----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:23:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.486223219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.115310180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.637444860000000 Atomic positions (fractional): *1 S 0.87094897203815 0.25000000000000 0.06721416620158 32.065 2 S 0.12905102796185 0.75000000000000 0.93278583379842 32.065 3 S 0.37094897203815 0.25000000000000 0.43278583379842 32.065 4 S 0.62905102796185 0.75000000000000 0.56721416620158 32.065 *5 S 0.64480674762954 0.25000000000000 0.27999876889067 32.065 6 S 0.35519325237046 0.75000000000000 0.72000123110933 32.065 7 S 0.14480674762954 0.25000000000000 0.22000123110933 32.065 8 S 0.85519325237046 0.75000000000000 0.77999876889067 32.065 *9 S 0.99153485830833 0.75000000000000 0.38971247531662 32.065 10 S 0.00846514169167 0.25000000000000 0.61028752468338 32.065 11 S 0.49153485830833 0.75000000000000 0.11028752468338 32.065 12 S 0.50846514169167 0.25000000000000 0.88971247531662 32.065 *13 La 0.64444285656240 0.25000000000000 0.70480375564299 138.905 14 La 0.35555714343760 0.75000000000000 0.29519624435701 138.905 15 La 0.14444285656240 0.25000000000000 0.79519624435701 138.905 16 La 0.85555714343760 0.75000000000000 0.20480375564299 138.905 *17 La 0.26415720086821 0.25000000000000 0.04404470666225 138.905 18 La 0.73584279913179 0.75000000000000 0.95595529333775 138.905 19 La 0.76415720086821 0.25000000000000 0.45595529333775 138.905 20 La 0.23584279913179 0.75000000000000 0.54404470666225 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.486223219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.115310180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.637444860000000 Atomic positions (fractional): *1 S 0.87094897203815 0.25000000000000 0.06721416620158 32.065 > 1 2 S 0.12905102796185 0.75000000000000 0.93278583379842 32.065 > 2 3 S 0.37094897203815 0.25000000000000 0.43278583379842 32.065 > 3 4 S 0.62905102796185 0.75000000000000 0.56721416620158 32.065 > 4 *5 S 0.64480674762954 0.25000000000000 0.27999876889067 32.065 > 5 6 S 0.35519325237046 0.75000000000000 0.72000123110933 32.065 > 6 7 S 0.14480674762954 0.25000000000000 0.22000123110933 32.065 > 7 8 S 0.85519325237046 0.75000000000000 0.77999876889067 32.065 > 8 *9 S 0.99153485830833 0.75000000000000 0.38971247531662 32.065 > 9 10 S 0.00846514169167 0.25000000000000 0.61028752468338 32.065 > 10 11 S 0.49153485830833 0.75000000000000 0.11028752468338 32.065 > 11 12 S 0.50846514169167 0.25000000000000 0.88971247531662 32.065 > 12 *13 La 0.64444285656240 0.25000000000000 0.70480375564299 138.905 > 13 14 La 0.35555714343760 0.75000000000000 0.29519624435701 138.905 > 14 15 La 0.14444285656240 0.25000000000000 0.79519624435701 138.905 > 15 16 La 0.85555714343760 0.75000000000000 0.20480375564299 138.905 > 16 *17 La 0.26415720086821 0.25000000000000 0.04404470666225 138.905 > 17 18 La 0.73584279913179 0.75000000000000 0.95595529333775 138.905 > 18 19 La 0.76415720086821 0.25000000000000 0.45595529333775 138.905 > 19 20 La 0.23584279913179 0.75000000000000 0.54404470666225 138.905 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.972446439999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.345930539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.637444860000000 Atomic positions (fractional): *1 S 0.43547448601908 0.08333333333333 0.06721416620158 32.065 > 1 2 S 0.93547448601908 0.08333333333333 0.06721416620158 32.065 > 1 3 S 0.43547448601908 0.41666666666667 0.06721416620158 32.065 > 1 4 S 0.93547448601908 0.41666666666667 0.06721416620158 32.065 > 1 5 S 0.43547448601908 0.75000000000000 0.06721416620158 32.065 > 1 6 S 0.93547448601908 0.75000000000000 0.06721416620158 32.065 > 1 7 S 0.06452551398092 0.25000000000000 0.93278583379842 32.065 > 2 8 S 0.56452551398092 0.25000000000000 0.93278583379842 32.065 > 2 9 S 0.06452551398092 0.58333333333333 0.93278583379842 32.065 > 2 10 S 0.56452551398092 0.58333333333333 0.93278583379842 32.065 > 2 11 S 0.06452551398092 0.91666666666667 0.93278583379842 32.065 > 2 12 S 0.56452551398092 0.91666666666667 0.93278583379842 32.065 > 2 13 S 0.18547448601908 0.08333333333333 0.43278583379842 32.065 > 3 14 S 0.68547448601908 0.08333333333333 0.43278583379842 32.065 > 3 15 S 0.18547448601908 0.41666666666667 0.43278583379842 32.065 > 3 16 S 0.68547448601908 0.41666666666667 0.43278583379842 32.065 > 3 17 S 0.18547448601908 0.75000000000000 0.43278583379842 32.065 > 3 18 S 0.68547448601908 0.75000000000000 0.43278583379842 32.065 > 3 19 S 0.31452551398092 0.25000000000000 0.56721416620158 32.065 > 4 20 S 0.81452551398092 0.25000000000000 0.56721416620158 32.065 > 4 21 S 0.31452551398092 0.58333333333333 0.56721416620158 32.065 > 4 22 S 0.81452551398092 0.58333333333333 0.56721416620158 32.065 > 4 23 S 0.31452551398092 0.91666666666667 0.56721416620158 32.065 > 4 24 S 0.81452551398092 0.91666666666667 0.56721416620158 32.065 > 4 *25 S 0.32240337381477 0.08333333333333 0.27999876889067 32.065 > 5 26 S 0.82240337381477 0.08333333333333 0.27999876889067 32.065 > 5 27 S 0.32240337381477 0.41666666666667 0.27999876889067 32.065 > 5 28 S 0.82240337381477 0.41666666666667 0.27999876889067 32.065 > 5 29 S 0.32240337381477 0.75000000000000 0.27999876889067 32.065 > 5 30 S 0.82240337381477 0.75000000000000 0.27999876889067 32.065 > 5 31 S 0.17759662618523 0.25000000000000 0.72000123110933 32.065 > 6 32 S 0.67759662618523 0.25000000000000 0.72000123110933 32.065 > 6 33 S 0.17759662618523 0.58333333333333 0.72000123110933 32.065 > 6 34 S 0.67759662618523 0.58333333333333 0.72000123110933 32.065 > 6 35 S 0.17759662618523 0.91666666666667 0.72000123110933 32.065 > 6 36 S 0.67759662618523 0.91666666666667 0.72000123110933 32.065 > 6 37 S 0.07240337381477 0.08333333333333 0.22000123110933 32.065 > 7 38 S 0.57240337381477 0.08333333333333 0.22000123110933 32.065 > 7 39 S 0.07240337381477 0.41666666666667 0.22000123110933 32.065 > 7 40 S 0.57240337381477 0.41666666666667 0.22000123110933 32.065 > 7 41 S 0.07240337381477 0.75000000000000 0.22000123110933 32.065 > 7 42 S 0.57240337381477 0.75000000000000 0.22000123110933 32.065 > 7 43 S 0.42759662618523 0.25000000000000 0.77999876889067 32.065 > 8 44 S 0.92759662618523 0.25000000000000 0.77999876889067 32.065 > 8 45 S 0.42759662618523 0.58333333333333 0.77999876889067 32.065 > 8 46 S 0.92759662618523 0.58333333333333 0.77999876889067 32.065 > 8 47 S 0.42759662618523 0.91666666666667 0.77999876889067 32.065 > 8 48 S 0.92759662618523 0.91666666666667 0.77999876889067 32.065 > 8 *49 S 0.49576742915417 0.25000000000000 0.38971247531662 32.065 > 9 50 S 0.99576742915417 0.25000000000000 0.38971247531662 32.065 > 9 51 S 0.49576742915417 0.58333333333333 0.38971247531662 32.065 > 9 52 S 0.99576742915417 0.58333333333333 0.38971247531662 32.065 > 9 53 S 0.49576742915417 0.91666666666667 0.38971247531662 32.065 > 9 54 S 0.99576742915417 0.91666666666667 0.38971247531662 32.065 > 9 55 S 0.00423257084583 0.08333333333333 0.61028752468338 32.065 > 10 56 S 0.50423257084583 0.08333333333333 0.61028752468338 32.065 > 10 57 S 0.00423257084583 0.41666666666667 0.61028752468338 32.065 > 10 58 S 0.50423257084583 0.41666666666667 0.61028752468338 32.065 > 10 59 S 0.00423257084583 0.75000000000000 0.61028752468338 