000000 0.25111598982069 162.500 > 16 94 Dy 0.30674079321415 0.08333333333333 0.75111598982069 162.500 > 16 95 Dy 0.30674079321415 0.41666666666667 0.75111598982069 162.500 > 16 96 Dy 0.30674079321415 0.75000000000000 0.75111598982069 162.500 > 16 *97 Dy 0.48926230131620 0.08333333333333 0.09336920985846 162.500 > 17 98 Dy 0.48926230131620 0.41666666666667 0.09336920985846 162.500 > 17 99 Dy 0.48926230131620 0.75000000000000 0.09336920985846 162.500 > 17 100 Dy 0.48926230131620 0.08333333333333 0.59336920985846 162.500 > 17 101 Dy 0.48926230131620 0.41666666666667 0.59336920985846 162.500 > 17 102 Dy 0.48926230131620 0.75000000000000 0.59336920985846 162.500 > 17 103 Dy 0.51073769868380 0.25000000000000 0.40663079014154 162.500 > 18 104 Dy 0.51073769868380 0.58333333333333 0.40663079014154 162.500 > 18 105 Dy 0.51073769868380 0.91666666666667 0.40663079014154 162.500 > 18 106 Dy 0.51073769868380 0.25000000000000 0.90663079014154 162.500 > 18 107 Dy 0.51073769868380 0.58333333333333 0.90663079014154 162.500 > 18 108 Dy 0.51073769868380 0.91666666666667 0.90663079014154 162.500 > 18 109 Dy 0.01073769868380 0.25000000000000 0.34336920985846 162.500 > 19 110 Dy 0.01073769868380 0.58333333333333 0.34336920985846 162.500 > 19 111 Dy 0.01073769868380 0.91666666666667 0.34336920985846 162.500 > 19 112 Dy 0.01073769868380 0.25000000000000 0.84336920985846 162.500 > 19 113 Dy 0.01073769868380 0.58333333333333 0.84336920985846 162.500 > 19 114 Dy 0.01073769868380 0.91666666666667 0.84336920985846 162.500 > 19 115 Dy 0.98926230131620 0.08333333333333 0.15663079014154 162.500 > 20 116 Dy 0.98926230131620 0.41666666666667 0.15663079014154 162.500 > 20 117 Dy 0.98926230131620 0.75000000000000 0.15663079014154 162.500 > 20 118 Dy 0.98926230131620 0.08333333333333 0.65663079014154 162.500 > 20 119 Dy 0.98926230131620 0.41666666666667 0.65663079014154 162.500 > 20 120 Dy 0.98926230131620 0.75000000000000 0.65663079014154 162.500 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.0485570 0.0000000 0.0000000 0.0000000 8.9656353 0.0000000 0.0000000 0.0000000 9.2502974 -------------------------- Born effective charges -------------------------- 1 S -3.1329790 0.0000000 -0.0548045 0.0000000 -2.1682435 0.0000000 -0.0449499 0.0000000 -2.8298060 2 S -3.1329790 0.0000000 -0.0548045 0.0000000 -2.1682435 0.0000000 -0.0449499 0.0000000 -2.8298060 3 S -3.1329790 0.0000000 0.0548045 0.0000000 -2.1682435 0.0000000 0.0449499 0.0000000 -2.8298060 4 S -3.1329790 0.0000000 0.0548045 0.0000000 -2.1682435 0.0000000 0.0449499 0.0000000 -2.8298060 5 S -2.4222426 0.0000000 0.4107745 0.0000000 -2.7738500 0.0000000 0.4048632 0.0000000 -2.1640137 6 S -2.4222426 0.0000000 0.4107745 0.0000000 -2.7738500 0.0000000 0.4048632 0.0000000 -2.1640137 7 S -2.4222426 0.0000000 -0.4107745 0.0000000 -2.7738500 0.0000000 -0.4048632 0.0000000 -2.1640137 8 S -2.4222426 0.0000000 -0.4107745 0.0000000 -2.7738500 0.0000000 -0.4048632 0.0000000 -2.1640137 9 S -2.2409775 0.0000000 -0.6356212 0.0000000 -3.0481235 0.0000000 -0.2562943 0.0000000 -2.5840926 10 S -2.2409775 0.0000000 -0.6356212 0.0000000 -3.0481235 0.0000000 -0.2562943 0.0000000 -2.5840926 11 S -2.2409775 0.0000000 0.6356212 0.0000000 -3.0481235 0.0000000 0.2562943 0.0000000 -2.5840926 12 S -2.2409775 0.0000000 0.6356212 0.0000000 -3.0481235 0.0000000 0.2562943 0.0000000 -2.5840926 13 Dy 3.5030480 0.0000000 0.0478099 0.0000000 4.2647140 0.0000000 -0.2230088 0.0000000 3.6341893 14 Dy 3.5030480 0.0000000 0.0478099 0.0000000 4.2647140 0.0000000 -0.2230088 0.0000000 3.6341893 15 Dy 3.5030480 0.0000000 -0.0478099 0.0000000 4.2647140 0.0000000 0.2230088 0.0000000 3.6341893 16 Dy 3.5030480 0.0000000 -0.0478099 0.0000000 4.2647140 0.0000000 0.2230088 0.0000000 3.6341893 17 Dy 4.2931510 0.0000000 -0.3104503 0.0000000 3.7255030 0.0000000 0.4160407 0.0000000 3.9437230 18 Dy 4.2931510 0.0000000 -0.3104503 0.0000000 3.7255030 0.0000000 0.4160407 0.0000000 3.9437230 19 Dy 4.2931510 0.0000000 0.3104503 0.0000000 3.7255030 0.0000000 -0.4160407 0.0000000 3.9437230 20 Dy 4.2931510 0.0000000 0.3104503 0.0000000 3.7255030 0.0000000 -0.4160407 0.0000000 3.9437230 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1490 Number of blocks in projector: 1490 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.082 Solver_block: 200 / 320 - Time: 2.095 Solver_block: 300 / 320 - Time: 2.095 Solver_block: 320 / 320 - Time: 0.516 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.820 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1490 Number of blocks in projector: 1490 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 2026-01-07 18:47:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:47:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.526607629999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.822889389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.245228590000000 Atomic positions (fractional): 1 S 0.72847313913749 0.25000000000000 0.30100438005129 32.065 2 S 0.27152686086251 0.75000000000000 0.69899561994871 32.065 3 S 0.77152686086251 0.75000000000000 0.80100438005129 32.065 4 S 0.22847313913749 0.25000000000000 0.19899561994871 32.065 5 S 0.37965312118294 0.25000000000000 0.94398752932954 32.065 6 S 0.62034687881706 0.75000000000000 0.05601247067046 32.065 7 S 0.12034687881706 0.75000000000000 0.44398752932954 32.065 8 S 0.87965312118294 0.25000000000000 0.55601247067046 32.065 9 S 0.04523267426983 0.25000000000000 0.87437113642134 32.065 10 S 0.95476732573017 0.75000000000000 0.12562886357866 32.065 11 S 0.45476732573017 0.75000000000000 0.37437113642134 32.065 12 S 0.54523267426983 0.25000000000000 0.62562886357866 32.065 13 Dy 0.80674079321415 0.25000000000000 0.99776802035862 162.500 14 Dy 0.19325920678585 0.75000000000000 0.00223197964138 162.500 15 Dy 0.69325920678585 0.75000000000000 0.49776802035862 162.500 16 Dy 0.30674079321415 0.25000000000000 0.50223197964138 162.500 17 Dy 0.48926230131620 0.25000000000000 0.18673841971692 162.500 18 Dy 0.51073769868380 0.75000000000000 0.81326158028308 162.500 19 Dy 0.01073769868380 0.75000000000000 0.68673841971692 162.500 20 Dy 0.98926230131620 0.25000000000000 0.31326158028308 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.526607629999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.468668169999997 0.000000000000000 c 0.000000000000000 0.000000000000000 20.490457180000000 Atomic positions (fractional): 1 S 0.72847313913749 0.08333333333333 0.15050219002565 32.065 > 1 2 S 0.72847313913749 0.41666666666667 0.15050219002565 32.065 > 1 3 S 0.72847313913749 0.75000000000000 0.15050219002565 32.065 > 1 4 S 0.72847313913749 0.08333333333333 0.65050219002565 32.065 > 1 5 S 0.72847313913749 0.41666666666667 0.65050219002565 32.065 > 1 6 S 0.72847313913749 0.75000000000000 0.65050219002565 32.065 > 1 7 S 0.27152686086251 0.25000000000000 0.34949780997435 32.065 > 7 8 S 0.27152686086251 0.58333333333333 0.34949780997435 32.065 > 7 9 S 0.27152686086251 0.91666666666667 0.34949780997435 32.065 > 7 10 S 0.27152686086251 0.25000000000000 0.84949780997435 32.065 > 7 11 S 0.27152686086251 0.58333333333333 0.84949780997435 32.065 > 7 12 S 0.27152686086251 0.91666666666667 0.84949780997435 32.065 > 7 13 S 0.77152686086251 0.25000000000000 0.40050219002565 32.065 > 13 14 S 0.77152686086251 0.58333333333333 0.40050219002565 32.065 > 13 15 S 0.77152686086251 0.91666666666667 0.40050219002565 32.065 > 13 16 S 0.77152686086251 0.25000000000000 0.90050219002565 32.065 > 13 17 S 0.77152686086251 0.58333333333333 0.90050219002565 32.065 > 13 18 S 0.77152686086251 0.91666666666667 0.90050219002565 32.065 > 13 19 S 0.22847313913749 0.08333333333333 0.09949780997435 32.065 > 19 20 S 0.22847313913749 0.41666666666667 0.09949780997435 32.065 > 19 21 S 0.22847313913749 0.75000000000000 0.09949780997435 32.065 > 19 22 S 0.22847313913749 0.08333333333333 0.59949780997435 32.065 > 19 23 S 0.22847313913749 0.41666666666667 0.59949780997435 32.065 > 19 24 S 0.22847313913749 0.75000000000000 0.59949780997435 32.065 > 19 25 S 0.37965312118294 0.08333333333333 0.47199376466477 32.065 > 25 26 S 0.37965312118294 0.41666666666667 0.47199376466477 32.065 > 25 27 S 0.37965312118294 0.75000000000000 0.47199376466477 32.065 > 25 28 S 0.37965312118294 0.08333333333333 0.97199376466477 32.065 > 25 29 S 0.37965312118294 0.41666666666667 0.97199376466477 32.065 > 25 30 S 0.37965312118294 0.75000000000000 0.97199376466477 32.065 > 25 31 S 0.62034687881706 0.25000000000000 0.02800623533523 32.065 > 31 32 S 0.62034687881706 0.58333333333333 0.02800623533523 32.065 > 31 33 S 0.62034687881706 0.91666666666667 0.02800623533523 32.065 > 31 34 S 0.62034687881706 0.25000000000000 0.52800623533523 32.065 > 31 35 S 0.62034687881706 0.58333333333333 0.52800623533523 32.065 > 31 36 S 0.62034687881706 0.91666666666667 0.52800623533523 32.065 > 31 37 S 0.12034687881706 0.25000000000000 0.22199376466477 32.065 > 37 38 S 0.12034687881706 0.58333333333333 0.22199376466477 32.065 > 37 39 S 0.12034687881706 0.91666666666667 0.22199376466477 32.065 > 37 40 S 0.12034687881706 0.25000000000000 0.72199376466477 32.065 > 37 41 S 0.12034687881706 0.58333333333333 0.72199376466477 32.065 > 37 42 S 0.12034687881706 0.91666666666667 0.72199376466477 32.065 > 37 43 S 0.87965312118294 0.08333333333333 0.27800623533523 32.065 > 43 44 S 0.87965312118294 0.41666666666667 0.27800623533523 32.065 > 43 45 S 0.87965312118294 0.75000000000000 0.27800623533523 32.065 > 43 46 S 0.87965312118294 0.08333333333333 0.77800623533523 32.065 > 43 47 S 0.87965312118294 0.41666666666667 0.77800623533523 32.065 > 43 48 S 0.87965312118294 0.75000000000000 0.77800623533523 32.065 > 43 49 S 0.04523267426983 0.08333333333333 0.43718556821067 32.065 > 49 50 S 0.04523267426983 0.41666666666667 0.43718556821067 32.065 > 49 51 S 0.04523267426983 0.75000000000000 0.43718556821067 32.065 > 49 52 S 0.04523267426983 0.08333333333333 0.93718556821067 32.065 > 49 53 S 0.04523267426983 0.41666666666667 0.93718556821067 32.065 > 49 54 S 0.04523267426983 0.75000000000000 0.93718556821067 32.065 > 49 55 S 0.95476732573017 0.25000000000000 0.06281443178933 32.065 > 55 56 S 0.95476732573017 0.58333333333333 0.06281443178933 32.065 > 55 57 S 0.95476732573017 0.91666666666667 0.06281443178933 32.065 > 55 58 S 0.95476732573017 0.25000000000000 0.56281443178933 32.065 > 55 59 S 0.95476732573017 0.58333333333333 0.56281443178933 32.065 > 55 60 S 0.95476732573017 0.91666666666667 0.56281443178933 32.065 > 55 61 S 0.45476732573017 0.25000000000000 0.18718556821067 32.065 > 61 62 S 0.45476732573017 0.58333333333333 0.18718556821067 32.065 > 61 63 S 0.45476732573017 0.91666666666667 0.18718556821067 32.065 > 61 64 S 0.45476732573017 0.25000000000000 0.68718556821067 32.065 > 61 65 S 0.45476732573017 0.58333333333333 0.68718556821067 32.065 > 61 66 S 0.45476732573017 0.91666666666667 0.68718556821067 32.065 > 61 67 S 0.54523267426983 0.08333333333333 0.31281443178933 32.065 > 67 68 S 0.54523267426983 0.41666666666667 0.31281443178933 32.065 > 67 69 S 0.54523267426983 0.75000000000000 0.31281443178933 32.065 > 67 70 S 0.54523267426983 0.08333333333333 0.81281443178933 32.065 > 67 71 S 0.54523267426983 0.41666666666667 0.81281443178933 32.065 > 67 72 S 0.54523267426983 0.75000000000000 0.81281443178933 32.065 > 67 73 Dy 0.80674079321415 0.08333333333333 0.49888401017931 162.500 > 73 74 Dy 0.80674079321415 0.41666666666667 0.49888401017931 162.500 > 73 75 Dy 0.80674079321415 0.75000000000000 0.49888401017931 162.500 > 73 76 Dy 0.80674079321415 0.08333333333333 0.99888401017931 162.500 > 73 77 Dy 0.80674079321415 0.41666666666667 0.99888401017931 162.500 > 73 78 Dy 0.80674079321415 0.75000000000000 0.99888401017931 162.500 > 73 79 Dy 0.19325920678585 0.25000000000000 0.00111598982069 162.500 > 79 80 Dy 0.19325920678585 0.58333333333333 0.00111598982069 162.500 > 79 81 Dy 0.19325920678585 0.91666666666667 0.00111598982069 162.500 > 79 82 Dy 0.19325920678585 0.25000000000000 0.50111598982069 162.500 > 79 83 Dy 0.19325920678585 0.58333333333333 0.50111598982069 162.500 > 79 84 Dy 0.19325920678585 0.91666666666667 0.50111598982069 162.500 > 79 85 Dy 0.69325920678585 0.25000000000000 0.24888401017931 162.500 > 85 86 Dy 0.69325920678585 0.58333333333333 0.24888401017931 162.500 > 85 87 Dy 0.69325920678585 0.91666666666667 0.24888401017931 162.500 > 85 88 Dy 0.69325920678585 0.25000000000000 0.74888401017931 162.500 > 85 89 Dy 0.69325920678585 0.58333333333333 0.74888401017931 162.500 > 85 90 Dy 0.69325920678585 0.91666666666667 0.74888401017931 162.500 > 85 91 Dy 0.30674079321415 0.08333333333333 0.25111598982069 162.500 > 91 92 Dy 0.30674079321415 0.41666666666667 0.25111598982069 162.500 > 91 93 Dy 0.30674079321415 0.75000000000000 0.25111598982069 162.500 > 91 94 Dy 0.30674079321415 0.08333333333333 0.75111598982069 162.500 > 91 95 Dy 0.30674079321415 0.41666666666667 0.75111598982069 162.500 > 91 96 Dy 0.30674079321415 0.75000000000000 0.75111598982069 162.500 > 91 97 Dy 0.48926230131620 0.08333333333333 0.09336920985846 162.500 > 97 98 Dy 0.48926230131620 0.41666666666667 0.09336920985846 162.500 > 97 99 Dy 0.48926230131620 0.75000000000000 0.09336920985846 162.500 > 97 100 Dy 0.48926230131620 0.08333333333333 0.59336920985846 162.500 > 97 101 Dy 0.48926230131620 0.41666666666667 0.59336920985846 162.500 > 97 102 Dy 0.48926230131620 0.75000000000000 0.59336920985846 162.500 > 97 103 Dy 0.51073769868380 0.25000000000000 0.40663079014154 162.500 > 103 104 Dy 0.51073769868380 0.58333333333333 0.40663079014154 162.500 > 103 105 Dy 0.51073769868380 0.91666666666667 0.40663079014154 162.500 > 103 106 Dy 0.51073769868380 0.25000000000000 0.90663079014154 162.500 > 103 107 Dy 0.51073769868380 0.58333333333333 0.90663079014154 162.500 > 103 108 Dy 0.51073769868380 0.91666666666667 0.90663079014154 162.500 > 103 109 Dy 0.01073769868380 0.25000000000000 0.34336920985846 162.500 > 109 110 Dy 0.01073769868380 0.58333333333333 0.34336920985846 162.500 > 109 111 Dy 0.01073769868380 0.91666666666667 0.34336920985846 162.500 > 109 112 Dy 0.01073769868380 0.25000000000000 0.84336920985846 162.500 > 109 113 Dy 0.01073769868380 0.58333333333333 0.84336920985846 162.500 > 109 114 Dy 0.01073769868380 0.91666666666667 0.84336920985846 162.500 > 109 115 Dy 0.98926230131620 0.08333333333333 0.15663079014154 162.500 > 115 116 Dy 0.98926230131620 0.41666666666667 0.15663079014154 162.500 > 115 117 Dy 0.98926230131620 0.75000000000000 0.15663079014154 162.500 > 115 118 Dy 0.98926230131620 0.08333333333333 0.65663079014154 162.500 > 115 119 Dy 0.98926230131620 0.41666666666667 0.65663079014154 162.500 > 115 120 Dy 0.98926230131620 0.75000000000000 0.65663079014154 162.500 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.0485570 0.0000000 0.0000000 0.0000000 8.9656353 0.0000000 0.0000000 0.0000000 9.2502974 -------------------------- Born effective charges -------------------------- 1 S -3.1329790 0.0000000 -0.0548045 0.0000000 -2.1682435 0.0000000 -0.0449499 0.0000000 -2.8298060 2 S -3.1329790 0.0000000 -0.0548045 0.0000000 -2.1682435 0.0000000 -0.0449499 0.0000000 -2.8298060 3 S -3.1329790 0.0000000 0.0548045 0.0000000 -2.1682435 0.0000000 0.0449499 0.0000000 -2.8298060 4 S -3.1329790 0.0000000 0.0548045 0.0000000 -2.1682435 0.0000000 0.0449499 0.0000000 -2.8298060 5 S -2.4222426 0.0000000 0.4107745 0.0000000 -2.7738500 0.0000000 0.4048632 0.0000000 -2.1640137 6 S -2.4222426 0.0000000 0.4107745 0.0000000 -2.7738500 0.0000000 0.4048632 0.0000000 -2.1640137 7 S -2.4222426 0.0000000 -0.4107745 0.0000000 -2.7738500 0.0000000 -0.4048632 0.0000000 -2.1640137 8 S -2.4222426 0.0000000 -0.4107745 0.0000000 -2.7738500 0.0000000 -0.4048632 0.0000000 -2.1640137 9 S -2.2409775 0.0000000 -0.6356212 0.0000000 -3.0481235 0.0000000 -0.2562943 0.0000000 -2.5840926 10 S -2.2409775 0.0000000 -0.6356212 0.0000000 -3.0481235 0.0000000 -0.2562943 0.0000000 -2.5840926 11 S -2.2409775 0.0000000 0.6356212 0.0000000 -3.0481235 0.0000000 0.2562943 0.0000000 -2.5840926 12 S -2.2409775 0.0000000 0.6356212 0.0000000 -3.0481235 0.0000000 0.2562943 0.0000000 -2.5840926 13 Dy 3.5030480 0.0000000 0.0478099 0.0000000 4.2647140 0.0000000 -0.2230088 0.0000000 3.6341893 14 Dy 3.5030480 0.0000000 0.0478099 0.0000000 4.2647140 0.0000000 -0.2230088 0.0000000 3.6341893 15 Dy 3.5030480 0.0000000 -0.0478099 0.0000000 4.2647140 0.0000000 0.2230088 0.0000000 3.6341893 16 Dy 3.5030480 0.0000000 -0.0478099 0.0000000 4.2647140 0.0000000 0.2230088 0.0000000 3.6341893 17 Dy 4.2931510 0.0000000 -0.3104503 0.0000000 3.7255030 0.0000000 0.4160407 0.0000000 3.9437230 18 Dy 4.2931510 0.0000000 -0.3104503 0.0000000 3.7255030 0.0000000 0.4160407 0.0000000 3.9437230 19 Dy 4.2931510 0.0000000 0.3104503 0.0000000 3.7255030 0.0000000 -0.4160407 0.0000000 3.9437230 20 Dy 4.2931510 0.0000000 0.3104503 0.0000000 3.7255030 0.0000000 -0.4160407 0.0000000 3.9437230 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yxy) 0.00000000 (yxy) 0.00000000 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:48:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:48:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.526607629999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.822889389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.245228590000000 Atomic positions (fractional): 1 S 0.72847313913749 0.25000000000000 0.30100438005129 32.065 2 S 0.27152686086251 0.75000000000000 0.69899561994871 32.065 3 S 0.77152686086251 0.75000000000000 0.80100438005129 32.065 4 S 0.22847313913749 0.25000000000000 0.19899561994871 32.065 5 S 0.37965312118294 0.25000000000000 0.94398752932954 32.065 6 S 0.62034687881706 0.75000000000000 0.05601247067046 32.065 7 S 0.12034687881706 0.75000000000000 0.44398752932954 32.065 8 S 0.87965312118294 0.25000000000000 0.55601247067046 32.065 9 S 0.04523267426983 0.25000000000000 0.87437113642134 32.065 10 S 0.95476732573017 0.75000000000000 0.12562886357866 32.065 11 S 0.45476732573017 0.75000000000000 0.37437113642134 32.065 12 S 0.54523267426983 0.25000000000000 0.62562886357866 32.065 13 Dy 0.80674079321415 0.25000000000000 0.99776802035862 162.500 14 Dy 0.19325920678585 0.75000000000000 0.00223197964138 162.500 15 Dy 0.69325920678585 0.75000000000000 0.49776802035862 162.500 16 Dy 0.30674079321415 0.25000000000000 0.50223197964138 162.500 17 Dy 0.48926230131620 0.25000000000000 0.18673841971692 162.500 18 Dy 0.51073769868380 0.75000000000000 0.81326158028308 162.500 19 Dy 0.01073769868380 0.75000000000000 0.68673841971692 162.500 20 Dy 0.98926230131620 0.25000000000000 0.31326158028308 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.526607629999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.468668169999997 0.000000000000000 c 0.000000000000000 0.000000000000000 20.490457180000000 Atomic positions (fractional): 1 S 0.72847313913749 0.08333333333333 0.15050219002565 32.065 > 1 2 S 0.72847313913749 0.41666666666667 0.15050219002565 32.065 > 1 3 S 0.72847313913749 0.75000000000000 0.15050219002565 32.065 > 1 4 S 0.72847313913749 0.08333333333333 0.65050219002565 32.065 > 1 5 S 0.72847313913749 0.41666666666667 0.65050219002565 32.065 > 1 6 S 0.72847313913749 0.75000000000000 0.65050219002565 32.065 > 1 7 S 0.27152686086251 0.25000000000000 0.34949780997435 32.065 > 7 8 S 0.27152686086251 0.58333333333333 0.34949780997435 32.065 > 7 9 S 0.27152686086251 0.91666666666667 0.34949780997435 32.065 > 7 10 S 0.27152686086251 0.25000000000000 0.84949780997435 32.065 > 7 11 S 0.27152686086251 0.58333333333333 0.84949780997435 32.065 > 7 12 S 0.27152686086251 0.91666666666667 0.84949780997435 32.065 > 7 13 S 0.77152686086251 0.25000000000000 0.40050219002565 32.065 > 13 14 S 0.77152686086251 0.58333333333333 0.40050219002565 32.065 > 13 15 S 0.77152686086251 0.91666666666667 0.40050219002565 32.065 > 13 16 S 0.77152686086251 0.25000000000000 0.90050219002565 32.065 > 13 17 S 0.77152686086251 0.58333333333333 0.90050219002565 32.065 > 13 18 S 0.77152686086251 0.91666666666667 0.90050219002565 32.065 > 13 19 S 0.22847313913749 0.08333333333333 0.09949780997435 32.065 > 19 20 S 0.22847313913749 0.41666666666667 0.09949780997435 32.065 > 19 21 S 0.22847313913749 0.75000000000000 0.09949780997435 32.065 > 19 22 S 0.22847313913749 0.08333333333333 0.59949780997435 32.065 > 19 23 S 0.22847313913749 0.41666666666667 0.59949780997435 32.065 > 19 24 S 0.22847313913749 0.75000000000000 0.59949780997435 32.065 > 19 25 S 0.37965312118294 0.08333333333333 0.47199376466477 32.065 > 25 26 S 0.37965312118294 0.41666666666667 0.47199376466477 32.065 > 25 27 S 0.37965312118294 0.75000000000000 0.47199376466477 32.065 > 25 28 S 0.37965312118294 0.08333333333333 0.97199376466477 32.065 > 25 29 S 0.37965312118294 0.41666666666667 0.97199376466477 32.065 > 25 30 S 0.37965312118294 0.75000000000000 0.97199376466477 32.065 > 25 31 S 0.62034687881706 0.25000000000000 0.02800623533523 32.065 > 31 32 S 0.62034687881706 0.58333333333333 0.02800623533523 32.065 > 31 33 S 0.62034687881706 0.91666666666667 0.02800623533523 32.065 > 31 34 S 0.62034687881706 0.25000000000000 0.52800623533523 32.065 > 31 35 S 