32.065 > 10 60 S 0.50423257084583 0.75000000000000 0.61028752468338 32.065 > 10 61 S 0.24576742915417 0.25000000000000 0.11028752468338 32.065 > 11 62 S 0.74576742915417 0.25000000000000 0.11028752468338 32.065 > 11 63 S 0.24576742915417 0.58333333333333 0.11028752468338 32.065 > 11 64 S 0.74576742915417 0.58333333333333 0.11028752468338 32.065 > 11 65 S 0.24576742915417 0.91666666666667 0.11028752468338 32.065 > 11 66 S 0.74576742915417 0.91666666666667 0.11028752468338 32.065 > 11 67 S 0.25423257084583 0.08333333333333 0.88971247531662 32.065 > 12 68 S 0.75423257084583 0.08333333333333 0.88971247531662 32.065 > 12 69 S 0.25423257084583 0.41666666666667 0.88971247531662 32.065 > 12 70 S 0.75423257084583 0.41666666666667 0.88971247531662 32.065 > 12 71 S 0.25423257084583 0.75000000000000 0.88971247531662 32.065 > 12 72 S 0.75423257084583 0.75000000000000 0.88971247531662 32.065 > 12 *73 La 0.32222142828120 0.08333333333333 0.70480375564299 138.905 > 13 74 La 0.82222142828120 0.08333333333333 0.70480375564299 138.905 > 13 75 La 0.32222142828120 0.41666666666667 0.70480375564299 138.905 > 13 76 La 0.82222142828120 0.41666666666667 0.70480375564299 138.905 > 13 77 La 0.32222142828120 0.75000000000000 0.70480375564299 138.905 > 13 78 La 0.82222142828120 0.75000000000000 0.70480375564299 138.905 > 13 79 La 0.17777857171880 0.25000000000000 0.29519624435701 138.905 > 14 80 La 0.67777857171880 0.25000000000000 0.29519624435701 138.905 > 14 81 La 0.17777857171880 0.58333333333333 0.29519624435701 138.905 > 14 82 La 0.67777857171880 0.58333333333333 0.29519624435701 138.905 > 14 83 La 0.17777857171880 0.91666666666667 0.29519624435701 138.905 > 14 84 La 0.67777857171880 0.91666666666667 0.29519624435701 138.905 > 14 85 La 0.07222142828120 0.08333333333333 0.79519624435701 138.905 > 15 86 La 0.57222142828120 0.08333333333333 0.79519624435701 138.905 > 15 87 La 0.07222142828120 0.41666666666667 0.79519624435701 138.905 > 15 88 La 0.57222142828120 0.41666666666667 0.79519624435701 138.905 > 15 89 La 0.07222142828120 0.75000000000000 0.79519624435701 138.905 > 15 90 La 0.57222142828120 0.75000000000000 0.79519624435701 138.905 > 15 91 La 0.42777857171880 0.25000000000000 0.20480375564299 138.905 > 16 92 La 0.92777857171880 0.25000000000000 0.20480375564299 138.905 > 16 93 La 0.42777857171880 0.58333333333333 0.20480375564299 138.905 > 16 94 La 0.92777857171880 0.58333333333333 0.20480375564299 138.905 > 16 95 La 0.42777857171880 0.91666666666667 0.20480375564299 138.905 > 16 96 La 0.92777857171880 0.91666666666667 0.20480375564299 138.905 > 16 *97 La 0.13207860043411 0.08333333333333 0.04404470666225 138.905 > 17 98 La 0.63207860043411 0.08333333333333 0.04404470666225 138.905 > 17 99 La 0.13207860043411 0.41666666666667 0.04404470666225 138.905 > 17 100 La 0.63207860043411 0.41666666666667 0.04404470666225 138.905 > 17 101 La 0.13207860043411 0.75000000000000 0.04404470666225 138.905 > 17 102 La 0.63207860043411 0.75000000000000 0.04404470666225 138.905 > 17 103 La 0.36792139956589 0.25000000000000 0.95595529333775 138.905 > 18 104 La 0.86792139956589 0.25000000000000 0.95595529333775 138.905 > 18 105 La 0.36792139956589 0.58333333333333 0.95595529333775 138.905 > 18 106 La 0.86792139956589 0.58333333333333 0.95595529333775 138.905 > 18 107 La 0.36792139956589 0.91666666666667 0.95595529333775 138.905 > 18 108 La 0.86792139956589 0.91666666666667 0.95595529333775 138.905 > 18 109 La 0.38207860043411 0.08333333333333 0.45595529333775 138.905 > 19 110 La 0.88207860043411 0.08333333333333 0.45595529333775 138.905 > 19 111 La 0.38207860043411 0.41666666666667 0.45595529333775 138.905 > 19 112 La 0.88207860043411 0.41666666666667 0.45595529333775 138.905 > 19 113 La 0.38207860043411 0.75000000000000 0.45595529333775 138.905 > 19 114 La 0.88207860043411 0.75000000000000 0.45595529333775 138.905 > 19 115 La 0.11792139956589 0.25000000000000 0.54404470666225 138.905 > 20 116 La 0.61792139956589 0.25000000000000 0.54404470666225 138.905 > 20 117 La 0.11792139956589 0.58333333333333 0.54404470666225 138.905 > 20 118 La 0.61792139956589 0.58333333333333 0.54404470666225 138.905 > 20 119 La 0.11792139956589 0.91666666666667 0.54404470666225 138.905 > 20 120 La 0.61792139956589 0.91666666666667 0.54404470666225 138.905 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.9318944 0.0000000 0.0000000 0.0000000 8.0165483 0.0000000 0.0000000 0.0000000 8.4559130 -------------------------- Born effective charges -------------------------- 1 S -2.1925022 0.0000000 -0.2546208 0.0000000 -3.1825419 0.0000000 -0.3552959 0.0000000 -2.9856202 2 S -2.1925022 0.0000000 -0.2546208 0.0000000 -3.1825419 0.0000000 -0.3552959 0.0000000 -2.9856202 3 S -2.1925022 0.0000000 0.2546208 0.0000000 -3.1825419 0.0000000 0.3552959 0.0000000 -2.9856202 4 S -2.1925022 0.0000000 0.2546208 0.0000000 -3.1825419 0.0000000 0.3552959 0.0000000 -2.9856202 5 S -2.6828816 0.0000000 0.3214975 0.0000000 -3.2600657 0.0000000 0.3932730 0.0000000 -2.2985375 6 S -2.6828816 0.0000000 0.3214975 0.0000000 -3.2600657 0.0000000 0.3932730 0.0000000 -2.2985375 7 S -2.6828816 0.0000000 -0.3214975 0.0000000 -3.2600657 0.0000000 -0.3932730 0.0000000 -2.2985375 8 S -2.6828816 0.0000000 -0.3214975 0.0000000 -3.2600657 0.0000000 -0.3932730 0.0000000 -2.2985375 9 S -2.9831125 0.0000000 -0.0052832 0.0000000 -2.2711221 0.0000000 0.3504678 0.0000000 -3.0294817 10 S -2.9831125 0.0000000 -0.0052832 0.0000000 -2.2711221 0.0000000 0.3504678 0.0000000 -3.0294817 11 S -2.9831125 0.0000000 0.0052832 0.0000000 -2.2711221 0.0000000 -0.3504678 0.0000000 -3.0294817 12 S -2.9831125 0.0000000 0.0052832 0.0000000 -2.2711221 0.0000000 -0.3504678 0.0000000 -3.0294817 13 La 3.8517350 0.0000000 -0.0246825 0.0000000 4.7058658 0.0000000 -0.1499528 0.0000000 4.0880651 14 La 3.8517350 0.0000000 -0.0246825 0.0000000 4.7058658 0.0000000 -0.1499528 0.0000000 4.0880651 15 La 3.8517350 0.0000000 0.0246825 0.0000000 4.7058658 0.0000000 0.1499528 0.0000000 4.0880651 16 La 3.8517350 0.0000000 0.0246825 0.0000000 4.7058658 0.0000000 0.1499528 0.0000000 4.0880651 17 La 4.0067612 0.0000000 -0.0296242 0.0000000 4.0078639 0.0000000 0.2796470 0.0000000 4.2255743 18 La 4.0067612 0.0000000 -0.0296242 0.0000000 4.0078639 0.0000000 0.2796470 0.0000000 4.2255743 19 La 4.0067612 0.0000000 0.0296242 0.0000000 4.0078639 0.0000000 -0.2796470 0.0000000 4.2255743 20 La 4.0067612 0.0000000 0.0296242 0.0000000 4.0078639 0.0000000 -0.2796470 0.0000000 4.2255743 ---------------------------------------------------------------------------- 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): 0.004 Solver_block: 100 / 320 - Time: 2.175 Solver_block: 200 / 320 - Time: 2.130 Solver_block: 300 / 320 - Time: 2.135 Solver_block: 320 / 320 - Time: 0.530 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.003 --------------------------------- 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:23:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:23:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.486223219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.115310180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.637444860000000 Atomic positions (fractional): 1 S 0.87094897203815 0.25000000000000 0.06721416620158 32.065 2 S 0.12905102796185 0.75000000000000 0.93278583379842 32.065 