0.62034687881706 0.58333333333333 0.52800623533523 32.065 > 31 36 S 0.62034687881706 0.91666666666667 0.52800623533523 32.065 > 31 37 S 0.12034687881706 0.25000000000000 0.22199376466477 32.065 > 37 38 S 0.12034687881706 0.58333333333333 0.22199376466477 32.065 > 37 39 S 0.12034687881706 0.91666666666667 0.22199376466477 32.065 > 37 40 S 0.12034687881706 0.25000000000000 0.72199376466477 32.065 > 37 41 S 0.12034687881706 0.58333333333333 0.72199376466477 32.065 > 37 42 S 0.12034687881706 0.91666666666667 0.72199376466477 32.065 > 37 43 S 0.87965312118294 0.08333333333333 0.27800623533523 32.065 > 43 44 S 0.87965312118294 0.41666666666667 0.27800623533523 32.065 > 43 45 S 0.87965312118294 0.75000000000000 0.27800623533523 32.065 > 43 46 S 0.87965312118294 0.08333333333333 0.77800623533523 32.065 > 43 47 S 0.87965312118294 0.41666666666667 0.77800623533523 32.065 > 43 48 S 0.87965312118294 0.75000000000000 0.77800623533523 32.065 > 43 49 S 0.04523267426983 0.08333333333333 0.43718556821067 32.065 > 49 50 S 0.04523267426983 0.41666666666667 0.43718556821067 32.065 > 49 51 S 0.04523267426983 0.75000000000000 0.43718556821067 32.065 > 49 52 S 0.04523267426983 0.08333333333333 0.93718556821067 32.065 > 49 53 S 0.04523267426983 0.41666666666667 0.93718556821067 32.065 > 49 54 S 0.04523267426983 0.75000000000000 0.93718556821067 32.065 > 49 55 S 0.95476732573017 0.25000000000000 0.06281443178933 32.065 > 55 56 S 0.95476732573017 0.58333333333333 0.06281443178933 32.065 > 55 57 S 0.95476732573017 0.91666666666667 0.06281443178933 32.065 > 55 58 S 0.95476732573017 0.25000000000000 0.56281443178933 32.065 > 55 59 S 0.95476732573017 0.58333333333333 0.56281443178933 32.065 > 55 60 S 0.95476732573017 0.91666666666667 0.56281443178933 32.065 > 55 61 S 0.45476732573017 0.25000000000000 0.18718556821067 32.065 > 61 62 S 0.45476732573017 0.58333333333333 0.18718556821067 32.065 > 61 63 S 0.45476732573017 0.91666666666667 0.18718556821067 32.065 > 61 64 S 0.45476732573017 0.25000000000000 0.68718556821067 32.065 > 61 65 S 0.45476732573017 0.58333333333333 0.68718556821067 32.065 > 61 66 S 0.45476732573017 0.91666666666667 0.68718556821067 32.065 > 61 67 S 0.54523267426983 0.08333333333333 0.31281443178933 32.065 > 67 68 S 0.54523267426983 0.41666666666667 0.31281443178933 32.065 > 67 69 S 0.54523267426983 0.75000000000000 0.31281443178933 32.065 > 67 70 S 0.54523267426983 0.08333333333333 0.81281443178933 32.065 > 67 71 S 0.54523267426983 0.41666666666667 0.81281443178933 32.065 > 67 72 S 0.54523267426983 0.75000000000000 0.81281443178933 32.065 > 67 73 Dy 0.80674079321415 0.08333333333333 0.49888401017931 162.500 > 73 74 Dy 0.80674079321415 0.41666666666667 0.49888401017931 162.500 > 73 75 Dy 0.80674079321415 0.75000000000000 0.49888401017931 162.500 > 73 76 Dy 0.80674079321415 0.08333333333333 0.99888401017931 162.500 > 73 77 Dy 0.80674079321415 0.41666666666667 0.99888401017931 162.500 > 73 78 Dy 0.80674079321415 0.75000000000000 0.99888401017931 162.500 > 73 79 Dy 0.19325920678585 0.25000000000000 0.00111598982069 162.500 > 79 80 Dy 0.19325920678585 0.58333333333333 0.00111598982069 162.500 > 79 81 Dy 0.19325920678585 0.91666666666667 0.00111598982069 162.500 > 79 82 Dy 0.19325920678585 0.25000000000000 0.50111598982069 162.500 > 79 83 Dy 0.19325920678585 0.58333333333333 0.50111598982069 162.500 > 79 84 Dy 0.19325920678585 0.91666666666667 0.50111598982069 162.500 > 79 85 Dy 0.69325920678585 0.25000000000000 0.24888401017931 162.500 > 85 86 Dy 0.69325920678585 0.58333333333333 0.24888401017931 162.500 > 85 87 Dy 0.69325920678585 0.91666666666667 0.24888401017931 162.500 > 85 88 Dy 0.69325920678585 0.25000000000000 0.74888401017931 162.500 > 85 89 Dy 0.69325920678585 0.58333333333333 0.74888401017931 162.500 > 85 90 Dy 0.69325920678585 0.91666666666667 0.74888401017931 162.500 > 85 91 Dy 0.30674079321415 0.08333333333333 0.25111598982069 162.500 > 91 92 Dy 0.30674079321415 0.41666666666667 0.25111598982069 162.500 > 91 93 Dy 0.30674079321415 0.75000000000000 0.25111598982069 162.500 > 91 94 Dy 0.30674079321415 0.08333333333333 0.75111598982069 162.500 > 91 95 Dy 0.30674079321415 0.41666666666667 0.75111598982069 162.500 > 91 96 Dy 0.30674079321415 0.75000000000000 0.75111598982069 162.500 > 91 97 Dy 0.48926230131620 0.08333333333333 0.09336920985846 162.500 > 97 98 Dy 0.48926230131620 0.41666666666667 0.09336920985846 162.500 > 97 99 Dy 0.48926230131620 0.75000000000000 0.09336920985846 162.500 > 97 100 Dy 0.48926230131620 0.08333333333333 0.59336920985846 162.500 > 97 101 Dy 0.48926230131620 0.41666666666667 0.59336920985846 162.500 > 97 102 Dy 0.48926230131620 0.75000000000000 0.59336920985846 162.500 > 97 103 Dy 0.51073769868380 0.25000000000000 0.40663079014154 162.500 > 103 104 Dy 0.51073769868380 0.58333333333333 0.40663079014154 162.500 > 103 105 Dy 0.51073769868380 0.91666666666667 0.40663079014154 162.500 > 103 106 Dy 0.51073769868380 0.25000000000000 0.90663079014154 162.500 > 103 107 Dy 0.51073769868380 0.58333333333333 0.90663079014154 162.500 > 103 108 Dy 0.51073769868380 0.91666666666667 0.90663079014154 162.500 > 103 109 Dy 0.01073769868380 0.25000000000000 0.34336920985846 162.500 > 109 110 Dy 0.01073769868380 0.58333333333333 0.34336920985846 162.500 > 109 111 Dy 0.01073769868380 0.91666666666667 0.34336920985846 162.500 > 109 112 Dy 0.01073769868380 0.25000000000000 0.84336920985846 162.500 > 109 113 Dy 0.01073769868380 0.58333333333333 0.84336920985846 162.500 > 109 114 Dy 0.01073769868380 0.91666666666667 0.84336920985846 162.500 > 109 115 Dy 0.98926230131620 0.08333333333333 0.15663079014154 162.500 > 115 116 Dy 0.98926230131620 0.41666666666667 0.15663079014154 162.500 > 115 117 Dy 0.98926230131620 0.75000000000000 0.15663079014154 162.500 > 115 118 Dy 0.98926230131620 0.08333333333333 0.65663079014154 162.500 > 115 119 Dy 0.98926230131620 0.41666666666667 0.65663079014154 162.500 > 115 120 Dy 0.98926230131620 0.75000000000000 0.65663079014154 162.500 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.0485570 0.0000000 0.0000000 0.0000000 8.9656353 0.0000000 0.0000000 0.0000000 9.2502974 -------------------------- Born effective charges -------------------------- 1 S -3.1329790 0.0000000 -0.0548045 0.0000000 -2.1682435 0.0000000 -0.0449499 0.0000000 -2.8298060 2 S -3.1329790 0.0000000 -0.0548045 0.0000000 -2.1682435 0.0000000 -0.0449499 0.0000000 -2.8298060 3 S -3.1329790 0.0000000 0.0548045 0.0000000 -2.1682435 0.0000000 0.0449499 0.0000000 -2.8298060 4 S -3.1329790 0.0000000 0.0548045 0.0000000 -2.1682435 0.0000000 0.0449499 0.0000000 -2.8298060 5 S -2.4222426 0.0000000 0.4107745 0.0000000 -2.7738500 0.0000000 0.4048632 0.0000000 -2.1640137 6 S -2.4222426 0.0000000 0.4107745 0.0000000 -2.7738500 0.0000000 0.4048632 0.0000000 -2.1640137 7 S -2.4222426 0.0000000 -0.4107745 0.0000000 -2.7738500 0.0000000 -0.4048632 0.0000000 -2.1640137 8 S -2.4222426 0.0000000 -0.4107745 0.0000000 -2.7738500 0.0000000 -0.4048632 0.0000000 -2.1640137 9 S -2.2409775 0.0000000 -0.6356212 0.0000000 -3.0481235 0.0000000 -0.2562943 0.0000000 -2.5840926 10 S -2.2409775 0.0000000 -0.6356212 0.0000000 -3.0481235 0.0000000 -0.2562943 0.0000000 -2.5840926 11 S -2.2409775 0.0000000 0.6356212 0.0000000 -3.0481235 0.0000000 0.2562943 0.0000000 -2.5840926 12 S -2.2409775 0.0000000 0.6356212 0.0000000 -3.0481235 0.0000000 0.2562943 0.0000000 -2.5840926 13 Dy 3.5030480 0.0000000 0.0478099 0.0000000 4.2647140 0.0000000 -0.2230088 0.0000000 3.6341893 14 Dy 3.5030480 0.0000000 0.0478099 0.0000000 4.2647140 0.0000000 -0.2230088 0.0000000 3.6341893 15 Dy 3.5030480 0.0000000 -0.0478099 0.0000000 4.2647140 0.0000000 0.2230088 0.0000000 3.6341893 16 Dy 3.5030480 0.0000000 -0.0478099 0.0000000 4.2647140 0.0000000 0.2230088 0.0000000 3.6341893 17 Dy 4.2931510 0.0000000 -0.3104503 0.0000000 3.7255030 0.0000000 0.4160407 0.0000000 3.9437230 18 Dy 4.2931510 0.0000000 -0.3104503 0.0000000 3.7255030 0.0000000 0.4160407 0.0000000 3.9437230 19 Dy 4.2931510 0.0000000 0.3104503 0.0000000 3.7255030 0.0000000 -0.4160407 0.0000000 3.9437230 20 Dy 4.2931510 0.0000000 0.3104503 0.0000000 3.7255030 0.0000000 -0.4160407 0.0000000 3.9437230 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yxy) 0.00000000 (yxy) 0.00000000 (yyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 13 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: 0.56, Number of G-points: 293, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.979 ( 0.000 0.000 0.000) 0.000 1.989 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.667 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.550 ( 0.000 0.000 0.000) 0.000 3.572 ( 0.000 0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 4.160 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 4.914 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 6.276 ( 0.000 0.000 0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.530 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 0.000) 0.000 7.047 ( 0.000 0.000 0.000) 0.000 7.085 ( 0.000 0.000 0.000) 0.000 7.138 ( 0.000 0.000 0.000) 0.000 7.260 ( 0.000 0.000 0.000) 0.000 7.290 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 7.578 ( 0.000 0.000 0.000) 0.000 7.619 ( 0.000 0.000 0.000) 0.000 7.917 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 8.307 ( 0.000 0.000 0.000) 0.000 8.346 ( 0.000 0.000 0.000) 0.000 8.499 ( 0.000 0.000 0.000) 0.000 8.548 ( 0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 9.316 ( 0.000 0.000 0.000) 0.000 9.587 ( 0.000 0.000 0.000) 0.000 9.793 ( 0.000 0.000 0.000) 0.000 9.892 ( 0.000 0.000 0.000) 0.000 10.171 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 25.324 0.000 0.000) 25.324 0.510 ( 26.437 0.000 0.000) 26.437 0.949 ( 48.869 0.000 0.000) 48.869 1.707 ( 8.035 0.000 0.000) 8.035 1.728 ( -17.969 0.000 0.000) 17.969 1.805 ( -16.227 0.000 0.000) 16.227 2.143 ( 1.707 0.000 0.000) 1.707 2.306 ( -2.966 0.000 0.000) 2.966 2.357 ( -4.293 0.000 0.000) 4.293 2.385 ( -3.512 0.000 0.000) 3.512 2.465 ( -2.855 0.000 0.000) 2.855 2.479 ( 2.377 0.000 0.000) 2.377 2.522 ( 8.908 0.000 0.000) 8.908 2.604 ( 8.744 0.000 0.000) 8.744 2.646 ( -2.098 0.000 0.000) 2.098 2.825 ( -1.532 0.000 0.000) 1.532 3.245 ( -27.119 0.000 0.000) 27.119 3.336 ( 12.843 0.000 0.000) 12.843 3.523 ( -5.043 0.000 0.000) 5.043 3.793 ( 3.150 0.000 0.000) 3.150 3.811 ( 2.822 0.000 0.000) 2.822 3.956 ( -2.521 0.000 0.000) 2.521 4.214 ( 7.290 0.000 0.000) 7.290 4.700 ( -4.770 0.000 0.000) 4.770 4.925 ( 1.102 0.000 0.000) 1.102 5.015 ( -1.070 0.000 0.000) 1.070 5.270 ( 0.987 0.000 0.000) 0.987 5.348 ( -0.900 0.000 0.000) 0.900 5.474 ( -0.735 0.000 0.000) 0.735 5.640 ( 7.338 0.000 0.000) 7.338 5.645 ( -2.824 0.000 0.000) 2.824 6.135 ( -10.276 0.000 0.000) 10.276 6.418 ( 2.831 0.000 0.000) 2.831 6.564 ( 3.066 0.000 0.000) 3.066 6.898 ( -0.935 0.000 0.000) 0.935 6.970 ( -1.434 0.000 0.000) 1.434 7.095 ( 1.058 0.000 0.000) 1.058 7.145 ( 0.507 0.000 0.000) 0.507 7.240 ( -0.701 0.000 0.000) 0.701 7.290 ( 0.165 0.000 0.000) 0.165 7.404 ( 2.376 0.000 0.000) 2.376 7.426 ( -2.638 0.000 0.000) 2.638 7.442 ( -1.812 0.000 0.000) 1.812 7.584 ( 0.522 0.000 0.000) 0.522 7.617 ( -0.206 0.000 0.000) 0.206 7.655 ( 11.218 0.000 0.000) 11.218 7.865 ( -9.165 0.000 0.000) 9.165 7.926 ( 0.792 0.000 0.000) 0.792 7.962 ( -0.168 0.000 0.000) 0.168 8.193 ( -6.727 0.000 0.000) 6.727 8.317 ( 0.956 0.000 0.000) 0.956 8.361 ( 0.192 0.000 0.000) 0.192 8.656 ( 7.819 0.000 0.000) 7.819 8.806 ( 0.254 0.000 0.000) 0.254 9.285 ( 3.496 0.000 0.000) 3.496 9.336 ( 1.996 0.000 0.000) 1.996 9.609 ( -4.932 0.000 0.000) 4.932 9.739 ( -5.433 0.000 0.000) 5.433 9.953 ( 5.009 0.000 0.000) 5.009 10.159 ( -1.242 0.000 0.000) 1.242 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 23.050 0.000 0.000) 23.050 0.997 ( 24.673 0.000 0.000) 24.673 1.364 ( -20.132 0.000 0.000) 20.132 1.439 ( -21.628 0.000 0.000) 21.628 1.839 ( 43.521 0.000 0.000) 43.521 1.917 ( 13.506 0.000 0.000) 13.506 2.188 ( 2.861 0.000 0.000) 2.861 2.206 ( -14.742 0.000 0.000) 14.742 2.247 ( -3.217 0.000 0.000) 3.217 2.290 ( -1.956 0.000 0.000) 1.956 2.314 ( -3.419 0.000 0.000) 3.419 2.533 ( 3.168 0.000 0.000) 3.168 2.594 ( -3.141 0.000 0.000) 3.141 2.630 ( -36.796 0.000 0.000) 36.796 2.674 ( 6.735 0.000 0.000) 6.735 2.775 ( -3.860 0.000 0.000) 3.860 2.970 ( 20.869 0.000 0.000) 20.869 3.324 ( -15.383 0.000 0.000) 15.383 3.588 ( 12.897 0.000 0.000) 12.897 3.806 ( -8.649 0.000 0.000) 8.649 3.865 ( 2.116 0.000 0.000) 2.116 3.872 ( 0.674 0.000 0.000) 0.674 4.389 ( 9.970 0.000 0.000) 9.970 4.570 ( -8.601 0.000 0.000) 8.601 4.953 ( 1.764 0.000 0.000) 1.764 4.987 ( -1.744 0.000 0.000) 1.744 5.295 ( 1.552 0.000 0.000) 1.552 5.325 ( -1.498 0.000 0.000) 1.498 5.495 ( 2.819 0.000 0.000) 2.819 5.570 ( -4.566 0.000 0.000) 4.566 5.791 ( 8.267 0.000 0.000) 8.267 5.952 ( -8.829 0.000 0.000) 8.829 6.490 ( 4.340 0.000 0.000) 4.340 6.563 ( -2.689 0.000 0.000) 2.689 6.888 ( 0.308 0.000 0.000) 0.308 6.920 ( -2.952 0.000 0.000) 2.952 7.121 ( 1.525 0.000 0.000) 1.525 7.145 ( -0.712 0.000 0.000) 0.712 7.291 ( 5.201 0.000 0.000) 5.201 7.309 ( 2.120 0.000 0.000) 2.120 7.365 ( -3.431 0.000 0.000) 3.431 7.386 ( -4.097 0.000 0.000) 4.097 7.502 ( 7.230 0.000 0.000) 7.230 7.596 ( 0.748 0.000 0.000) 0.748 7.610 ( -0.597 0.000 0.000) 0.597 7.671 ( -10.236 0.000 0.000) 10.236 7.864 ( 10.493 0.000 0.000) 10.493 7.943 ( 0.882 0.000 0.000) 0.882 7.956 ( -0.515 0.000 0.000) 0.515 8.047 ( -8.654 0.000 0.000) 8.654 8.339 ( 1.229 0.000 0.000) 1.229 8.358 ( -0.631 0.000 0.000) 0.631 8.771 ( 3.745 0.000 0.000) 3.745 8.806 ( -0.486 0.000 0.000) 0.486 9.381 ( 5.204 0.000 0.000) 5.204 9.386 ( 2.907 0.000 0.000) 2.907 9.526 ( -2.196 0.000 0.000) 2.196 9.604 ( -7.896 0.000 0.000) 7.896 10.048 ( 4.591 0.000 0.000) 4.591 10.120 ( -2.929 0.000 0.000) 2.929 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 0.000 26.702 0.000) 26.702 0.569 ( 0.000 28.039 0.000) 28.039 0.975 ( 0.000 47.872 0.000) 47.872 1.643 ( 0.000 1.884 0.000) 1.884 1.909 ( 0.000 -3.555 0.000) 3.555 2.051 ( 0.000 5.823 0.000) 5.823 2.245 ( 0.000 0.896 0.000) 0.896 2.321 ( 0.000 15.176 0.000) 15.176 2.344 ( 0.000 -0.154 0.000) 0.154 2.413 ( 0.000 3.479 0.000) 3.479 2.453 ( 0.000 0.107 0.000) 0.107 2.455 ( 0.000 5.745 0.000) 5.745 2.607 ( 0.000 11.072 0.000) 11.072 2.692 ( 0.000 0.377 0.000) 0.377 2.743 ( 0.000 7.040 0.000) 7.040 2.887 ( 0.000 4.507 0.000) 4.507 3.193 ( 0.000 1.934 0.000) 1.934 3.592 ( 0.000 4.095 0.000) 4.095 3.617 ( 0.000 4.280 0.000) 4.280 3.722 ( 0.000 -4.052 0.000) 4.052 3.747 ( 0.000 -1.896 0.000) 1.896 3.928 ( 0.000 1.811 0.000) 1.811 4.114 ( 0.000 -4.212 0.000) 4.212 4.681 ( 0.000 -6.410 0.000) 6.410 4.987 ( 0.000 6.958 0.000) 6.958 5.056 ( 0.000 3.050 0.000) 3.050 5.389 ( 0.000 3.051 0.000) 3.051 5.468 ( 0.000 5.407 0.000) 5.407 5.525 ( 0.000 -0.416 0.000) 0.416 5.690 ( 0.000 1.761 0.000) 1.761 5.892 ( 0.000 1.444 0.000) 1.444 6.291 ( 0.000 1.443 0.000) 1.443 6.404 ( 0.000 -8.305 0.000) 8.305 6.410 ( 0.000 2.010 0.000) 2.010 6.543 ( 0.000 1.239 0.000) 1.239 6.961 ( 0.000 -1.475 0.000) 1.475 7.024 ( 0.000 -1.949 0.000) 1.949 7.063 ( 0.000 -1.871 0.000) 1.871 7.186 ( 0.000 -5.507 0.000) 5.507 7.195 ( 0.000 4.297 0.000) 4.297 7.333 ( 0.000 -2.763 0.000) 2.763 7.393 ( 0.000 -5.012 0.000) 5.012 7.449 ( 0.000 -0.878 0.000) 0.878 7.595 ( 0.000 0.748 0.000) 0.748 7.694 ( 0.000 12.446 0.000) 12.446 7.748 ( 0.000 10.085 0.000) 10.085 7.935 ( 0.000 -1.635 0.000) 1.635 7.956 ( 0.000 -0.842 0.000) 0.842 7.963 ( 0.000 3.870 0.000) 3.870 8.351 ( 0.000 -0.262 0.000) 0.262 8.364 ( 0.000 5.382 0.000) 5.382 8.523 ( 0.000 -2.481 0.000) 2.481 8.559 ( 0.000 5.881 0.000) 5.881 8.784 ( 0.000 -1.634 0.000) 1.634 9.276 ( 0.000 -3.783 0.000) 3.783 9.373 ( 0.000 -0.589 0.000) 0.589 9.547 ( 0.000 -3.774 0.000) 3.774 9.757 ( 0.000 -3.480 0.000) 3.480 9.866 ( 0.000 -2.448 0.000) 2.448 10.151 ( 0.000 -1.889 0.000) 1.889 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 15.402 20.282 0.000) 25.467 0.760 ( 18.181 19.961 0.000) 27.000 1.339 ( 32.874 32.953 0.000) 46.547 1.704 ( 4.909 1.012 0.000) 5.013 1.716 ( -14.702 0.199 0.000) 14.703 1.895 ( -12.448 7.606 0.000) 14.587 2.268 ( -1.296 7.278 0.000) 7.393 2.316 ( -4.038 0.758 0.000) 4.109 2.385 ( 1.198 3.920 0.000) 4.099 2.398 ( -2.245 3.764 0.000) 4.382 2.460 ( 1.329 1.852 0.000) 2.279 2.559 ( 3.612 6.537 0.000) 7.469 2.595 ( -0.426 0.623 0.000) 0.755 2.620 ( 3.792 9.235 0.000) 9.984 2.756 ( 2.828 8.127 0.000) 8.605 2.870 ( -1.448 4.301 0.000) 4.539 3.324 ( -24.638 7.646 0.000) 25.797 3.339 ( 12.014 0.644 0.000) 12.031 3.537 ( -6.831 0.880 0.000) 6.887 3.773 ( 4.677 -1.545 0.000) 4.925 3.783 ( 3.177 -2.338 0.000) 3.945 3.935 ( -4.281 -2.066 0.000) 4.754 4.184 ( 7.517 -2.629 0.000) 7.964 4.636 ( -4.590 -6.221 0.000) 7.730 4.997 ( 0.956 6.806 0.000) 6.872 5.054 ( -0.256 3.650 0.000) 3.659 5.384 ( -0.577 3.277 0.000) 3.328 5.400 ( -3.598 5.662 0.000) 6.708 5.548 ( -2.098 3.842 0.000) 4.378 5.661 ( -2.981 1.601 0.000) 3.384 5.724 ( 0.136 8.602 0.000) 8.603 6.132 ( -10.018 -0.597 0.000) 10.036 6.429 ( 2.361 1.274 0.000) 2.682 6.513 ( 4.675 -4.562 0.000) 6.532 6.789 ( 7.569 -7.603 0.000) 10.728 6.937 ( -2.322 -2.440 0.000) 3.368 7.073 ( 1.164 -1.946 0.000) 2.267 7.090 ( 5.087 -4.920 0.000) 7.077 7.185 ( 0.081 -4.293 0.000) 4.294 7.229 ( 3.956 3.077 0.000) 5.011 7.338 ( 3.683 -2.380 0.000) 4.385 7.389 ( -4.874 -4.124 0.000) 6.385 7.461 ( 2.347 -1.108 0.000) 2.595 7.636 ( 2.904 2.981 0.000) 4.162 7.711 ( 3.537 6.674 0.000) 7.554 7.752 ( 0.060 10.616 0.000) 10.616 7.824 ( -6.902 -1.753 0.000) 7.121 7.964 ( 0.093 3.229 0.000) 3.230 7.978 ( -0.999 2.508 0.000) 2.700 8.273 ( -12.661 2.246 0.000) 12.859 8.350 ( 0.149 -1.068 0.000) 1.078 8.364 ( -0.002 4.185 0.000) 4.185 8.763 ( 8.251 5.456 0.000) 9.892 8.800 ( 1.627 -0.275 0.000) 1.650 9.293 ( -1.494 0.353 0.000) 1.535 9.296 ( 2.013 -3.736 0.000) 4.244 9.558 ( -2.410 -4.048 0.000) 4.711 9.706 ( -5.154 -3.176 0.000) 6.054 9.912 ( 4.706 -3.375 0.000) 5.791 10.136 ( -1.565 -2.203 0.000) 2.702 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 18.393 11.182 0.000) 21.526 1.141 ( 20.907 13.269 0.000) 24.763 1.411 ( -16.984 4.941 0.000) 17.688 1.527 ( -18.946 8.449 0.000) 20.745 1.928 ( 11.525 1.198 0.000) 11.587 2.037 ( 36.539 18.172 0.000) 40.808 2.158 ( -10.665 -0.810 0.000) 10.696 2.264 ( -0.854 2.296 0.000) 2.450 2.321 ( -4.872 2.656 0.000) 5.549 2.387 ( -1.220 7.975 0.000) 8.068 2.388 ( 1.013 13.690 0.000) 13.727 2.590 ( 1.712 5.853 0.000) 6.098 2.627 ( -1.489 2.817 0.000) 3.186 2.715 ( -5.696 7.164 0.000) 9.153 2.783 ( -21.583 11.463 0.000) 24.438 2.825 ( -3.290 4.887 0.000) 5.891 2.992 ( 18.432 2.202 0.000) 18.563 3.325 ( -15.136 0.002 0.000) 15.136 3.576 ( 12.149 -1.064 0.000) 12.196 3.787 ( -9.777 -2.117 0.000) 10.004 3.843 ( 2.484 -1.955 0.000) 3.161 3.852 ( 1.980 -1.387 0.000) 2.418 4.346 ( 9.039 -4.123 0.000) 9.935 4.513 ( -8.062 -5.556 0.000) 9.791 5.020 ( 1.368 6.260 0.000) 6.408 5.043 ( -0.942 5.096 0.000) 5.182 5.364 ( -0.397 5.141 0.000) 5.156 5.370 ( -0.706 3.968 0.000) 4.031 5.529 ( 1.254 3.316 0.000) 3.545 5.587 ( -4.219 1.747 0.000) 4.566 5.822 ( 7.008 3.223 0.000) 7.714 5.962 ( -7.863 1.025 0.000) 7.930 6.488 ( 3.435 -0.026 0.000) 3.435 6.540 ( -1.350 -2.075 0.000) 2.475 6.847 ( 1.373 -3.446 0.000) 3.709 6.884 ( -2.726 -2.831 0.000) 3.930 7.107 ( 2.070 -1.496 0.000) 2.554 7.133 ( -0.181 -1.536 0.000) 1.546 7.217 ( 3.169 -5.363 0.000) 6.230 7.291 ( -3.790 -5.010 0.000) 6.282 7.329 ( 4.243 0.927 0.000) 4.343 7.405 ( -1.674 2.684 0.000) 3.163 7.492 ( 6.257 -0.207 0.000) 6.261 7.641 ( -6.015 -1.483 0.000) 6.195 7.722 ( -0.498 7.814 0.000) 7.830 7.742 ( -1.085 10.132 0.000) 10.190 7.845 ( 9.173 -0.581 0.000) 9.191 7.954 ( -1.164 1.503 0.000) 1.902 7.967 ( 0.327 2.203 0.000) 2.227 8.056 ( -10.250 0.431 0.000) 10.259 8.357 ( 0.417 -0.521 0.000) 0.668 8.363 ( -0.200 1.617 0.000) 1.630 8.836 ( 1.767 2.704 0.000) 3.230 8.849 ( 1.151 5.750 0.000) 5.864 9.343 ( 4.297 -3.203 0.000) 5.359 9.346 ( 2.735 -3.724 0.000) 4.620 9.500 ( -1.441 -2.401 0.000) 2.800 9.578 ( -7.509 -2.478 0.000) 7.908 10.010 ( 4.964 -3.550 0.000) 6.103 10.090 ( -3.364 -2.901 0.000) 4.442 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.000 25.035 0.000) 25.035 1.119 ( 0.000 26.326 0.000) 26.326 1.716 ( 0.000 5.296 0.000) 5.296 1.876 ( 0.000 0.482 0.000) 0.482 1.909 ( 0.000 44.029 0.000) 44.029 2.206 ( 0.000 9.177 0.000) 9.177 2.280 ( 0.000 3.023 0.000) 3.023 2.399 ( 0.000 5.470 0.000) 5.470 2.440 ( 0.000 -1.586 0.000) 1.586 2.494 ( 0.000 4.264 0.000) 4.264 2.597 ( 0.000 7.654 0.000) 7.654 2.621 ( 0.000 11.581 0.000) 11.581 2.724 ( 0.000 3.143 0.000) 3.143 2.865 ( 0.000 13.983 0.000) 13.983 2.930 ( 0.000 10.861 0.000) 10.861 3.001 ( 0.000 6.378 0.000) 6.378 3.291 ( 0.000 9.559 0.000) 9.559 3.598 ( 0.000 -7.660 0.000) 7.660 3.687 ( 0.000 -4.003 0.000) 4.003 3.709 ( 0.000 7.179 0.000) 7.179 3.726 ( 0.000 5.669 0.000) 5.669 3.992 ( 0.000 4.269 0.000) 4.269 4.014 ( 0.000 -4.721 0.000) 4.721 4.492 ( 0.000 -12.136 0.000) 12.136 5.149 ( 0.000 6.208 0.000) 6.208 5.171 ( 0.000 10.566 0.000) 10.566 5.469 ( 0.000 4.526 0.000) 4.526 5.526 ( 0.000 0.690 0.000) 0.690 5.612 ( 0.000 8.429 0.000) 8.429 5.739 ( 0.000 2.963 0.000) 2.963 5.926 ( 0.000 1.816 0.000) 1.816 6.192 ( 0.000 -11.731 0.000) 11.731 6.333 ( 0.000 2.710 0.000) 2.710 6.472 ( 0.000 4.054 0.000) 4.054 6.573 ( 0.000 1.473 0.000) 1.473 6.928 ( 0.000 -2.029 0.000) 2.029 6.991 ( 0.000 -0.699 0.000) 0.699 7.031 ( 0.000 -0.656 0.000) 0.656 7.085 ( 0.000 -4.107 0.000) 4.107 7.282 ( 0.000 -5.565 0.000) 5.565 7.304 ( 0.000 5.891 0.000) 5.891 7.316 ( 0.000 0.261 0.000) 0.261 7.425 ( 0.000 -1.218 0.000) 1.218 7.562 ( 0.000 -4.374 0.000) 4.374 7.929 ( 0.000 10.412 0.000) 10.412 7.931 ( 0.000 -1.647 0.000) 1.647 7.946 ( 0.000 7.057 0.000) 7.057 7.949 ( 0.000 3.247 0.000) 3.247 8.058 ( 0.000 6.776 0.000) 6.776 8.324 ( 0.000 -2.331 0.000) 2.331 8.452 ( 0.000 -4.446 0.000) 4.446 8.502 ( 0.000 7.580 0.000) 7.580 8.707 ( 0.000 7.807 0.000) 7.807 8.754 ( 0.000 -0.813 0.000) 0.813 9.176 ( 0.000 -5.778 0.000) 5.778 9.349 ( 0.000 -1.885 0.000) 1.885 9.454 ( 0.000 -4.748 0.000) 4.748 9.663 ( 0.000 -5.413 0.000) 5.413 9.803 ( 0.000 -3.575 0.000) 3.575 10.099 ( 0.000 -3.175 0.000) 3.175 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 7.184 23.372 0.000) 24.451 1.201 ( 12.463 22.628 0.000) 25.833 1.756 ( -9.454 4.229 0.000) 10.357 1.765 ( 4.721 4.955 0.000) 6.843 2.084 ( -10.922 10.812 0.000) 15.369 2.088 ( 17.232 38.022 0.000) 41.744 2.311 ( -3.960 0.850 0.000) 4.050 2.369 ( -2.835 4.803 0.000) 5.577 2.449 ( 1.994 0.754 0.000) 2.132 2.482 ( 2.150 5.215 0.000) 5.641 2.585 ( 0.036 3.614 0.000) 3.614 2.709 ( 6.534 7.656 0.000) 10.065 2.722 ( 0.446 12.679 0.000) 12.687 2.862 ( 0.091 13.805 0.000) 13.805 2.929 ( 1.060 7.910 0.000) 7.980 2.998 ( -0.345 9.337 0.000) 9.343 3.391 ( 8.547 5.836 0.000) 10.350 3.513 ( -10.061 -0.909 0.000) 10.102 3.535 ( -15.411 9.400 0.000) 18.051 3.720 ( 3.285 -3.970 0.000) 5.153 3.772 ( 4.084 2.206 0.000) 4.642 3.878 ( -6.323 -3.084 0.000) 7.035 4.130 ( 5.606 -2.256 0.000) 6.043 4.454 ( -3.881 -11.630 0.000) 12.260 5.159 ( 0.896 6.648 0.000) 6.708 5.175 ( 0.395 10.217 0.000) 10.224 5.465 ( -0.366 4.441 0.000) 4.456 5.489 ( -2.568 3.472 0.000) 4.318 5.621 ( -0.252 4.643 0.000) 4.649 5.708 ( -3.040 2.972 0.000) 4.251 5.889 ( -0.987 6.794 0.000) 6.865 6.091 ( -6.441 -3.971 0.000) 7.567 6.426 ( 5.460 -2.763 0.000) 6.119 6.472 ( 0.719 2.880 0.000) 2.969 6.685 ( 7.181 -2.883 0.000) 7.738 6.892 ( -3.098 -2.046 0.000) 3.712 7.030 ( 3.940 -1.274 0.000) 4.141 7.032 ( 0.346 -1.739 0.000) 1.773 7.103 ( 1.165 -3.462 0.000) 3.653 7.300 ( 4.756 -2.148 0.000) 5.219 7.302 ( -8.407 -4.387 0.000) 9.483 7.331 ( 2.635 5.924 0.000) 6.484 7.413 ( 6.253 -2.244 0.000) 6.644 7.637 ( 2.601 -2.545 0.000) 3.638 7.845 ( -2.523 2.665 0.000) 3.670 7.878 ( -2.817 8.117 0.000) 8.592 7.970 ( 0.574 9.068 0.000) 9.086 8.026 ( 2.306 2.367 0.000) 3.305 8.045 ( -1.219 5.847 0.000) 5.973 8.280 ( -9.738 -1.382 0.000) 9.836 8.324 ( -2.606 -1.361 0.000) 2.940 8.455 ( -3.860 4.222 0.000) 5.720 8.809 ( 4.600 1.368 0.000) 4.799 8.842 ( 8.525 3.021 0.000) 9.044 9.199 ( 2.342 -5.437 0.000) 5.919 9.290 ( -2.997 -0.643 0.000) 3.065 9.471 ( -0.524 -4.089 0.000) 4.122 9.622 ( -4.189 -4.769 0.000) 6.347 9.831 ( 3.337 -4.382 0.000) 5.508 10.076 ( -2.340 -3.614 0.000) 4.305 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 10.290 16.845 0.000) 19.739 1.477 ( 15.336 18.777 0.000) 24.244 1.565 ( -10.196 10.141 0.000) 14.380 1.757 ( -11.677 13.553 0.000) 17.890 1.975 ( 5.993 3.884 0.000) 7.141 2.151 ( -9.971 0.847 0.000) 10.006 2.340 ( 0.205 5.102 0.000) 5.106 2.384 ( -4.038 4.047 0.000) 5.717 2.484 ( 16.208 21.011 0.000) 26.537 2.539 ( 2.887 6.046 0.000) 6.700 2.670 ( 6.443 7.646 0.000) 9.999 2.768 ( -0.664 10.370 0.000) 10.391 2.768 ( 5.600 17.343 0.000) 18.225 2.896 ( 3.286 10.756 0.000) 11.246 2.959 ( -1.701 7.363 0.000) 7.557 3.063 ( 11.504 5.700 0.000) 12.838 3.110 ( -24.236 19.660 0.000) 31.207 3.322 ( -13.200 -0.003 0.000) 13.200 3.560 ( 8.660 0.180 0.000) 8.662 3.716 ( -7.805 -4.289 0.000) 8.906 3.798 ( 4.295 -2.136 0.000) 4.797 3.846 ( 0.042 1.074 0.000) 1.075 4.232 ( 5.861 -6.963 0.000) 9.101 4.353 ( -6.382 -10.083 0.000) 11.933 5.176 ( 0.735 7.831 0.000) 7.866 5.182 ( 0.155 9.226 0.000) 9.227 5.456 ( -0.678 4.080 0.000) 4.136 5.456 ( -0.432 4.179 0.000) 4.202 5.611 ( 0.095 4.259 0.000) 4.261 5.643 ( -3.131 3.607 0.000) 4.777 5.918 ( 3.206 5.786 0.000) 6.615 5.990 ( -4.321 1.532 0.000) 4.585 6.492 ( 1.422 -2.294 0.000) 2.699 6.492 ( 0.953 0.344 0.000) 1.013 6.777 ( 3.087 -2.956 0.000) 4.274 6.831 ( -3.014 -2.143 0.000) 3.698 7.060 ( 2.857 -3.266 0.000) 4.339 7.101 ( 1.868 -1.162 0.000) 2.200 7.125 ( 0.906 -3.062 0.000) 3.193 7.160 ( -5.591 -6.341 0.000) 8.454 7.402 ( 4.228 4.097 0.000) 5.887 7.423 ( 5.330 -1.046 0.000) 5.431 7.495 ( 2.659 -0.004 0.000) 2.659 7.597 ( -5.572 -2.202 0.000) 5.991 7.865 ( 2.872 5.314 0.000) 6.041 7.870 ( 2.351 3.861 0.000) 4.520 7.963 ( -0.457 9.921 0.000) 9.931 8.023 ( -2.546 4.337 0.000) 5.029 8.027 ( -0.176 3.906 0.000) 3.910 8.075 ( -8.576 2.176 0.000) 8.848 8.332 ( 1.920 -1.848 0.000) 2.665 8.383 ( -3.367 0.434 0.000) 3.394 8.894 ( 3.790 2.374 0.000) 4.473 8.933 ( 0.560 1.853 0.000) 1.936 9.257 ( 3.248 -4.444 0.000) 5.504 9.284 ( 1.063 -2.082 0.000) 2.338 9.446 ( -0.082 -2.497 0.000) 2.498 9.518 ( -6.108 -3.106 0.000) 6.852 9.919 ( 5.230 -5.165 0.000) 7.350 10.012 ( -4.315 -4.575 0.000) 6.289 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 0.000 21.850 0.000) 21.850 1.613 ( 0.000 22.451 0.000) 22.451 1.844 ( 0.000 7.049 0.000) 7.049 1.929 ( 0.000 4.593 0.000) 4.593 2.320 ( 0.000 3.776 0.000) 3.776 2.389 ( 0.000 -3.250 0.000) 3.250 2.403 ( 0.000 9.913 0.000) 9.913 2.543 ( 0.000 8.024 0.000) 8.024 2.581 ( 0.000 4.371 0.000) 4.371 2.681 ( 0.000 18.089 0.000) 18.089 2.750 ( 0.000 7.590 0.000) 7.590 2.754 ( 0.000 3.007 0.000) 3.007 2.913 ( 0.000 26.592 0.000) 26.592 3.096 ( 0.000 4.361 0.000) 4.361 3.107 ( 0.000 6.244 0.000) 6.244 3.126 ( 0.000 5.668 0.000) 5.668 3.478 ( 0.000 -0.498 0.000) 0.498 3.586 ( 0.000 -1.479 0.000) 1.479 3.634 ( 0.000 18.718 0.000) 18.718 3.765 ( 0.000 -3.097 0.000) 3.097 3.865 ( 0.000 7.795 0.000) 7.795 4.003 ( 0.000 4.725 0.000) 4.725 4.087 ( 0.000 4.866 0.000) 4.866 4.206 ( 0.000 -15.882 0.000) 15.882 5.301 ( 0.000 8.569 0.000) 8.569 5.384 ( 0.000 10.020 0.000) 10.020 5.558 ( 0.000 2.526 0.000) 2.526 5.561 ( 0.000 4.438 0.000) 4.438 5.789 ( 0.000 8.782 0.000) 8.782 5.800 ( 0.000 2.762 0.000) 2.762 5.965 ( 0.000 2.055 0.000) 2.055 5.967 ( 0.000 -9.986 0.000) 9.986 6.398 ( 0.000 3.679 0.000) 3.679 6.564 ( 0.000 4.797 0.000) 4.797 6.588 ( 0.000 -0.288 0.000) 0.288 6.875 ( 0.000 -3.054 0.000) 3.054 7.016 ( 0.000 3.390 0.000) 3.390 7.025 ( 0.000 -1.925 0.000) 1.925 7.041 ( 0.000 1.296 0.000) 1.296 7.184 ( 0.000 -3.798 0.000) 3.798 7.325 ( 0.000 0.346 0.000) 0.346 7.345 ( 0.000 -2.535 0.000) 2.535 7.443 ( 0.000 -6.752 0.000) 6.752 7.471 ( 0.000 6.045 0.000) 6.045 7.889 ( 0.000 -2.610 0.000) 2.610 7.982 ( 0.000 -1.645 0.000) 1.645 8.036 ( 0.000 4.398 0.000) 4.398 8.098 ( 0.000 6.067 0.000) 6.067 8.255 ( 0.000 10.852 0.000) 10.852 8.262 ( 0.000 -3.637 0.000) 3.637 8.352 ( 0.000 -5.161 0.000) 5.161 8.641 ( 0.000 5.641 0.000) 5.641 8.762 ( 0.000 1.582 0.000) 1.582 8.834 ( 0.000 4.067 0.000) 4.067 9.063 ( 0.000 -4.999 0.000) 4.999 9.291 ( 0.000 -3.964 0.000) 3.964 9.390 ( 0.000 -0.811 0.000) 0.811 9.559 ( 0.000 -4.364 0.000) 4.364 9.735 ( 0.000 -2.944 0.000) 2.944 10.027 ( 0.000 -3.824 0.000) 3.824 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 2.676 20.431 0.000) 20.605 1.641 ( 9.687 20.659 0.000) 22.818 1.873 ( -4.487 6.987 0.000) 8.304 1.890 ( 4.665 7.151 0.000) 8.538 2.314 ( -8.611 11.670 0.000) 14.503 2.319 ( -4.583 0.988 0.000) 4.688 2.451 ( 7.449 0.220 0.000) 7.452 2.499 ( -2.421 7.486 0.000) 7.868 2.590 ( 1.391 5.592 0.000) 5.763 2.655 ( -4.401 3.676 0.000) 5.735 2.752 ( 4.918 16.647 0.000) 17.358 2.847 ( 6.849 5.739 0.000) 8.935 2.984 ( 5.307 16.675 0.000) 17.499 3.055 ( 0.559 10.522 0.000) 10.537 3.091 ( -1.593 5.108 0.000) 5.350 3.207 ( 3.761 8.757 0.000) 9.531 3.459 ( -2.304 1.632 0.000) 2.823 3.624 ( 1.346 0.442 0.000) 1.417 3.645 ( 4.009 13.397 0.000) 13.984 3.710 ( -5.477 0.035 0.000) 5.477 3.841 ( -8.428 8.406 0.000) 11.904 3.904 ( -1.653 6.873 0.000) 7.069 4.100 ( -0.637 -0.736 0.000) 0.974 4.185 ( -2.184 -14.451 0.000) 14.615 5.315 ( 1.443 8.670 0.000) 8.789 5.382 ( -0.257 9.800 0.000) 9.803 5.552 ( -0.833 4.026 0.000) 4.112 5.553 ( -0.508 3.350 0.000) 3.388 5.737 ( -3.633 6.340 0.000) 7.307 5.772 ( -2.607 3.072 0.000) 4.029 5.980 ( 1.288 -6.217 0.000) 6.349 6.000 ( 2.293 4.430 0.000) 4.988 6.420 ( 2.099 1.815 0.000) 2.775 6.529 ( -1.788 2.070 0.000) 2.735 6.655 ( 4.647 -0.094 0.000) 4.648 6.851 ( -2.265 -2.038 0.000) 3.047 7.004 ( -2.208 -1.167 0.000) 2.498 7.039 ( 2.093 2.152 0.000) 3.002 7.052 ( 2.081 -1.593 0.000) 2.621 7.215 ( -9.022 -4.055 0.000) 9.892 7.251 ( 6.433 -2.084 0.000) 6.762 7.386 ( 5.172 -0.719 0.000) 5.222 7.424 ( 1.145 1.608 0.000) 1.974 7.591 ( 3.768 -0.264 0.000) 3.777 7.865 ( 0.477 -1.088 0.000) 1.188 7.966 ( -1.243 0.192 0.000) 1.258 8.090 ( -0.875 4.839 0.000) 4.917 8.092 ( 3.281 4.095 0.000) 5.247 8.229 ( -2.610 10.057 0.000) 10.390 8.231 ( -3.615 -3.060 0.000) 4.736 8.284 ( -4.219 -2.783 0.000) 5.054 8.530 ( -7.668 3.431 0.000) 8.400 8.846 ( 4.879 1.663 0.000) 5.154 8.885 ( 3.672 0.869 0.000) 3.774 9.101 ( 3.829 -3.782 0.000) 5.382 9.272 ( -0.877 -1.227 0.000) 1.508 9.409 ( 0.769 -1.592 0.000) 1.768 9.532 ( -2.701 -3.664 0.000) 4.552 9.747 ( 1.829 -3.668 0.000) 4.099 9.997 ( -3.128 -4.151 0.000) 5.197 ======================= Grid point 17 (12/63) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 3.922 15.937 0.000) 16.412 1.783 ( -3.876 11.404 0.000) 12.044 1.868 ( 12.013 18.675 0.000) 22.205 2.002 ( 5.018 8.808 0.000) 10.137 2.131 ( -8.514 12.993 0.000) 15.534 2.191 ( -7.891 3.178 0.000) 8.506 2.460 ( -1.114 6.580 0.000) 6.674 2.476 ( -2.546 4.814 0.000) 5.446 2.637 ( 2.843 3.997 0.000) 4.905 2.661 ( 1.412 2.441 0.000) 2.820 2.877 ( 6.833 7.446 0.000) 10.106 2.939 ( 1.435 6.136 0.000) 6.302 3.029 ( 1.618 -0.071 0.000) 1.620 3.056 ( -1.569 1.540 0.000) 2.199 3.222 ( 14.179 25.072 0.000) 28.803 3.260 ( 3.729 11.308 0.000) 11.907 3.369 ( -7.059 5.926 0.000) 9.217 3.531 ( -15.329 19.765 0.000) 25.013 3.627 ( 0.316 6.705 0.000) 6.712 3.661 ( -4.510 1.084 0.000) 4.639 3.782 ( 8.189 1.872 0.000) 8.400 3.899 ( -2.751 4.402 0.000) 5.191 4.082 ( 0.436 -7.272 0.000) 7.285 4.129 ( -3.398 -11.091 0.000) 11.600 5.348 ( 1.695 8.937 0.000) 9.096 5.372 ( -0.846 9.342 0.000) 9.380 5.538 ( -0.405 4.065 0.000) 4.085 5.540 ( -0.620 4.455 0.000) 4.498 5.695 ( -0.374 4.234 0.000) 4.250 5.719 ( -2.487 3.653 0.000) 4.420 6.010 ( 1.533 -0.023 0.000) 1.534 6.025 ( 0.167 4.154 0.000) 4.157 6.464 ( 2.163 -0.079 0.000) 2.165 6.498 ( -1.538 0.292 0.000) 1.565 6.737 ( 3.681 -1.063 0.000) 3.831 6.799 ( -3.021 -1.252 0.000) 3.270 6.989 ( 1.012 -3.097 0.000) 3.258 7.044 ( -3.720 -4.319 0.000) 5.700 7.091 ( 1.536 -0.932 0.000) 1.796 7.103 ( -0.737 0.650 0.000) 0.982 7.389 ( 6.370 -1.715 0.000) 6.597 7.442 ( 0.054 -0.663 0.000) 0.665 7.481 ( 4.655 -1.228 0.000) 4.814 7.574 ( -4.210 0.155 0.000) 4.213 7.927 ( 3.793 1.307 0.000) 4.011 7.955 ( 0.075 3.327 0.000) 3.327 8.069 ( -0.774 2.074 0.000) 2.214 8.093 ( -2.715 2.240 0.000) 3.519 8.146 ( -2.266 3.758 0.000) 4.388 8.168 ( -3.279 7.834 0.000) 8.493 8.294 ( 4.057 -1.311 0.000) 4.264 8.395 ( -6.304 1.272 0.000) 6.431 8.912 ( 2.125 -0.580 0.000) 2.202 8.928 ( 0.584 -1.633 0.000) 1.734 9.192 ( 5.082 -1.746 0.000) 5.374 9.261 ( -1.461 -0.618 0.000) 1.586 9.414 ( 0.938 -0.436 0.000) 1.035 9.466 ( -3.804 -1.719 0.000) 4.174 9.814 ( 4.934 -4.929 0.000) 6.975 9.915 ( -5.194 -4.837 0.000) 7.098 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.000 16.587 0.000) 16.587 1.984 ( 0.000 6.653 0.000) 6.653 2.011 ( 0.000 16.899 0.000) 16.899 2.043 ( 0.000 6.597 0.000) 6.597 2.315 ( 0.000 -3.623 0.000) 3.623 2.398 ( 0.000 3.833 0.000) 3.833 2.587 ( 0.000 7.776 0.000) 7.776 2.669 ( 0.000 4.532 0.000) 4.532 2.676 ( 0.000 3.809 0.000) 3.809 2.793 ( 0.000 1.615 0.000) 1.615 2.829 ( 0.000 4.082 0.000) 4.082 2.910 ( 0.000 8.243 0.000) 8.243 3.049 ( 0.000 -7.009 0.000) 7.009 3.111 ( 0.000 -2.312 0.000) 2.312 3.216 ( 0.000 2.876 0.000) 2.876 3.510 ( 0.000 -2.858 0.000) 2.858 3.603 ( 0.000 33.541 0.000) 33.541 3.655 ( 0.000 13.937 0.000) 13.937 3.663 ( 0.000 -5.852 0.000) 5.852 3.876 ( 0.000 -16.150 0.000) 16.150 4.011 ( 0.000 6.578 0.000) 6.578 4.087 ( 0.000 21.716 0.000) 21.716 4.131 ( 0.000 6.450 0.000) 6.450 4.179 ( 0.000 4.114 0.000) 4.114 5.480 ( 0.000 8.948 0.000) 8.948 5.554 ( 0.000 6.581 0.000) 6.581 5.626 ( 0.000 4.164 0.000) 4.164 5.641 ( 0.000 3.446 0.000) 3.446 5.810 ( 0.000 -5.313 0.000) 5.313 5.837 ( 0.000 0.738 0.000) 0.738 5.954 ( 0.000 7.229 0.000) 7.229 6.006 ( 0.000 1.870 0.000) 1.870 6.478 ( 0.000 4.184 0.000) 4.184 6.568 ( 0.000 -1.190 0.000) 1.190 6.656 ( 0.000 4.221 0.000) 4.221 6.814 ( 0.000 -2.830 0.000) 2.830 7.005 ( 0.000 -0.187 0.000) 0.187 7.069 ( 0.000 1.197 0.000) 1.197 7.122 ( 0.000 6.647 0.000) 6.647 7.139 ( 0.000 -0.558 0.000) 0.558 7.267 ( 0.000 -4.779 0.000) 4.779 7.311 ( 0.000 -6.000 0.000) 6.000 7.324 ( 0.000 -0.483 0.000) 0.483 7.592 ( 0.000 5.401 0.000) 5.401 7.823 ( 0.000 -3.976 0.000) 3.976 7.927 ( 0.000 -3.019 0.000) 3.019 8.073 ( 0.000 -2.331 0.000) 2.331 8.161 ( 0.000 0.117 0.000) 0.117 8.211 ( 0.000 -0.010 0.000) 0.010 8.259 ( 0.000 -3.743 0.000) 3.743 8.459 ( 0.000 9.063 0.000) 9.063 8.718 ( 0.000 2.310 0.000) 2.310 8.806 ( 0.000 2.353 0.000) 2.353 8.868 ( 0.000 0.033 0.000) 0.033 8.984 ( 0.000 -3.044 0.000) 3.044 9.193 ( 0.000 -5.570 0.000) 5.570 9.427 ( 0.000 3.797 0.000) 3.797 9.511 ( 0.000 -0.063 0.000) 0.063 9.687 ( 0.000 -1.819 0.000) 1.819 9.946 ( 0.000 -4.220 0.000) 4.220 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -0.612 10.001 0.000) 10.020 2.014 ( 3.891 10.202 0.000) 10.919 2.018 ( 2.265 12.696 0.000) 12.896 2.073 ( 4.657 12.154 0.000) 13.016 2.328 ( -1.005 -0.154 0.000) 1.017 2.473 ( 7.867 2.195 0.000) 8.168 2.538 ( -4.917 10.204 0.000) 11.327 2.633 ( -0.242 4.986 0.000) 4.992 2.700 ( -1.463 4.133 0.000) 4.385 2.727 ( -4.243 3.424 0.000) 5.452 2.876 ( 3.134 2.485 0.000) 3.999 2.930 ( 2.136 2.523 0.000) 3.306 3.039 ( -3.955 -1.451 0.000) 4.213 3.055 ( 0.727 -3.664 0.000) 3.735 3.320 ( 6.442 4.370 0.000) 7.784 3.501 ( 0.840 -1.766 0.000) 1.955 3.546 ( -7.088 -0.651 0.000) 7.118 3.676 ( 6.744 27.249 0.000) 28.071 3.715 ( 1.233 6.743 0.000) 6.855 3.843 ( -2.876 -11.031 0.000) 11.400 4.019 ( 0.701 8.458 0.000) 8.487 4.091 ( -5.331 0.917 0.000) 5.409 4.102 ( 1.077 17.590 0.000) 17.623 4.110 ( -5.377 10.234 0.000) 11.560 5.495 ( 1.414 8.862 0.000) 8.974 5.553 ( -0.186 6.895 0.000) 6.897 5.626 ( -0.874 3.400 0.000) 3.510 5.631 ( 0.476 4.426 0.000) 4.451 5.820 ( -1.523 1.501 0.000) 2.138 5.861 ( -5.579 5.787 0.000) 8.038 5.871 ( 5.232 -4.208 0.000) 6.714 6.068 ( 2.421 2.106 0.000) 3.209 6.478 ( 0.232 3.510 0.000) 3.518 6.544 ( -1.858 0.034 0.000) 1.858 6.683 ( 2.284 2.415 0.000) 3.324 6.808 ( -1.083 -2.438 0.000) 2.667 6.990 ( -2.733 -0.103 0.000) 2.735 7.034 ( 0.581 -0.174 0.000) 0.607 7.087 ( -5.571 0.392 0.000) 5.584 7.162 ( -2.915 0.465 0.000) 2.952 7.230 ( 7.087 -0.104 0.000) 7.088 7.373 ( 4.110 -0.705 0.000) 4.170 7.380 ( 2.415 -4.122 0.000) 4.777 7.637 ( 1.005 2.952 0.000) 3.118 7.815 ( 2.510 -3.262 0.000) 4.116 7.932 ( 0.776 -2.671 0.000) 2.782 8.136 ( 4.135 -3.526 0.000) 5.434 8.142 ( -2.150 -0.276 0.000) 2.168 8.182 ( -2.821 0.638 0.000) 2.892 8.236 ( -0.487 -0.598 0.000) 0.772 8.413 ( -4.670 7.989 0.000) 9.254 8.596 ( -8.313 3.119 0.000) 8.879 8.864 ( 2.581 0.428 0.000) 2.616 8.882 ( 1.066 -0.601 0.000) 1.224 9.052 ( 6.079 -1.560 0.000) 6.276 9.218 ( 2.007 -4.330 0.000) 4.773 9.428 ( 0.110 3.150 0.000) 3.152 9.494 ( -1.621 0.182 0.000) 1.632 9.689 ( 0.571 -2.201 0.000) 2.274 9.912 ( -3.525 -4.301 0.000) 5.561 ======================= Grid point 22 (15/63) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 0.674 9.386 0.000) 9.410 1.985 ( -1.324 8.206 0.000) 8.312 2.171 ( 5.349 8.964 0.000) 10.439 2.206 ( 9.362 13.066 0.000) 16.074 2.282 ( -1.986 6.664 0.000) 6.953 2.422 ( -8.193 14.212 0.000) 16.405 2.571 ( 0.385 4.645 0.000) 4.661 2.587 ( -2.943 5.401 0.000) 6.151 2.698 ( 1.461 1.559 0.000) 2.137 2.699 ( 1.249 1.921 0.000) 2.291 2.959 ( 5.674 1.711 0.000) 5.926 2.965 ( 1.193 -3.394 0.000) 3.598 2.990 ( -0.941 -2.855 0.000) 3.006 3.058 ( -1.794 1.748 0.000) 2.505 3.366 ( -0.174 2.094 0.000) 2.101 3.410 ( -5.816 -2.639 0.000) 6.386 3.625 ( 10.734 1.915 0.000) 10.904 3.724 ( 0.037 5.525 0.000) 5.525 3.785 ( -0.617 1.571 0.000) 1.687 3.834 ( 7.478 13.767 0.000) 15.667 3.901 ( -11.795 1.807 0.000) 11.932 3.977 ( -6.306 12.019 0.000) 13.573 4.084 ( 1.604 10.910 0.000) 11.027 4.109 ( -0.572 13.405 0.000) 13.417 5.525 ( 1.495 8.447 0.000) 8.578 5.546 ( -0.641 7.670 0.000) 7.697 5.624 ( 0.707 4.560 0.000) 4.614 5.637 ( -0.151 5.139 0.000) 5.141 5.782 ( -2.151 4.317 0.000) 4.823 5.784 ( -1.745 2.851 0.000) 3.343 5.982 ( 5.760 -2.587 0.000) 6.314 6.066 ( -2.592 -0.218 0.000) 2.601 6.492 ( 1.098 2.552 0.000) 2.778 6.514 ( -1.240 1.548 0.000) 1.983 6.727 ( 2.225 -0.132 0.000) 2.229 6.771 ( -2.415 -1.756 0.000) 2.986 6.951 ( -0.623 -0.565 0.000) 0.841 6.979 ( -3.902 -2.043 0.000) 4.404 7.074 ( 2.873 -0.836 0.000) 2.992 7.127 ( -2.283 1.038 0.000) 2.508 7.370 ( 5.800 -0.031 0.000) 5.800 7.406 ( 0.454 -1.835 0.000) 1.890 7.451 ( 4.726 -1.646 0.000) 5.005 7.573 ( -6.294 -0.855 0.000) 6.352 7.933 ( 7.088 -0.785 0.000) 7.131 7.970 ( 3.061 -1.641 0.000) 3.473 8.078 ( -4.175 -1.520 0.000) 4.443 8.089 ( -5.051 -3.024 0.000) 5.887 8.197 ( 3.270 2.089 0.000) 3.881 8.298 ( -6.621 5.491 0.000) 8.601 8.311 ( 6.628 2.665 0.000) 7.144 8.446 ( -7.463 3.412 0.000) 8.206 8.895 ( 0.847 -0.357 0.000) 0.919 8.898 ( 0.476 -0.766 0.000) 0.902 9.169 ( 5.398 -1.317 0.000) 5.556 9.234 ( -1.107 -2.515 0.000) 2.748 9.433 ( 0.661 2.282 0.000) 2.376 9.458 ( -1.854 1.072 0.000) 2.142 9.729 ( 3.859 -3.498 0.000) 5.208 9.823 ( -5.400 -4.293 0.000) 6.899 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 0.000 6.068 0.000) 6.068 2.117 ( 0.000 3.855 0.000) 3.855 2.248 ( 0.000 -2.901 0.000) 2.901 2.260 ( 0.000 12.260 0.000) 12.260 2.285 ( 0.000 9.815 0.000) 9.815 2.470 ( 0.000 3.007 0.000) 3.007 2.655 ( 0.000 -5.023 0.000) 5.023 2.678 ( 0.000 1.383 0.000) 1.383 2.779 ( 0.000 5.881 0.000) 5.881 2.832 ( 0.000 2.263 0.000) 2.263 2.889 ( 0.000 1.832 0.000) 1.832 2.940 ( 0.000 -1.568 0.000) 1.568 3.043 ( 0.000 -3.184 0.000) 3.184 3.102 ( 0.000 8.914 0.000) 8.914 3.226 ( 0.000 -2.408 0.000) 2.408 3.470 ( 0.000 -1.397 0.000) 1.397 3.543 ( 0.000 -6.086 0.000) 6.086 3.592 ( 0.000 -10.815 0.000) 10.815 3.931 ( 0.000 12.441 0.000) 12.441 4.126 ( 0.000 4.828 0.000) 4.828 4.188 ( 0.000 23.891 0.000) 23.891 4.234 ( 0.000 3.517 0.000) 3.517 4.246 ( 0.000 2.420 0.000) 2.420 4.456 ( 0.000 14.188 0.000) 14.188 5.648 ( 0.000 3.065 0.000) 3.065 5.648 ( 0.000 7.480 0.000) 7.480 5.698 ( 0.000 2.149 0.000) 2.149 5.717 ( 0.000 4.609 0.000) 4.609 5.753 ( 0.000 -0.790 0.000) 0.790 5.826 ( 0.000 -1.792 0.000) 1.792 6.034 ( 0.000 0.829 0.000) 0.829 6.060 ( 0.000 2.846 0.000) 2.846 6.562 ( 0.000 4.017 0.000) 4.017 6.567 ( 0.000 1.796 0.000) 1.796 6.725 ( 0.000 2.354 0.000) 2.354 6.760 ( 0.000 -2.633 0.000) 2.633 7.016 ( 0.000 1.236 0.000) 1.236 7.083 ( 0.000 0.127 0.000) 0.127 7.158 ( 0.000 2.134 0.000) 2.134 7.164 ( 0.000 -5.021 0.000) 5.021 7.186 ( 0.000 -3.765 0.000) 3.765 7.289 ( 0.000 7.135 0.000) 7.135 7.305 ( 0.000 -1.454 0.000) 1.454 7.680 ( 0.000 3.303 0.000) 3.303 7.728 ( 0.000 -5.327 0.000) 5.327 7.885 ( 0.000 -0.737 0.000) 0.737 7.969 ( 0.000 -6.446 0.000) 6.446 8.110 ( 0.000 -4.674 0.000) 4.674 8.214 ( 0.000 -0.680 0.000) 0.680 8.236 ( 0.000 1.186 0.000) 1.186 8.614 ( 0.000 6.309 0.000) 6.309 8.749 ( 0.000 0.950 0.000) 0.950 8.847 ( 0.000 1.615 0.000) 1.615 8.868 ( 0.000 0.462 0.000) 0.462 8.931 ( 0.000 -2.296 0.000) 2.296 9.077 ( 0.000 -5.739 0.000) 5.739 9.511 ( 0.000 4.094 0.000) 4.094 9.554 ( 0.000 3.920 0.000) 3.920 9.656 ( 0.000 -1.388 0.000) 1.388 9.857 ( 0.000 -4.692 0.000) 4.692 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -0.239 5.963 0.000) 5.968 2.124 ( -0.104 4.111 0.000) 4.112 2.247 ( 3.077 3.198 0.000) 4.437 2.300 ( 1.346 8.274 0.000) 8.383 2.359 ( 6.385 6.682 0.000) 9.243 2.527 ( 6.129 2.604 0.000) 6.659 2.650 ( -0.292 -3.485 0.000) 3.497 2.693 ( 1.293 1.348 0.000) 1.868 2.746 ( -2.765 6.268 0.000) 6.851 2.795 ( -3.122 3.292 0.000) 4.537 2.910 ( 1.745 0.753 0.000) 1.900 2.982 ( 2.170 1.242 0.000) 2.500 2.997 ( -3.211 -1.561 0.000) 3.571 3.063 ( -2.448 5.123 0.000) 5.678 3.327 ( 7.936 -7.009 0.000) 10.588 3.426 ( -2.370 0.200 0.000) 2.378 3.460 ( -7.739 -5.621 0.000) 9.565 3.633 ( 3.336 -7.524 0.000) 8.231 3.887 ( -4.040 7.637 0.000) 8.640 4.085 ( -9.717 -0.574 0.000) 9.734 4.199 ( 5.018 8.858 0.000) 10.181 4.208 ( 1.914 22.289 0.000) 22.371 4.303 ( 1.556 7.400 0.000) 7.562 4.445 ( -1.297 13.755 0.000) 13.816 5.658 ( 1.089 3.858 0.000) 4.009 5.661 ( 1.092 7.352 0.000) 7.432 5.692 ( 0.145 3.195 0.000) 3.198 5.726 ( 0.856 4.737 0.000) 4.813 5.807 ( 4.739 -2.095 0.000) 5.181 5.832 ( 0.461 -0.629 0.000) 0.780 5.957 ( -5.310 3.433 0.000) 6.323 6.078 ( -0.691 -1.096 0.000) 1.296 6.550 ( -0.717 3.497 0.000) 3.570 6.563 ( -0.266 2.396 0.000) 2.411 