3 S 0.37094897203815 0.25000000000000 0.43278583379842 32.065 4 S 0.62905102796185 0.75000000000000 0.56721416620158 32.065 5 S 0.64480674762954 0.25000000000000 0.27999876889067 32.065 6 S 0.35519325237046 0.75000000000000 0.72000123110933 32.065 7 S 0.14480674762954 0.25000000000000 0.22000123110933 32.065 8 S 0.85519325237046 0.75000000000000 0.77999876889067 32.065 9 S 0.99153485830833 0.75000000000000 0.38971247531662 32.065 10 S 0.00846514169167 0.25000000000000 0.61028752468338 32.065 11 S 0.49153485830833 0.75000000000000 0.11028752468338 32.065 12 S 0.50846514169167 0.25000000000000 0.88971247531662 32.065 13 La 0.64444285656240 0.25000000000000 0.70480375564299 138.905 14 La 0.35555714343760 0.75000000000000 0.29519624435701 138.905 15 La 0.14444285656240 0.25000000000000 0.79519624435701 138.905 16 La 0.85555714343760 0.75000000000000 0.20480375564299 138.905 17 La 0.26415720086821 0.25000000000000 0.04404470666225 138.905 18 La 0.73584279913179 0.75000000000000 0.95595529333775 138.905 19 La 0.76415720086821 0.25000000000000 0.45595529333775 138.905 20 La 0.23584279913179 0.75000000000000 0.54404470666225 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.972446439999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.345930539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.637444860000000 Atomic positions (fractional): 1 S 0.43547448601908 0.08333333333333 0.06721416620158 32.065 > 1 2 S 0.93547448601908 0.08333333333333 0.06721416620158 32.065 > 1 3 S 0.43547448601908 0.41666666666667 0.06721416620158 32.065 > 1 4 S 0.93547448601908 0.41666666666667 0.06721416620158 32.065 > 1 5 S 0.43547448601908 0.75000000000000 0.06721416620158 32.065 > 1 6 S 0.93547448601908 0.75000000000000 0.06721416620158 32.065 > 1 7 S 0.06452551398092 0.25000000000000 0.93278583379842 32.065 > 7 8 S 0.56452551398092 0.25000000000000 0.93278583379842 32.065 > 7 9 S 0.06452551398092 0.58333333333333 0.93278583379842 32.065 > 7 10 S 0.56452551398092 0.58333333333333 0.93278583379842 32.065 > 7 11 S 0.06452551398092 0.91666666666667 0.93278583379842 32.065 > 7 12 S 0.56452551398092 0.91666666666667 0.93278583379842 32.065 > 7 13 S 0.18547448601908 0.08333333333333 0.43278583379842 32.065 > 13 14 S 0.68547448601908 0.08333333333333 0.43278583379842 32.065 > 13 15 S 0.18547448601908 0.41666666666667 0.43278583379842 32.065 > 13 16 S 0.68547448601908 0.41666666666667 0.43278583379842 32.065 > 13 17 S 0.18547448601908 0.75000000000000 0.43278583379842 32.065 > 13 18 S 0.68547448601908 0.75000000000000 0.43278583379842 32.065 > 13 19 S 0.31452551398092 0.25000000000000 0.56721416620158 32.065 > 19 20 S 0.81452551398092 0.25000000000000 0.56721416620158 32.065 > 19 21 S 0.31452551398092 0.58333333333333 0.56721416620158 32.065 > 19 22 S 0.81452551398092 0.58333333333333 0.56721416620158 32.065 > 19 23 S 0.31452551398092 0.91666666666667 0.56721416620158 32.065 > 19 24 S 0.81452551398092 0.91666666666667 0.56721416620158 32.065 > 19 25 S 0.32240337381477 0.08333333333333 0.27999876889067 32.065 > 25 26 S 0.82240337381477 0.08333333333333 0.27999876889067 32.065 > 25 27 S 0.32240337381477 0.41666666666667 0.27999876889067 32.065 > 25 28 S 0.82240337381477 0.41666666666667 0.27999876889067 32.065 > 25 29 S 0.32240337381477 0.75000000000000 0.27999876889067 32.065 > 25 30 S 0.82240337381477 0.75000000000000 0.27999876889067 32.065 > 25 31 S 0.17759662618523 0.25000000000000 0.72000123110933 32.065 > 31 32 S 0.67759662618523 0.25000000000000 0.72000123110933 32.065 > 31 33 S 0.17759662618523 0.58333333333333 0.72000123110933 32.065 > 31 34 S 0.67759662618523 0.58333333333333 0.72000123110933 32.065 > 31 35 S 0.17759662618523 0.91666666666667 0.72000123110933 32.065 > 31 36 S 0.67759662618523 0.91666666666667 0.72000123110933 32.065 > 31 37 S 0.07240337381477 0.08333333333333 0.22000123110933 32.065 > 37 38 S 0.57240337381477 0.08333333333333 0.22000123110933 32.065 > 37 39 S 0.07240337381477 0.41666666666667 0.22000123110933 32.065 > 37 40 S 0.57240337381477 0.41666666666667 0.22000123110933 32.065 > 37 41 S 0.07240337381477 0.75000000000000 0.22000123110933 32.065 > 37 42 S 0.57240337381477 0.75000000000000 0.22000123110933 32.065 > 37 43 S 0.42759662618523 0.25000000000000 0.77999876889067 32.065 > 43 44 S 0.92759662618523 0.25000000000000 0.77999876889067 32.065 > 43 45 S 0.42759662618523 0.58333333333333 0.77999876889067 32.065 > 43 46 S 0.92759662618523 0.58333333333333 0.77999876889067 32.065 > 43 47 S 0.42759662618523 0.91666666666667 0.77999876889067 32.065 > 43 48 S 0.92759662618523 0.91666666666667 0.77999876889067 32.065 > 43 49 S 0.49576742915417 0.25000000000000 0.38971247531662 32.065 > 49 50 S 0.99576742915417 0.25000000000000 0.38971247531662 32.065 > 49 51 S 0.49576742915417 0.58333333333333 0.38971247531662 32.065 > 49 52 S 0.99576742915417 0.58333333333333 0.38971247531662 32.065 > 49 53 S 0.49576742915417 0.91666666666667 0.38971247531662 32.065 > 49 54 S 0.99576742915417 0.91666666666667 0.38971247531662 32.065 > 49 55 S 0.00423257084583 0.08333333333333 0.61028752468338 32.065 > 55 56 S 0.50423257084583 0.08333333333333 0.61028752468338 32.065 > 55 57 S 0.00423257084583 0.41666666666667 0.61028752468338 32.065 > 55 58 S 0.50423257084583 0.41666666666667 0.61028752468338 32.065 > 55 59 S 0.00423257084583 0.75000000000000 0.61028752468338 32.065 > 55 60 S 0.50423257084583 0.75000000000000 0.61028752468338 32.065 > 55 61 S 0.24576742915417 0.25000000000000 0.11028752468338 32.065 > 61 62 S 0.74576742915417 0.25000000000000 0.11028752468338 32.065 > 61 63 S 0.24576742915417 0.58333333333333 0.11028752468338 32.065 > 61 64 S 0.74576742915417 0.58333333333333 0.11028752468338 32.065 > 61 65 S 0.24576742915417 0.91666666666667 0.11028752468338 32.065 > 61 66 S 0.74576742915417 0.91666666666667 0.11028752468338 32.065 > 61 67 S 0.25423257084583 0.08333333333333 0.88971247531662 32.065 > 67 68 S 0.75423257084583 0.08333333333333 0.88971247531662 32.065 > 67 69 S 0.25423257084583 0.41666666666667 0.88971247531662 32.065 > 67 70 S 0.75423257084583 0.41666666666667 0.88971247531662 32.065 > 67 71 S 0.25423257084583 0.75000000000000 0.88971247531662 32.065 > 67 72 S 0.75423257084583 0.75000000000000 0.88971247531662 32.065 > 67 73 La 0.32222142828120 0.08333333333333 0.70480375564299 138.905 > 73 74 La 0.82222142828120 0.08333333333333 0.70480375564299 138.905 > 73 75 La 0.32222142828120 0.41666666666667 0.70480375564299 138.905 > 73 76 La 0.82222142828120 0.41666666666667 0.70480375564299 138.905 > 73 77 La 0.32222142828120 0.75000000000000 0.70480375564299 138.905 > 73 78 La 0.82222142828120 0.75000000000000 0.70480375564299 138.905 > 73 79 La 0.17777857171880 0.25000000000000 0.29519624435701 138.905 > 79 80 La 0.67777857171880 0.25000000000000 0.29519624435701 138.905 > 79 81 La 0.17777857171880 0.58333333333333 0.29519624435701 138.905 > 79 82 La 0.67777857171880 0.58333333333333 0.29519624435701 138.905 > 79 83 La 0.17777857171880 0.91666666666667 0.29519624435701 138.905 > 79 84 La 0.67777857171880 0.91666666666667 0.29519624435701 138.905 > 79 85 La 0.07222142828120 0.08333333333333 0.79519624435701 138.905 > 85 86 La 0.57222142828120 0.08333333333333 0.79519624435701 138.905 > 85 87 La 0.07222142828120 0.41666666666667 0.79519624435701 138.905 > 85 88 La 