6.730 ( 0.175 1.646 0.000) 1.655 6.751 ( -1.149 -3.190 0.000) 3.391 7.003 ( -1.747 1.334 0.000) 2.198 7.047 ( -1.088 1.163 0.000) 1.592 7.054 ( -6.863 -1.795 0.000) 7.094 7.181 ( -2.089 -2.128 0.000) 2.982 7.240 ( 6.783 1.006 0.000) 6.857 7.342 ( 3.519 2.388 0.000) 4.253 7.354 ( 4.041 -1.309 0.000) 4.248 7.649 ( -4.703 -2.620 0.000) 5.384 7.770 ( 6.192 -0.206 0.000) 6.196 7.887 ( 0.449 -1.271 0.000) 1.348 8.019 ( 2.349 -6.628 0.000) 7.032 8.084 ( -2.718 -4.827 0.000) 5.540 8.198 ( -0.161 1.215 0.000) 1.226 8.259 ( 2.868 1.263 0.000) 3.134 8.548 ( -6.371 5.403 0.000) 8.353 8.649 ( -7.331 1.877 0.000) 7.567 8.880 ( 2.223 1.386 0.000) 2.620 8.882 ( 1.315 0.909 0.000) 1.599 9.017 ( 6.428 -2.074 0.000) 6.754 9.114 ( 3.173 -5.585 0.000) 6.423 9.504 ( -0.642 3.866 0.000) 3.919 9.537 ( -1.571 3.726 0.000) 4.044 9.653 ( -0.100 -1.563 0.000) 1.566 9.823 ( -3.393 -4.537 0.000) 5.665 ======================= Grid point 27 (18/63) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 0.171 5.552 0.000) 5.554 2.114 ( -0.591 5.044 0.000) 5.078 2.313 ( 2.231 0.703 0.000) 2.339 2.323 ( 0.716 4.357 0.000) 4.416 2.492 ( 7.970 9.997 0.000) 12.786 2.628 ( -4.215 1.038 0.000) 4.341 2.661 ( 5.220 3.571 0.000) 6.325 2.688 ( -1.155 9.859 0.000) 9.927 2.721 ( 0.675 0.952 0.000) 1.167 2.736 ( -2.380 3.089 0.000) 3.899 2.939 ( -0.544 -1.449 0.000) 1.548 2.950 ( -2.425 2.952 0.000) 3.820 2.980 ( 4.503 0.450 0.000) 4.525 3.070 ( -0.967 -1.118 0.000) 1.479 3.310 ( -5.176 -6.412 0.000) 8.241 3.319 ( -3.810 -7.301 0.000) 8.235 3.582 ( 13.797 -1.007 0.000) 13.834 3.706 ( 4.373 -2.727 0.000) 5.154 3.795 ( -5.279 1.967 0.000) 5.633 3.855 ( -13.710 -1.461 0.000) 13.788 4.252 ( 2.363 18.251 0.000) 18.404 4.279 ( 0.735 13.011 0.000) 13.032 4.330 ( 3.397 11.264 0.000) 11.765 4.403 ( -3.178 12.695 0.000) 13.086 5.677 ( 0.562 5.363 0.000) 5.392 5.678 ( 0.476 6.622 0.000) 6.639 5.719 ( 2.445 4.678 0.000) 5.278 5.743 ( 0.456 5.173 0.000) 5.193 5.831 ( -0.122 1.603 0.000) 1.608 5.862 ( -4.006 3.300 0.000) 5.190 5.918 ( 6.161 -3.512 0.000) 7.092 6.025 ( -4.638 -3.438 0.000) 5.773 6.550 ( 0.624 2.845 0.000) 2.913 6.560 ( -0.222 2.837 0.000) 2.846 6.722 ( -0.774 -0.700 0.000) 1.044 6.724 ( -1.159 -2.870 0.000) 3.095 6.965 ( -1.983 0.703 0.000) 2.104 6.966 ( -1.463 1.842 0.000) 2.352 7.060 ( 2.154 -0.417 0.000) 2.194 7.120 ( -3.745 -1.870 0.000) 4.186 7.382 ( 6.523 0.901 0.000) 6.585 7.398 ( 2.011 1.150 0.000) 2.316 7.419 ( 3.243 -1.301 0.000) 3.494 7.542 ( -6.673 -2.011 0.000) 6.970 7.896 ( 6.309 -2.400 0.000) 6.750 7.917 ( 2.969 -2.838 0.000) 4.107 7.996 ( -3.797 -5.352 0.000) 6.562 8.010 ( -4.919 -4.685 0.000) 6.793 8.256 ( 6.107 3.525 0.000) 7.051 8.359 ( 7.167 1.575 0.000) 7.338 8.401 ( -8.371 4.681 0.000) 9.590 8.505 ( -7.777 2.010 0.000) 8.033 8.908 ( 1.108 1.803 0.000) 2.116 8.912 ( 0.834 2.042 0.000) 2.206 9.124 ( 4.195 -3.112 0.000) 5.223 9.159 ( 0.677 -4.671 0.000) 4.720 9.495 ( -0.139 3.461 0.000) 3.464 9.506 ( -1.338 3.397 0.000) 3.651 9.670 ( 2.358 -2.508 0.000) 3.442 9.742 ( -4.654 -3.862 0.000) 6.047 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 0.000 1.723 0.000) 1.723 2.201 ( 0.000 -1.818 0.000) 1.818 2.235 ( 0.000 6.383 0.000) 6.383 2.353 ( 0.000 -3.647 0.000) 3.647 2.449 ( 0.000 6.052 0.000) 6.052 2.505 ( 0.000 0.015 0.000) 0.015 2.605 ( 0.000 2.072 0.000) 2.072 2.665 ( 0.000 -2.374 0.000) 2.374 2.875 ( 0.000 1.852 0.000) 1.852 2.876 ( 0.000 3.513 0.000) 3.513 2.901 ( 0.000 -0.516 0.000) 0.516 2.922 ( 0.000 -1.162 0.000) 1.162 3.027 ( 0.000 2.142 0.000) 2.142 3.122 ( 0.000 -6.479 0.000) 6.479 3.272 ( 0.000 7.801 0.000) 7.801 3.416 ( 0.000 -6.584 0.000) 6.584 3.450 ( 0.000 -0.453 0.000) 0.453 3.465 ( 0.000 -2.541 0.000) 2.541 4.131 ( 0.000 7.025 0.000) 7.025 4.193 ( 0.000 1.036 0.000) 1.036 4.269 ( 0.000 0.296 0.000) 0.296 4.272 ( 0.000 0.208 0.000) 0.208 4.544 ( 0.000 11.117 0.000) 11.117 4.630 ( 0.000 2.508 0.000) 2.508 5.702 ( 0.000 2.683 0.000) 2.683 5.728 ( 0.000 0.725 0.000) 0.725 5.750 ( 0.000 0.027 0.000) 0.027 5.768 ( 0.000 3.970 0.000) 3.970 5.775 ( 0.000 -2.795 0.000) 2.795 5.790 ( 0.000 1.843 0.000) 1.843 6.044 ( 0.000 0.639 0.000) 0.639 6.069 ( 0.000 -1.299 0.000) 1.299 6.638 ( 0.000 3.554 0.000) 3.554 6.643 ( 0.000 5.088 0.000) 5.088 6.704 ( 0.000 -3.022 0.000) 3.022 6.729 ( 0.000 -2.403 0.000) 2.403 7.047 ( 0.000 1.592 0.000) 1.592 7.074 ( 0.000 -0.991 0.000) 0.991 7.093 ( 0.000 -1.264 0.000) 1.264 7.114 ( 0.000 -2.761 0.000) 2.761 7.212 ( 0.000 2.949 0.000) 2.949 7.266 ( 0.000 -2.321 0.000) 2.321 7.447 ( 0.000 7.902 0.000) 7.902 7.598 ( 0.000 -6.990 0.000) 6.990 7.751 ( 0.000 3.695 0.000) 3.695 7.844 ( 0.000 -5.598 0.000) 5.598 7.908 ( 0.000 3.058 0.000) 3.058 8.000 ( 0.000 -5.619 0.000) 5.619 8.222 ( 0.000 1.126 0.000) 1.126 8.242 ( 0.000 -0.520 0.000) 0.520 8.712 ( 0.000 3.453 0.000) 3.453 8.754 ( 0.000 -0.738 0.000) 0.738 8.871 ( 0.000 0.939 0.000) 0.939 8.893 ( 0.000 -1.413 0.000) 1.413 8.898 ( 0.000 2.580 0.000) 2.580 8.971 ( 0.000 -4.599 0.000) 4.599 9.581 ( 0.000 2.801 0.000) 2.801 9.626 ( 0.000 -1.750 0.000) 1.750 9.650 ( 0.000 5.299 0.000) 5.299 9.757 ( 0.000 -5.210 0.000) 5.210 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 1.343 2.538 0.000) 2.872 2.226 ( -0.824 6.001 0.000) 6.057 2.233 ( 2.690 -1.968 0.000) 3.333 2.340 ( -1.243 -4.088 0.000) 4.272 2.507 ( 6.096 5.337 0.000) 8.102 2.558 ( 5.605 -0.037 0.000) 5.605 2.623 ( 1.754 2.499 0.000) 3.053 2.682 ( 1.601 -2.215 0.000) 2.733 2.854 ( -1.831 2.481 0.000) 3.083 2.875 ( 0.249 5.477 0.000) 5.482 2.896 ( -0.545 -1.697 0.000) 1.782 2.959 ( 3.185 -2.857 0.000) 4.278 3.019 ( -0.495 3.870 0.000) 3.901 3.146 ( 1.274 -8.505 0.000) 8.600 3.203 ( -6.867 7.278 0.000) 10.006 3.340 ( -7.489 -6.328 0.000) 9.805 3.464 ( 3.522 2.518 0.000) 4.330 3.526 ( 5.108 -3.831 0.000) 6.385 4.004 ( -8.884 4.148 0.000) 9.805 4.062 ( -10.700 -1.826 0.000) 10.855 4.348 ( 7.279 5.242 0.000) 8.970 4.391 ( 5.794 1.151 0.000) 5.907 4.540 ( -0.503 10.310 0.000) 10.322 4.616 ( -1.512 2.684 0.000) 3.080 5.724 ( 2.111 2.801 0.000) 3.507 5.750 ( 1.896 2.602 0.000) 3.219 5.770 ( 2.767 -1.815 0.000) 3.309 5.780 ( 0.998 4.055 0.000) 4.176 5.802 ( 1.093 1.981 0.000) 2.262 5.802 ( 2.190 -2.235 0.000) 3.129 6.000 ( -4.168 1.278 0.000) 4.360 6.036 ( -3.438 -2.468 0.000) 4.232 6.618 ( -1.542 3.262 0.000) 3.608 6.640 ( -0.433 4.787 0.000) 4.806 6.684 ( -1.735 -3.336 0.000) 3.760 6.724 ( -0.916 -2.599 0.000) 2.756 7.036 ( -1.033 1.750 0.000) 2.032 7.046 ( -3.419 1.352 0.000) 3.677 7.060 ( -0.980 -0.286 0.000) 1.021 7.104 ( -1.660 -3.996 0.000) 4.327 7.272 ( 5.596 2.191 0.000) 6.009 7.319 ( 4.634 -2.166 0.000) 5.115 7.439 ( -0.221 5.808 0.000) 5.812 7.556 ( -3.029 -5.673 0.000) 6.431 7.803 ( 3.943 3.123 0.000) 5.030 7.892 ( 2.699 -5.598 0.000) 6.214 7.896 ( -1.075 2.330 0.000) 2.566 7.976 ( -2.383 -5.256 0.000) 5.771 8.234 ( 2.059 1.984 0.000) 2.859 8.264 ( 2.895 -0.770 0.000) 2.996 8.631 ( -6.947 2.894 0.000) 7.526 8.664 ( -6.972 -0.428 0.000) 6.985 8.919 ( 3.568 2.366 0.000) 4.281 8.923 ( 2.330 3.160 0.000) 3.926 8.970 ( 5.260 -2.548 0.000) 5.844 9.005 ( 3.104 -4.931 0.000) 5.826 9.573 ( -0.771 2.839 0.000) 2.942 9.619 ( -0.507 -1.889 0.000) 1.956 9.628 ( -2.148 4.963 0.000) 5.408 9.728 ( -2.856 -4.908 0.000) 5.678 ======================= Grid point 32 (21/63) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 0.373 4.058 0.000) 4.075 2.211 ( -0.608 5.135 0.000) 5.171 2.279 ( 1.954 -3.286 0.000) 3.823 2.312 ( -1.586 -4.240 0.000) 4.527 2.639 ( 5.472 4.721 0.000) 7.227 2.661 ( 1.734 3.062 0.000) 3.519 2.689 ( 5.676 -0.483 0.000) 5.697 2.715 ( 1.342 -1.645 0.000) 2.123 2.831 ( 0.810 5.081 0.000) 5.145 2.876 ( -1.085 7.994 0.000) 8.067 2.908 ( 3.358 -2.429 0.000) 4.144 3.008 ( -0.773 -4.930 0.000) 4.990 3.014 ( 0.300 3.824 0.000) 3.836 3.050 ( -6.443 5.968 0.000) 8.782 3.142 ( -1.241 -8.497 0.000) 8.587 3.176 ( -7.337 -6.550 0.000) 9.835 3.604 ( 10.607 2.231 0.000) 10.839 3.654 ( 8.265 -2.611 0.000) 8.667 3.822 ( -10.425 1.012 0.000) 10.474 3.839 ( -11.881 -0.631 0.000) 11.897 4.468 ( 4.495 5.410 0.000) 7.033 4.486 ( 4.815 3.658 0.000) 6.047 4.521 ( -1.637 8.099 0.000) 8.263 4.570 ( -3.450 3.235 0.000) 4.730 5.768 ( 2.069 3.945 0.000) 4.454 5.791 ( -0.200 4.440 0.000) 4.444 5.802 ( 3.450 3.337 0.000) 4.799 5.824 ( 0.878 1.926 0.000) 2.116 5.837 ( 1.950 -1.895 0.000) 2.719 5.850 ( 4.676 -2.393 0.000) 5.252 5.907 ( -5.119 1.321 0.000) 5.287 5.949 ( -5.267 -3.463 0.000) 6.304 6.603 ( 0.344 2.643 0.000) 2.665 6.623 ( -1.286 3.389 0.000) 3.625 6.661 ( -0.068 -3.120 0.000) 3.120 6.688 ( -2.421 -2.709 0.000) 3.633 7.003 ( -0.680 2.811 0.000) 2.892 7.013 ( -1.213 2.411 0.000) 2.699 7.049 ( -0.005 -1.052 0.000) 1.052 7.065 ( -1.751 -3.144 0.000) 3.599 7.394 ( 6.468 0.457 0.000) 6.484 7.405 ( 3.596 -0.436 0.000) 3.622 7.440 ( -0.277 2.685 0.000) 2.699 7.495 ( -3.958 -2.621 0.000) 4.747 7.864 ( 2.645 -0.152 0.000) 2.649 7.882 ( 0.080 -0.145 0.000) 0.166 7.901 ( -1.261 -3.625 0.000) 3.838 7.919 ( -3.225 -3.650 0.000) 4.870 8.324 ( 7.214 2.969 0.000) 7.801 8.366 ( 7.389 -0.948 0.000) 7.450 8.480 ( -8.518 3.058 0.000) 9.051 8.519 ( -8.178 -0.677 0.000) 8.206 8.967 ( 1.738 3.920 0.000) 4.288 8.971 ( 1.457 3.637 0.000) 3.918 9.050 ( 2.670 -4.009 0.000) 4.816 9.059 ( 1.697 -5.013 0.000) 5.292 9.563 ( 0.060 3.171 0.000) 3.171 9.583 ( -2.056 4.057 0.000) 4.548 9.620 ( 1.009 -2.593 0.000) 2.782 9.664 ( -3.345 -3.922 0.000) 5.155 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 0.000 0.000 27.874) 27.874 0.555 ( 0.000 0.000 28.001) 28.001 0.808 ( 0.000 0.000 40.695) 40.695 1.690 ( 0.000 0.000 6.339) 6.339 1.921 ( 0.000 0.000 -14.195) 14.195 2.017 ( 0.000 0.000 3.378) 3.378 2.060 ( 0.000 0.000 3.170) 3.170 2.077 ( 0.000 0.000 -22.118) 22.118 2.200 ( 0.000 0.000 -4.539) 4.539 2.369 ( 0.000 0.000 -0.993) 0.993 2.422 ( 0.000 0.000 2.291) 2.291 2.430 ( 0.000 0.000 -1.697) 1.697 2.461 ( 0.000 0.000 -2.040) 2.040 2.694 ( 0.000 0.000 2.532) 2.532 2.828 ( 0.000 0.000 -1.032) 1.032 2.895 ( 0.000 0.000 12.740) 12.740 2.929 ( 0.000 0.000 -21.588) 21.588 3.430 ( 0.000 0.000 -7.859) 7.859 3.592 ( 0.000 0.000 1.363) 1.363 3.761 ( 0.000 0.000 -4.952) 4.952 3.946 ( 0.000 0.000 2.732) 2.732 3.997 ( 0.000 0.000 16.502) 16.502 4.155 ( 0.000 0.000 -0.708) 0.708 4.710 ( 0.000 0.000 -4.131) 4.131 4.950 ( 0.000 0.000 3.546) 3.546 5.053 ( 0.000 0.000 2.763) 2.763 5.231 ( 0.000 0.000 -2.893) 2.893 5.319 ( 0.000 0.000 -3.674) 3.674 5.434 ( 0.000 0.000 2.025) 2.025 5.526 ( 0.000 0.000 -0.555) 0.555 6.132 ( 0.000 0.000 1.346) 1.346 6.473 ( 0.000 0.000 -2.531) 2.531 6.476 ( 0.000 0.000 7.622) 7.622 6.587 ( 0.000 0.000 5.257) 5.257 6.897 ( 0.000 0.000 -6.962) 6.962 6.999 ( 0.000 0.000 -1.110) 1.110 7.021 ( 0.000 0.000 -0.695) 0.695 7.093 ( 0.000 0.000 0.762) 0.762 7.136 ( 0.000 0.000 -0.235) 0.235 7.274 ( 0.000 0.000 -9.932) 9.932 7.305 ( 0.000 0.000 1.464) 1.464 7.435 ( 0.000 0.000 -1.728) 1.728 7.514 ( 0.000 0.000 2.158) 2.158 7.536 ( 0.000 0.000 -0.948) 0.948 7.585 ( 0.000 0.000 0.601) 0.601 7.618 ( 0.000 0.000 -0.142) 0.142 7.917 ( 0.000 0.000 2.282) 2.282 7.917 ( 0.000 0.000 0.049) 0.049 7.956 ( 0.000 0.000 -0.731) 0.731 8.119 ( 0.000 0.000 7.063) 7.063 8.210 ( 0.000 0.000 -4.716) 4.716 8.337 ( 0.000 0.000 -3.103) 3.103 8.559 ( 0.000 0.000 0.978) 0.978 8.561 ( 0.000 0.000 4.035) 4.035 9.330 ( 0.000 0.000 1.307) 1.307 9.356 ( 0.000 0.000 0.410) 0.410 9.595 ( 0.000 0.000 1.191) 1.191 9.845 ( 0.000 0.000 4.840) 4.840 9.855 ( 0.000 0.000 -3.679) 3.679 10.143 ( 0.000 0.000 -2.795) 2.795 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 15.566 0.000 16.858) 22.945 0.748 ( 17.444 0.000 20.206) 26.694 1.243 ( 32.480 0.000 24.125) 40.460 1.698 ( -6.543 0.000 2.452) 6.988 1.806 ( -2.752 0.000 4.536) 5.305 1.858 ( -14.013 0.000 4.441) 14.700 1.971 ( 1.654 0.000 -13.770) 13.869 2.030 ( -5.548 0.000 -20.829) 21.555 2.289 ( -6.050 0.000 -3.738) 7.111 2.409 ( -1.543 0.000 -0.062) 1.544 2.483 ( 14.626 0.000 -1.579) 14.711 2.498 ( 4.512 0.000 1.553) 4.771 2.528 ( 7.890 0.000 0.503) 7.906 2.678 ( -1.541 0.000 2.856) 3.245 2.724 ( -8.774 0.000 4.811) 10.006 2.815 ( -1.462 0.000 -0.985) 1.763 3.109 ( 11.096 0.000 -14.685) 18.406 3.353 ( -16.044 0.000 0.871) 16.067 3.396 ( -9.705 0.000 -3.620) 10.358 3.822 ( 5.758 0.000 -1.101) 5.862 3.881 ( -4.441 0.000 2.436) 5.066 4.052 ( 0.184 0.000 12.038) 12.039 4.202 ( 6.323 0.000 -1.539) 6.508 4.666 ( -4.525 0.000 -3.744) 5.873 4.960 ( 1.036 0.000 3.481) 3.632 5.044 ( -0.985 0.000 2.841) 3.007 5.240 ( 0.922 0.000 -2.943) 3.084 5.311 ( -0.793 0.000 -3.579) 3.666 5.470 ( 2.502 0.000 1.499) 2.917 5.584 ( 5.747 0.000 -1.099) 5.851 5.907 ( -14.068 0.000 11.169) 17.962 6.236 ( -14.994 0.000 7.377) 16.711 6.469 ( 1.738 0.000 3.991) 4.353 6.587 ( 2.796 0.000 2.394) 3.681 6.801 ( -3.794 0.000 -7.206) 8.144 6.911 ( -4.562 0.000 -5.513) 7.156 7.102 ( 0.974 0.000 0.689) 1.193 7.142 ( 0.512 0.000 -0.255) 0.572 7.251 ( 7.083 0.000 0.415) 7.095 7.303 ( -0.011 0.000 1.316) 1.316 7.321 ( 5.236 0.000 -2.580) 5.837 7.413 ( -2.225 0.000 -1.340) 2.597 7.549 ( 0.313 0.000 4.050) 4.062 7.589 ( 0.368 0.000 0.469) 0.596 7.616 ( -0.214 0.000 -0.153) 0.263 7.633 ( 8.074 0.000 -2.547) 8.466 7.924 ( 0.697 0.000 -0.056) 0.699 7.935 ( -6.637 0.000 5.071) 8.353 7.955 ( -0.110 0.000 -0.671) 0.680 8.117 ( 0.048 0.000 -5.200) 5.200 8.212 ( 0.792 0.000 -6.037) 6.089 8.322 ( -1.414 0.000 -4.460) 4.678 8.595 ( 7.309 0.000 -0.309) 7.316 8.722 ( 7.376 0.000 -2.640) 7.835 9.289 ( -1.276 0.000 0.732) 1.471 9.387 ( 0.884 0.000 -0.510) 1.020 9.565 ( -1.458 0.000 2.999) 3.335 9.811 ( -3.010 0.000 2.401) 3.850 9.939 ( 5.325 0.000 -0.615) 5.360 10.134 ( -0.928 0.000 -2.515) 2.680 ======================= Grid point 67 (24/63) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 20.565 0.000 6.949) 21.707 1.127 ( 21.143 0.000 12.346) 24.483 1.390 ( -17.497 0.000 2.821) 17.723 1.522 ( -19.834 0.000 8.010) 21.390 1.756 ( 12.120 0.000 -5.290) 13.224 1.909 ( -6.388 0.000 -18.205) 19.293 2.050 ( 5.545 0.000 -11.999) 13.218 2.065 ( 25.943 0.000 11.600) 28.418 2.168 ( -6.518 0.000 -7.959) 10.287 2.396 ( -1.693 0.000 7.339) 7.532 2.459 ( -4.071 0.000 8.751) 9.651 2.572 ( 3.489 0.000 2.987) 4.593 2.628 ( -1.705 0.000 2.393) 2.938 2.677 ( 5.320 0.000 0.485) 5.342 2.765 ( -15.552 0.000 6.207) 16.745 2.768 ( -3.617 0.000 -0.713) 3.686 2.973 ( 4.431 0.000 3.951) 5.936 3.217 ( -12.026 0.000 -9.483) 15.315 3.395 ( 14.943 0.000 -15.417) 21.470 3.684 ( -14.296 0.000 -8.349) 16.555 3.957 ( 6.574 0.000 7.171) 9.728 4.045 ( -2.153 0.000 11.521) 11.721 4.360 ( 9.726 0.000 -3.210) 10.242 4.541 ( -8.492 0.000 -3.252) 9.094 4.986 ( 1.644 0.000 3.298) 3.685 5.018 ( -1.611 0.000 3.050) 3.449 5.263 ( 1.424 0.000 -3.104) 3.415 5.291 ( -1.346 0.000 -3.349) 3.609 5.530 ( 4.186 0.000 3.395) 5.389 5.624 ( -4.399 0.000 3.800) 5.813 5.819 ( 6.131 0.000 3.264) 6.946 5.995 ( -10.997 0.000 3.414) 11.514 6.526 ( 3.852 0.000 2.899) 4.821 6.593 ( -2.305 0.000 2.619) 3.489 6.762 ( 0.397 0.000 -9.406) 9.414 6.814 ( -4.638 0.000 -8.590) 9.762 7.126 ( 1.336 0.000 0.443) 1.407 7.145 ( -0.466 0.000 -0.003) 0.466 7.316 ( 1.579 0.000 0.611) 1.693 7.361 ( -2.882 0.000 -0.458) 2.918 7.389 ( 6.002 0.000 7.065) 9.270 7.421 ( 3.788 0.000 2.696) 4.650 7.546 ( 1.800 0.000 3.078) 3.566 7.598 ( 0.592 0.000 0.190) 0.622 7.609 ( -0.510 0.000 -0.055) 0.513 7.674 ( -7.489 0.000 0.021) 7.489 7.886 ( 6.442 0.000 2.600) 6.947 7.939 ( 0.761 0.000 -0.282) 0.812 7.951 ( -0.415 0.000 -0.508) 0.656 8.035 ( -7.228 0.000 -0.694) 7.261 8.249 ( 2.333 0.000 -7.694) 8.040 8.291 ( -1.962 0.000 -6.342) 6.638 8.729 ( 5.610 0.000 -1.973) 5.947 8.788 ( -0.197 0.000 -2.221) 2.230 9.301 ( 2.388 0.000 -2.503) 3.459 9.361 ( -3.181 0.000 -4.352) 5.391 9.599 ( 4.943 0.000 7.562) 9.034 9.716 ( -6.391 0.000 6.052) 8.802 10.035 ( 4.455 0.000 -1.196) 4.612 10.102 ( -2.591 0.000 -1.810) 3.161 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 0.000 18.004 14.599) 23.179 0.761 ( 0.000 18.153 19.003) 26.280 1.323 ( 0.000 36.379 27.330) 45.501 1.706 ( 0.000 2.061 5.825) 6.179 1.837 ( 0.000 -3.959 -9.046) 9.874 2.085 ( 0.000 1.419 -19.551) 19.603 2.100 ( 0.000 5.539 4.716) 7.275 2.208 ( 0.000 1.050 -4.261) 4.389 2.212 ( 0.000 11.822 -3.375) 12.295 2.437 ( 0.000 5.927 -0.372) 5.939 2.480 ( 0.000 2.378 -2.188) 3.232 2.507 ( 0.000 8.323 3.820) 9.158 2.533 ( 0.000 8.915 -2.317) 9.211 2.753 ( 0.000 5.615 1.176) 5.737 2.842 ( 0.000 0.598 2.802) 2.865 2.921 ( 0.000 3.401 7.756) 8.469 2.990 ( 0.000 6.006 -18.205) 19.170 3.443 ( 0.000 1.371 -9.026) 9.129 3.631 ( 0.000 3.752 1.141) 3.922 3.715 ( 0.000 -3.964 -2.205) 4.536 3.947 ( 0.000 1.203 2.478) 2.754 3.982 ( 0.000 -1.520 15.677) 15.750 4.112 ( 0.000 -3.983 -0.449) 4.008 4.645 ( 0.000 -6.348 -3.995) 7.501 5.015 ( 0.000 6.083 2.936) 6.754 5.099 ( 0.000 4.472 4.049) 6.033 5.338 ( 0.000 4.150 -5.077) 6.558 5.450 ( 0.000 12.036 -8.537) 14.756 5.480 ( 0.000 4.542 1.148) 4.685 5.531 ( 0.000 0.876 -0.155) 0.889 6.065 ( 0.000 -6.283 5.230) 8.175 6.443 ( 0.000 -7.687 3.542) 8.464 6.472 ( 0.000 -0.637 7.020) 7.048 6.509 ( 0.000 -1.966 -4.161) 4.602 6.525 ( 0.000 -13.903 12.601) 18.764 6.882 ( 0.000 -0.999 -5.795) 5.880 6.975 ( 0.000 -2.229 -0.699) 2.336 7.121 ( 0.000 1.003 2.018) 2.254 7.174 ( 0.000 -1.536 -0.492) 1.613 7.236 ( 0.000 -0.067 -1.188) 1.189 7.250 ( 0.000 -1.914 -4.649) 5.027 7.366 ( 0.000 -3.003 1.256) 3.255 7.534 ( 0.000 -2.191 3.465) 4.100 7.592 ( 0.000 0.975 0.303) 1.021 7.690 ( 0.000 11.199 -0.621) 11.216 7.741 ( 0.000 9.948 -0.968) 9.995 7.933 ( 0.000 -1.337 -0.068) 1.339 7.951 ( 0.000 3.045 -0.590) 3.102 8.035 ( 0.000 -0.645 6.394) 6.426 8.286 ( 0.000 5.293 -3.880) 6.563 8.346 ( 0.000 1.716 -2.684) 3.185 8.411 ( 0.000 7.793 -11.788) 14.131 8.599 ( 0.000 3.865 2.582) 4.648 8.634 ( 0.000 8.919 -3.829) 9.707 9.290 ( 0.000 -3.827 1.190) 4.008 9.328 ( 0.000 -1.948 -1.489) 2.452 9.556 ( 0.000 -3.642 1.367) 3.890 9.813 ( 0.000 -3.131 5.133) 6.013 9.822 ( 0.000 -2.859 -3.907) 4.842 10.122 ( 0.000 -1.949 -2.862) 3.462 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 14.186 15.503 9.664) 23.130 0.932 ( 14.999 15.446 15.353) 26.443 1.542 ( 16.756 23.110 15.346) 32.408 1.697 ( -7.101 1.579 -0.516) 7.292 1.797 ( 6.096 3.547 8.171) 10.794 1.943 ( -11.198 6.748 3.111) 13.439 2.050 ( -6.962 3.597 -13.861) 15.923 2.120 ( 2.057 9.543 -14.031) 17.093 2.385 ( -5.480 8.622 -3.601) 10.832 2.412 ( -0.562 0.808 -0.215) 1.007 2.457 ( 8.114 -0.026 -0.862) 8.160 2.568 ( 4.148 5.750 1.196) 7.190 2.599 ( 4.667 6.767 3.128) 8.795 2.739 ( 0.615 5.002 0.965) 5.131 2.792 ( -3.605 6.200 5.636) 9.122 2.858 ( -2.042 4.357 -1.141) 4.945 3.143 ( 10.227 3.291 -13.818) 17.503 3.380 ( -8.654 1.871 -7.808) 11.805 3.439 ( -15.711 5.326 3.889) 17.040 3.785 ( 6.399 -3.476 0.637) 7.310 3.872 ( -5.111 -0.664 1.935) 5.505 4.023 ( -0.113 -2.851 10.575) 10.953 4.171 ( 6.283 -2.626 -1.040) 6.888 4.603 ( -4.353 -6.160 -3.647) 8.378 5.025 ( 1.047 6.106 2.988) 6.878 5.094 ( -0.529 4.799 3.792) 6.139 5.330 ( -0.574 4.769 -4.539) 6.608 5.382 ( -2.765 6.858 -2.732) 7.883 5.519 ( 0.890 4.408 -0.370) 4.512 5.608 ( 6.408 3.030 -1.549) 7.256 5.888 ( -10.850 -1.214 9.085) 14.203 6.209 ( -13.076 -2.754 5.532) 14.463 6.464 ( 1.852 -0.230 2.521) 3.137 6.547 ( 3.757 -3.438 3.322) 6.081 6.701 ( 2.112 -7.458 -6.785) 10.301 6.872 ( -3.735 -2.284 -5.756) 7.232 7.062 ( 7.928 -5.503 1.560) 9.776 7.128 ( 1.178 0.661 1.260) 1.847 7.214 ( 3.872 0.267 -1.374) 4.117 7.246 ( 1.008 -3.212 4.339) 5.492 7.295 ( 4.884 -1.334 -1.385) 5.249 7.412 ( 2.246 -0.878 -2.424) 3.419 7.496 ( -2.168 -3.423 4.981) 6.421 7.625 ( 1.964 2.219 -0.894) 3.095 7.702 ( 2.232 6.787 -1.220) 7.248 7.741 ( -0.107 9.727 -1.234) 9.805 7.860 ( -5.918 -3.239 2.608) 7.233 7.948 ( -0.330 2.282 -0.892) 2.472 8.020 ( -1.637 3.707 4.014) 5.704 8.232 ( -8.306 4.242 -2.824) 9.745 8.290 ( -1.820 2.774 -4.369) 5.487 8.343 ( -1.544 3.627 -4.493) 5.977 8.697 ( 5.948 7.477 -4.100) 10.396 8.752 ( 8.086 3.259 -1.721) 8.887 9.248 ( -1.913 -3.676 -0.293) 4.154 9.350 ( 0.412 -3.101 -1.233) 3.362 9.535 ( -0.819 -2.832 3.171) 4.330 9.781 ( -3.057 -2.878 3.515) 5.476 9.892 ( 5.318 -4.019 -1.009) 6.741 10.110 ( -1.329 -2.312 -2.643) 3.754 ======================= Grid point 72 (27/63) ======================= q-point: ( 0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 17.624 9.929 5.656) 21.004 1.257 ( 18.258 11.824 10.660) 24.224 1.440 ( -14.682 5.011 2.960) 15.793 1.604 ( -16.851 7.844 7.272) 19.959 1.812 ( 6.277 4.913 -6.012) 9.984 1.924 ( -5.573 2.468 -15.411) 16.572 2.151 ( 9.637 10.049 -4.652) 14.680 2.239 ( 14.815 12.805 0.255) 19.584 2.270 ( -3.398 9.558 -5.583) 11.579 2.402 ( 2.935 1.289 8.100) 8.711 2.463 ( -1.498 2.357 6.422) 7.003 2.651 ( 3.228 6.622 4.354) 8.557 2.672 ( 2.050 3.853 1.029) 4.484 2.746 ( -0.677 7.463 2.764) 7.987 2.805 ( -3.966 4.780 -1.040) 6.297 2.852 ( -8.686 6.690 1.565) 11.075 3.018 ( -1.710 4.968 6.505) 8.362 3.224 ( -10.873 0.639 -8.665) 13.918 3.416 ( 12.934 2.334 -13.176) 18.611 3.679 ( -13.426 -0.376 -7.145) 15.214 3.924 ( 6.819 -3.092 6.823) 10.130 4.016 ( -2.299 -2.706 10.674) 11.250 4.316 ( 8.892 -4.236 -3.223) 10.364 4.484 ( -8.019 -5.559 -3.199) 10.268 5.051 ( 1.520 6.008 3.101) 6.929 5.078 ( -1.194 5.514 3.344) 6.559 5.328 ( 0.455 4.964 -3.344) 6.003 5.346 ( -1.358 5.143 -2.728) 5.978 5.555 ( 3.280 2.500 2.809) 4.990 5.638 ( -4.405 1.449 3.779) 5.983 5.836 ( 6.029 1.854 1.852) 6.574 5.995 ( -9.789 -0.025 2.397) 10.079 6.514 ( 3.097 -1.029 1.961) 3.808 6.565 ( -1.640 -2.581 2.230) 3.784 6.725 ( 1.971 -2.712 -8.734) 9.356 6.786 ( -4.331 -2.023 -7.643) 9.015 7.138 ( 1.717 0.210 2.025) 2.663 7.156 ( 0.191 0.303 1.594) 1.634 7.294 ( 3.450 -5.905 4.927) 8.428 7.316 ( 5.726 0.450 0.443) 5.761 7.348 ( -0.947 -4.758 4.153) 6.386 7.401 ( -2.933 2.132 -1.245) 3.834 7.513 ( 5.434 -1.649 2.703) 6.289 7.639 ( -3.616 -0.453 -0.500) 3.678 7.713 ( -1.547 4.994 -0.832) 5.294 7.727 ( -1.297 8.702 -1.412) 8.911 7.836 ( 6.127 -2.063 -1.084) 6.556 7.932 ( -2.014 -0.302 -1.971) 2.834 7.999 ( 0.037 4.246 3.146) 5.284 8.064 ( -7.599 2.416 1.148) 8.056 8.291 ( 0.945 2.604 -5.255) 5.940 8.315 ( -1.483 2.270 -5.049) 5.731 8.800 ( 4.291 5.499 -1.862) 7.219 8.839 ( 0.848 4.731 -1.633) 5.076 9.252 ( 2.401 -4.515 -3.142) 6.002 9.317 ( -3.509 -4.024 -4.783) 7.168 9.575 ( 4.950 -2.194 7.575) 9.311 9.689 ( -6.129 -2.517 6.425) 9.229 9.993 ( 4.862 -3.833 -1.484) 6.366 10.069 ( -3.058 -3.118 -2.052) 4.825 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.000 24.994 2.606) 25.129 1.175 ( 0.000 21.688 10.579) 24.131 1.784 ( 0.000 5.367 6.523) 8.447 1.801 ( 0.000 1.024 -8.124) 8.188 2.060 ( 0.000 26.506 5.216) 27.014 2.171 ( 0.000 12.906 -6.651) 14.519 2.241 ( 0.000 8.067 3.274) 8.706 2.253 ( 0.000 5.624 -2.038) 5.982 2.415 ( 0.000 7.845 -2.390) 8.201 2.534 ( 0.000 4.744 -0.095) 4.744 2.603 ( 0.000 8.481 0.653) 8.506 2.716 ( 0.000 9.373 4.918) 10.585 2.729 ( 0.000 8.252 0.710) 8.282 2.860 ( 0.000 2.782 -0.507) 2.828 2.912 ( 0.000 9.956 -1.533) 10.074 3.036 ( 0.000 7.686 3.751) 8.553 3.174 ( 0.000 13.048 -10.819) 16.950 3.489 ( 0.000 2.926 -10.504) 10.904 3.619 ( 0.000 -5.185 1.792) 5.486 3.733 ( 0.000 5.932 0.439) 5.949 3.933 ( 0.000 -3.392 11.178) 11.681 3.997 ( 0.000 3.424 0.547) 3.467 4.024 ( 0.000 -3.510 1.770) 3.931 4.462 ( 0.000 -11.539 -3.230) 11.982 5.167 ( 0.000 8.461 2.458) 8.811 5.232 ( 0.000 8.532 5.371) 10.082 5.434 ( 0.000 5.286 -3.416) 6.294 5.535 ( 0.000 1.077 0.778) 1.329 5.606 ( 0.000 7.534 -0.520) 7.552 5.679 ( 0.000 8.912 -5.521) 10.484 5.957 ( 0.000 -3.204 3.610) 4.827 6.206 ( 0.000 -12.828 0.900) 12.859 6.410 ( 0.000 -0.639 6.403) 6.435 6.491 ( 0.000 1.490 1.536) 2.140 6.520 ( 0.000 1.168 -4.853) 4.991 6.868 ( 0.000 -0.726 -3.957) 4.024 6.951 ( 0.000 -0.010 -1.122) 1.122 7.104 ( 0.000 -3.124 1.363) 3.408 7.122 ( 0.000 -0.474 2.863) 2.902 7.180 ( 0.000 -3.412 -6.876) 7.676 7.315 ( 0.000 -2.283 1.703) 2.848 7.332 ( 0.000 5.902 2.419) 6.379 7.487 ( 0.000 -2.460 3.511) 4.287 7.609 ( 0.000 0.014 3.366) 3.366 7.887 ( 0.000 6.907 -3.595) 7.787 7.934 ( 0.000 2.515 -1.214) 2.793 7.934 ( 0.000 7.182 -1.405) 7.318 7.994 ( 0.000 -1.694 6.089) 6.320 8.029 ( 0.000 4.038 -2.683) 4.848 8.319 ( 0.000 -0.340 -0.545) 0.643 8.433 ( 0.000 -1.267 -1.598) 2.039 8.463 ( 0.000 7.523 -3.457) 8.280 8.711 ( 0.000 6.658 0.387) 6.669 8.754 ( 0.000 2.587 -0.194) 2.594 9.187 ( 0.000 -5.938 0.770) 5.988 9.293 ( 0.000 -1.747 -4.495) 4.822 9.468 ( 0.000 -4.416 2.010) 4.852 9.729 ( 0.000 -4.852 5.888) 7.630 9.754 ( 0.000 -3.554 -4.358) 5.624 10.069 ( 0.000 -3.239 -3.014) 4.424 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 7.961 22.085 2.780) 23.640 1.298 ( 11.523 19.745 9.095) 24.604 1.727 ( -6.197 4.318 -3.767) 8.440 1.806 ( 2.245 5.820 4.532) 7.710 2.091 ( -7.555 7.743 -6.952) 12.859 2.160 ( -7.956 7.897 -1.524) 11.313 2.202 ( 9.181 17.827 0.980) 20.076 2.316 ( 9.106 18.543 2.903) 20.861 2.439 ( 1.920 2.258 -0.811) 3.073 2.509 ( -0.364 5.805 0.151) 5.819 2.586 ( -4.920 8.424 -0.797) 9.788 2.689 ( 2.778 7.001 1.171) 7.622 2.807 ( 2.980 10.983 3.937) 12.042 2.854 ( 2.575 4.991 -0.520) 5.640 2.943 ( 2.004 9.964 -0.816) 10.197 3.004 ( -2.301 10.021 2.619) 10.610 3.247 ( 5.198 7.702 -10.450) 13.984 3.438 ( -4.504 4.119 -8.353) 10.345 3.604 ( -13.000 9.950 4.554) 16.992 3.699 ( 6.062 -4.139 1.375) 7.468 3.856 ( -6.836 -0.815 2.812) 7.437 3.942 ( 0.387 -4.769 6.897) 8.394 4.118 ( 3.970 -2.296 -0.617) 4.627 4.426 ( -3.752 -11.144 -3.039) 12.145 5.179 ( 1.110 8.521 2.533) 8.959 5.230 ( -0.202 8.460 4.850) 9.753 5.430 ( -0.280 5.262 -3.153) 6.140 5.496 ( -2.720 4.146 0.081) 4.960 5.607 ( 0.141 4.679 -0.675) 4.730 5.718 ( 1.874 6.137 -1.127) 6.515 5.888 ( -4.025 1.731 2.054) 4.839 6.117 ( -6.935 -6.304 1.448) 9.483 6.459 ( 3.366 -1.319 2.253) 4.260 6.484 ( 0.766 -0.625 1.661) 1.933 6.609 ( 4.991 -1.683 -5.808) 7.841 6.834 ( -3.892 -1.577 -5.107) 6.612 7.001 ( 6.134 -0.833 1.001) 6.271 7.119 ( 1.115 -2.319 1.634) 3.048 7.143 ( 1.494 -2.636 4.522) 5.443 7.230 ( 3.749 -1.922 -1.595) 4.504 7.321 ( 2.855 1.616 -1.396) 3.565 7.382 ( 0.965 -1.077 0.016) 1.446 7.445 ( -0.096 -0.643 6.491) 6.523 7.638 ( 0.322 -1.471 0.414) 1.561 7.842 ( -2.705 2.755 -2.397) 4.544 7.851 ( -4.260 4.989 -1.375) 6.703 7.940 ( -0.305 8.241 -2.693) 8.675 8.010 ( -1.311 4.259 -2.415) 5.068 8.066 ( 2.631 1.404 3.529) 4.621 8.270 ( -7.455 -0.311 -0.921) 7.518 8.332 ( -2.833 2.486 0.769) 3.847 8.434 ( -3.286 4.983 -2.057) 6.314 8.808 ( 4.641 3.224 -0.155) 5.653 8.827 ( 8.315 3.831 -1.267) 9.242 9.154 ( -2.408 -5.475 -2.028) 6.316 9.291 ( -1.047 -2.236 -3.723) 4.467 9.467 ( 0.713 -3.335 3.741) 5.063 9.704 ( -2.722 -4.435 5.595) 7.641 9.799 ( 4.311 -4.837 -2.606) 6.984 10.048 ( -2.211 -3.707 -2.887) 5.193 ======================= Grid point 77 (30/63) ======================= q-point: ( 0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 10.782 15.783 3.158) 19.374 1.549 ( 9.785 15.182 5.380) 18.846 1.594 ( -3.979 10.894 3.391) 12.084 1.811 ( -8.148 11.686 4.335) 14.891 1.935 ( -1.184 7.332 -2.673) 7.894 2.013 ( -6.275 6.169 -8.627) 12.323 2.332 ( 3.889 5.346 -7.729) 10.171 2.384 ( -2.866 4.093 -1.749) 5.294 2.473 ( -0.681 6.907 1.184) 7.041 2.507 ( -0.861 8.027 -2.261) 8.384 2.707 ( 18.884 20.243 8.783) 29.043 2.756 ( 5.007 5.253 -1.048) 7.332 2.835 ( 0.621 10.216 1.262) 10.313 2.929 ( 1.999 8.491 0.249) 8.727 2.960 ( -1.528 10.586 2.967) 11.099 3.019 ( 4.196 10.965 -1.860) 11.887 3.199 ( -13.980 11.410 5.652) 18.910 3.260 ( -10.173 5.568 -3.643) 12.155 3.496 ( 6.618 5.746 -6.327) 10.810 3.674 ( -10.420 -0.018 -3.448) 10.976 3.845 ( 7.264 -4.164 5.193) 9.852 3.947 ( -2.378 -3.709 7.531) 8.725 4.200 ( 5.817 -6.930 -3.184) 9.592 4.326 ( -6.494 -9.829 -2.873) 12.126 5.203 ( 1.261 8.524 2.816) 9.065 5.222 ( -0.687 8.407 3.662) 9.195 5.431 ( 0.588 5.063 -2.155) 5.534 5.454 ( -1.729 4.896 -1.040) 5.295 5.624 ( 1.968 3.944 1.763) 4.747 5.684 ( -3.977 2.987 3.512) 6.089 5.899 ( 4.094 4.281 -1.551) 6.123 5.995 ( -5.723 -0.020 -0.093) 5.724 6.495 ( 1.182 -0.616 0.087) 1.335 6.506 ( 0.364 -2.620 1.151) 2.885 6.685 ( 3.499 -1.130 -6.230) 7.234 6.754 ( -4.004 -1.019 -5.751) 7.081 7.119 ( 4.311 -1.508 2.719) 5.315 7.144 ( 0.926 -1.842 2.414) 3.175 7.169 ( 2.127 -5.446 6.726) 8.912 7.236 ( -3.289 -4.695 5.843) 8.185 7.376 ( 3.783 2.939 -1.222) 4.944 7.437 ( 1.424 0.297 -4.918) 5.128 7.482 ( 4.210 -0.929 4.208) 6.024 7.593 ( -4.437 -2.975 -0.384) 5.356 7.797 ( 0.282 2.390 -3.911) 4.592 7.831 ( -0.787 2.135 -5.408) 5.867 7.929 ( 0.361 8.680 -3.081) 9.218 7.971 ( -2.847 5.319 -3.706) 7.080 8.085 ( 0.262 3.951 4.333) 5.869 8.126 ( -5.222 3.506 3.570) 7.232 8.330 ( 1.405 1.509 -0.183) 2.069 8.372 ( -2.870 2.848 -1.158) 4.206 8.896 ( 3.998 2.927 0.223) 4.960 8.933 ( 1.348 3.377 -0.077) 3.637 9.147 ( 2.735 -5.040 -5.533) 7.968 9.232 ( -4.778 -3.232 -6.150) 8.432 9.523 ( 4.849 -2.687 7.333) 9.193 9.625 ( -5.280 -3.505 6.934) 9.394 9.896 ( 5.288 -5.473 -2.202) 7.922 9.987 ( -4.116 -4.769 -2.524) 6.786 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.000 20.015 5.932) 20.875 1.607 ( 0.000 22.394 -0.019) 22.394 1.864 ( 0.000 5.536 -2.510) 6.078 1.922 ( 0.000 7.159 3.424) 7.935 2.219 ( 0.000 4.164 -10.985) 11.748 2.296 ( 0.000 3.102 -3.945) 5.018 2.409 ( 0.000 8.301 0.394) 8.310 2.551 ( 0.000 6.264 0.495) 6.284 2.591 ( 0.000 6.738 -0.475) 6.755 2.754 ( 0.000 2.897 2.992) 4.164 2.775 ( 0.000 9.374 5.851) 11.050 2.826 ( 0.000 2.536 3.994) 4.731 2.936 ( 0.000 19.299 -1.760) 19.379 2.994 ( 0.000 16.721 -0.108) 16.722 3.081 ( 0.000 5.610 -1.208) 5.739 3.213 ( 0.000 8.855 3.689) 9.593 3.502 ( 0.000 8.917 -7.326) 11.541 3.528 ( 0.000 6.635 -7.233) 9.815 3.544 ( 0.000 -0.718 5.673) 5.718 3.851 ( 0.000 4.921 -2.172) 5.379 3.879 ( 0.000 1.512 7.441) 7.593 4.022 ( 0.000 3.745 2.196) 4.342 4.069 ( 0.000 2.501 -1.494) 2.913 4.205 ( 0.000 -12.166 -0.440) 12.174 5.348 ( 0.000 9.401 3.992) 10.214 5.415 ( 0.000 8.840 3.632) 9.558 5.541 ( 0.000 4.991 -1.954) 5.360 5.569 ( 0.000 2.613 1.247) 2.896 5.765 ( 0.000 7.884 -2.132) 8.167 5.815 ( 0.000 4.189 0.394) 4.207 5.937 ( 0.000 1.071 -2.199) 2.446 5.970 ( 0.000 -10.098 0.037) 10.098 6.427 ( 0.000 1.908 3.211) 3.735 6.537 ( 0.000 3.011 -2.150) 3.700 6.539 ( 0.000 0.627 -3.801) 3.852 6.832 ( 0.000 -2.852 -4.614) 5.424 6.992 ( 0.000 3.984 -0.396) 4.004 7.068 ( 0.000 -0.561 3.430) 3.476 7.119 ( 0.000 0.427 3.680) 3.705 7.121 ( 0.000 -2.208 -4.186) 4.733 7.272 ( 0.000 -1.965 0.406) 2.007 7.402 ( 0.000 -1.829 3.425) 3.883 7.479 ( 0.000 4.097 0.945) 4.204 7.574 ( 0.000 -3.415 8.301) 8.976 7.923 ( 0.000 -3.947 2.147) 4.493 7.952 ( 0.000 1.721 -8.887) 9.052 7.989 ( 0.000 -0.969 1.878) 2.113 8.030 ( 0.000 4.064 -2.883) 4.982 8.154 ( 0.000 5.245 -6.760) 8.556 8.306 ( 0.000 -0.680 1.520) 1.665 8.424 ( 0.000 1.672 4.150) 4.474 8.598 ( 0.000 5.463 -3.748) 6.625 8.786 ( 0.000 1.439 2.251) 2.672 8.833 ( 0.000 4.618 0.446) 4.639 9.071 ( 0.000 -5.127 0.233) 5.132 9.245 ( 0.000 -3.241 -4.380) 5.449 9.407 ( 0.000 -1.115 2.394) 2.641 9.635 ( 0.000 -4.005 6.600) 7.720 9.691 ( 0.000 -2.525 -4.128) 4.839 9.997 ( 0.000 -3.815 -3.094) 4.912 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.20 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 3.395 20.471 0.633) 20.760 1.691 ( 8.750 18.724 4.710) 21.197 1.846 ( -2.011 7.349 -2.593) 8.048 1.941 ( 2.877 7.256 4.838) 9.183 2.216 ( -3.991 4.824 -8.769) 10.775 2.329 ( 5.349 4.804 -6.788) 9.887 2.356 ( -7.113 9.785 3.122) 12.494 2.497 ( -0.870 3.839 -2.184) 4.502 2.592 ( -0.681 6.332 -1.216) 6.483 2.699 ( -5.513 4.744 3.723) 8.170 2.794 ( 0.444 5.498 0.206) 5.519 2.867 ( 5.744 3.020 1.492) 6.659 2.959 ( 2.596 11.406 -1.256) 11.765 3.042 ( 5.280 18.669 5.031) 20.043 3.159 ( 5.071 11.865 0.449) 12.911 3.204 ( -0.227 8.126 1.977) 8.366 3.452 ( -3.768 7.766 -3.251) 9.223 3.548 ( 1.684 7.212 -4.925) 8.894 3.615 ( 5.944 -1.031 1.337) 6.179 3.825 ( -4.584 7.003 5.801) 10.184 3.880 ( 2.046 0.633 0.279) 2.160 3.885 ( -11.074 8.258 1.920) 13.947 4.080 ( -1.236 -2.212 -1.683) 3.042 4.181 ( -2.544 -11.356 -0.730) 11.661 5.358 ( 0.961 9.173 3.583) 9.894 5.409 ( -0.544 8.611 3.107) 9.170 5.535 ( -0.468 4.936 -1.580) 5.204 5.565 ( -0.580 3.396 1.175) 3.640 5.720 ( -2.543 6.183 -1.121) 6.779 5.804 ( -2.219 2.479 2.344) 4.070 5.948 ( 1.431 1.291 -3.253) 3.781 5.987 ( 1.069 -3.668 -1.222) 4.011 6.445 ( 1.710 0.684 2.689) 3.260 6.506 ( -0.858 1.691 -1.764) 2.590 6.603 ( 3.922 0.798 -4.029) 5.679 6.801 ( -2.942 -1.981 -4.928) 6.071 7.015 ( 2.649 1.744 1.255) 3.411 7.066 ( -0.002 -1.836 3.143) 3.639 7.115 ( 0.234 -0.646 3.706) 3.769 7.196 ( 4.297 -1.181 -0.815) 4.530 7.285 ( 1.219 -3.153 -0.625) 3.437 7.367 ( -0.837 -1.230 3.573) 3.870 7.491 ( 1.277 2.931 3.759) 4.934 7.588 ( -0.182 -2.218 0.451) 2.271 7.851 ( -3.940 -2.138 -2.594) 5.179 7.922 ( -2.576 1.568 -7.479) 8.064 8.040 ( 2.736 1.930 1.314) 3.597 8.092 ( 4.494 2.741 -0.112) 5.265 8.133 ( -1.729 4.568 -5.417) 7.294 8.272 ( -3.203 1.128 1.422) 3.681 8.378 ( -3.352 2.460 5.406) 6.820 8.527 ( -6.161 3.885 -0.601) 7.309 8.819 ( 3.895 -0.239 -0.789) 3.981 8.922 ( 5.554 3.746 2.090) 7.018 9.047 ( -1.143 -4.241 -3.566) 5.658 9.253 ( -0.209 -2.063 -4.016) 4.519 9.421 ( 1.699 -0.886 3.570) 4.052 9.616 ( -2.007 -3.892 6.669) 7.979 9.712 ( 2.527 -3.510 -3.356) 5.474 9.967 ( -3.032 -4.136 -2.994) 5.938 ======================= Grid point 82 (33/63) ======================= q-point: ( 0.40 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 4.267 15.700 1.526) 16.341 1.792 ( -3.121 11.091 0.779) 11.548 1.894 ( 10.970 15.043 1.188) 18.656 2.027 ( 4.529 10.075 3.447) 11.571 2.101 ( -6.449 7.762 -5.196) 11.351 2.189 ( -8.634 12.031 3.353) 15.184 2.417 ( 2.576 4.251 -5.134) 7.146 2.463 ( -2.764 4.085 -1.605) 5.187 2.594 ( 1.305 5.237 -2.644) 6.010 2.634 ( -2.134 4.826 -2.335) 5.770 2.837 ( 4.495 1.914 -4.571) 6.691 2.912 ( -1.743 3.051 -2.626) 4.387 3.040 ( 5.038 4.687 3.004) 7.508 3.109 ( -1.326 6.171 4.060) 7.505 3.258 ( 5.290 9.090 0.207) 10.519 3.289 ( 11.941 24.465 5.365) 27.747 3.364 ( -5.146 8.522 -1.197) 10.027 3.544 ( -7.459 15.284 1.116) 17.043 3.660 ( -5.644 10.218 2.339) 11.905 3.686 ( -2.542 1.672 2.417) 3.886 3.798 ( 5.506 1.901 2.021) 6.166 3.902 ( -2.270 0.480 0.614) 2.400 4.054 ( 0.715 -6.932 -2.764) 7.496 4.114 ( -4.147 -9.597 -1.632) 10.581 5.379 ( 1.051 8.670 2.633) 9.122 5.396 ( -0.810 8.410 2.334) 8.765 5.531 ( 0.248 4.940 -0.573) 4.980 5.546 ( -1.172 4.644 0.326) 4.800 5.705 ( 1.016 4.090 1.359) 4.428 5.747 ( -3.095 3.026 2.716) 5.110 5.978 ( 1.464 1.438 -3.213) 3.812 5.996 ( -0.250 1.488 -2.758) 3.144 6.479 ( 1.488 0.015 1.269) 1.956 6.497 ( -0.475 0.871 -0.134) 1.001 6.675 ( 3.535 0.075 -4.459) 5.691 6.739 ( -3.287 -0.716 -4.498) 5.617 7.060 ( 1.657 -4.055 5.510) 7.039 7.087 ( 0.715 -2.399 2.450) 3.503 7.115 ( 0.955 -1.346 3.443) 3.818 7.170 ( -3.549 -1.789 5.840) 7.064 7.404 ( 8.130 -1.835 -1.532) 8.474 7.409 ( 4.354 -0.308 -2.588) 5.075 7.474 ( -2.886 -0.844 1.638) 3.424 7.552 ( -4.928 -1.052 -1.867) 5.374 7.810 ( 1.114 -0.539 -6.902) 7.012 7.869 ( -3.500 1.380 -8.271) 9.087 8.089 ( 1.857 6.909 -0.778) 7.196 8.100 ( -0.569 5.729 -3.039) 6.510 8.156 ( 1.869 2.918 4.228) 5.466 8.209 ( -3.231 5.148 3.207) 6.872 8.347 ( 1.071 -0.260 4.376) 4.512 8.413 ( -5.199 1.055 1.545) 5.525 8.894 ( 3.511 -1.765 -0.746) 4.000 8.948 ( -2.020 -2.052 1.267) 3.146 9.102 ( 5.931 1.099 -5.898) 8.437 9.208 ( -4.486 0.135 -5.276) 6.926 9.478 ( 4.091 -1.495 6.081) 7.480 9.558 ( -3.912 -2.893 6.650) 8.240 9.788 ( 5.075 -4.917 -2.634) 7.541 9.888 ( -5.065 -4.821 -2.742) 7.511 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 0.000 13.490 2.144) 13.660 2.005 ( 0.000 16.795 -0.561) 16.804 2.014 ( 0.000 10.300 1.287) 10.380 2.054 ( 0.000 5.578 2.744) 6.216 2.265 ( 0.000 0.264 -4.546) 4.553 2.364 ( 0.000 3.932 -3.414) 5.207 2.562 ( 0.000 6.544 -1.805) 6.789 2.675 ( 0.000 5.999 1.845) 6.277 2.706 ( 0.000 3.103 2.131) 3.764 2.752 ( 0.000 0.172 -5.780) 5.783 2.855 ( 0.000 0.972 3.440) 3.574 2.931 ( 0.000 6.177 -1.131) 6.280 3.015 ( 0.000 1.235 1.293) 1.788 3.130 ( 0.000 -0.851 2.352) 2.501 3.323 ( 0.000 2.280 7.699) 8.030 3.444 ( 0.000 -4.214 -5.451) 6.890 3.564 ( 0.000 13.981 -4.458) 14.675 3.650 ( 0.000 -1.419 -1.854) 2.334 3.653 ( 0.000 17.855 1.624) 17.929 3.929 ( 0.000 -7.029 4.256) 8.217 3.952 ( 0.000 6.328 -4.955) 8.038 4.087 ( 0.000 10.371 -0.086) 10.371 4.173 ( 0.000 14.000 2.986) 14.315 4.201 ( 0.000 6.058 1.840) 6.331 5.533 ( 0.000 8.510 4.754) 9.748 5.563 ( 0.000 5.545 1.186) 5.670 5.614 ( 0.000 2.971 -0.805) 3.078 5.655 ( 0.000 5.014 1.099) 5.133 5.817 ( 0.000 -4.587 0.659) 4.634 5.842 ( 0.000 -0.788 0.272) 0.833 5.914 ( 0.000 6.515 -3.658) 7.472 5.989 ( 0.000 3.178 -2.222) 3.878 6.478 ( 0.000 3.095 0.575) 3.148 6.550 ( 0.000 0.639 -1.250) 1.404 6.607 ( 0.000 3.690 -3.435) 5.042 6.768 ( 0.000 -3.091 -4.957) 5.841 7.067 ( 0.000 0.244 1.353) 1.375 7.072 ( 0.000 2.304 0.210) 2.313 7.101 ( 0.000 0.264 1.887) 1.905 7.158 ( 0.000 4.253 3.432) 5.465 7.240 ( 0.000 -1.078 -0.555) 1.212 7.331 ( 0.000 -4.231 3.756) 5.658 7.484 ( 0.000 -5.165 8.938) 10.323 7.571 ( 0.000 4.199 -1.714) 4.535 7.832 ( 0.000 -5.001 0.012) 5.001 7.943 ( 0.000 -3.189 2.078) 3.807 7.958 ( 0.000 -1.338 -12.687) 12.757 8.062 ( 0.000 -1.174 -0.990) 1.536 8.201 ( 0.000 0.659 -3.882) 3.938 8.303 ( 0.000 0.526 1.624) 1.707 8.514 ( 0.000 6.141 3.945) 7.299 8.677 ( 0.000 2.466 -3.345) 4.156 8.822 ( 0.000 1.937 1.700) 2.577 8.883 ( 0.000 0.634 1.781) 1.891 8.994 ( 0.000 -2.520 0.302) 2.538 9.162 ( 0.000 -4.858 -3.077) 5.751 9.429 ( 0.000 2.930 1.394) 3.245 9.585 ( 0.000 -0.728 6.082) 6.126 9.655 ( 0.000 -1.106 -3.116) 3.307 9.918 ( 0.000 -4.072 -2.930) 5.017 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 0.013 10.391 1.017) 10.440 2.018 ( -0.685 9.381 0.119) 9.406 2.031 ( 4.875 14.537 0.840) 15.355 2.102 ( 5.839 10.020 3.649) 12.157 2.280 ( -0.512 1.765 -4.495) 4.856 2.416 ( 5.697 4.204 -4.600) 8.444 2.552 ( -2.559 8.472 0.218) 8.853 2.591 ( -3.235 5.663 -0.908) 6.584 2.716 ( -2.224 4.915 -0.409) 5.410 2.767 ( 0.952 -1.785 -2.415) 3.150 2.799 ( -3.914 3.389 -0.059) 5.177 2.950 ( 2.092 3.921 -0.393) 4.462 3.040 ( 1.600 1.329 5.025) 5.438 3.159 ( 1.843 -2.584 4.597) 5.586 3.321 ( -0.459 3.894 -0.324) 3.934 3.456 ( 2.426 -4.618 -1.036) 5.318 3.570 ( -0.301 5.567 -0.469) 5.595 3.639 ( 1.200 5.740 -3.834) 7.007 3.709 ( 3.929 13.807 0.867) 14.381 3.865 ( -4.559 -4.422 1.279) 6.479 3.991 ( 2.244 7.902 -1.943) 8.441 4.059 ( -3.491 6.339 -1.083) 7.318 4.144 ( -4.984 10.370 2.834) 11.849 4.160 ( -1.328 13.558 2.984) 13.945 5.535 ( 0.174 7.747 3.442) 8.479 5.557 ( -0.400 6.033 0.534) 6.070 5.615 ( 0.204 3.496 -0.201) 3.508 5.659 ( 0.269 5.613 2.087) 5.994 5.829 ( -1.162 0.100 0.550) 1.290 5.842 ( -4.109 5.273 -1.550) 6.862 5.866 ( 3.902 -3.271 -0.556) 5.122 6.035 ( 1.963 2.566 -3.435) 4.716 6.481 ( 0.535 2.622 0.917) 2.829 6.539 ( -0.663 1.564 -0.234) 1.715 6.636 ( 2.544 2.298 -3.630) 4.993 6.755 ( -1.371 -2.274 -4.858) 5.536 7.025 ( -2.020 -0.470 2.895) 3.561 7.063 ( -0.517 0.722 2.553) 2.703 7.129 ( -3.584 1.216 2.987) 4.821 7.182 ( 4.512 0.179 -0.460) 4.539 7.225 ( -0.062 -2.506 1.506) 2.925 7.349 ( 3.113 -0.234 2.537) 4.023 7.469 ( -0.997 -3.747 4.269) 5.767 7.607 ( 0.893 2.520 -2.534) 3.684 7.776 ( -3.217 -4.356 -3.845) 6.642 7.925 ( -1.723 -1.224 -9.258) 9.496 8.013 ( 5.456 -3.485 3.404) 7.315 8.139 ( 5.675 0.335 -0.359) 5.697 8.194 ( 0.305 2.151 -3.063) 3.755 8.287 ( -1.674 0.086 2.343) 2.881 8.455 ( -5.587 5.064 3.687) 8.393 8.592 ( -7.595 2.800 -0.515) 8.111 8.825 ( 2.410 0.882 -0.941) 2.733 8.938 ( -0.345 -1.110 3.092) 3.303 9.018 ( 5.280 0.238 -2.851) 6.005 9.194 ( 2.134 -3.872 -2.637) 5.148 9.437 ( 0.979 2.342 2.064) 3.272 9.565 ( -1.872 -0.847 5.698) 6.057 9.662 ( 0.964 -1.635 -2.593) 3.213 9.884 ( -3.402 -4.139 -2.806) 6.048 ======================= Grid point 87 (36/63) ======================= q-point: ( 0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 0.723 9.529 1.309) 9.646 1.997 ( -1.113 8.701 1.249) 8.860 2.138 ( 5.441 10.064 -2.257) 11.661 2.225 ( -1.924 5.929 -1.921) 6.523 2.273 ( 8.274 12.149 2.208) 14.864 2.447 ( -7.375 11.846 1.706) 14.058 2.510 ( 2.451 5.201 -3.590) 6.778 2.551 ( -2.434 4.791 -2.776) 6.049 2.689 ( 0.484 3.919 -1.337) 4.169 2.723 ( -2.942 4.371 0.671) 5.311 2.834 ( 6.130 -0.965 -5.839) 8.520 2.947 ( -3.817 0.558 -2.928) 4.843 3.083 ( 3.316 0.043 6.556) 7.347 3.150 ( -3.013 -1.067 6.533) 7.273 3.347 ( 4.295 -0.018 -0.643) 4.342 3.451 ( -4.976 0.450 1.860) 5.331 3.641 ( 8.960 0.179 1.154) 9.035 3.682 ( 3.148 0.709 -4.385) 5.444 3.759 ( -2.703 0.665 -1.788) 3.308 3.793 ( -1.831 4.659 -0.980) 5.101 3.953 ( -3.997 9.226 2.450) 10.349 3.993 ( -3.658 14.631 1.219) 15.130 4.091 ( 1.183 12.297 1.212) 12.413 4.130 ( -1.975 13.651 1.540) 13.879 5.542 ( 0.517 7.262 1.295) 7.394 5.551 ( -0.364 6.944 0.428) 6.967 5.627 ( 1.126 4.717 0.489) 4.874 5.653 ( -1.136 5.817 1.191) 6.045 5.787 ( -0.813 3.952 0.912) 4.137 5.801 ( -1.583 2.232 1.599) 3.169 5.958 ( 4.892 -1.969 -2.267) 5.740 6.032 ( -2.355 0.389 -3.441) 4.188 6.504 ( 1.650 2.243 1.459) 3.144 6.528 ( -0.746 2.120 1.091) 2.498 6.685 ( 2.253 0.747 -3.557) 4.276 6.722 ( -1.884 -0.925 -3.898) 4.428 6.998 ( -0.359 -1.996 4.277) 4.733 7.028 ( -3.481 -2.871 3.858) 5.937 7.098 ( 2.253 -0.586 2.196) 3.200 7.158 ( -3.274 0.010 3.269) 4.627 7.346 ( 8.408 -2.822 -4.486) 9.939 7.417 ( 2.855 0.622 2.660) 3.952 7.452 ( -0.745 -1.084 0.316) 1.353 7.527 ( -7.694 -1.681 -4.047) 8.854 7.795 ( 3.946 -0.704 -7.164) 8.209 7.873 ( -3.669 -0.917 -9.028) 9.788 8.137 ( 6.319 -2.040 7.464) 9.991 8.201 ( 3.308 3.010 0.202) 4.477 8.225 ( -2.356 3.846 1.985) 4.928 8.298 ( 6.117 -1.826 0.504) 6.404 8.324 ( -7.239 3.992 3.172) 8.855 8.440 ( -7.921 2.351 -0.191) 8.264 8.876 ( 2.383 0.320 -0.735) 2.515 8.912 ( -1.584 -0.660 0.376) 1.756 9.129 ( 5.290 0.449 -2.871) 6.035 9.201 ( -1.873 -1.398 -3.121) 3.899 9.470 ( 2.406 0.763 3.747) 4.518 9.521 ( -2.699 -0.588 5.006) 5.718 9.706 ( 3.889 -3.146 -2.237) 5.480 9.798 ( -5.214 -4.070 -2.479) 7.064 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 0.000 5.465 1.514) 5.670 2.144 ( 0.000 4.387 2.584) 5.091 2.245 ( 0.000 -1.042 -0.501) 1.157 2.265 ( 0.000 11.365 0.749) 11.390 2.270 ( 0.000 8.250 -1.367) 8.363 2.446 ( 0.000 3.825 -2.443) 4.538 2.650 ( 0.000 -4.021 -0.547) 4.058 2.661 ( 0.000 3.091 -1.241) 3.331 2.787 ( 0.000 4.916 0.680) 4.963 2.834 ( 0.000 4.095 -2.655) 4.881 2.882 ( 0.000 1.813 3.576) 4.009 2.976 ( 0.000 -0.338 0.041) 0.341 3.065 ( 0.000 -4.269 2.929) 5.177 3.088 ( 0.000 4.381 1.454) 4.616 3.314 ( 0.000 -3.418 6.177) 7.060 3.378 ( 0.000 -2.535 -6.368) 6.854 3.526 ( 0.000 -5.228 -5.038) 7.261 3.591 ( 0.000 -3.451 2.211) 4.099 3.989 ( 0.000 