0.57222142828120 0.41666666666667 0.79519624435701 138.905 > 85 89 La 0.07222142828120 0.75000000000000 0.79519624435701 138.905 > 85 90 La 0.57222142828120 0.75000000000000 0.79519624435701 138.905 > 85 91 La 0.42777857171880 0.25000000000000 0.20480375564299 138.905 > 91 92 La 0.92777857171880 0.25000000000000 0.20480375564299 138.905 > 91 93 La 0.42777857171880 0.58333333333333 0.20480375564299 138.905 > 91 94 La 0.92777857171880 0.58333333333333 0.20480375564299 138.905 > 91 95 La 0.42777857171880 0.91666666666667 0.20480375564299 138.905 > 91 96 La 0.92777857171880 0.91666666666667 0.20480375564299 138.905 > 91 97 La 0.13207860043411 0.08333333333333 0.04404470666225 138.905 > 97 98 La 0.63207860043411 0.08333333333333 0.04404470666225 138.905 > 97 99 La 0.13207860043411 0.41666666666667 0.04404470666225 138.905 > 97 100 La 0.63207860043411 0.41666666666667 0.04404470666225 138.905 > 97 101 La 0.13207860043411 0.75000000000000 0.04404470666225 138.905 > 97 102 La 0.63207860043411 0.75000000000000 0.04404470666225 138.905 > 97 103 La 0.36792139956589 0.25000000000000 0.95595529333775 138.905 > 103 104 La 0.86792139956589 0.25000000000000 0.95595529333775 138.905 > 103 105 La 0.36792139956589 0.58333333333333 0.95595529333775 138.905 > 103 106 La 0.86792139956589 0.58333333333333 0.95595529333775 138.905 > 103 107 La 0.36792139956589 0.91666666666667 0.95595529333775 138.905 > 103 108 La 0.86792139956589 0.91666666666667 0.95595529333775 138.905 > 103 109 La 0.38207860043411 0.08333333333333 0.45595529333775 138.905 > 109 110 La 0.88207860043411 0.08333333333333 0.45595529333775 138.905 > 109 111 La 0.38207860043411 0.41666666666667 0.45595529333775 138.905 > 109 112 La 0.88207860043411 0.41666666666667 0.45595529333775 138.905 > 109 113 La 0.38207860043411 0.75000000000000 0.45595529333775 138.905 > 109 114 La 0.88207860043411 0.75000000000000 0.45595529333775 138.905 > 109 115 La 0.11792139956589 0.25000000000000 0.54404470666225 138.905 > 115 116 La 0.61792139956589 0.25000000000000 0.54404470666225 138.905 > 115 117 La 0.11792139956589 0.58333333333333 0.54404470666225 138.905 > 115 118 La 0.61792139956589 0.58333333333333 0.54404470666225 138.905 > 115 119 La 0.11792139956589 0.91666666666667 0.54404470666225 138.905 > 115 120 La 0.61792139956589 0.91666666666667 0.54404470666225 138.905 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.9318944 0.0000000 0.0000000 0.0000000 8.0165483 0.0000000 0.0000000 0.0000000 8.4559130 -------------------------- Born effective charges -------------------------- 1 S -2.1925022 0.0000000 -0.2546208 0.0000000 -3.1825419 0.0000000 -0.3552959 0.0000000 -2.9856202 2 S -2.1925022 0.0000000 -0.2546208 0.0000000 -3.1825419 0.0000000 -0.3552959 0.0000000 -2.9856202 3 S -2.1925022 0.0000000 0.2546208 0.0000000 -3.1825419 0.0000000 0.3552959 0.0000000 -2.9856202 4 S -2.1925022 0.0000000 0.2546208 0.0000000 -3.1825419 0.0000000 0.3552959 0.0000000 -2.9856202 5 S -2.6828816 0.0000000 0.3214975 0.0000000 -3.2600657 0.0000000 0.3932730 0.0000000 -2.2985375 6 S -2.6828816 0.0000000 0.3214975 0.0000000 -3.2600657 0.0000000 0.3932730 0.0000000 -2.2985375 7 S -2.6828816 0.0000000 -0.3214975 0.0000000 -3.2600657 0.0000000 -0.3932730 0.0000000 -2.2985375 8 S -2.6828816 0.0000000 -0.3214975 0.0000000 -3.2600657 0.0000000 -0.3932730 0.0000000 -2.2985375 9 S -2.9831125 0.0000000 -0.0052832 0.0000000 -2.2711221 0.0000000 0.3504678 0.0000000 -3.0294817 10 S -2.9831125 0.0000000 -0.0052832 0.0000000 -2.2711221 0.0000000 0.3504678 0.0000000 -3.0294817 11 S -2.9831125 0.0000000 0.0052832 0.0000000 -2.2711221 0.0000000 -0.3504678 0.0000000 -3.0294817 12 S -2.9831125 0.0000000 0.0052832 0.0000000 -2.2711221 0.0000000 -0.3504678 0.0000000 -3.0294817 13 La 3.8517350 0.0000000 -0.0246825 0.0000000 4.7058658 0.0000000 -0.1499528 0.0000000 4.0880651 14 La 3.8517350 0.0000000 -0.0246825 0.0000000 4.7058658 0.0000000 -0.1499528 0.0000000 4.0880651 15 La 3.8517350 0.0000000 0.0246825 0.0000000 4.7058658 0.0000000 0.1499528 0.0000000 4.0880651 16 La 3.8517350 0.0000000 0.0246825 0.0000000 4.7058658 0.0000000 0.1499528 0.0000000 4.0880651 17 La 4.0067612 0.0000000 -0.0296242 0.0000000 4.0078639 0.0000000 0.2796470 0.0000000 4.2255743 18 La 4.0067612 0.0000000 -0.0296242 0.0000000 4.0078639 0.0000000 0.2796470 0.0000000 4.2255743 19 La 4.0067612 0.0000000 0.0296242 0.0000000 4.0078639 0.0000000 -0.2796470 0.0000000 4.2255743 20 La 4.0067612 0.0000000 0.0296242 0.0000000 4.0078639 0.0000000 -0.2796470 0.0000000 4.2255743 ---------------------------------------------------------------------------- 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 22:23:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:23:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.486223219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.115310180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.637444860000000 Atomic positions (fractional): 1 S 0.87094897203815 0.25000000000000 0.06721416620158 32.065 2 S 0.12905102796185 0.75000000000000 0.93278583379842 32.065 3 S 0.37094897203815 0.25000000000000 0.43278583379842 32.065 4 S 0.62905102796185 0.75000000000000 0.56721416620158 32.065 5 S 0.64480674762954 0.25000000000000 0.27999876889067 32.065 6 S 0.35519325237046 0.75000000000000 0.72000123110933 32.065 7 S 0.14480674762954 0.25000000000000 0.22000123110933 32.065 8 S 0.85519325237046 0.75000000000000 0.77999876889067 32.065 9 S 0.99153485830833 0.75000000000000 0.38971247531662 32.065 10 S 0.00846514169167 0.25000000000000 0.61028752468338 32.065 11 S 0.49153485830833 0.75000000000000 0.11028752468338 32.065 12 S 0.50846514169167 0.25000000000000 0.88971247531662 32.065 13 La 0.64444285656240 0.25000000000000 0.70480375564299 138.905 14 La 0.35555714343760 0.75000000000000 0.29519624435701 138.905 15 La 0.14444285656240 0.25000000000000 0.79519624435701 138.905 16 La 0.85555714343760 0.75000000000000 0.20480375564299 138.905 17 La 0.26415720086821 0.25000000000000 0.04404470666225 138.905 18 La 0.73584279913179 0.75000000000000 0.95595529333775 138.905 19 La 0.76415720086821 0.25000000000000 0.45595529333775 138.905 20 La 0.23584279913179 0.75000000000000 0.54404470666225 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.972446439999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.345930539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.637444860000000 Atomic positions (fractional): 1 S 0.43547448601908 0.08333333333333 0.06721416620158 32.065 > 1 2 S 0.93547448601908 0.08333333333333 0.06721416620158 32.065 > 1 3 S 0.43547448601908 0.41666666666667 0.06721416620158 32.065 > 1 4 S 0.93547448601908 0.41666666666667 0.06721416620158 32.065 > 1 5 S 0.43547448601908 0.75000000000000 0.06721416620158 32.065 > 1 6 S 0.93547448601908 0.75000000000000 0.06721416620158 32.065 > 1 7 S 0.06452551398092 0.25000000000000 0.93278583379842 32.065 > 7 8 S 0.56452551398092 0.25000000000000 0.93278583379842 32.065 > 7 9 S 0.06452551398092 0.58333333333333 0.93278583379842 32.065 > 7 10 S 0.56452551398092 0.58333333333333 0.93278583379842 32.065 > 7 11 S 0.06452551398092 0.91666666666667 0.93278583379842 32.065 > 7 12 S 0.56452551398092 0.91666666666667 0.93278583379842 32.065 > 7 13 S 0.18547448601908 0.08333333333333 0.43278583379842 32.065 > 13 14 S 0.68547448601908 