9.011 4.264) 9.969 4.044 ( 0.000 11.659 -7.119) 13.661 4.069 ( 0.000 5.039 -5.511) 7.467 4.207 ( 0.000 3.529 -1.927) 4.020 4.386 ( 0.000 12.746 7.301) 14.690 4.494 ( 0.000 13.804 2.663) 14.059 5.630 ( 0.000 2.027 -0.371) 2.061 5.668 ( 0.000 2.225 -1.675) 2.785 5.673 ( 0.000 4.252 1.056) 4.381 5.749 ( 0.000 3.431 1.417) 3.712 5.793 ( 0.000 2.112 3.913) 4.446 5.811 ( 0.000 -1.301 -0.782) 1.518 6.019 ( 0.000 3.524 -3.846) 5.217 6.040 ( 0.000 1.633 -0.061) 1.634 6.547 ( 0.000 3.566 -1.179) 3.755 6.574 ( 0.000 1.993 0.623) 2.088 6.673 ( 0.000 2.457 -3.436) 4.225 6.717 ( 0.000 -2.048 -4.078) 4.563 7.080 ( 0.000 1.057 -0.545) 1.189 7.082 ( 0.000 -0.425 0.287) 0.513 7.113 ( 0.000 0.265 5.411) 5.417 7.197 ( 0.000 -1.379 1.142) 1.791 7.251 ( 0.000 -2.883 3.772) 4.747 7.302 ( 0.000 7.006 1.423) 7.149 7.382 ( 0.000 -4.580 6.438) 7.901 7.648 ( 0.000 3.400 -2.799) 4.404 7.725 ( 0.000 -5.243 -0.973) 5.332 7.876 ( 0.000 -3.085 -0.258) 3.095 7.904 ( 0.000 -3.656 -9.975) 10.624 7.994 ( 0.000 -4.900 -2.775) 5.631 8.223 ( 0.000 1.778 1.058) 2.069 8.316 ( 0.000 0.337 2.735) 2.756 8.631 ( 0.000 4.996 1.320) 5.167 8.711 ( 0.000 1.287 -2.799) 3.080 8.857 ( 0.000 1.467 1.266) 1.938 8.881 ( 0.000 -0.390 1.751) 1.794 8.958 ( 0.000 -1.195 1.492) 1.912 9.061 ( 0.000 -4.887 -1.630) 5.152 9.504 ( 0.000 4.152 0.351) 4.167 9.601 ( 0.000 2.025 3.769) 4.278 9.639 ( 0.000 -0.707 -1.767) 1.903 9.833 ( 0.000 -4.339 -2.395) 4.956 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -0.055 6.332 1.870) 6.603 2.138 ( -0.503 4.047 1.790) 4.454 2.254 ( 2.389 1.966 0.447) 3.126 2.276 ( 1.216 7.368 -2.166) 7.776 2.358 ( 6.544 8.368 0.087) 10.624 2.494 ( 4.837 3.196 -2.870) 6.469 2.652 ( 0.213 -1.441 -0.625) 1.585 2.668 ( 1.102 2.235 -1.065) 2.710 2.750 ( -2.602 6.410 0.410) 6.930 2.827 ( -1.246 3.986 -0.299) 4.187 2.880 ( -0.423 3.091 1.186) 3.338 2.992 ( -0.971 0.261 -0.454) 1.103 3.054 ( 1.646 -2.360 4.508) 5.348 3.094 ( -0.749 0.575 3.760) 3.877 3.309 ( -3.363 -6.641 -4.583) 8.742 3.379 ( 4.835 -1.878 1.569) 5.419 3.522 ( -4.456 -5.107 0.800) 6.825 3.585 ( 2.984 -2.443 -2.361) 4.522 3.890 ( -6.603 4.625 -0.895) 8.112 3.980 ( -6.525 4.142 -6.697) 10.227 4.178 ( 7.051 9.263 -0.923) 11.678 4.227 ( 2.046 10.703 -0.466) 10.907 4.376 ( -1.084 12.975 6.008) 14.340 4.477 ( -1.811 13.499 2.322) 13.817 5.638 ( 1.193 3.378 -0.701) 3.650 5.660 ( 0.179 3.593 -0.983) 3.730 5.701 ( 1.368 4.575 1.332) 4.957 5.771 ( 1.354 4.877 3.162) 5.968 5.810 ( 1.914 -1.206 -0.189) 2.270 5.823 ( 1.747 -0.582 0.207) 1.852 5.945 ( -4.919 4.031 -1.440) 6.521 6.059 ( -0.595 -0.267 -1.856) 1.967 6.542 ( -0.030 3.265 -0.216) 3.272 6.576 ( 0.112 2.337 0.909) 2.510 6.675 ( 0.547 0.793 -3.674) 3.798 6.718 ( -0.195 -1.170 -3.306) 3.512 7.027 ( -2.747 0.781 1.513) 3.232 7.074 ( -2.652 0.319 3.858) 4.693 7.112 ( -4.508 -1.522 3.047) 5.651 7.170 ( 1.308 -2.410 -1.452) 3.103 7.228 ( 0.899 2.129 1.239) 2.623 7.365 ( 3.412 0.873 2.851) 4.531 7.398 ( 2.272 -1.749 2.476) 3.789 7.617 ( -6.041 -2.750 -3.335) 7.428 7.730 ( 3.315 1.368 -3.734) 5.178 7.883 ( -0.709 -2.571 -7.324) 7.794 7.926 ( 4.263 -4.576 1.064) 6.344 8.083 ( 6.633 -5.521 -0.138) 8.631 8.228 ( 0.803 2.142 1.496) 2.733 8.307 ( -0.564 1.197 2.828) 3.122 8.552 ( -6.804 4.184 0.528) 8.005 8.638 ( -7.080 1.545 -1.110) 7.331 8.856 ( 2.647 2.193 0.103) 3.439 8.928 ( -0.058 0.276 2.233) 2.251 9.008 ( 5.856 -1.241 -0.813) 6.041 9.104 ( 3.300 -4.840 -1.083) 5.957 9.502 ( -0.131 3.737 0.661) 3.798 9.579 ( -2.050 1.865 3.202) 4.235 9.638 ( 0.078 -0.932 -1.350) 1.642 9.800 ( -3.252 -4.191 -2.263) 5.767 ======================= Grid point 92 (39/63) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -0.103 5.847 2.001) 6.181 2.129 ( -0.330 4.957 1.581) 5.214 2.295 ( 1.170 1.236 -1.996) 2.623 2.299 ( 0.766 4.503 -2.148) 5.047 2.496 ( 7.233 9.169 0.342) 11.683 2.570 ( 0.796 3.374 -3.212) 4.726 2.652 ( 0.684 5.601 -0.802) 5.699 2.700 ( -2.584 9.819 1.009) 10.203 2.731 ( 4.123 0.389 1.142) 4.296 2.794 ( -2.798 2.533 3.113) 4.893 2.867 ( 1.556 4.671 -4.501) 6.671 2.943 ( -3.917 -0.312 -0.887) 4.028 3.064 ( 0.630 -1.320 5.646) 5.832 3.099 ( -1.255 -3.489 3.250) 4.931 3.272 ( 2.307 -6.511 -0.927) 6.969 3.380 ( -7.131 -8.730 2.195) 11.484 3.563 ( 11.004 -0.724 -1.619) 11.146 3.670 ( 5.518 -1.255 -2.816) 6.321 3.758 ( -7.742 0.692 -3.960) 8.723 3.812 ( -9.970 -0.394 -3.027) 10.427 4.272 ( 2.820 14.629 1.330) 14.957 4.294 ( 2.851 13.559 0.687) 13.872 4.358 ( 0.791 12.453 3.191) 12.880 4.423 ( -3.763 12.613 1.617) 13.261 5.670 ( 1.169 5.343 -0.416) 5.485 5.673 ( 1.071 5.428 -0.579) 5.563 5.723 ( 1.669 4.651 0.777) 5.002 5.770 ( -1.776 5.526 1.723) 6.054 5.831 ( 0.738 0.797 -0.025) 1.087 5.858 ( -2.509 2.553 0.261) 3.589 5.911 ( 5.227 -2.431 -0.779) 5.817 6.009 ( -4.340 -2.339 -1.605) 5.185 6.556 ( 1.373 2.636 0.912) 3.109 6.576 ( -0.381 2.521 1.310) 2.867 6.689 ( 0.684 -0.944 -2.530) 2.786 6.706 ( -1.034 -0.673 -2.175) 2.500 6.983 ( -1.555 0.291 2.023) 2.569 6.993 ( -3.046 -0.003 2.640) 4.031 7.089 ( 1.305 -0.450 2.176) 2.577 7.139 ( -3.502 -2.251 1.848) 4.555 7.312 ( 6.690 -0.251 -5.042) 8.381 7.412 ( -0.433 -1.332 0.063) 1.402 7.446 ( 1.932 0.373 1.149) 2.278 7.488 ( -5.415 -2.195 -4.159) 7.172 7.796 ( 3.121 1.159 -4.580) 5.663 7.849 ( -2.423 -0.729 -6.103) 6.607 8.043 ( 6.739 -6.053 6.285) 11.025 8.143 ( -2.354 -7.354 5.100) 9.254 8.274 ( 5.015 3.745 1.495) 6.435 8.343 ( 4.598 3.108 -1.196) 5.677 8.411 ( -6.694 3.750 0.964) 7.733 8.490 ( -7.935 1.964 -1.175) 8.259 8.906 ( 1.973 2.484 0.248) 3.182 8.925 ( -0.282 1.812 0.841) 2.017 9.108 ( 4.035 -2.365 -1.333) 4.864 9.145 ( 0.342 -3.897 -1.398) 4.154 9.507 ( 0.848 2.690 1.558) 3.222 9.536 ( -2.129 1.901 2.530) 3.814 9.656 ( 2.209 -2.074 -1.390) 3.334 9.723 ( -4.390 -3.511 -1.861) 5.921 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 0.000 1.687 1.311) 2.136 2.212 ( 0.000 -1.570 1.060) 1.894 2.255 ( 0.000 5.264 1.618) 5.507 2.336 ( 0.000 -1.783 -1.662) 2.438 2.434 ( 0.000 5.291 -0.916) 5.370 2.486 ( 0.000 -0.308 -1.310) 1.346 2.636 ( 0.000 2.809 2.432) 3.715 2.685 ( 0.000 -0.793 1.431) 1.636 2.864 ( 0.000 2.490 -0.106) 2.492 2.883 ( 0.000 0.676 -0.805) 1.051 2.917 ( 0.000 1.613 2.937) 3.351 2.954 ( 0.000 -1.720 1.916) 2.575 3.022 ( 0.000 0.984 -0.271) 1.021 3.091 ( 0.000 -4.390 -2.086) 4.860 3.272 ( 0.000 1.687 -0.894) 1.910 3.326 ( 0.000 -2.807 -5.041) 5.769 3.489 ( 0.000 0.669 2.642) 2.726 3.527 ( 0.000 -2.773 3.821) 4.721 4.140 ( 0.000 4.137 -1.614) 4.441 4.145 ( 0.000 2.261 -5.594) 6.033 4.173 ( 0.000 3.986 -4.906) 6.321 4.234 ( 0.000 -1.002 -1.430) 1.746 4.623 ( 0.000 8.233 5.441) 9.868 4.673 ( 0.000 3.450 3.226) 4.723 5.671 ( 0.000 2.375 -2.366) 3.352 5.700 ( 0.000 0.781 -2.385) 2.509 5.712 ( 0.000 0.447 -1.110) 1.197 5.732 ( 0.000 -2.668 -2.118) 3.407 5.849 ( 0.000 2.479 3.723) 4.473 5.853 ( 0.000 2.206 5.214) 5.661 6.053 ( 0.000 0.344 -1.625) 1.661 6.054 ( 0.000 0.088 0.462) 0.470 6.617 ( 0.000 3.243 -1.945) 3.781 6.631 ( 0.000 3.276 -0.875) 3.391 6.677 ( 0.000 -2.118 -2.507) 3.282 6.688 ( 0.000 -1.149 -2.887) 3.108 7.074 ( 0.000 -0.095 0.528) 0.536 7.087 ( 0.000 -1.229 0.992) 1.579 7.115 ( 0.000 1.503 4.171) 4.433 7.157 ( 0.000 -2.298 2.905) 3.704 7.246 ( 0.000 1.933 3.067) 3.625 7.300 ( 0.000 -3.257 3.577) 4.838 7.452 ( 0.000 7.279 0.394) 7.290 7.592 ( 0.000 -6.477 -1.034) 6.559 7.744 ( 0.000 4.452 -0.784) 4.520 7.827 ( 0.000 -3.761 -3.169) 4.918 7.839 ( 0.000 -0.063 -5.218) 5.218 7.890 ( 0.000 -4.788 -6.708) 8.241 8.267 ( 0.000 2.347 3.375) 4.111 8.306 ( 0.000 -1.341 3.738) 3.971 8.707 ( 0.000 2.445 -0.709) 2.545 8.729 ( 0.000 0.161 -2.211) 2.217 8.876 ( 0.000 0.372 1.036) 1.101 8.876 ( 0.000 0.046 0.943) 0.944 8.947 ( 0.000 0.231 2.052) 2.065 8.978 ( 0.000 -3.004 0.302) 3.019 9.580 ( 0.000 2.938 -0.023) 2.938 9.620 ( 0.000 -1.290 -0.596) 1.421 9.659 ( 0.000 3.673 0.811) 3.762 9.743 ( 0.000 -4.492 -1.325) 4.683 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.20 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 1.089 2.408 0.970) 2.816 2.239 ( 2.114 -1.644 0.477) 2.720 2.248 ( -0.645 5.134 1.906) 5.514 2.332 ( -0.700 -2.193 -0.853) 2.455 2.496 ( 6.453 4.312 -0.722) 7.795 2.531 ( 4.969 0.402 -1.688) 5.264 2.656 ( 2.045 2.705 2.347) 4.124 2.698 ( 1.174 -0.394 1.114) 1.665 2.861 ( -0.222 3.333 0.551) 3.386 2.887 ( 0.196 1.608 0.445) 1.680 2.909 ( -0.721 1.165 2.056) 2.471 2.979 ( 2.224 -3.787 1.683) 4.704 3.012 ( -0.615 2.967 -0.673) 3.104 3.107 ( 0.558 -4.637 -2.327) 5.218 3.212 ( -5.716 1.990 -0.366) 6.063 3.299 ( -3.665 -4.956 -3.073) 6.888 3.498 ( 1.318 1.261 2.446) 3.052 3.537 ( 2.670 -2.298 1.348) 3.772 3.969 ( -9.674 2.888 -3.582) 10.713 4.003 ( -10.313 -0.552 -5.270) 11.594 4.327 ( 8.661 4.875 -1.149) 10.005 4.356 ( 7.212 2.192 -1.986) 7.796 4.607 ( -1.683 7.892 4.744) 9.360 4.653 ( -2.112 3.472 2.830) 4.953 5.700 ( 3.003 2.854 -2.101) 4.645 5.712 ( 1.578 1.750 -1.921) 3.040 5.744 ( 2.900 -0.148 -1.156) 3.125 5.765 ( 3.151 -2.437 -1.817) 4.378 5.846 ( -0.365 2.506 3.043) 3.959 5.858 ( 0.277 1.911 4.336) 4.747 6.001 ( -4.337 1.714 -0.496) 4.690 6.033 ( -3.007 -1.774 -0.242) 3.499 6.606 ( -0.712 2.945 -0.982) 3.185 6.636 ( -0.109 3.381 -0.397) 3.406 6.657 ( -0.735 -1.982 -2.268) 3.100 6.696 ( -0.049 -1.976 -2.177) 2.940 7.051 ( -2.142 1.375 0.974) 2.725 7.071 ( -2.095 -0.398 2.324) 3.154 7.099 ( -1.616 -0.050 2.594) 3.057 7.119 ( -2.911 -2.186 1.869) 4.092 7.269 ( 2.300 2.331 0.349) 3.293 7.322 ( 2.610 -2.791 0.728) 3.890 7.451 ( 0.116 4.105 0.495) 4.137 7.536 ( -4.634 -4.335 -2.556) 6.841 7.793 ( 3.028 3.109 -2.734) 5.129 7.836 ( 2.777 -2.207 -0.672) 3.610 7.866 ( 1.667 0.570 -4.214) 4.568 7.956 ( 4.850 -6.394 -0.995) 8.087 8.277 ( 1.390 2.347 3.317) 4.295 8.311 ( 1.007 -0.843 3.401) 3.645 8.619 ( -6.974 2.449 -1.023) 7.462 8.649 ( -6.886 -0.475 -1.427) 7.048 8.910 ( 3.770 3.000 0.377) 4.833 8.944 ( 2.343 0.778 1.180) 2.737 8.977 ( 3.986 -1.253 0.447) 4.202 9.012 ( 2.837 -3.928 0.391) 4.861 9.572 ( -0.635 2.851 0.074) 2.921 9.612 ( -0.739 -0.963 -0.603) 1.356 9.637 ( -2.015 3.002 0.753) 3.693 9.715 ( -2.766 -4.236 -1.247) 5.211 ======================= Grid point 97 (42/63) ======================= q-point: ( 0.40 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 0.753 3.673 1.074) 3.900 2.230 ( -1.006 4.573 1.708) 4.984 2.277 ( 1.767 -2.409 -0.266) 2.999 2.309 ( -1.543 -2.689 -0.335) 3.118 2.630 ( 5.181 4.175 -0.668) 6.687 2.649 ( 4.777 3.612 -0.662) 6.025 2.704 ( 2.683 -0.080 0.753) 2.788 2.728 ( 1.931 -0.993 1.211) 2.486 2.857 ( 0.293 4.372 2.010) 4.821 2.882 ( -1.427 7.201 0.880) 7.394 2.914 ( 2.754 -0.607 0.530) 2.869 2.996 ( -2.401 3.578 -1.678) 4.624 3.015 ( 0.826 -3.632 0.914) 3.835 3.064 ( -4.691 2.510 1.445) 5.513 3.125 ( -0.360 -6.951 -1.008) 7.033 3.191 ( -6.112 -8.396 0.429) 10.394 3.590 ( 8.336 2.179 -1.107) 8.687 3.635 ( 7.241 -2.125 -1.669) 7.729 3.779 ( -10.434 1.264 -3.921) 11.218 3.801 ( -10.175 -0.826 -3.343) 10.742 4.469 ( 5.815 5.385 0.346) 7.933 4.483 ( 6.245 4.249 -0.005) 7.554 4.559 ( -3.325 6.589 2.865) 7.917 4.592 ( -4.404 3.551 1.742) 5.919 5.756 ( 2.675 3.553 -0.890) 4.536 5.773 ( 3.401 3.958 -1.349) 5.390 5.801 ( 2.408 1.970 -0.043) 3.111 5.826 ( 1.615 -0.907 -1.046) 2.128 5.850 ( 0.693 -0.050 1.415) 1.576 5.855 ( 1.519 0.033 1.212) 1.944 5.904 ( -5.073 1.478 -0.295) 5.292 5.952 ( -5.141 -2.933 0.047) 5.919 6.606 ( 0.918 2.349 0.270) 2.536 6.627 ( -0.754 2.355 0.249) 2.485 6.654 ( 0.378 -1.969 -0.565) 2.083 6.678 ( -1.682 -2.102 -0.831) 2.818 7.011 ( -1.024 2.607 0.919) 2.948 7.025 ( -2.082 2.412 1.122) 3.378 7.070 ( -0.754 -1.639 1.600) 2.412 7.077 ( -1.487 -3.483 0.906) 3.894 7.335 ( 4.485 2.319 -3.829) 6.337 7.385 ( 2.870 -1.779 -1.503) 3.696 7.435 ( -3.226 -0.741 -3.812) 5.048 7.449 ( -2.893 -1.390 -2.142) 3.859 7.839 ( 2.596 2.926 -1.104) 4.065 7.879 ( -0.740 4.131 0.351) 4.211 7.923 ( 4.946 -5.365 3.406) 8.053 7.995 ( -1.489 -6.906 3.290) 7.794 8.341 ( 5.616 2.637 1.482) 6.379 8.372 ( 5.605 -0.236 0.655) 5.648 8.475 ( -7.733 2.544 -0.445) 8.153 8.506 ( -7.721 -0.433 -1.094) 7.810 8.970 ( 1.981 3.788 0.347) 4.289 8.977 ( 1.103 3.143 0.515) 3.371 9.047 ( 2.451 -3.434 -0.307) 4.230 9.058 ( 1.308 -4.476 -0.182) 4.666 9.565 ( 0.208 2.770 0.301) 2.794 9.587 ( -1.906 2.885 0.321) 3.472 9.615 ( 0.612 -1.998 -0.443) 2.136 9.654 ( -3.134 -3.380 -0.969) 4.709 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.000 0.000 25.899) 25.899 1.085 ( 0.000 0.000 27.199) 27.199 1.546 ( 0.000 0.000 19.662) 19.662 1.554 ( 0.000 0.000 -21.977) 21.977 1.624 ( 0.000 0.000 -9.660) 9.660 1.864 ( 0.000 0.000 10.757) 10.757 2.043 ( 0.000 0.000 -6.305) 6.305 2.068 ( 0.000 0.000 -9.072) 9.072 2.170 ( 0.000 0.000 6.804) 6.804 2.299 ( 0.000 0.000 -5.781) 5.781 2.393 ( 0.000 0.000 -3.894) 3.894 2.424 ( 0.000 0.000 0.751) 0.751 2.438 ( 0.000 0.000 -0.322) 0.322 2.474 ( 0.000 0.000 -18.940) 18.940 2.750 ( 0.000 0.000 2.865) 2.865 2.798 ( 0.000 0.000 -2.024) 2.024 3.108 ( 0.000 0.000 9.272) 9.272 3.274 ( 0.000 0.000 -8.106) 8.106 3.616 ( 0.000 0.000 1.420) 1.420 3.665 ( 0.000 0.000 -3.891) 3.891 4.030 ( 0.000 0.000 5.090) 5.090 4.117 ( 0.000 0.000 -3.348) 3.348 4.316 ( 0.000 0.000 15.223) 15.223 4.569 ( 0.000 0.000 -10.344) 10.344 5.043 ( 0.000 0.000 5.605) 5.605 5.127 ( 0.000 0.000 4.649) 4.649 5.151 ( 0.000 0.000 -5.110) 5.110 5.227 ( 0.000 0.000 -5.302) 5.302 5.477 ( 0.000 0.000 2.086) 2.086 5.509 ( 0.000 0.000 -1.207) 1.207 6.208 ( 0.000 0.000 6.555) 6.555 6.365 ( 0.000 0.000 -8.183) 8.183 6.629 ( 0.000 0.000 6.425) 6.425 6.678 ( 0.000 0.000 1.804) 1.804 6.855 ( 0.000 0.000 4.273) 4.273 6.955 ( 0.000 0.000 -3.513) 3.513 7.009 ( 0.000 0.000 -0.080) 0.080 7.086 ( 0.000 0.000 -8.531) 8.531 7.111 ( 0.000 0.000 0.981) 0.981 7.127 ( 0.000 0.000 -0.662) 0.662 7.344 ( 0.000 0.000 2.382) 2.382 7.393 ( 0.000 0.000 -2.481) 2.481 7.489 ( 0.000 0.000 -1.462) 1.462 7.504 ( 0.000 0.000 -2.146) 2.146 7.599 ( 0.000 0.000 0.730) 0.730 7.611 ( 0.000 0.000 -0.525) 0.525 7.923 ( 0.000 0.000 0.569) 0.569 7.938 ( 0.000 0.000 -0.975) 0.975 8.022 ( 0.000 0.000 6.734) 6.734 8.138 ( 0.000 0.000 -4.361) 4.361 8.228 ( 0.000 0.000 3.681) 3.681 8.274 ( 0.000 0.000 -2.216) 2.216 8.583 ( 0.000 0.000 1.430) 1.430 8.602 ( 0.000 0.000 0.065) 0.065 9.356 ( 0.000 0.000 0.993) 0.993 9.363 ( 0.000 0.000 0.147) 0.147 9.650 ( 0.000 0.000 4.518) 4.518 9.758 ( 0.000 0.000 -5.879) 5.879 9.957 ( 0.000 0.000 6.018) 6.018 10.066 ( 0.000 0.000 -4.938) 4.938 ======================= Grid point 131 (44/63) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 2.531 0.000 23.837) 23.971 1.184 ( 9.907 0.000 22.971) 25.016 1.525 ( -3.808 0.000 -18.544) 18.930 1.612 ( 5.887 0.000 -20.375) 21.208 1.688 ( 0.978 0.000 8.851) 8.905 1.805 ( -12.052 0.000 -1.656) 12.165 1.989 ( 16.488 0.000 20.912) 26.630 2.007 ( -13.289 0.000 8.253) 15.644 2.170 ( -9.918 0.000 -7.791) 12.613 2.386 ( 14.459 0.000 -6.145) 15.711 2.440 ( 9.788 0.000 -1.450) 9.895 2.523 ( 6.499 0.000 0.954) 6.569 2.534 ( 6.709 0.000 -0.104) 6.710 2.542 ( 5.589 0.000 -17.926) 18.777 2.738 ( -1.266 0.000 2.918) 3.181 2.786 ( -1.327 0.000 -1.991) 2.393 3.011 ( -6.213 0.000 5.066) 8.017 3.168 ( -8.969 0.000 -10.080) 13.493 3.554 ( -10.581 0.000 9.372) 14.135 3.715 ( -1.257 0.000 -7.197) 7.306 3.989 ( 0.486 0.000 6.537) 6.555 4.109 ( 2.772 0.000 -5.104) 5.808 4.330 ( -0.236 0.000 12.413) 12.416 4.543 ( -3.151 0.000 -8.858) 9.402 5.051 ( 0.853 0.000 5.496) 5.561 5.119 ( -0.839 0.000 4.373) 4.453 5.161 ( 0.888 0.000 -4.741) 4.824 5.221 ( -0.626 0.000 -5.250) 5.287 5.515 ( 3.692 0.000 2.518) 4.469 5.558 ( 4.931 0.000 -1.760) 5.235 6.093 ( -10.295 0.000 9.396) 13.938 6.263 ( -11.237 0.000 -6.014) 12.745 6.560 ( -3.640 0.000 6.402) 7.364 6.638 ( -1.641 0.000 0.765) 1.811 6.720 ( -5.239 0.000 -0.430) 5.256 6.781 ( -7.997 0.000 -6.681) 10.420 7.119 ( 0.788 0.000 0.895) 1.192 7.134 ( 0.605 0.000 -0.617) 0.864 7.262 ( 13.855 0.000 1.674) 13.956 7.301 ( 12.156 0.000 -1.155) 12.211 7.337 ( -0.577 0.000 2.042) 2.122 7.378 ( -1.397 0.000 -2.054) 2.485 7.558 ( 4.636 0.000 -1.839) 4.988 7.564 ( 5.745 0.000 -2.642) 6.323 7.600 ( 0.119 0.000 0.614) 0.625 7.610 ( -0.111 0.000 -0.438) 0.452 7.927 ( 0.414 0.000 0.389) 0.568 7.940 ( 0.088 0.000 -0.834) 0.838 8.019 ( -0.613 0.000 4.194) 4.239 8.084 ( -4.814 0.000 -1.115) 4.942 8.174 ( -3.985 0.000 1.402) 4.224 8.230 ( -4.039 0.000 -4.052) 5.721 8.628 ( 4.659 0.000 2.369) 5.227 8.676 ( 5.017 0.000 -2.438) 5.578 9.312 ( -2.636 0.000 1.569) 3.068 9.349 ( -2.347 0.000 -2.167) 3.195 9.673 ( 2.456 0.000 6.282) 6.746 9.784 ( 1.635 0.000 -4.550) 4.835 9.978 ( 1.908 0.000 4.212) 4.624 10.066 ( -0.076 0.000 -4.293) 4.294 ======================= Grid point 132 (45/63) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 12.525 0.000 13.638) 18.517 1.428 ( 14.987 0.000 17.264) 22.862 1.464 ( -7.743 0.000 0.820) 7.787 1.570 ( -3.905 0.000 -11.804) 12.433 1.638 ( -6.395 0.000 -7.187) 9.620 1.726 ( -15.612 0.000 12.073) 19.735 1.765 ( 9.609 0.000 -16.514) 19.106 1.967 ( -11.040 0.000 -11.933) 16.257 2.338 ( 14.542 0.000 15.021) 20.907 2.523 ( -3.050 0.000 1.597) 3.443 2.622 ( 4.100 0.000 1.950) 4.541 2.642 ( 12.370 0.000 8.184) 14.833 2.647 ( 3.842 0.000 -0.467) 3.870 2.707 ( -1.151 0.000 2.243) 2.521 2.715 ( 9.662 0.000 -4.927) 10.846 2.746 ( -2.908 0.000 -1.573) 3.306 3.004 ( -5.353 0.000 -6.434) 8.370 3.087 ( 14.747 0.000 -13.248) 19.823 3.225 ( -18.942 0.000 13.735) 23.398 3.485 ( -19.442 0.000 -11.950) 22.821 4.112 ( 9.284 0.000 8.172) 12.368 4.247 ( 5.057 0.000 0.931) 5.142 4.279 ( -0.923 0.000 2.818) 2.965 4.439 ( -7.856 0.000 -7.172) 10.637 5.073 ( 1.322 0.000 5.182) 5.348 5.098 ( -1.277 0.000 4.728) 4.898 5.182 ( 1.223 0.000 -4.877) 5.028 5.204 ( -1.097 0.000 -5.098) 5.215 5.607 ( 5.491 0.000 3.792) 6.674 5.657 ( 2.886 0.000 -0.828) 3.002 5.928 ( -3.533 0.000 7.025) 7.863 6.027 ( -11.213 0.000 -1.608) 11.328 6.557 ( 2.289 0.000 0.480) 2.339 6.618 ( -2.413 0.000 -5.240) 5.769 6.641 ( -1.308 0.000 1.716) 2.158 6.673 ( -3.534 0.000 -3.458) 4.944 7.136 ( 0.831 0.000 0.513) 0.977 7.143 ( 0.149 0.000 -0.213) 0.260 7.331 ( 0.175 0.000 0.867) 0.885 7.348 ( -1.506 0.000 -0.833) 1.721 7.479 ( 7.553 0.000 3.287) 8.237 7.501 ( 9.989 0.000 2.780) 10.369 7.582 ( -1.606 0.000 1.573) 2.248 7.603 ( 0.217 0.000 0.273) 0.349 7.607 ( -0.210 0.000 -0.146) 0.256 7.643 ( -1.212 0.000 -3.360) 3.572 7.935 ( 0.390 0.000 -0.025) 0.391 7.940 ( -0.090 0.000 -0.477) 0.485 7.977 ( 0.084 0.000 6.031) 6.031 8.044 ( -3.183 0.000 1.750) 3.632 8.104 ( -0.352 0.000 -5.671) 5.682 8.154 ( -3.687 0.000 -6.894) 7.819 8.716 ( 3.626 0.000 0.419) 3.651 8.741 ( 1.242 0.000 -2.079) 2.422 9.280 ( -0.418 0.000 0.029) 0.419 9.299 ( -2.224 0.000 -1.968) 2.970 9.732 ( 3.385 0.000 5.338) 6.320 9.785 ( -1.718 0.000 0.457) 1.778 10.020 ( 2.326 0.000 0.420) 2.364 10.056 ( -1.204 0.000 -2.632) 2.894 ======================= Grid point 135 (46/63) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.000 3.329 23.649) 23.882 1.188 ( 0.000 9.730 23.315) 25.264 1.513 ( 0.000 -1.338 -20.553) 20.596 1.645 ( 0.000 5.484 -21.285) 21.980 1.887 ( 0.000 1.958 10.093) 10.281 1.898 ( 0.000 24.723 25.244) 35.334 2.086 ( 0.000 2.609 -7.662) 8.094 2.205 ( 0.000 11.036 2.269) 11.267 2.232 ( 0.000 6.940 4.826) 8.453 2.363 ( 0.000 4.665 -6.518) 8.015 2.430 ( 0.000 4.938 -2.748) 5.652 2.518 ( 0.000 8.503 0.860) 8.546 2.525 ( 0.000 9.131 -4.492) 10.176 2.581 ( 0.000 10.221 -17.188) 19.997 2.791 ( 0.000 3.901 2.159) 4.459 2.830 ( 0.000 2.832 -1.720) 3.313 3.104 ( 0.000 -0.068 8.949) 8.949 3.272 ( 0.000 0.015 -8.546) 8.546 3.644 ( 0.000 2.652 0.431) 2.687 3.664 ( 0.000 -0.067 -1.989) 1.990 4.017 ( 0.000 -0.866 4.070) 4.162 4.085 ( 0.000 -2.967 -2.506) 3.883 4.280 ( 0.000 -3.468 14.108) 14.528 4.514 ( 0.000 -5.410 -9.511) 10.942 5.100 ( 0.000 5.395 5.538) 7.731 5.199 ( 0.000 6.593 5.874) 8.830 5.220 ( 0.000 5.386 -6.439) 8.394 5.318 ( 0.000 8.684 -6.172) 10.654 5.506 ( 0.000 2.996 1.322) 3.275 5.526 ( 0.000 1.734 -0.593) 1.833 6.181 ( 0.000 -3.437 7.626) 8.365 6.358 ( 0.000 -2.032 -9.630) 9.842 6.533 ( 0.000 -10.875 4.295) 11.693 6.575 ( 0.000 -6.599 1.403) 6.747 6.702 ( 0.000 -10.738 7.632) 13.174 6.818 ( 0.000 -2.199 -2.976) 3.701 6.967 ( 0.000 -1.810 1.273) 2.212 7.066 ( 0.000 -1.677 -7.790) 7.969 7.150 ( 0.000 0.615 1.258) 1.400 7.172 ( 0.000 -0.396 -0.898) 0.981 7.302 ( 0.000 1.608 2.835) 3.259 7.351 ( 0.000 0.098 -2.128) 2.130 7.583 ( 0.000 -0.735 2.007) 2.137 7.607 ( 0.000 0.678 0.214) 0.711 7.674 ( 0.000 10.350 -0.213) 10.352 7.702 ( 0.000 10.203 -2.515) 10.508 7.936 ( 0.000 -0.245 0.303) 0.390 7.941 ( 0.000 1.698 -0.312) 1.726 8.159 ( 0.000 3.705 5.103) 6.307 8.224 ( 0.000 6.894 -2.646) 7.384 8.263 ( 0.000 7.328 -2.179) 7.645 8.287 ( 0.000 1.648 -2.887) 3.325 8.618 ( 0.000 4.062 0.411) 4.082 8.626 ( 0.000 2.678 0.085) 2.679 9.311 ( 0.000 -4.284 0.724) 4.344 9.317 ( 0.000 -4.136 -0.136) 4.138 9.615 ( 0.000 -3.145 4.709) 5.663 9.724 ( 0.000 -3.052 -5.801) 6.555 9.930 ( 0.000 -2.586 6.285) 6.797 10.043 ( 0.000 -2.171 -5.113) 5.555 ======================= Grid point 136 (47/63) ======================= q-point: ( 0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 5.975 6.066 19.462) 21.243 1.293 ( 9.528 9.375 20.260) 24.272 1.494 ( -0.787 0.070 -17.455) 17.473 1.685 ( 2.751 5.730 -17.879) 18.975 1.800 ( -5.086 7.675 6.621) 11.341 1.920 ( -8.130 8.146 -5.194) 12.627 2.080 ( -8.801 