0.08333333333333 0.43278583379842 32.065 > 13 15 S 0.18547448601908 0.41666666666667 0.43278583379842 32.065 > 13 16 S 0.68547448601908 0.41666666666667 0.43278583379842 32.065 > 13 17 S 0.18547448601908 0.75000000000000 0.43278583379842 32.065 > 13 18 S 0.68547448601908 0.75000000000000 0.43278583379842 32.065 > 13 19 S 0.31452551398092 0.25000000000000 0.56721416620158 32.065 > 19 20 S 0.81452551398092 0.25000000000000 0.56721416620158 32.065 > 19 21 S 0.31452551398092 0.58333333333333 0.56721416620158 32.065 > 19 22 S 0.81452551398092 0.58333333333333 0.56721416620158 32.065 > 19 23 S 0.31452551398092 0.91666666666667 0.56721416620158 32.065 > 19 24 S 0.81452551398092 0.91666666666667 0.56721416620158 32.065 > 19 25 S 0.32240337381477 0.08333333333333 0.27999876889067 32.065 > 25 26 S 0.82240337381477 0.08333333333333 0.27999876889067 32.065 > 25 27 S 0.32240337381477 0.41666666666667 0.27999876889067 32.065 > 25 28 S 0.82240337381477 0.41666666666667 0.27999876889067 32.065 > 25 29 S 0.32240337381477 0.75000000000000 0.27999876889067 32.065 > 25 30 S 0.82240337381477 0.75000000000000 0.27999876889067 32.065 > 25 31 S 0.17759662618523 0.25000000000000 0.72000123110933 32.065 > 31 32 S 0.67759662618523 0.25000000000000 0.72000123110933 32.065 > 31 33 S 0.17759662618523 0.58333333333333 0.72000123110933 32.065 > 31 34 S 0.67759662618523 0.58333333333333 0.72000123110933 32.065 > 31 35 S 0.17759662618523 0.91666666666667 0.72000123110933 32.065 > 31 36 S 0.67759662618523 0.91666666666667 0.72000123110933 32.065 > 31 37 S 0.07240337381477 0.08333333333333 0.22000123110933 32.065 > 37 38 S 0.57240337381477 0.08333333333333 0.22000123110933 32.065 > 37 39 S 0.07240337381477 0.41666666666667 0.22000123110933 32.065 > 37 40 S 0.57240337381477 0.41666666666667 0.22000123110933 32.065 > 37 41 S 0.07240337381477 0.75000000000000 0.22000123110933 32.065 > 37 42 S 0.57240337381477 0.75000000000000 0.22000123110933 32.065 > 37 43 S 0.42759662618523 0.25000000000000 0.77999876889067 32.065 > 43 44 S 0.92759662618523 0.25000000000000 0.77999876889067 32.065 > 43 45 S 0.42759662618523 0.58333333333333 0.77999876889067 32.065 > 43 46 S 0.92759662618523 0.58333333333333 0.77999876889067 32.065 > 43 47 S 0.42759662618523 0.91666666666667 0.77999876889067 32.065 > 43 48 S 0.92759662618523 0.91666666666667 0.77999876889067 32.065 > 43 49 S 0.49576742915417 0.25000000000000 0.38971247531662 32.065 > 49 50 S 0.99576742915417 0.25000000000000 0.38971247531662 32.065 > 49 51 S 0.49576742915417 0.58333333333333 0.38971247531662 32.065 > 49 52 S 0.99576742915417 0.58333333333333 0.38971247531662 32.065 > 49 53 S 0.49576742915417 0.91666666666667 0.38971247531662 32.065 > 49 54 S 0.99576742915417 0.91666666666667 0.38971247531662 32.065 > 49 55 S 0.00423257084583 0.08333333333333 0.61028752468338 32.065 > 55 56 S 0.50423257084583 0.08333333333333 0.61028752468338 32.065 > 55 57 S 0.00423257084583 0.41666666666667 0.61028752468338 32.065 > 55 58 S 0.50423257084583 0.41666666666667 0.61028752468338 32.065 > 55 59 S 0.00423257084583 0.75000000000000 0.61028752468338 32.065 > 55 60 S 0.50423257084583 0.75000000000000 0.61028752468338 32.065 > 55 61 S 0.24576742915417 0.25000000000000 0.11028752468338 32.065 > 61 62 S 0.74576742915417 0.25000000000000 0.11028752468338 32.065 > 61 63 S 0.24576742915417 0.58333333333333 0.11028752468338 32.065 > 61 64 S 0.74576742915417 0.58333333333333 0.11028752468338 32.065 > 61 65 S 0.24576742915417 0.91666666666667 0.11028752468338 32.065 > 61 66 S 0.74576742915417 0.91666666666667 0.11028752468338 32.065 > 61 67 S 0.25423257084583 0.08333333333333 0.88971247531662 32.065 > 67 68 S 0.75423257084583 0.08333333333333 0.88971247531662 32.065 > 67 69 S 0.25423257084583 0.41666666666667 0.88971247531662 32.065 > 67 70 S 0.75423257084583 0.41666666666667 0.88971247531662 32.065 > 67 71 S 0.25423257084583 0.75000000000000 0.88971247531662 32.065 > 67 72 S 0.75423257084583 0.75000000000000 0.88971247531662 32.065 > 67 73 La 0.32222142828120 0.08333333333333 0.70480375564299 138.905 > 73 74 La 0.82222142828120 0.08333333333333 0.70480375564299 138.905 > 73 75 La 0.32222142828120 0.41666666666667 0.70480375564299 138.905 > 73 76 La 0.82222142828120 0.41666666666667 0.70480375564299 138.905 > 73 77 La 0.32222142828120 0.75000000000000 0.70480375564299 138.905 > 73 78 La 0.82222142828120 0.75000000000000 0.70480375564299 138.905 > 73 79 La 0.17777857171880 0.25000000000000 0.29519624435701 138.905 > 79 80 La 0.67777857171880 0.25000000000000 0.29519624435701 138.905 > 79 81 La 0.17777857171880 0.58333333333333 0.29519624435701 138.905 > 79 82 La 0.67777857171880 0.58333333333333 0.29519624435701 138.905 > 79 83 La 0.17777857171880 0.91666666666667 0.29519624435701 138.905 > 79 84 La 0.67777857171880 0.91666666666667 0.29519624435701 138.905 > 79 85 La 0.07222142828120 0.08333333333333 0.79519624435701 138.905 > 85 86 La 0.57222142828120 0.08333333333333 0.79519624435701 138.905 > 85 87 La 0.07222142828120 0.41666666666667 0.79519624435701 138.905 > 85 88 La 0.57222142828120 0.41666666666667 0.79519624435701 138.905 > 85 89 La 0.07222142828120 0.75000000000000 0.79519624435701 138.905 > 85 90 La 0.57222142828120 0.75000000000000 0.79519624435701 138.905 > 85 91 La 0.42777857171880 0.25000000000000 0.20480375564299 138.905 > 91 92 La 0.92777857171880 0.25000000000000 0.20480375564299 138.905 > 91 93 La 0.42777857171880 0.58333333333333 0.20480375564299 138.905 > 91 94 La 0.92777857171880 0.58333333333333 0.20480375564299 138.905 > 91 95 La 0.42777857171880 0.91666666666667 0.20480375564299 138.905 > 91 96 La 0.92777857171880 0.91666666666667 0.20480375564299 138.905 > 91 97 La 0.13207860043411 0.08333333333333 0.04404470666225 138.905 > 97 98 La 0.63207860043411 0.08333333333333 0.04404470666225 138.905 > 97 99 La 0.13207860043411 0.41666666666667 0.04404470666225 138.905 > 97 100 La 0.63207860043411 0.41666666666667 0.04404470666225 138.905 > 97 101 La 0.13207860043411 0.75000000000000 0.04404470666225 138.905 > 97 102 La 0.63207860043411 0.75000000000000 0.04404470666225 138.905 > 97 103 La 0.36792139956589 0.25000000000000 0.95595529333775 138.905 > 103 104 La 0.86792139956589 0.25000000000000 0.95595529333775 138.905 > 103 105 La 0.36792139956589 0.58333333333333 0.95595529333775 138.905 > 103 106 La 0.86792139956589 0.58333333333333 0.95595529333775 138.905 > 103 107 La 0.36792139956589 0.91666666666667 0.95595529333775 138.905 > 103 108 La 0.86792139956589 0.91666666666667 0.95595529333775 138.905 > 103 109 La 0.38207860043411 0.08333333333333 0.45595529333775 138.905 > 109 110 La 0.88207860043411 0.08333333333333 0.45595529333775 138.905 > 109 111 La 0.38207860043411 0.41666666666667 0.45595529333775 138.905 > 109 112 La 0.88207860043411 0.41666666666667 0.45595529333775 138.905 > 109 113 La 0.38207860043411 0.75000000000000 0.45595529333775 138.905 > 109 114 La 0.88207860043411 0.75000000000000 0.45595529333775 138.905 > 109 115 La 0.11792139956589 0.25000000000000 0.54404470666225 138.905 > 115 116 La 0.61792139956589 0.25000000000000 0.54404470666225 138.905 > 115 117 La 0.11792139956589 0.58333333333333 0.54404470666225 138.905 > 115 118 La 0.61792139956589 0.58333333333333 0.54404470666225 138.905 > 115 119 La 0.11792139956589 0.91666666666667 0.54404470666225 138.905 > 115 120 La 0.61792139956589 0.91666666666667 0.54404470666225 138.905 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.9318944 0.0000000 0.0000000 0.0000000 8.0165483 0.0000000 0.0000000 0.0000000 8.4559130 -------------------------- Born effective charges -------------------------- 1 S -2.1925022 0.0000000 -0.2546208 0.0000000 -3.1825419 0.0000000 -0.3552959 0.0000000 -2.9856202 2 S -2.1925022 0.0000000 -0.2546208 0.0000000 -3.1825419 0.0000000 -0.3552959 0.0000000 -2.9856202 3 S -2.1925022 0.0000000 0.2546208 0.0000000 -3.1825419 0.0000000 0.3552959 0.0000000 -2.9856202 4 S -2.1925022 0.0000000 0.2546208 0.0000000 -3.1825419 0.0000000 0.3552959 0.0000000 -2.9856202 5 S -2.6828816 0.0000000 0.3214975 0.0000000 -3.2600657 0.0000000 0.3932730 0.0000000 -2.2985375 6 S -2.6828816 0.0000000 0.3214975 0.0000000 -3.2600657 0.0000000 0.3932730 0.0000000 -2.2985375 7 S -2.6828816 0.0000000 -0.3214975 0.0000000 -3.2600657 0.0000000 -0.3932730 0.0000000 -2.2985375 8 S -2.6828816 0.0000000 -0.3214975 0.0000000 -3.2600657 0.0000000 -0.3932730 0.0000000 -2.2985375 9 S -2.9831125 0.0000000 -0.0052832 0.0000000 -2.2711221 0.0000000 0.3504678 0.0000000 -3.0294817 10 S -2.9831125 0.0000000 -0.0052832 0.0000000 -2.2711221 0.0000000 0.3504678 0.0000000 -3.0294817 11 S -2.9831125 0.0000000 0.0052832 0.0000000 -2.2711221 0.0000000 -0.3504678 0.0000000 -3.0294817 12 S -2.9831125 0.0000000 0.0052832 0.0000000 -2.2711221 0.0000000 -0.3504678 0.0000000 -3.0294817 13 La 3.8517350 0.0000000 -0.0246825 0.0000000 4.7058658 0.0000000 -0.1499528 0.0000000 4.0880651 14 La 3.8517350 0.0000000 -0.0246825 0.0000000 4.7058658 0.0000000 -0.1499528 0.0000000 4.0880651 15 La 3.8517350 0.0000000 0.0246825 0.0000000 4.7058658 0.0000000 0.1499528 0.0000000 4.0880651 16 La 3.8517350 0.0000000 0.0246825 0.0000000 4.7058658 0.0000000 0.1499528 0.0000000 4.0880651 17 La 4.0067612 0.0000000 -0.0296242 0.0000000 4.0078639 0.0000000 0.2796470 0.0000000 4.2255743 18 La 4.0067612 0.0000000 -0.0296242 0.0000000 4.0078639 0.0000000 0.2796470 0.0000000 4.2255743 19 La 4.0067612 0.0000000 0.0296242 0.0000000 4.0078639 0.0000000 -0.2796470 0.0000000 4.2255743 20 La 4.0067612 0.0000000 0.0296242 0.0000000 4.0078639 0.0000000 -0.2796470 0.0000000 4.2255743 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 12 3 ] 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: 0.53, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 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 1.544 ( 0.000 0.000 0.000) 0.000 1.558 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.677 ( 0.000 0.000 0.000) 0.000 2.307 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.410 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.745 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.771 ( 0.000 0.000 0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.389 ( 0.000 0.000 0.000) 0.000 4.603 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.186 ( 0.000 0.000 0.000) 0.000 5.186 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.335 ( 0.000 0.000 0.000) 0.000 5.507 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.684 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.741 ( 0.000 0.000 0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 6.016 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.247 ( 0.000 0.000 0.000) 0.000 6.330 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.530 ( 0.000 0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 6.732 ( 0.000 0.000 0.000) 0.000 6.813 ( 0.000 0.000 0.000) 0.000 6.821 ( 0.000 0.000 0.000) 0.000 6.861 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.890 ( 0.000 0.000 0.000) 0.000 8.036 ( 0.000 0.000 0.000) 0.000 8.152 ( 0.000 0.000 0.000) 0.000 8.201 ( 0.000 0.000 0.000) 0.000 8.467 ( 0.000 0.000 0.000) 0.000 8.880 ( 0.000 0.000 0.000) 0.000 9.097 ( 0.000 0.000 0.000) 0.000 9.128 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.14 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 26.196 0.000 0.000) 26.196 0.555 ( 28.589 0.000 0.000) 28.589 0.868 ( 44.563 0.000 0.000) 44.563 1.580 ( 4.258 0.000 0.000) 4.258 1.631 ( 7.258 0.000 0.000) 7.258 1.690 ( 3.673 0.000 0.000) 3.673 1.751 ( 7.425 0.000 0.000) 7.425 2.202 ( -7.745 0.000 0.000) 7.745 2.428 ( -5.914 0.000 0.000) 5.914 2.436 ( 2.642 0.000 0.000) 2.642 2.560 ( -3.222 0.000 0.000) 3.222 2.565 ( 8.802 0.000 0.000) 8.802 2.692 ( -5.732 0.000 0.000) 5.732 2.727 ( -4.249 0.000 0.000) 4.249 2.806 ( -1.552 0.000 0.000) 1.552 2.878 ( -1.091 0.000 0.000) 1.091 2.999 ( 9.873 0.000 0.000) 9.873 3.318 ( -4.729 0.000 0.000) 4.729 3.671 ( -9.340 0.000 0.000) 9.340 3.694 ( 8.905 0.000 0.000) 8.905 3.999 ( -6.562 0.000 0.000) 6.562 4.396 ( 0.334 0.000 0.000) 0.334 4.552 ( -7.202 0.000 0.000) 7.202 4.573 ( -3.955 0.000 0.000) 3.955 4.986 ( -13.183 0.000 0.000) 13.183 4.999 ( -2.121 0.000 0.000) 2.121 5.116 ( -11.484 0.000 0.000) 11.484 5.331 ( -4.691 0.000 0.000) 4.691 5.419 ( 4.198 0.000 0.000) 4.198 5.573 ( 5.233 0.000 0.000) 5.233 5.673 ( -0.695 0.000 0.000) 0.695 5.684 ( -2.347 0.000 0.000) 2.347 5.718 ( -2.132 0.000 0.000) 2.132 5.829 ( -1.970 0.000 0.000) 1.970 5.896 ( -2.740 0.000 0.000) 2.740 5.915 ( 4.744 0.000 0.000) 4.744 6.057 ( 3.782 0.000 0.000) 3.782 6.177 ( 5.963 0.000 0.000) 5.963 6.192 ( -2.591 0.000 0.000) 2.591 6.244 ( 4.441 0.000 0.000) 4.441 6.322 ( -0.718 0.000 0.000) 0.718 6.387 ( 0.585 0.000 0.000) 0.585 6.483 ( -0.986 0.000 0.000) 0.986 6.540 ( 0.709 0.000 0.000) 0.709 6.591 ( -4.930 0.000 0.000) 4.930 6.602 ( -0.635 0.000 0.000) 0.635 6.825 ( 1.211 0.000 0.000) 1.211 6.833 ( 1.875 0.000 0.000) 1.875 6.873 ( 1.134 0.000 0.000) 1.134 6.887 ( 8.328 0.000 0.000) 8.328 6.917 ( 0.222 0.000 0.000) 0.222 7.661 ( -10.546 0.000 0.000) 10.546 7.897 ( 0.016 0.000 0.000) 0.016 7.969 ( -5.098 0.000 0.000) 5.098 8.163 ( 2.340 0.000 0.000) 2.340 8.171 ( -1.950 0.000 0.000) 1.950 8.943 ( 7.014 0.000 0.000) 7.014 9.092 ( -0.016 0.000 0.000) 0.016 9.157 ( 2.135 0.000 0.000) 2.135 9.159 ( -0.400 0.000 0.000) 0.400 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.29 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 22.892 0.000 0.000) 22.892 1.081 ( 26.328 0.000 0.000) 26.328 1.644 ( 30.111 0.000 0.000) 30.111 1.722 ( 11.469 0.000 0.000) 11.469 1.810 ( 10.583 0.000 0.000) 10.583 1.829 ( 11.094 0.000 0.000) 11.094 1.940 ( 11.771 0.000 0.000) 11.771 2.082 ( 0.135 0.000 0.000) 0.135 2.262 ( -11.207 0.000 0.000) 11.207 2.453 ( -5.520 0.000 0.000) 5.520 2.519 ( 3.378 0.000 0.000) 3.378 2.530 ( -10.923 0.000 0.000) 10.923 2.603 ( -3.450 0.000 0.000) 3.450 2.608 ( -8.102 0.000 0.000) 8.102 2.763 ( -2.950 0.000 0.000) 2.950 2.974 ( 5.042 0.000 0.000) 5.042 3.195 ( 6.091 0.000 0.000) 6.091 3.253 ( 3.902 0.000 0.000) 3.902 3.487 ( -5.917 0.000 0.000) 5.917 3.762 ( -18.723 0.000 0.000) 18.723 3.856 ( 6.131 0.000 0.000) 6.131 4.343 ( -14.086 0.000 0.000) 14.086 4.388 ( -1.108 0.000 0.000) 1.108 4.501 ( -3.591 0.000 0.000) 3.591 4.781 ( -7.490 0.000 0.000) 7.490 4.844 ( -10.630 0.000 0.000) 10.630 5.017 ( -0.732 0.000 0.000) 0.732 5.205 ( -7.239 0.000 0.000) 7.239 5.502 ( 4.709 0.000 0.000) 4.709 5.633 ( -2.069 0.000 0.000) 2.069 5.645 ( 2.086 0.000 0.000) 2.086 5.669 ( -0.099 0.000 0.000) 0.099 5.670 ( -2.622 0.000 0.000) 2.622 5.776 ( -3.317 0.000 0.000) 3.317 5.842 ( -2.209 0.000 0.000) 2.209 