8.450 9.939) 15.737 2.141 ( 11.197 14.369 16.952) 24.884 2.269 ( -6.200 9.210 -4.220) 11.878 2.412 ( 7.006 1.585 0.197) 7.186 2.429 ( 8.852 0.962 -1.679) 9.061 2.557 ( 5.174 8.134 -8.409) 12.792 2.641 ( 7.388 8.396 0.836) 11.216 2.685 ( 5.908 9.756 -8.109) 13.994 2.780 ( 0.611 4.634 -0.565) 4.708 2.813 ( -1.807 2.327 -2.285) 3.728 3.037 ( -3.966 2.720 4.898) 6.864 3.185 ( -7.357 1.924 -9.426) 12.111 3.583 ( -10.129 2.945 7.748) 13.088 3.716 ( -0.511 0.011 -5.793) 5.815 3.965 ( -0.769 -2.076 6.105) 6.494 4.075 ( 2.557 -3.092 -4.477) 6.012 4.290 ( -0.564 -3.866 11.317) 11.972 4.487 ( -3.166 -5.475 -8.259) 10.402 5.110 ( 0.978 5.492 5.384) 7.753 5.186 ( -1.108 6.215 4.713) 7.878 5.227 ( 0.685 5.504 -5.078) 7.520 5.300 ( -1.559 7.352 -5.278) 9.184 5.541 ( 3.240 2.627 1.926) 4.595 5.578 ( 5.124 2.231 -1.724) 5.848 6.063 ( -9.737 -3.006 9.241) 13.757 6.226 ( -11.655 -4.087 -5.497) 13.519 6.514 ( -0.139 -3.607 3.793) 5.236 6.585 ( 0.569 -4.491 -2.099) 4.990 6.649 ( -2.543 -4.771 3.520) 6.451 6.749 ( -5.433 -1.740 -6.221) 8.441 7.117 ( 9.787 -4.138 3.965) 11.342 7.153 ( 1.506 1.800 1.095) 2.590 7.188 ( 4.387 -0.897 -0.847) 4.557 7.236 ( 9.039 -4.283 -4.521) 10.977 7.328 ( 2.968 -0.161 2.993) 4.219 7.368 ( 1.446 -0.188 -1.561) 2.137 7.575 ( -0.611 -1.243 2.842) 3.161 7.614 ( 0.456 0.958 -0.701) 1.271 7.671 ( 0.157 7.596 -0.793) 7.639 7.700 ( -0.191 8.698 -2.645) 9.093 7.903 ( -3.598 -2.439 1.785) 4.699 7.930 ( -1.355 0.406 -1.080) 1.780 8.125 ( -2.962 4.587 5.878) 8.023 8.195 ( -4.324 6.169 -0.845) 7.581 8.212 ( -2.758 6.505 -2.538) 7.508 8.238 ( -2.731 2.270 -5.237) 6.327 8.681 ( 5.903 5.076 1.124) 7.866 8.714 ( 6.207 3.766 -2.002) 7.531 9.262 ( -3.012 -4.615 1.504) 5.713 9.302 ( -2.578 -4.335 -2.503) 5.630 9.644 ( 2.931 -2.676 6.383) 7.516 9.758 ( 2.286 -2.474 -4.791) 5.857 9.940 ( 1.071 -3.529 4.959) 6.180 10.038 ( -0.627 -2.683 -4.607) 5.368 ======================= Grid point 137 (48/63) ======================= q-point: ( 0.40 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 12.139 6.746 11.190) 17.835 1.472 ( -0.695 3.891 2.734) 4.806 1.521 ( 9.107 5.803 6.623) 12.668 1.629 ( -5.860 5.849 -7.592) 11.233 1.709 ( -3.150 7.888 -0.803) 8.531 1.829 ( -13.627 9.171 10.287) 19.381 1.898 ( 6.105 10.624 -14.906) 19.296 2.061 ( -9.820 8.424 -12.018) 17.659 2.423 ( 8.535 6.083 10.873) 15.102 2.561 ( -3.935 1.239 7.137) 8.243 2.609 ( 6.850 2.134 -2.645) 7.647 2.620 ( 10.356 3.929 0.331) 11.081 2.740 ( 6.868 6.884 4.182) 10.585 2.771 ( -1.076 3.035 -1.447) 3.530 2.796 ( 2.644 8.199 0.627) 8.637 2.821 ( 1.959 7.547 -0.101) 7.797 3.052 ( -3.165 4.657 -4.667) 7.313 3.144 ( 16.084 5.134 -12.366) 20.928 3.263 ( -20.193 4.494 13.113) 24.492 3.504 ( -18.199 2.017 -10.815) 21.266 4.074 ( 8.872 -3.688 7.938) 12.463 4.203 ( 4.574 -4.213 1.108) 6.316 4.236 ( -1.017 -4.072 2.185) 4.732 4.385 ( -7.481 -5.153 -6.820) 11.359 5.134 ( 1.436 5.645 5.000) 7.677 5.162 ( -1.450 5.831 4.666) 7.607 5.244 ( 1.112 5.539 -4.722) 7.363 5.269 ( -1.501 6.003 -4.756) 7.804 5.624 ( 5.024 1.754 3.598) 6.423 5.673 ( 2.383 1.709 -0.823) 3.046 5.915 ( -2.802 -1.093 5.895) 6.618 6.008 ( -9.990 -1.806 -2.144) 10.376 6.532 ( 1.847 -2.139 0.250) 2.837 6.574 ( -2.031 -3.617 -3.360) 5.338 6.628 ( 0.687 -0.802 0.844) 1.352 6.665 ( -3.189 -0.522 -3.485) 4.753 7.178 ( 1.292 2.832 1.886) 3.639 7.189 ( 0.544 3.429 1.218) 3.679 7.291 ( 3.460 -3.078 0.022) 4.631 7.331 ( -0.370 -1.344 -3.196) 3.487 7.426 ( 5.216 -4.380 4.023) 7.910 7.436 ( 5.387 -4.156 3.174) 7.508 7.567 ( 0.593 -0.406 2.007) 2.132 7.614 ( -1.360 0.099 -2.095) 2.500 7.682 ( 0.825 4.655 -0.791) 4.793 7.706 ( 0.063 6.643 -1.599) 6.833 7.826 ( -1.698 -6.411 1.210) 6.742 7.879 ( -4.160 -3.833 -3.286) 6.542 8.083 ( -0.746 5.810 5.009) 7.707 8.107 ( -3.392 4.163 3.139) 6.220 8.186 ( -0.074 6.621 -4.884) 8.228 8.202 ( -1.502 5.001 -5.739) 7.759 8.783 ( 3.845 5.846 0.117) 6.998 8.802 ( 2.150 5.444 -1.690) 6.092 9.224 ( -0.601 -5.326 -0.050) 5.360 9.245 ( -2.616 -5.009 -2.317) 6.108 9.711 ( 3.716 -1.949 5.622) 7.015 9.767 ( -1.622 -1.675 0.695) 2.433 9.974 ( 2.382 -4.390 0.423) 5.012 10.016 ( -1.752 -3.745 -3.077) 5.154 ======================= Grid point 140 (49/63) ======================= q-point: ( 0.00 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 0.000 16.010 12.324) 20.204 1.443 ( 0.000 14.689 14.688) 20.773 1.566 ( 0.000 6.885 -13.235) 14.919 1.794 ( 0.000 9.048 -17.681) 19.862 1.949 ( 0.000 4.246 9.388) 10.303 2.119 ( 0.000 3.441 -7.367) 8.131 2.327 ( 0.000 5.371 5.483) 7.676 2.417 ( 0.000 8.856 1.685) 9.014 2.453 ( 0.000 9.931 5.198) 11.209 2.519 ( 0.000 22.434 5.512) 23.101 2.602 ( 0.000 12.130 2.021) 12.297 2.726 ( 0.000 11.406 1.057) 11.455 2.754 ( 0.000 9.144 -1.221) 9.226 2.874 ( 0.000 13.601 -7.684) 15.621 2.880 ( 0.000 1.381 1.700) 2.190 2.920 ( 0.000 14.921 -9.101) 17.478 3.138 ( 0.000 4.437 6.611) 7.962 3.294 ( 0.000 2.705 -9.211) 9.600 3.662 ( 0.000 -0.090 2.619) 2.620 3.713 ( 0.000 3.806 -2.247) 4.420 4.011 ( 0.000 0.576 0.756) 0.951 4.016 ( 0.000 -3.180 0.453) 3.212 4.183 ( 0.000 -5.718 10.660) 12.097 4.361 ( 0.000 -9.406 -7.218) 11.856 5.243 ( 0.000 8.357 4.932) 9.704 5.346 ( 0.000 6.950 -5.255) 8.713 5.362 ( 0.000 8.870 7.583) 11.670 5.506 ( 0.000 7.441 -5.900) 9.496 5.593 ( 0.000 6.093 -0.918) 6.161 5.596 ( 0.000 5.743 -0.448) 5.761 6.060 ( 0.000 -7.327 6.563) 9.836 6.182 ( 0.000 -12.416 -4.477) 13.198 6.448 ( 0.000 0.741 -0.888) 1.157 6.466 ( 0.000 -1.659 -1.090) 1.985 6.595 ( 0.000 -3.173 9.076) 9.615 6.767 ( 0.000 -3.083 -7.462) 8.074 6.955 ( 0.000 0.942 2.438) 2.614 7.041 ( 0.000 -0.311 -5.848) 5.856 7.138 ( 0.000 -1.742 0.591) 1.840 7.139 ( 0.000 -0.606 0.183) 0.633 7.380 ( 0.000 1.015 2.984) 3.151 7.385 ( 0.000 4.884 2.255) 5.380 7.546 ( 0.000 -2.379 3.144) 3.942 7.619 ( 0.000 0.906 -3.161) 3.288 7.848 ( 0.000 6.460 0.710) 6.499 7.889 ( 0.000 7.768 -2.817) 8.263 7.922 ( 0.000 -0.977 0.704) 1.204 7.966 ( 0.000 0.126 -3.143) 3.146 8.146 ( 0.000 -1.857 8.260) 8.466 8.280 ( 0.000 0.044 -4.521) 4.521 8.403 ( 0.000 7.342 -1.499) 7.493 8.405 ( 0.000 4.663 -1.036) 4.776 8.722 ( 0.000 6.607 0.814) 6.657 8.742 ( 0.000 6.596 -1.007) 6.673 9.198 ( 0.000 -6.393 0.518) 6.414 9.222 ( 0.000 -4.701 -2.307) 5.237 9.541 ( 0.000 -3.722 5.144) 6.349 9.652 ( 0.000 -3.670 -5.801) 6.865 9.860 ( 0.000 -4.060 6.944) 8.044 9.984 ( 0.000 -3.507 -5.523) 6.542 ======================= Grid point 141 (50/63) ======================= q-point: ( 0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 6.250 15.334 10.299) 19.501 1.528 ( 7.674 12.850 10.115) 18.064 1.575 ( 1.499 8.426 -7.558) 11.418 1.831 ( 1.751 8.722 -14.628) 17.121 1.938 ( -1.478 6.492 7.127) 9.753 2.074 ( -2.069 6.945 -6.515) 9.744 2.266 ( -10.046 9.061 6.607) 15.056 2.372 ( -3.609 5.245 -3.583) 7.306 2.465 ( 3.980 4.191 0.798) 5.834 2.514 ( -3.539 8.145 -4.540) 9.974 2.637 ( 10.525 24.694 14.432) 30.477 2.752 ( 0.170 7.078 3.638) 7.960 2.837 ( 3.110 7.109 -0.056) 7.760 2.861 ( 0.072 6.457 0.622) 6.488 2.890 ( 3.050 10.777 -2.804) 11.546 2.985 ( 6.329 16.369 -11.702) 21.094 3.128 ( -0.091 6.439 4.746) 8.000 3.264 ( -2.559 6.255 -8.383) 10.768 3.676 ( -7.023 6.174 2.912) 9.794 3.713 ( 2.052 -0.286 -0.684) 2.182 3.922 ( -5.013 -1.645 4.247) 6.773 3.998 ( 0.761 -4.154 -2.419) 4.867 4.185 ( -1.258 -6.141 7.713) 9.939 4.332 ( -3.099 -9.437 -6.481) 11.860 5.252 ( 0.951 8.191 4.646) 9.465 5.334 ( -1.350 7.488 1.102) 7.688 5.363 ( 0.371 7.847 0.649) 7.883 5.461 ( -3.091 7.321 -4.130) 8.956 5.615 ( 2.492 4.456 1.552) 5.336 5.662 ( 4.716 6.243 -3.232) 8.465 5.984 ( -6.262 -4.315 6.565) 10.046 6.099 ( -7.059 -7.747 -4.003) 11.220 6.467 ( 1.657 -0.643 0.499) 1.846 6.504 ( 1.794 -2.276 -2.725) 3.978 6.590 ( 0.424 -1.722 5.886) 6.147 6.718 ( -3.642 -1.555 -6.537) 7.643 7.051 ( 8.501 -1.536 4.138) 9.578 7.148 ( 5.205 -2.387 -2.127) 6.108 7.164 ( 6.056 -1.734 -2.020) 6.615 7.176 ( 3.834 -0.794 -0.134) 3.918 7.355 ( -1.319 1.063 3.895) 4.248 7.395 ( -0.617 2.287 0.135) 2.373 7.545 ( 0.528 -1.128 4.002) 4.192 7.628 ( 0.144 0.540 -3.399) 3.444 7.797 ( -4.853 2.318 1.201) 5.511 7.839 ( -5.314 1.055 -1.203) 5.549 7.890 ( -1.557 5.538 -0.668) 5.791 7.942 ( -2.513 1.814 -4.171) 5.196 8.161 ( 0.822 1.000 5.184) 5.343 8.240 ( -3.607 0.999 -2.564) 4.536 8.352 ( -2.550 7.060 1.234) 7.607 8.386 ( -2.440 7.042 -2.373) 7.822 8.803 ( 5.333 5.320 -0.270) 7.537 8.806 ( 6.904 4.955 -0.696) 8.526 9.148 ( -3.769 -6.177 1.317) 7.355 9.201 ( -2.876 -4.641 -4.074) 6.813 9.578 ( 3.671 -3.465 6.305) 8.077 9.694 ( 3.415 -3.608 -5.186) 7.182 9.851 ( -0.787 -4.918 6.324) 8.050 9.967 ( -1.786 -4.079 -5.233) 6.871 ======================= Grid point 142 (51/63) ======================= q-point: ( 0.40 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 8.921 12.315 6.373) 16.488 1.594 ( -0.657 8.399 -1.964) 8.651 1.690 ( 6.998 10.419 4.490) 13.330 1.787 ( -5.142 9.342 -6.457) 12.466 1.917 ( 1.678 11.614 6.676) 13.501 2.050 ( -10.836 12.004 8.749) 18.387 2.116 ( 5.546 10.037 -11.908) 16.532 2.248 ( -7.741 8.742 -10.182) 15.493 2.505 ( 2.559 3.154 3.392) 5.292 2.546 ( 0.897 -0.503 1.674) 1.965 2.707 ( 0.260 5.204 -1.225) 5.352 2.775 ( -4.308 4.222 -5.798) 8.367 2.921 ( 12.122 15.406 8.604) 21.409 2.945 ( 4.808 11.213 1.504) 12.293 2.994 ( 5.451 11.806 0.730) 13.024 3.035 ( -1.093 14.407 1.380) 14.514 3.178 ( 2.573 7.325 -0.030) 7.764 3.281 ( 7.159 9.145 -6.027) 13.085 3.431 ( -13.715 11.929 5.769) 19.070 3.575 ( -13.895 5.309 -6.738) 16.329 3.973 ( 7.539 -6.065 7.093) 11.997 4.084 ( 3.209 -7.374 1.413) 8.165 4.126 ( -1.516 -6.508 0.381) 6.693 4.241 ( -6.434 -8.851 -5.755) 12.363 5.275 ( 1.349 7.763 4.046) 8.857 5.303 ( -1.637 7.473 3.471) 8.401 5.378 ( 1.191 7.270 -2.448) 7.763 5.410 ( -2.184 7.100 -3.304) 8.130 5.679 ( 3.986 3.636 3.467) 6.413 5.730 ( 0.606 3.876 -0.455) 3.950 5.895 ( -0.903 -0.693 2.337) 2.600 5.964 ( -6.387 -2.242 -3.221) 7.496 6.492 ( 1.049 -1.324 0.069) 1.691 6.510 ( -0.696 -2.109 -1.204) 2.526 6.619 ( 2.088 -0.059 0.212) 2.100 6.660 ( -2.370 -0.008 -3.487) 4.216 7.183 ( 3.909 -2.176 3.837) 5.894 7.209 ( 1.932 -2.123 3.611) 4.613 7.253 ( 4.727 -1.357 0.088) 4.919 7.320 ( 0.961 -0.061 -5.269) 5.357 7.343 ( 3.282 -2.925 4.189) 6.073 7.377 ( 0.892 -1.382 1.063) 1.958 7.561 ( 0.300 -0.460 2.306) 2.370 7.590 ( -3.615 -2.986 -0.077) 4.689 7.725 ( -1.536 -1.036 -2.619) 3.208 7.742 ( -3.806 -1.918 -2.045) 4.728 7.864 ( -0.639 8.290 -2.377) 8.648 7.885 ( -2.765 6.186 -4.226) 7.986 8.167 ( 0.056 3.480 3.140) 4.688 8.182 ( -1.902 3.368 1.576) 4.177 8.326 ( -0.128 6.828 0.048) 6.829 8.343 ( -1.732 6.976 -1.527) 7.348 8.905 ( 4.556 4.540 0.746) 6.475 8.924 ( 3.869 5.972 -0.936) 7.177 9.087 ( -1.550 -7.572 -0.341) 7.737 9.126 ( -4.345 -5.404 -4.055) 8.033 9.661 ( 4.456 -2.900 6.122) 8.108 9.725 ( -1.386 -2.343 1.380) 3.052 9.858 ( 2.392 -6.631 0.158) 7.051 9.919 ( -3.179 -5.483 -4.168) 7.586 ======================= Grid point 145 (52/63) ======================= q-point: ( 0.00 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.000 19.049 3.757) 19.416 1.734 ( 0.000 13.383 -0.826) 13.408 1.782 ( 0.000 13.899 4.439) 14.591 1.989 ( 0.000 9.775 -11.922) 15.418 2.049 ( 0.000 5.300 7.704) 9.351 2.193 ( 0.000 3.784 -6.621) 7.626 2.440 ( 0.000 5.852 3.357) 6.746 2.528 ( 0.000 5.349 -4.833) 7.209 2.623 ( 0.000 6.864 5.842) 9.014 2.753 ( 0.000 6.434 -6.229) 8.955 2.807 ( 0.000 -0.323 1.464) 1.499 2.850 ( 0.000 1.738 -1.405) 2.235 2.961 ( 0.000 7.996 6.567) 10.347 3.052 ( 0.000 7.851 -2.403) 8.210 3.148 ( 0.000 27.015 10.749) 29.075 3.278 ( 0.000 8.307 3.421) 8.983 3.350 ( 0.000 19.427 -8.863) 21.353 3.374 ( 0.000 4.086 -7.175) 8.257 3.662 ( 0.000 0.047 6.082) 6.082 3.775 ( 0.000 1.967 -5.219) 5.577 3.993 ( 0.000 1.841 3.619) 4.060 4.038 ( 0.000 1.113 -1.676) 2.012 4.092 ( 0.000 -1.518 4.702) 4.941 4.174 ( 0.000 -6.757 -3.045) 7.412 5.421 ( 0.000 8.973 3.518) 9.638 5.488 ( 0.000 6.867 -3.247) 7.596 5.531 ( 0.000 7.510 6.965) 10.242 5.598 ( 0.000 3.445 0.757) 3.528 5.723 ( 0.000 6.456 -1.531) 6.635 5.760 ( 0.000 8.493 -5.086) 9.899 5.930 ( 0.000 -5.400 1.392) 5.577 5.959 ( 0.000 -9.128 -1.200) 9.206 6.483 ( 0.000 2.348 -1.408) 2.738 6.483 ( 0.000 2.570 -0.611) 2.641 6.545 ( 0.000 -1.655 6.291) 6.505 6.699 ( 0.000 -3.361 -8.246) 8.905 7.006 ( 0.000 3.676 1.707) 4.053 7.050 ( 0.000 0.537 -2.753) 2.805 7.129 ( 0.000 1.528 1.989) 2.508 7.145 ( 0.000 1.415 0.080) 1.417 7.360 ( 0.000 -2.683 5.809) 6.399 7.432 ( 0.000 -1.716 -0.894) 1.935 7.526 ( 0.000 1.453 4.477) 4.707 7.641 ( 0.000 0.707 -4.516) 4.571 7.841 ( 0.000 -4.586 1.400) 4.795 7.904 ( 0.000 -4.598 -2.969) 5.473 7.990 ( 0.000 5.213 -0.633) 5.252 8.029 ( 0.000 4.090 -4.028) 5.741 8.115 ( 0.000 -0.747 7.820) 7.855 8.265 ( 0.000 -1.316 -5.859) 6.005 8.489 ( 0.000 4.318 2.500) 4.990 8.532 ( 0.000 5.463 -2.484) 6.001 8.835 ( 0.000 2.660 2.161) 3.427 8.851 ( 0.000 5.139 0.653) 5.180 9.078 ( 0.000 -5.049 1.337) 5.223 9.144 ( 0.000 -3.101 -5.122) 5.988 9.485 ( 0.000 -1.481 5.133) 5.343 9.592 ( 0.000 -1.966 -5.577) 5.913 9.778 ( 0.000 -3.833 7.428) 8.358 9.909 ( 0.000 -3.804 -5.782) 6.921 ======================= Grid point 146 (53/63) ======================= q-point: ( 0.20 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 3.677 17.675 3.250) 18.343 1.762 ( 2.160 11.772 -4.414) 12.756 1.831 ( 4.666 14.059 8.114) 16.890 2.018 ( 1.043 9.165 -9.445) 13.202 2.069 ( 2.250 6.458 6.236) 9.255 2.201 ( 2.224 5.818 -6.365) 8.906 2.429 ( -3.353 6.973 3.161) 8.358 2.474 ( -4.963 6.126 -0.631) 7.909 2.558 ( -1.877 4.751 0.317) 5.118 2.650 ( -6.351 4.220 -6.936) 10.308 2.829 ( -3.041 2.216 3.961) 5.464 2.877 ( 1.855 2.817 -0.567) 3.420 3.017 ( 4.467 8.285 3.545) 10.058 3.082 ( 4.819 8.280 -2.797) 9.980 3.207 ( 4.482 21.545 7.340) 23.198 3.286 ( 2.100 9.751 5.062) 11.185 3.351 ( -0.423 14.469 -5.494) 15.483 3.426 ( 4.818 9.921 -7.219) 13.181 3.698 ( 3.611 -0.533 5.443) 6.553 3.799 ( 1.791 3.364 -4.548) 5.934 3.927 ( -6.854 2.621 2.924) 7.899 3.956 ( -6.098 2.945 1.175) 6.873 4.072 ( -2.763 -4.104 2.421) 5.508 4.143 ( -3.134 -7.029 -3.238) 8.350 5.423 ( 0.192 8.441 3.104) 8.996 5.474 ( -1.595 6.371 -0.726) 6.608 5.521 ( -0.353 7.199 3.253) 7.908 5.579 ( -2.023 4.907 -0.859) 5.377 5.720 ( 1.185 5.787 2.198) 6.303 5.802 ( 2.331 6.595 -4.237) 8.178 5.907 ( -1.733 -3.048 1.217) 3.711 5.952 ( -0.894 -6.194 -2.358) 6.687 6.484 ( 0.456 2.021 -0.126) 2.076 6.497 ( 0.608 1.315 -0.068) 1.450 6.567 ( 2.342 -0.587 3.232) 4.035 6.682 ( -1.325 -2.004 -6.692) 7.110 7.053 ( 4.535 1.300 2.582) 5.378 7.112 ( 5.011 -1.389 -2.935) 5.971 7.137 ( 0.998 0.030 3.112) 3.268 7.178 ( 3.500 0.571 -0.643) 3.604 7.343 ( -1.429 -1.762 4.948) 5.443 7.407 ( -2.064 -1.309 -0.707) 2.544 7.551 ( 1.849 1.473 3.210) 3.986 7.623 ( -3.384 -1.650 -0.583) 3.810 7.756 ( -5.274 -3.273 -1.950) 6.506 7.810 ( -6.790 -3.834 -4.007) 8.767 8.018 ( 1.283 6.599 -1.444) 6.875 8.041 ( 0.243 5.884 -3.539) 6.871 8.173 ( 4.529 -0.328 5.788) 7.356 8.261 ( -0.297 0.736 -2.689) 2.803 8.461 ( -2.407 4.040 3.018) 5.588 8.503 ( -3.167 4.510 -1.642) 5.750 8.839 ( 2.211 0.086 2.734) 3.518 8.908 ( 3.736 3.075 -3.536) 5.993 9.045 ( -2.250 -3.021 3.702) 5.281 9.145 ( -0.854 -1.178 -5.986) 6.161 9.519 ( 3.450 -2.069 5.615) 6.908 9.626 ( 3.347 -2.823 -5.131) 6.745 9.757 ( -2.183 -4.155 7.141) 8.545 9.883 ( -2.715 -4.119 -5.564) 7.437 ======================= Grid point 147 (54/63) ======================= q-point: ( 0.40 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 4.241 13.971 2.394) 14.795 1.797 ( 0.716 11.223 -0.836) 11.276 1.911 ( 3.406 10.807 1.851) 11.481 1.983 ( -3.939 9.564 -5.222) 11.587 2.149 ( 6.363 10.991 7.382) 14.689 2.276 ( -1.655 8.337 -0.503) 8.515 2.308 ( -0.491 10.960 -0.475) 10.982 2.397 ( -4.831 6.448 -4.578) 9.267 2.555 ( 0.860 2.506 -0.994) 2.830 2.578 ( -1.693 3.355 -3.057) 4.844 2.783 ( -0.069 2.340 0.339) 2.366 2.836 ( -4.271 2.631 -4.225) 6.558 3.124 ( 5.642 7.005 4.601) 10.103 3.180 ( 1.789 9.204 0.985) 9.428 3.249 ( 2.209 7.799 0.887) 8.155 3.314 ( -2.873 9.683 -3.695) 10.755 3.421 ( 10.266 18.972 6.962) 22.667 3.528 ( 4.248 14.039 -3.420) 15.061 3.705 ( -8.284 12.029 2.153) 14.763 3.726 ( -5.926 9.682 0.666) 11.371 3.859 ( 3.861 -2.861 4.176) 6.366 3.930 ( 1.861 -6.536 -0.032) 6.796 3.997 ( -3.117 -4.973 -0.481) 5.888 4.060 ( -5.307 -7.024 -3.859) 9.613 5.427 ( 0.324 7.165 2.084) 7.469 5.442 ( -1.337 6.247 1.205) 6.501 5.524 ( 0.535 6.886 0.287) 6.913 5.542 ( -1.482 6.129 -0.882) 6.367 5.760 ( 2.667 4.182 4.230) 6.519 5.808 ( -1.843 3.126 2.232) 4.260 5.898 ( 1.104 1.147 -3.546) 3.887 5.927 ( -1.583 -1.227 -3.974) 4.450 6.493 ( 0.526 1.491 0.384) 1.627 6.501 ( -0.184 1.291 0.069) 1.306 6.620 ( 2.679 -0.011 -0.311) 2.697 6.658 ( -1.367 -0.404 -3.489) 3.769 7.137 ( 2.556 -2.137 2.724) 4.303 7.156 ( 0.298 -2.651 2.464) 3.632 7.195 ( 5.170 -3.442 4.649) 7.758 7.286 ( 2.615 -2.901 1.531) 4.194 7.305 ( 0.785 -1.648 -1.166) 2.166 7.380 ( -1.003 0.685 -3.123) 3.350 7.520 ( -4.576 -2.971 1.360) 5.623 7.531 ( -4.553 -2.507 -0.041) 5.198 7.703 ( 0.333 -0.713 -2.679) 2.793 7.732 ( -1.897 0.145 -4.778) 5.143 8.032 ( 0.433 8.220 -2.216) 8.524 8.040 ( -0.326 7.944 -2.809) 8.433 8.240 ( 2.080 3.452 2.991) 5.019 8.257 ( -0.202 4.065 1.173) 4.236 8.420 ( -1.131 1.767 2.481) 3.249 8.437 ( -2.827 1.756 0.522) 3.369 8.900 ( 3.465 -2.992 1.584) 4.844 8.949 ( -0.820 -4.842 -2.367) 5.452 9.036 ( 2.493 4.417 0.849) 5.143 9.103 ( -3.400 2.071 -4.921) 6.330 9.601 ( 4.741 -2.834 6.010) 8.163 9.680 ( -1.884 -2.086 3.068) 4.161 9.725 ( 2.832 -6.102 -1.268) 6.846 9.812 ( -4.573 -4.861 -4.968) 8.320 ======================= Grid point 150 (55/63) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 0.000 11.498 0.489) 11.509 1.994 ( 0.000 15.308 -0.434) 15.314 2.055 ( 0.000 11.836 4.376) 12.619 2.152 ( 0.000 5.147 6.155) 8.024 2.160 ( 0.000 6.470 -5.796) 8.687 2.272 ( 0.000 4.378 -5.758) 7.234 2.555 ( 0.000 5.258 1.592) 5.493 2.627 ( 0.000 3.255 -5.474) 6.369 2.727 ( 0.000 3.716 2.715) 4.602 2.750 ( 0.000 -0.812 0.860) 1.183 2.879 ( 0.000 1.954 -0.417) 1.998 2.884 ( 0.000 4.555 -1.818) 4.904 3.100 ( 0.000 5.023 5.558) 7.491 3.177 ( 0.000 4.227 -0.248) 4.234 3.364 ( 0.000 -5.307 -0.349) 5.319 3.424 ( 0.000 4.494 -2.033) 4.933 3.498 ( 0.000 1.056 2.656) 2.858 3.588 ( 0.000 3.879 -4.307) 5.796 3.722 ( 0.000 10.937 5.140) 12.084 3.839 ( 0.000 5.293 -6.314) 8.239 4.013 ( 0.000 0.504 3.927) 3.960 4.071 ( 0.000 4.596 -1.853) 4.955 4.221 ( 0.000 14.184 1.642) 14.279 4.230 ( 0.000 10.305 0.733) 10.331 5.576 ( 0.000 5.458 1.128) 5.573 5.597 ( 0.000 3.442 -0.983) 3.580 5.657 ( 0.000 4.695 5.259) 7.050 5.683 ( 0.000 5.211 1.463) 5.412 5.832 ( 0.000 -1.604 -0.123) 1.609 5.839 ( 0.000 -3.403 -0.752) 3.485 5.848 ( 0.000 4.665 -0.708) 4.719 5.909 ( 0.000 6.017 -5.276) 8.002 6.527 ( 0.000 0.416 4.590) 4.609 6.537 ( 0.000 2.930 0.142) 2.933 6.556 ( 0.000 3.678 -1.721) 4.061 6.644 ( 0.000 -1.888 -6.858) 7.113 7.054 ( 0.000 0.197 0.181) 0.268 7.068 ( 0.000 1.773 -0.729) 1.917 7.193 ( 0.000 3.936 3.467) 5.245 7.210 ( 0.000 5.129 1.240) 5.276 7.293 ( 0.000 -3.461 4.792) 5.911 7.361 ( 0.000 -4.294 -1.171) 4.451 7.562 ( 0.000 1.668 2.096) 2.679 7.623 ( 0.000 -3.179 2.491) 4.039 7.741 ( 0.000 -4.175 -5.851) 7.188 7.787 ( 0.000 -6.526 -4.307) 7.820 8.013 ( 0.000 -4.289 3.498) 5.535 8.045 ( 0.000 -1.072 -0.727) 1.296 8.167 ( 0.000 4.559 1.597) 4.830 8.256 ( 0.000 1.479 -5.360) 5.560 8.578 ( 0.000 4.326 2.536) 5.014 8.621 ( 0.000 3.354 -2.204) 4.013 8.871 ( 0.000 1.397 3.036) 3.342 8.914 ( 0.000 1.406 -0.258) 1.430 9.004 ( 0.000 -2.443 2.237) 3.313 9.082 ( 0.000 -3.269 -4.692) 5.718 9.487 ( 0.000 1.586 4.195) 4.485 9.577 ( 0.000 0.272 -4.614) 4.622 9.715 ( 0.000 -2.331 6.743) 7.134 9.835 ( 0.000 -3.504 -5.368) 6.411 ======================= Grid point 151 (56/63) ======================= q-point: ( 0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 0.587 11.617 0.862) 11.663 2.009 ( 1.393 13.374 -0.853) 13.474 2.077 ( 1.230 9.276 4.071) 10.205 2.176 ( 0.117 5.621 -5.628) 7.956 2.201 ( 5.842 7.723 5.888) 11.333 2.316 ( 5.002 5.815 -5.598) 9.496 2.549 ( -0.690 5.297 1.434) 5.531 2.616 ( -3.153 6.666 -2.320) 7.730 2.642 ( -2.338 3.039 -0.426) 3.858 2.695 ( -4.843 2.573 -2.898) 6.203 2.878 ( -1.545 2.906 4.246) 5.372 2.936 ( 0.752 2.583 -1.529) 3.095 3.130 ( 3.186 2.965 3.427) 5.539 3.187 ( 2.893 2.489 -2.016) 4.316 3.354 ( -1.061 -1.947 5.260) 5.708 3.465 ( 2.429 2.801 -2.538) 4.493 3.518 ( 2.965 -1.660 -0.532) 3.440 3.569 ( -0.747 2.189 -3.266) 4.002 3.759 ( 2.867 8.168 3.962) 9.521 3.842 ( -0.694 0.876 -3.706) 3.871 3.994 ( -0.992 6.688 2.099) 7.080 4.035 ( -3.413 5.965 -1.684) 7.075 4.193 ( -3.385 12.952 1.725) 13.497 4.201 ( -2.182 13.646 0.975) 13.853 5.568 ( -0.623 5.246 0.786) 5.341 5.579 ( -1.481 3.809 0.049) 4.087 5.644 ( -0.251 5.657 3.266) 6.537 5.692 ( -0.694 6.434 -0.288) 6.478 5.825 ( -0.077 2.276 1.777) 2.889 5.845 ( 0.886 -1.488 0.503) 1.803 5.856 ( 1.179 -0.403 0.084) 1.249 5.936 ( 1.588 4.257 -6.162) 7.656 6.530 ( 0.486 2.012 3.454) 4.027 6.544 ( 0.472 2.662 1.085) 2.913 6.577 ( 2.124 2.068 -1.830) 3.484 6.644 ( 0.057 -1.418 -5.942) 6.109 7.071 ( 2.040 -0.217 1.811) 2.737 7.098 ( 2.215 0.549 -0.350) 2.309 7.159 ( -2.340 0.955 1.604) 2.994 7.181 ( -2.258 -0.599 0.599) 2.412 7.310 ( 0.185 -1.039 5.084) 5.192 7.380 ( 1.824 -0.437 -1.179) 2.215 7.555 ( -5.899 -4.641 3.860) 8.440 7.576 ( -0.883 0.563 0.468) 1.147 7.684 ( -4.033 -3.988 -3.883) 6.873 7.738 ( -0.970 -2.243 -7.644) 8.025 8.103 ( 6.919 -2.919 2.272) 7.845 8.122 ( 5.478 1.831 -1.099) 5.879 8.176 ( 1.408 3.812 2.996) 5.049 8.262 ( 0.748 0.506 -3.870) 3.973 8.527 ( -4.967 2.789 3.080) 6.476 8.572 ( -5.463 2.531 -1.623) 6.236 8.848 ( 0.411 1.231 3.127) 3.385 8.925 ( -1.040 0.043 -4.093) 4.223 9.030 ( 3.536 0.052 4.173) 5.470 9.120 ( 2.171 -1.878 -4.601) 5.423 9.504 ( 1.838 0.601 4.288) 4.703 9.589 ( 1.489 -0.790 -4.106) 4.439 9.691 ( -2.340 -2.271 6.289) 7.084 9.805 ( -3.021 -3.538 -5.114) 6.914 ======================= Grid point 152 (57/63) ======================= q-point: ( 0.40 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 1.123 10.239 1.688) 10.438 2.025 ( -0.133 10.505 0.876) 10.542 2.105 ( 2.180 8.298 -0.213) 8.582 2.151 ( -2.271 6.745 -4.047) 8.187 2.345 ( 7.582 8.461 3.645) 11.931 2.410 ( 2.354 5.748 -3.385) 7.074 2.523 ( -1.756 7.743 1.998) 8.187 2.536 ( -3.166 9.763 2.037) 10.463 2.645 ( 0.109 5.650 -2.732) 6.277 2.653 ( 1.042 4.576 -5.093) 6.925 2.817 ( -1.686 1.353 2.394) 3.226 2.879 ( -5.721 1.568 -3.707) 6.995 3.207 ( 4.937 0.991 5.968) 7.808 3.282 ( 0.665 0.320 3.776) 3.847 3.324 ( 2.652 0.153 0.503) 2.704 3.435 ( -5.132 1.989 -4.467) 7.089 3.615 ( 6.589 -3.827 -0.631) 7.646 3.639 ( 6.866 -1.888 -1.571) 7.292 3.756 ( -4.873 -4.294 1.531) 6.673 3.784 ( -4.722 -1.889 -0.787) 5.146 3.986 ( 0.116 14.515 1.236) 14.567 4.002 ( 0.618 14.685 -0.283) 14.701 4.128 ( -1.979 15.197 1.995) 15.455 4.149 ( -2.905 14.830 0.071) 15.112 5.559 ( -0.317 5.692 0.325) 5.710 5.559 ( -0.455 5.664 0.357) 5.694 5.645 ( 0.370 5.356 1.193) 5.499 5.663 ( -1.571 5.873 -0.369) 6.091 5.834 ( 0.834 2.211 3.685) 4.377 5.848 ( -0.397 1.937 3.492) 4.013 5.902 ( 2.796 -0.736 -3.267) 4.362 5.942 ( -1.091 1.855 -5.305) 5.725 6.544 ( 0.782 3.069 2.070) 3.784 6.551 ( 0.090 3.105 1.220) 3.338 6.622 ( 2.169 0.510 -2.013) 3.002 6.645 ( -0.258 -0.658 -3.572) 3.641 7.089 ( -1.225 -2.813 3.619) 4.745 7.100 ( -2.059 -2.900 3.054) 4.687 7.143 ( 4.423 -1.453 2.635) 5.350 7.236 ( 6.226 -2.182 -4.724) 8.114 7.253 ( -5.050 -2.857 4.862) 7.570 7.377 ( -5.127 -1.656 -6.474) 8.423 7.480 ( -1.221 -1.044 1.891) 2.481 7.493 ( -2.574 -0.999 0.023) 2.761 7.699 ( 2.743 0.599 -1.763) 3.315 7.733 ( -0.616 0.337 -4.754) 4.805 8.178 ( 1.396 6.119 -0.953) 6.349 8.189 ( 0.993 5.772 -2.187) 6.252 8.267 ( 7.055 -1.337 4.296) 8.367 8.311 ( 5.188 -1.012 -0.322) 5.296 8.407 ( -7.167 -0.548 3.412) 7.957 8.440 ( -7.462 0.507 -0.313) 7.486 8.878 ( 1.928 0.996 1.081) 2.424 8.906 ( -0.981 0.267 -1.137) 1.526 9.096 ( 2.909 1.295 0.086) 3.185 9.133 ( -0.845 0.316 -3.267) 3.389 9.556 ( 3.444 -1.393 4.627) 5.933 9.620 ( -1.719 -3.356 2.992) 4.813 9.652 ( 1.851 -1.415 -1.387) 2.712 9.730 ( -4.610 -3.303 -4.422) 7.192 ======================= Grid point 155 (58/63) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.000 5.053 2.493) 5.634 2.201 ( 0.000 4.669 2.736) 5.412 2.217 ( 0.000 4.577 -2.349) 5.145 2.242 ( 0.000 3.820 -1.532) 4.116 2.302 ( 0.000 8.523 3.235) 9.117 2.379 ( 0.000 5.740 -4.120) 7.066 2.638 ( 0.000 0.189 -0.385) 0.429 2.641 ( 0.000 3.413 -0.665) 3.477 2.799 ( 0.000 3.860 0.439) 3.885 2.806 ( 0.000 4.429 -0.502) 4.457 2.928 ( 0.000 2.431 1.222) 2.721 2.951 ( 0.000 2.112 -1.471) 2.574 3.156 ( 0.000 0.091 4.524) 4.525 3.173 ( 0.000 -7.003 7.470) 10.239 3.257 ( 0.000 -1.059 -5.752) 5.849 3.321 ( 0.000 -8.958 -6.375) 10.994 3.526 ( 0.000 2.105 5.372) 5.770 3.603 ( 0.000 -0.892 -1.424) 1.681 3.930 ( 0.000 7.405 -2.756) 7.902 3.953 ( 0.000 5.264 -4.873) 7.173 4.090 ( 0.000 5.593 4.532) 7.199 4.163 ( 0.000 4.063 -2.884) 4.982 4.495 ( 0.000 13.675 3.651) 14.154 4.527 ( 0.000 13.705 0.295) 13.708 5.631 ( 0.000 0.758 0.332) 0.827 5.642 ( 0.000 1.415 -0.926) 1.691 5.697 ( 0.000 0.243 1.585) 1.604 5.735 ( 0.000 -1.498 -2.095) 2.575 5.839 ( 0.000 4.411 3.249) 5.478 5.882 ( 0.000 5.277 3.122) 6.132 5.940 ( 0.000 3.721 -2.097) 4.271 6.003 ( 0.000 3.255 -3.841) 5.035 6.548 ( 0.000 1.733 1.971) 2.624 6.588 ( 0.000 1.870 0.502) 1.936 6.623 ( 0.000 2.476 -1.728) 3.019 6.627 ( 0.000 0.136 -4.122) 4.124 7.068 ( 0.000 1.265 0.371) 1.319 7.082 ( 0.000 0.111 -0.599) 0.609 7.234 ( 0.000 -2.340 2.346) 3.314 7.240 ( 0.000 -1.417 4.198) 4.431 7.296 ( 0.000 0.027 1.752) 1.752 7.328 ( 0.000 5.889 0.347) 5.899 7.519 ( 0.000 -6.034 7.038) 9.270 7.602 ( 0.000 1.945 -1.068) 2.219 7.661 ( 0.000 -4.996 -5.032) 7.091 7.695 ( 0.000 -0.749 -8.735) 8.767 7.906 ( 0.000 -5.787 3.007) 6.522 7.960 ( 0.000 -6.062 -2.070) 6.406 8.257 ( 0.000 4.090 2.437) 4.761 8.310 ( 0.000 2.809 -2.476) 3.745 8.652 ( 0.000 2.804 0.806) 2.918 8.670 ( 0.000 1.631 -1.326) 2.102 8.898 ( 0.000 1.223 2.525) 2.806 8.923 ( 0.000 -0.235 1.251) 1.273 8.971 ( 0.000 -0.924 0.688) 1.152 9.016 ( 0.000 -3.097 -2.829) 4.195 9.535 ( 0.000 2.774 2.557) 3.773 9.591 ( 0.000 0.917 -2.916) 3.056 9.684 ( 0.000 -0.828 4.481) 4.557 9.769 ( 0.000 -3.118 -4.014) 5.082 ======================= Grid point 156 (59/63) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 0.095 5.108 2.361) 5.628 2.193 ( -0.667 5.487 2.948) 6.264 2.225 ( 0.669 4.476 -2.518) 5.179 2.248 ( 0.494 3.865 -1.605) 4.214 2.376 ( 6.718 8.040 2.014) 10.669 2.431 ( 5.247 5.184 -3.286) 8.074 2.639 ( 0.171 3.086 -0.115) 3.093 2.650 ( 1.401 1.802 -1.013) 2.497 2.766 ( -2.177 6.533 1.239) 6.997 2.795 ( -1.099 5.893 -1.744) 6.243 2.930 ( -1.038 1.912 2.563) 3.362 2.972 ( -0.181 0.906 -1.634) 1.877 3.133 ( 0.787 -3.062 3.709) 4.874 3.200 ( -1.703 -0.449 0.904) 1.980 3.225 ( 1.209 -7.889 2.208) 8.281 3.359 ( 2.160 -8.873 -5.931) 10.889 3.522 ( -0.043 1.764 3.288) 3.732 3.581 ( -1.264 -0.367 -1.132) 1.736 3.849 ( -7.194 2.395 -1.289) 7.691 3.880 ( -5.693 2.038 -3.771) 7.126 4.181 ( 6.694 9.247 1.238) 11.483 4.209 ( 4.160 8.759 -1.269) 9.779 4.474 ( -2.155 13.667 3.499) 14.271 4.506 ( -2.232 13.491 0.187) 13.676 5.633 ( 0.764 2.092 0.151) 2.232 5.642 ( 0.450 2.487 -0.739) 2.633 5.733 ( 2.511 1.604 1.841) 3.502 5.771 ( 3.066 -0.933 -1.904) 3.727 5.831 ( -0.330 2.928 1.779) 3.442 5.858 ( -2.550 4.885 0.531) 5.535 5.925 ( -0.963 3.149 1.785) 3.746 6.002 ( -0.726 1.976 -4.031) 4.547 6.559 ( 1.061 1.479 2.145) 2.813 6.595 ( 0.631 1.777 0.673) 2.002 6.618 ( 0.404 1.079 -2.006) 2.314 6.645 ( 0.922 1.474 -3.519) 3.925 7.066 ( -0.175 0.044 2.185) 2.193 7.107 ( 2.209 -0.396 -1.914) 2.949 7.144 ( -5.084 -0.817 2.563) 5.752 7.171 ( -6.051 -0.756 0.227) 6.102 7.302 ( -0.846 0.042 5.420) 5.486 7.394 ( 2.190 1.153 -2.402) 3.449 7.454 ( -3.407 -4.943 4.340) 7.408 7.538 ( -7.262 -4.146 -4.037) 9.286 7.666 ( 3.706 2.718 -1.133) 4.734 7.724 ( 2.652 1.015 -6.467) 7.063 7.997 ( 7.614 -6.342 3.999) 10.686 8.060 ( 7.674 -6.084 -2.299) 10.059 8.267 ( 1.095 4.236 2.476) 5.028 8.314 ( 0.256 3.154 -1.753) 3.617 8.575 ( -6.667 1.913 1.682) 7.137 8.609 ( -6.399 1.174 -1.710) 6.727 8.886 ( 1.226 2.277 2.598) 3.666 8.937 ( -0.500 1.039 -1.909) 2.231 9.016 ( 4.664 -1.359 2.283) 5.367 9.068 ( 3.399 -3.021 -2.505) 5.192 9.536 ( 0.218 2.195 2.540) 3.364 9.588 ( -0.171 0.449 -2.495) 2.541 9.662 ( -2.101 -0.820 3.961) 4.558 9.740 ( -2.848 -3.003 -3.760) 5.592 ======================= Grid point 157 (60/63) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 0.271 5.275 2.740) 5.950 2.180 ( -0.616 5.680 3.075) 6.488 2.238 ( 0.709 3.745 -3.152) 4.946 2.249 ( -0.382 3.889 -3.021) 4.939 2.504 ( 4.714 7.347 0.554) 8.747 2.523 ( 2.527 5.831 -1.569) 6.546 2.665 ( 3.366 5.866 2.006) 7.054 2.712 ( 2.604 4.363 -1.789) 5.387 2.738 ( 1.467 7.215 1.753) 7.569 2.789 ( 1.212 7.028 -3.147) 7.795 2.850 ( -5.986 2.485 2.565) 6.970 2.903 ( -6.600 1.102 -2.754) 7.236 3.169 ( 2.255 -4.311 4.808) 6.840 3.208 ( -0.456 -6.109 6.321) 8.802 3.253 ( 4.173 -6.580 -1.111) 7.870 3.352 ( -3.984 -9.122 -5.216) 11.238 3.556 ( 5.056 0.344 1.581) 5.309 3.613 ( 4.155 -0.575 -3.473) 5.446 3.703 ( -7.209 -0.493 0.284) 7.232 3.750 ( -7.361 -1.121 -3.329) 8.156 4.293 ( 4.203 13.098 0.775) 13.777 4.300 ( 4.566 13.069 0.045) 13.844 4.423 ( -2.412 12.748 2.599) 13.232 4.446 ( -3.703 12.535 0.240) 13.073 5.663 ( 1.524 4.555 -0.216) 4.808 5.664 ( 1.899 4.846 -0.239) 5.211 5.745 ( -0.647 4.509 1.419) 4.771 5.774 ( -3.227 4.919 -1.240) 6.012 5.845 ( 2.709 -0.116 1.566) 3.131 5.875 ( 3.340 -0.798 -0.643) 3.494 5.903 ( -0.957 1.284 1.948) 2.522 5.962 ( -3.434 -0.032 -3.092) 4.621 6.587 ( 1.714 1.334 2.171) 3.071 6.606 ( 0.073 1.697 1.637) 2.359 6.638 ( 1.365 0.823 -2.342) 2.833 6.654 ( -0.123 1.458 -2.703) 3.073 7.039 ( -2.028 -1.646 3.067) 4.029 7.050 ( -3.635 -1.660 2.266) 4.594 7.124 ( 1.863 -0.962 1.339) 2.488 7.164 ( 0.906 -4.125 -1.527) 4.491 7.242 ( -1.059 1.213 0.887) 1.839 7.331 ( -7.057 -1.729 -6.371) 9.663 7.449 ( 1.265 -2.790 0.829) 3.174 7.468 ( -0.691 -2.037 -0.626) 2.240 7.744 ( 3.455 3.923 -0.363) 5.240 7.769 ( 1.054 3.675 -2.517) 4.577 8.138 ( 6.167 -7.099 3.262) 9.953 8.179 ( 2.929 -7.198 -0.905) 7.824 8.305 ( 3.111 4.020 1.501) 5.301 8.326 ( 1.520 4.420 -0.727) 4.730 8.439 ( -6.100 2.010 1.764) 6.661 8.468 ( -7.286 1.479 -1.182) 7.528 8.920 ( 1.649 2.722 1.096) 3.366 8.935 ( -0.044 2.211 -0.115) 2.214 9.089 ( 2.692 -1.655 -0.082) 3.161 9.110 ( 0.628 -2.396 -1.874) 3.106 9.550 ( 1.462 0.721 2.578) 3.050 9.583 ( -1.158 -0.457 0.844) 1.504 9.629 ( 0.132 -0.959 0.000) 0.968 9.674 ( -3.590 -2.371 -2.954) 5.219 ======================= Grid point 160 (61/63) ======================= q-point: ( 0.00 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 0.000 1.231 1.852) 2.224 2.232 ( 0.000 -0.482 0.479) 0.680 2.278 ( 0.000 2.278 0.569) 2.348 2.297 ( 0.000 0.480 -1.860) 1.921 2.434 ( 0.000 4.155 0.994) 4.272 2.461 ( 0.000 1.567 -1.394) 2.097 2.680 ( 0.000 3.191 1.830) 3.678 2.700 ( 0.000 1.882 -0.106) 1.885 2.867 ( 0.000 2.219 0.288) 2.238 2.873 ( 0.000 1.700 -0.344) 1.734 2.964 ( 0.000 0.976 1.037) 1.424 2.972 ( 0.000 0.075 -0.090) 0.117 3.038 ( 0.000 -3.716 2.281) 4.360 3.070 ( 0.000 -5.912 -0.501) 5.934 3.238 ( 0.000 -0.284 -1.670) 1.694 3.247 ( 0.000 -0.691 -2.717) 2.803 3.555 ( 0.000 1.064 3.186) 3.359 3.578 ( 0.000 -1.291 1.077) 1.681 4.026 ( 0.000 2.405 -4.187) 4.828 4.030 ( 0.000 1.993 -4.347) 4.782 4.188 ( 0.000 3.469 1.725) 3.874 4.215 ( 0.000 0.823 -0.996) 1.292 4.705 ( 0.000 6.074 2.551) 6.588 4.719 ( 0.000 4.718 1.018) 4.826 5.642 ( 0.000 0.730 -0.388) 0.826 5.656 ( 0.000 -0.206 -1.729) 1.741 5.697 ( 0.000 -0.116 -0.425) 0.441 5.701 ( 0.000 -0.970 -0.930) 1.344 5.927 ( 0.000 3.353 4.166) 5.348 5.956 ( 0.000 0.940 5.072) 5.158 6.004 ( 0.000 2.860 -3.399) 4.442 6.036 ( 0.000 -0.036 -2.686) 2.686 6.591 ( 0.000 2.260 0.070) 2.261 6.620 ( 0.000 1.434 -1.664) 2.196 6.626 ( 0.000 -0.757 -0.678) 1.016 6.644 ( 0.000 -0.390 -1.639) 1.685 7.089 ( 0.000 0.681 0.683) 0.964 7.095 ( 0.000 0.755 0.070) 0.759 7.189 ( 0.000 -1.537 1.996) 2.519 7.196 ( 0.000 -1.509 0.940) 1.778 7.333 ( 0.000 2.518 5.814) 6.336 7.396 ( 0.000 -2.922 4.267) 5.172 7.448 ( 0.000 3.149 -0.442) 3.180 7.536 ( 0.000 -4.849 -5.027) 6.984 7.700 ( 0.000 4.764 -2.761) 5.506 7.708 ( 0.000 2.071 -4.606) 5.050 7.797 ( 0.000 -4.477 1.124) 4.616 7.832 ( 0.000 -6.208 -1.876) 6.485 8.323 ( 0.000 2.325 2.126) 3.151 8.344 ( 0.000 0.338 0.184) 0.385 8.689 ( 0.000 0.873 -0.751) 1.151 8.691 ( 0.000 0.500 -1.163) 1.266 8.915 ( 0.000 0.367 2.359) 2.388 8.917 ( 0.000 -0.136 2.425) 2.429 8.961 ( 0.000 -0.174 -0.568) 0.594 8.969 ( 0.000 -1.299 -1.272) 1.818 9.586 ( 0.000 1.993 0.727) 2.121 9.604 ( 0.000 0.124 -0.978) 0.986 9.680 ( 0.000 0.552 1.363) 1.471 9.711 ( 0.000 -2.442 -1.777) 3.020 ======================= Grid point 161 (62/63) ======================= q-point: ( 0.20 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.657 1.526 1.411) 2.179 2.242 ( 0.914 -0.403 -0.379) 1.068 2.285 ( -0.040 2.918 1.570) 3.314 2.310 ( 0.383 0.618 -1.189) 1.394 2.491 ( 6.302 3.186 0.311) 7.069 2.505 ( 5.191 1.727 -1.019) 5.564 2.695 ( 1.440 3.125 1.477) 3.744 2.710 ( 0.927 2.150 -0.031) 2.342 2.874 ( 0.757 3.522 0.770) 3.683 2.887 ( 1.216 2.155 -0.411) 2.509 2.954 ( -1.067 1.097 1.761) 2.333 2.983 ( 0.230 0.705 -1.402) 1.586 3.032 ( 0.062 -4.345 3.027) 5.296 3.079 ( 0.707 -6.312 -1.209) 6.466 3.197 ( -3.743 0.565 0.024) 3.786 3.235 ( -1.902 -3.514 -3.262) 5.158 3.547 ( -0.232 0.972 2.367) 2.569 3.566 ( -0.375 -0.929 0.791) 1.276 3.891 ( -9.721 1.523 -2.816) 10.234 3.903 ( -9.200 0.317 -3.825) 9.969 4.320 ( 9.064 3.988 0.297) 9.907 4.331 ( 8.362 2.916 -0.804) 8.892 4.680 ( -2.588 5.919 2.360) 6.878 4.694 ( -2.660 4.619 0.903) 5.406 5.672 ( 3.089 1.701 -0.534) 3.567 5.680 ( 2.501 1.176 -1.244) 3.031 5.728 ( 3.154 -0.812 -0.327) 3.273 5.735 ( 3.335 -1.687 -1.022) 3.874 5.909 ( -1.912 3.550 3.338) 5.234 5.944 ( -1.548 1.114 4.049) 4.476 5.970 ( -3.156 2.582 -2.302) 4.683 6.013 ( -2.553 -0.889 -2.278) 3.535 6.594 ( 0.458 1.812 0.194) 1.879 6.614 ( -0.193 0.274 -1.603) 1.637 6.635 ( 1.015 0.696 0.236) 1.253 6.655 ( 0.824 -0.685 -1.749) 2.051 7.075 ( -1.517 0.705 1.168) 2.040 7.089 ( -0.945 -0.805 -0.192) 1.256 7.144 ( -3.602 0.366 1.689) 3.995 7.155 ( -4.248 -0.699 0.767) 4.373 7.313 ( -1.887 1.419 4.331) 4.932 7.365 ( -1.335 -3.603 3.690) 5.327 7.416 ( -2.823 1.216 -4.355) 5.331 7.460 ( -5.127 -3.200 -4.698) 7.655 7.746 ( 5.073 4.654 -0.107) 6.886 7.785 ( 5.851 4.146 -3.494) 7.977 7.873 ( 6.515 -5.002 2.955) 8.729 7.927 ( 6.924 -6.619 -2.212) 9.831 8.335 ( 1.155 2.285 2.223) 3.391 8.353 ( 0.895 0.535 0.547) 1.178 8.605 ( -6.876 1.111 -0.110) 6.966 8.619 ( -6.689 -0.186 -1.391) 6.834 8.934 ( 2.538 2.471 1.822) 3.983 8.963 ( 0.927 1.398 -0.331) 1.710 8.983 ( 4.070 -1.732 1.017) 4.539 9.008 ( 2.783 -2.700 -0.916) 3.984 9.580 ( -0.530 1.838 0.721) 2.044 9.597 ( -0.617 0.091 -0.906) 1.100 9.656 ( -2.274 0.404 1.238) 2.621 9.685 ( -2.541 -2.330 -1.656) 3.824 ======================= Grid point 162 (63/63) ======================= q-point: ( 0.40 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 1.231 2.201 1.478) 2.923 2.264 ( 0.666 0.656 -0.156) 0.948 2.269 ( -0.643 2.041 0.996) 2.360 2.296 ( -1.514 0.246 -1.035) 1.851 2.625 ( 5.406 4.307 0.187) 6.914 2.635 ( 5.588 4.065 -0.729) 6.949 2.723 ( 1.843 0.294 1.192) 2.215 2.740 ( 1.875 -0.599 -0.216) 1.980 2.890 ( 0.571 5.809 1.443) 6.012 2.905 ( -0.217 5.167 0.478) 5.194 2.925 ( -0.791 2.933 0.847) 3.153 2.956 ( -2.589 4.914 -2.106) 5.940 3.053 ( 1.633 -5.935 2.736) 6.736 3.101 ( 1.805 -7.031 -1.795) 7.477 3.109 ( -4.077 -2.838 3.161) 5.888 3.171 ( -4.366 -7.592 -2.527) 9.115 3.579 ( 4.316 1.402 0.381) 4.554 3.602 ( 4.409 -0.796 -1.589) 4.754 3.712 ( -8.614 0.907 -1.707) 8.828 3.731 ( -8.325 -0.938 -3.126) 8.942 4.480 ( 7.313 5.078 0.542) 8.920 4.485 ( 7.466 4.688 0.037) 8.815 4.607 ( -4.974 5.094 1.687) 7.316 4.618 ( -5.277 4.134 0.582) 6.729 5.743 ( 3.822 3.371 -0.219) 5.101 5.750 ( 4.378 3.504 -0.866) 5.674 5.800 ( 3.157 -0.593 0.041) 3.212 5.807 ( 2.765 -1.288 -0.706) 3.131 5.868 ( -0.796 1.635 0.952) 2.053 5.883 ( -3.768 3.405 -0.151) 5.081 5.907 ( -3.272 -1.042 1.619) 3.797 5.941 ( -4.686 -2.000 -1.261) 5.248 6.615 ( 1.625 1.432 0.626) 2.254 6.626 ( 0.997 0.647 -0.408) 1.257 6.650 ( 0.297 0.060 0.261) 0.400 6.662 ( -0.471 -0.749 -0.820) 1.206 7.035 ( -1.742 1.283 1.314) 2.531 7.046 ( -2.761 1.173 0.587) 3.057 7.088 ( -1.471 -3.154 0.196) 3.485 7.091 ( -1.778 -2.212 0.238) 2.848 7.292 ( 0.573 3.534 0.034) 3.580 7.337 ( -3.946 2.304 -4.120) 6.153 7.374 ( 1.426 -4.301 0.279) 4.540 7.405 ( -1.763 -3.829 -2.466) 4.884 7.848 ( 4.473 6.153 1.462) 7.746 7.875 ( 2.204 6.358 -0.919) 6.791 7.989 ( 4.888 -7.147 2.861) 9.120 8.023 ( 2.038 -7.641 -0.372) 7.917 8.371 ( 3.043 2.196 1.363) 3.993 8.384 ( 2.760 1.135 0.201) 2.991 8.470 ( -6.407 1.145 0.146) 6.510 8.483 ( -6.635 -0.057 -1.102) 6.726 8.980 ( 1.677 3.139 0.581) 3.606 8.986 ( 0.940 2.710 0.159) 2.873 9.042 ( 1.899 -2.728 0.031) 3.325 9.050 ( 1.104 -3.293 -0.577) 3.521 9.575 ( 0.336 1.447 0.720) 1.651 9.589 ( -0.293 0.523 -0.411) 0.727 9.612 ( -1.479 -0.533 0.458) 1.638 9.631 ( -2.620 -1.893 -1.246) 3.464 =================== 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 3/19500 10.0 1250.079 1474.404 1225.685 0.000 0.000 -0.000 3/19500 20.0 272.646 353.890 244.746 0.000 0.000 0.000 3/19500 30.0 108.745 151.761 98.994 0.000 0.000 0.000 3/19500 40.0 62.060 90.427 55.901 0.000 0.000 0.000 3/19500 50.0 41.053 61.218 36.467 0.000 0.000 0.000 3/19500 60.0 29.375 44.438 25.841 0.000 0.000 0.000 3/19500 70.0 22.231 33.969 19.437 0.000 0.000 0.000 3/19500 80.0 17.589 27.071 15.317 0.000 0.000 0.000 3/19500 90.0 14.420 22.313 12.522 0.000 0.000 0.000 3/19500 100.0 12.163 18.895 10.540 0.000 0.000 0.000 3/19500 110.0 10.495 16.353 9.080 0.000 0.000 0.000 3/19500 120.0 9.223 14.402 7.968 0.000 0.000 0.000 3/19500 130.0 8.225 12.866 7.098 0.000 0.000 0.000 3/19500 140.0 7.424 11.628 6.401 0.000 0.000 0.000 3/19500 150.0 6.768 10.612 5.831 0.000 0.000 0.000 3/19500 160.0 6.222 9.763 5.356 0.000 0.000 0.000 3/19500 170.0 5.759 9.043 4.955 0.000 0.000 0.000 3/19500 180.0 5.363 8.426 4.612 0.000 0.000 0.000 3/19500 190.0 5.020 7.890 4.315 0.000 0.000 0.000 3/19500 200.0 4.720 7.421 4.055 0.000 0.000 0.000 3/19500 210.0 4.455 7.007 3.826 0.000 0.000 0.000 3/19500 220.0 4.219 6.638 3.623 0.000 0.000 0.000 3/19500 230.0 4.008 6.307 3.440 0.000 0.000 0.000 3/19500 240.0 3.818 6.009 3.276 0.000 0.000 0.000 3/19500 250.0 3.646 5.739 3.128 0.000 0.000 0.000 3/19500 260.0 3.489 5.493 2.993 0.000 0.000 0.000 3/19500 270.0 3.346 5.267 2.869 0.000 0.000 0.000 3/19500 280.0 3.214 5.061 2.756 0.000 0.000 0.000 3/19500 290.0 3.093 4.870 2.651 0.000 0.000 0.000 3/19500 300.0 2.980 4.694 2.555 0.000 0.000 0.000 3/19500 310.0 2.876 4.530 2.465 0.000 0.000 0.000 3/19500 320.0 2.779 4.378 2.382 0.000 0.000 0.000 3/19500 330.0 2.689 4.236 2.304 0.000 0.000 0.000 3/19500 340.0 2.604 4.103 2.231 0.000 0.000 0.000 3/19500 350.0 2.525 3.978 2.163 0.000 0.000 0.000 3/19500 360.0 2.451 3.861 2.099 0.000 0.000 0.000 3/19500 370.0 2.381 3.751 2.039 0.000 0.000 0.000 3/19500 380.0 2.315 3.647 1.982 0.000 0.000 0.000 3/19500 390.0 2.252 3.548 1.929 0.000 0.000 0.000 3/19500 400.0 2.193 3.455 1.878 0.000 0.000 0.000 3/19500 410.0 2.137 3.367 1.830 0.000 0.000 0.000 3/19500 420.0 2.084 3.284 1.784 0.000 0.000 0.000 3/19500 430.0 2.033 3.204 1.741 0.000 0.000 0.000 3/19500 440.0 1.985 3.128 1.700 0.000 0.000 0.000 3/19500 450.0 1.939 3.056 1.660 0.000 0.000 0.000 3/19500 460.0 1.896 2.988 1.623 0.000 0.000 0.000 3/19500 470.0 1.854 2.922 1.587 0.000 0.000 0.000 3/19500 480.0 1.814 2.859 1.553 0.000 0.000 0.000 3/19500 490.0 1.776 2.799 1.520 0.000 0.000 0.000 3/19500 500.0 1.739 2.741 1.489 0.000 0.000 0.000 3/19500 510.0 1.704 2.686 1.459 0.000 0.000 0.000 3/19500 520.0 1.670 2.633 1.430 0.000 0.000 0.000 3/19500 530.0 1.638 2.582 1.402 0.000 0.000 0.000 3/19500 540.0 1.607 2.533 1.375 0.000 0.000 0.000 3/19500 550.0 1.577 2.486 1.350 0.000 0.000 0.000 3/19500 560.0 1.548 2.440 1.325 0.000 0.000 0.000 3/19500 570.0 1.520 2.396 1.301 0.000 0.000 0.000 3/19500 580.0 1.494 2.354 1.278 0.000 0.000 0.000 3/19500 590.0 1.468 2.313 1.256 0.000 0.000 0.000 3/19500 600.0 1.443 2.274 1.235 0.000 0.000 0.000 3/19500 610.0 1.419 2.236 1.214 0.000 0.000 0.000 3/19500 620.0 1.395 2.199 1.194 0.000 0.000 0.000 3/19500 630.0 1.373 2.164 1.175 0.000 0.000 0.000 3/19500 640.0 1.351 2.129 1.156 0.000 0.000 0.000 3/19500 650.0 1.330 2.096 1.138 0.000 0.000 0.000 3/19500 660.0 1.309 2.064 1.120 0.000 0.000 0.000 3/19500 670.0 1.289 2.032 1.103 0.000 0.000 0.000 3/19500 680.0 1.270 2.002 1.087 0.000 0.000 0.000 3/19500 690.0 1.251 1.973 1.071 0.000 0.000 0.000 3/19500 700.0 1.233 1.944 1.055 0.000 0.000 0.000 3/19500 710.0 1.216 1.916 1.040 0.000 0.000 0.000 3/19500 720.0 1.199 1.889 1.025 0.000 0.000 0.000 3/19500 730.0 1.182 1.863 1.011 0.000 0.000 0.000 3/19500 740.0 1.166 1.838 0.997 0.000 0.000 0.000 3/19500 750.0 1.150 1.813 0.984 0.000 0.000 0.000 3/19500 760.0 1.135 1.789 0.971 0.000 0.000 0.000 3/19500 770.0 1.120 1.765 0.958 0.000 0.000 0.000 3/19500 780.0 1.105 1.742 0.945 0.000 0.000 0.000 3/19500 790.0 1.091 1.720 0.933 0.000 0.000 0.000 3/19500 800.0 1.077 1.698 0.922 0.000 0.000 0.000 3/19500 810.0 1.064 1.677 0.910 0.000 0.000 0.000 3/19500 820.0 1.051 1.656 0.899 0.000 0.000 0.000 3/19500 830.0 1.038 1.636 0.888 0.000 0.000 0.000 3/19500 840.0 1.025 1.617 0.877 0.000 0.000 0.000 3/19500 850.0 1.013 1.597 0.867 0.000 0.000 0.000 3/19500 860.0 1.001 1.579 0.857 0.000 0.000 0.000 3/19500 870.0 0.990 1.560 0.847 0.000 0.000 0.000 3/19500 880.0 0.978 1.543 0.837 0.000 0.000 0.000 3/19500 890.0 0.967 1.525 0.827 0.000 0.000 0.000 3/19500 900.0 0.957 1.508 0.818 0.000 0.000 0.000 3/19500 910.0 0.946 1.491 0.809 0.000 0.000 0.000 3/19500 920.0 0.936 1.475 0.800 0.000 0.000 0.000 3/19500 930.0 0.925 1.459 0.792 0.000 0.000 0.000 3/19500 940.0 0.915 1.443 0.783 0.000 0.000 0.000 3/19500 950.0 0.906 1.428 0.775 0.000 0.000 0.000 3/19500 960.0 0.896 1.413 0.767 0.000 0.000 0.000 3/19500 970.0 0.887 1.398 0.759 0.000 0.000 0.000 3/19500 980.0 0.878 1.384 0.751 0.000 0.000 0.000 3/19500 990.0 0.869 1.370 0.743 0.000 0.000 0.000 3/19500 1000.0 0.860 1.356 0.736 0.000 0.000 0.000 3/19500 Thermal conductivity related properties were written into "kappa-m5135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:49:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|