5.954 ( -2.395 0.000 0.000) 2.395 6.139 ( 4.439 0.000 0.000) 4.439 6.172 ( 2.823 0.000 0.000) 2.823 6.304 ( 5.537 0.000 0.000) 5.537 6.305 ( -1.163 0.000 0.000) 1.163 6.372 ( 7.544 0.000 0.000) 7.544 6.402 ( 0.984 0.000 0.000) 0.984 6.463 ( -1.074 0.000 0.000) 1.074 6.519 ( -2.240 0.000 0.000) 2.240 6.553 ( 0.644 0.000 0.000) 0.644 6.588 ( -0.721 0.000 0.000) 0.721 6.857 ( 2.545 0.000 0.000) 2.545 6.873 ( 2.056 0.000 0.000) 2.056 6.897 ( 1.164 0.000 0.000) 1.164 6.919 ( 0.176 0.000 0.000) 0.176 7.006 ( 3.175 0.000 0.000) 3.175 7.389 ( -15.721 0.000 0.000) 15.721 7.870 ( -2.247 0.000 0.000) 2.247 7.902 ( -2.250 0.000 0.000) 2.250 8.172 ( 2.102 0.000 0.000) 2.102 8.219 ( 2.733 0.000 0.000) 2.733 9.062 ( 4.812 0.000 0.000) 4.812 9.098 ( 0.537 0.000 0.000) 0.537 9.150 ( -0.351 0.000 0.000) 0.351 9.188 ( 0.828 0.000 0.000) 0.828 ======================= Grid point 3 (4/56) ======================= q-point: ( 0.43 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 18.598 0.000 0.000) 18.598 1.549 ( 22.336 0.000 0.000) 22.336 1.686 ( -12.343 0.000 0.000) 12.343 1.899 ( -10.589 0.000 0.000) 10.589 1.977 ( 13.701 0.000 0.000) 13.701 2.081 ( 12.293 0.000 0.000) 12.293 2.113 ( 4.450 0.000 0.000) 4.450 2.170 ( 10.466 0.000 0.000) 10.466 2.300 ( -10.890 0.000 0.000) 10.890 2.309 ( -7.264 0.000 0.000) 7.264 2.367 ( -1.659 0.000 0.000) 1.659 2.424 ( -10.905 0.000 0.000) 10.905 2.606 ( 4.882 0.000 0.000) 4.882 2.644 ( 25.486 0.000 0.000) 25.486 2.694 ( -4.183 0.000 0.000) 4.183 2.993 ( 3.080 0.000 0.000) 3.080 3.092 ( -11.807 0.000 0.000) 11.807 3.283 ( -28.027 0.000 0.000) 28.027 3.504 ( 15.224 0.000 0.000) 15.224 3.578 ( 6.837 0.000 0.000) 6.837 3.897 ( -0.254 0.000 0.000) 0.254 4.042 ( -15.667 0.000 0.000) 15.667 4.384 ( 1.384 0.000 0.000) 1.384 4.435 ( -3.401 0.000 0.000) 3.401 4.698 ( -1.755 0.000 0.000) 1.755 4.708 ( -3.298 0.000 0.000) 3.298 5.023 ( 1.504 0.000 0.000) 1.504 5.084 ( -4.979 0.000 0.000) 4.979 5.596 ( 4.649 0.000 0.000) 4.649 5.611 ( -0.142 0.000 0.000) 0.142 5.627 ( -1.708 0.000 0.000) 1.708 5.655 ( -1.206 0.000 0.000) 1.206 5.678 ( 1.167 0.000 0.000) 1.167 5.716 ( -2.766 0.000 0.000) 2.766 5.825 ( 0.638 0.000 0.000) 0.638 5.873 ( -4.278 0.000 0.000) 4.278 6.218 ( 3.599 0.000 0.000) 3.599 6.258 ( 4.789 0.000 0.000) 4.789 6.274 ( -2.242 0.000 0.000) 2.242 6.331 ( -2.329 0.000 0.000) 2.329 6.422 ( 1.091 0.000 0.000) 1.091 6.443 ( -1.073 0.000 0.000) 1.073 6.493 ( 4.212 0.000 0.000) 4.212 6.519 ( 0.974 0.000 0.000) 0.974 6.564 ( 0.585 0.000 0.000) 0.585 6.576 ( -0.610 0.000 0.000) 0.610 6.904 ( 1.043 0.000 0.000) 1.043 6.911 ( 0.252 0.000 0.000) 0.252 6.938 ( 6.126 0.000 0.000) 6.126 6.939 ( 2.263 0.000 0.000) 2.263 7.003 ( -2.508 0.000 0.000) 2.508 7.119 ( -11.947 0.000 0.000) 11.947 7.846 ( 0.078 0.000 0.000) 0.078 7.866 ( -1.632 0.000 0.000) 1.632 8.223 ( 2.515 0.000 0.000) 2.515 8.249 ( 0.087 0.000 0.000) 0.087 9.109 ( 0.529 0.000 0.000) 0.529 9.113 ( 0.531 0.000 0.000) 0.531 9.159 ( 1.535 0.000 0.000) 1.535 9.187 ( -0.923 0.000 0.000) 0.923 ======================= Grid point 7 (5/56) ======================= 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 0.000 27.212 0.000) 27.212 0.595 ( 0.000 28.913 0.000) 28.913 1.030 ( 0.000 49.722 0.000) 49.722 1.630 ( 0.000 8.319 0.000) 8.319 1.635 ( 0.000 7.440 0.000) 7.440 1.707 ( 0.000 4.371 0.000) 4.371 1.749 ( 0.000 6.151 0.000) 6.151 2.299 ( 0.000 -2.396 0.000) 2.396 2.380 ( 0.000 6.093 0.000) 6.093 2.625 ( 0.000 12.989 0.000) 12.989 2.636 ( 0.000 12.520 0.000) 12.520 2.738 ( 0.000 14.080 0.000) 14.080 2.742 ( 0.000 0.022 0.000) 0.022 2.792 ( 0.000 2.078 0.000) 2.078 2.875 ( 0.000 5.318 0.000) 5.318 3.014 ( 0.000 9.584 0.000) 9.584 3.022 ( 0.000 11.792 0.000) 11.792 3.374 ( 0.000 2.230 0.000) 2.230 3.558 ( 0.000 -3.103 0.000) 3.103 3.744 ( 0.000 -2.567 0.000) 2.567 4.027 ( 0.000 -2.455 0.000) 2.455 4.328 ( 0.000 -5.990 0.000) 5.990 4.559 ( 0.000 -4.511 0.000) 4.511 4.568 ( 0.000 -6.445 0.000) 6.445 5.002 ( 0.000 -0.787 0.000) 0.787 5.078 ( 0.000 -7.907 0.000) 7.907 5.150 ( 0.000 -3.308 0.000) 3.308 5.256 ( 0.000 -2.622 0.000) 2.622 5.280 ( 0.000 -4.600 0.000) 4.600 5.416 ( 0.000 -6.392 0.000) 6.392 5.679 ( 0.000 -0.139 0.000) 0.139 5.721 ( 0.000 -5.007 0.000) 5.007 5.813 ( 0.000 -2.674 0.000) 2.674 5.863 ( 0.000 -1.563 0.000) 1.563 5.868 ( 0.000 10.130 0.000) 10.130 5.892 ( 0.000 3.553 0.000) 3.553 6.023 ( 0.000 3.834 0.000) 3.834 6.083 ( 0.000 -3.548 0.000) 3.548 6.106 ( 0.000 -6.599 0.000) 6.599 6.200 ( 0.000 1.795 0.000) 1.795 6.419 ( 0.000 7.060 0.000) 7.060 6.426 ( 0.000 7.363 0.000) 7.363 6.471 ( 0.000 7.843 0.000) 7.843 6.503 ( 0.000 -2.481 0.000) 2.481 6.511 ( 0.000 1.265 0.000) 1.265 6.716 ( 0.000 1.950 0.000) 1.950 6.724 ( 0.000 -0.459 0.000) 0.459 6.764 ( 0.000 -6.217 0.000) 6.217 6.817 ( 0.000 0.142 0.000) 0.142 6.838 ( 0.000 1.519 0.000) 1.519 7.057 ( 0.000 5.987 0.000) 5.987 7.896 ( 0.000 0.620 0.000) 0.620 8.033 ( 0.000 -0.716 0.000) 0.716 8.116 ( 0.000 -2.960 0.000) 2.960 8.163 ( 0.000 -3.526 0.000) 3.526 8.470 ( 0.000 0.243 0.000) 0.243 8.838 ( 0.000 -3.844 0.000) 3.844 9.035 ( 0.000 -5.958 0.000) 5.958 9.071 ( 0.000 -5.476 0.000) 5.476 9.288 ( 0.000 -2.199 0.000) 2.199 ======================= Grid point 8 (6/56) ======================= q-point: ( 0.14 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 14.820 18.945 0.000) 24.053 0.751 ( 16.999 19.365 0.000) 25.767 1.406 ( 29.989 37.953 0.000) 48.371 1.661 ( 3.663 7.854 0.000) 8.667 1.707 ( 6.916 6.941 0.000) 9.798 1.738 ( 4.099 4.901 0.000) 6.389 1.821 ( 7.037 5.924 0.000) 9.199 2.202 ( -6.728 0.611 0.000) 6.756 2.475 ( 5.966 3.758 0.000) 7.051 2.556 ( -7.150 11.428 0.000) 13.480 2.661 ( 1.341 8.131 0.000) 8.241 2.704 ( -4.368 1.196 0.000) 4.528 2.706 ( -3.481 13.834 0.000) 14.265 2.754 ( -4.228 2.381 0.000) 4.852 2.865 ( -1.089 5.878 0.000) 5.978 2.988 ( -0.063 10.948 0.000) 10.948 3.099 ( 7.657 9.765 0.000) 12.409 3.314 ( -4.608 0.376 0.000) 4.624 3.651 ( -8.570 -1.899 0.000) 8.778 3.681 ( 9.997 -0.789 0.000) 10.028 3.984 ( -5.530 -1.476 0.000) 5.724 4.332 ( 0.170 -6.285 0.000) 6.287 4.495 ( -6.702 -5.551 0.000) 8.702 4.535 ( -3.046 -3.930 0.000) 4.972 4.959 ( -11.429 -2.343 0.000) 11.667 4.988 ( -1.515 -0.882 0.000) 1.753 5.085 ( -11.089 -2.361 0.000) 11.337 5.140 ( 0.584 -11.180 0.000) 11.195 5.372 ( 4.269 -3.836 0.000) 5.740 5.496 ( 3.901 -4.357 0.000) 5.848 5.685 ( -3.138 -5.201 0.000) 6.074 5.711 ( 2.202 0.257 0.000) 2.217 5.776 ( -3.666 3.741 0.000) 5.238 5.840 ( -4.314 2.298 0.000) 4.888 5.872 ( 1.856 -1.464 0.000) 2.363 5.902 ( 2.448 0.977 0.000) 2.636 6.082 ( -2.413 -4.912 0.000) 5.472 6.088 ( 4.307 2.197 0.000) 4.835 6.118 ( 3.479 -4.011 0.000) 5.310 6.226 ( 3.937 0.869 0.000) 4.032 6.409 ( -1.952 4.695 0.000) 5.084 6.443 ( 0.724 5.044 0.000) 5.095 6.482 ( -2.012 0.471 0.000) 2.066 6.515 ( 0.924 -1.863 0.000) 2.080 6.542 ( 5.924 4.168 0.000) 7.243 6.629 ( -3.109 3.124 0.000) 4.407 6.782 ( 0.592 -1.695 0.000) 1.795 6.807 ( 3.803 -4.730 0.000) 6.069 6.853 ( 3.492 0.710 0.000) 3.563 6.928 ( 7.737 2.814 0.000) 8.233 7.036 ( -2.004 5.765 0.000) 6.103 7.838 ( -17.450 2.231 0.000) 17.592 7.891 ( -1.094 -0.526 0.000) 1.214 8.101 ( -3.824 -0.712 0.000) 3.890 8.145 ( -0.852 -2.351 0.000) 2.500 8.282 ( -9.058 12.446 0.000) 15.393 8.921 ( 6.730 -3.470 0.000) 7.572 9.031 ( -0.047 -5.921 0.000) 5.921 9.100 ( 2.166 -5.547 0.000) 5.955 9.168 ( -5.748 0.335 0.000) 5.758 ======================= Grid point 9 (7/56) ======================= q-point: ( 0.29 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 25.442 5.033 0.000) 25.935 1.110 ( 19.235 11.476 0.000) 22.398 1.772 ( 7.320 6.767 0.000) 9.969 1.860 ( 10.358 3.755 0.000) 11.018 1.900 ( 11.008 7.526 0.000) 13.335 1.941 ( 10.300 17.614 0.000) 20.405 1.999 ( 13.148 6.213 0.000) 14.542 2.139 ( 12.312 8.796 0.000) 15.132 2.358 ( -13.321 8.317 0.000) 15.704 2.563 ( 0.814 6.332 0.000) 6.385 2.572 ( -9.248 3.954 0.000) 10.057 2.611 ( -4.339 10.065 0.000) 10.961 2.633 ( -8.117 2.412 0.000) 8.468 2.648 ( -1.580 6.671 0.000) 6.855 2.831 ( -2.480 6.643 0.000) 7.091 3.010 ( -1.385 2.924 0.000) 3.235 3.238 ( 1.804 3.967 0.000) 4.358 3.309 ( 8.062 6.379 0.000) 10.280 3.500 ( -2.565 1.840 0.000) 3.157 3.778 ( -16.470 1.618 0.000) 16.549 3.855 ( 6.577 0.156 0.000) 6.579 4.312 ( -12.289 -2.927 0.000) 12.633 4.330 ( -0.007 -5.618 0.000) 5.618 4.469 ( -3.389 -3.336 0.000) 4.756 4.771 ( -7.357 -0.692 0.000) 7.389 4.854 ( -10.137 1.100 0.000) 10.196 4.983 ( -0.682 -2.832 0.000) 2.913 5.111 ( -3.141 -7.538 0.000) 8.166 5.454 ( 4.611 -4.095 0.000) 6.167 5.534 ( 0.750 -4.516 0.000) 4.578 5.626 ( -2.684 -5.417 0.000) 6.045 5.667 ( -3.852 2.267 0.000) 4.469 5.744 ( -5.106 1.311 0.000) 5.272 5.784 ( 0.539 3.642 0.000) 3.681 5.874 ( -1.709 -6.388 0.000) 6.612 5.933 ( 0.511 4.954 0.000) 4.980 6.075 ( 3.741 -4.751 0.000) 6.047 6.170 ( 3.663 1.677 0.000) 4.029 6.195 ( 3.655 -5.086 0.000) 6.263 6.338 ( 6.850 -0.414 0.000) 6.863 6.360 ( -2.860 -0.969 0.000) 3.020 6.453 ( 0.417 4.244 0.000) 4.265 6.454 ( -0.777 0.643 0.000) 1.008 6.533 ( 0.620 -0.104 0.000) 0.629 6.587 ( -1.344 2.811 0.000) 3.116 6.618 ( 1.688 2.629 0.000) 3.124 6.812 ( 2.626 0.017 0.000) 2.626 6.876 ( 2.526 -1.801 0.000) 3.102 6.903 ( 2.009 0.316 0.000) 2.034 6.998 ( -1.195 5.187 0.000) 5.323 7.066 ( 5.633 4.537 0.000) 7.233 7.491 ( -17.118 5.690 0.000) 18.039 7.847 ( -2.744 -2.036 0.000) 3.417 7.968 ( -6.864 3.860 0.000) 7.875 8.163 ( 2.563 -0.829 0.000) 2.693 8.247 ( 1.135 3.317 0.000) 3.505 9.036 ( 0.488 -6.024 0.000) 6.044 9.037 ( 4.892 -3.652 0.000) 6.105 9.099 ( -2.333 -3.743 0.000) 4.411 9.133 ( 1.032 -5.331 0.000) 5.430 ======================= Grid point 10 (8/56) ======================= q-point: ( 0.43 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 16.374 6.951 0.000) 17.789 1.562 ( 20.762 2.554 0.000) 20.919 1.758 ( -7.905 6.090 0.000) 9.979 1.988 ( -13.142 7.635 0.000) 15.199 2.037 ( 10.336 5.944 0.000) 11.923 2.109 ( 13.534 2.468 0.000) 13.757 2.152 ( 1.245 4.048 0.000) 4.235 2.215 ( 9.888 2.819 0.000) 10.282 2.383 ( -7.922 5.327 0.000) 9.547 2.384 ( -7.772 6.886 0.000) 10.383 2.456 ( -6.928 9.493 0.000) 11.752 2.459 ( -9.397 3.890 0.000) 10.170 2.686 ( 5.450 7.703 0.000) 9.436 2.765 ( 24.025 10.909 0.000) 26.386 2.770 ( -3.871 7.014 0.000) 8.011 3.010 ( 5.683 2.890 0.000) 6.375 3.100 ( -11.378 0.953 0.000) 11.417 3.360 ( -25.029 7.402 0.000) 26.100 3.551 ( 12.632 4.722 0.000) 13.486 3.606 ( 6.184 3.110 0.000) 6.922 3.910 ( 0.884 1.541 0.000) 1.777 4.050 ( -13.688 0.802 0.000) 13.711 4.353 ( 2.481 -3.663 0.000) 4.424 4.409 ( -3.054 -3.088 0.000) 4.343 4.686 ( -1.605 -0.357 0.000) 1.644 4.711 ( -4.390 0.900 0.000) 4.481 4.990 ( 1.575 -2.746 0.000) 3.166 5.042 ( -3.561 -3.657 0.000) 5.104 5.539 ( 2.777 -4.678 0.000) 5.440 5.545 ( 0.594 -5.285 0.000) 5.319 5.603 ( 1.574 -5.943 0.000) 6.148 5.623 ( -0.481 -0.051 0.000) 0.484 5.662 ( -3.068 1.391 0.000) 3.368 5.708 ( -6.190 -2.215 0.000) 6.574 5.892 ( 2.254 2.591 0.000) 3.434 5.926 ( -1.143 5.832 0.000) 5.943 6.171 ( 4.800 -3.697 0.000) 6.059 6.225 ( -0.721 -3.601 0.000) 3.672 6.231 ( 3.114 -1.616 0.000) 3.509 6.299 ( -3.619 -3.139 0.000) 4.790 6.449 ( 2.368 0.652 0.000) 2.456 6.453 ( 0.342 0.127 0.000) 0.365 6.467 ( 2.829 1.824 0.000) 3.365 6.524 ( -1.668 1.965 0.000) 2.578 6.588 ( 1.225 0.257 0.000) 1.251 6.616 ( -1.315 1.248 0.000) 1.813 6.865 ( 2.078 1.207 0.000) 2.403 6.887 ( -0.649 1.446 0.000) 1.585 6.947 ( 3.349 0.165 0.000) 3.353 6.997 ( -0.331 2.095 0.000) 2.121 7.133 ( 2.119 7.877 0.000) 8.157 7.226 ( -9.687 7.695 0.000) 12.371 7.822 ( 0.564 -2.073 0.000) 2.148 7.867 ( -3.885 0.013 0.000) 3.885 8.220 ( 2.867 -0.237 0.000) 2.877 8.256 ( -0.637 0.811 0.000) 1.031 9.047 ( 0.742 -5.988 0.000) 6.034 9.066 ( -1.234 -5.259 0.000) 5.401 9.106 ( 2.434 -4.477 0.000) 5.095 9.135 ( -0.732 -4.879 0.000) 4.933 ======================= Grid point 14 (9/56) ======================= q-point: ( 0.00 0.17 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.000 25.365 0.000) 25.365 1.159 ( 0.000 26.504 0.000) 26.504 1.809 ( 0.000 15.718 0.000) 15.718 1.830 ( 0.000 7.562 0.000) 7.562 1.848 ( 0.000 13.182 0.000) 13.182 1.905 ( 0.000 9.285 0.000) 9.285 2.034 ( 0.000 40.151 0.000) 40.151 2.318 ( 0.000 5.312 0.000) 5.312 2.492 ( 0.000 4.568 0.000) 4.568 2.749 ( 0.000 0.706 0.000) 0.706 2.839 ( 0.000 1.987 0.000) 1.987 2.870 ( 0.000 9.240 0.000) 9.240 2.912 ( 0.000 11.115 0.000) 11.115 3.073 ( 0.000 16.675 0.000) 16.675 3.085 ( 0.000 15.091 0.000) 15.091 3.328 ( 0.000 20.481 0.000) 20.481 3.336 ( 0.000 17.982 0.000) 17.982 3.477 ( 0.000 8.856 0.000) 8.856 3.507 ( 0.000 1.673 0.000) 1.673 3.676 ( 0.000 -3.722 0.000) 3.722 3.952 ( 0.000 -4.890 0.000) 4.890 4.150 ( 0.000 -11.360 0.000) 11.360 4.386 ( 0.000 -11.191 0.000) 11.191 4.409 ( 0.000 -10.401 0.000) 10.401 4.945 ( 0.000 -4.505 0.000) 4.505 5.004 ( 0.000 1.272 0.000) 1.272 5.065 ( 0.000 -4.726 0.000) 4.726 5.187 ( 0.000 -3.795 0.000) 3.795 5.208 ( 0.000 -1.958 0.000) 1.958 5.271 ( 0.000 -7.636 0.000) 7.636 5.556 ( 0.000 -8.895 0.000) 8.895 5.690 ( 0.000 1.425 0.000) 1.425 5.762 ( 0.000 -2.734 0.000) 2.734 5.863 ( 0.000 -0.153 0.000) 0.153 5.947 ( 0.000 -0.110 0.000) 0.110 5.956 ( 0.000 -6.225 0.000) 6.225 6.000 ( 0.000 -2.978 0.000) 2.978 6.049 ( 0.000 7.561 0.000) 7.561 6.089 ( 0.000 1.070 0.000) 1.070 6.286 ( 0.000 6.163 0.000) 6.163 6.430 ( 0.000 -4.754 0.000) 4.754 6.530 ( 0.000 0.143 0.000) 0.143 6.547 ( 0.000 3.154 0.000) 3.154 6.549 ( 0.000 5.565 0.000) 5.565 6.617 ( 0.000 -0.389 0.000) 0.389 6.653 ( 0.000 0.590 0.000) 0.590 6.727 ( 0.000 0.897 0.000) 0.897 6.787 ( 0.000 5.084 0.000) 5.084 6.812 ( 0.000 -0.625 0.000) 0.625 6.869 ( 0.000 1.604 0.000) 1.604 7.175 ( 0.000 5.921 0.000) 5.921 7.914 ( 0.000 1.057 0.000) 1.057 7.957 ( 0.000 -6.686 0.000) 6.686 8.071 ( 0.000 -5.096 0.000) 5.096 8.092 ( 0.000 0.776 0.000) 0.776 8.465 ( 0.000 -1.182 0.000) 1.182 8.746 ( 0.000 -4.521 0.000) 4.521 8.869 ( 0.000 -9.967 0.000) 9.967 8.917 ( 0.000 -9.375 0.000) 9.375 9.220 ( 0.000 -4.591 0.000) 4.591 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.14 0.17 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 2.221 24.890 0.000) 24.989 1.188 ( 9.178 22.456 0.000) 24.259 1.848 ( 2.906 7.196 0.000) 7.760 1.861 ( 4.043 12.168 0.000) 12.822 1.925 ( 7.064 12.559 0.000) 14.409 1.963 ( 5.949 8.837 0.000) 10.653 2.209 ( 12.524 25.702 0.000) 28.591 2.262 ( -0.393 17.498 0.000) 17.502 2.551 ( 4.637 3.394 0.000) 5.746 2.714 ( -4.581 1.747 0.000) 4.903 2.773 ( -6.235 3.197 0.000) 7.007 2.849 ( -1.857 9.243 0.000) 9.428 2.864 ( -4.900 10.209 0.000) 11.324 3.043 ( -4.486 14.602 0.000) 15.275 3.063 ( -1.235 14.521 0.000) 14.573 3.245 ( -8.134 10.008 0.000) 12.896 3.363 ( 1.861 14.316 0.000) 14.436 3.423 ( 2.564 16.411 0.000) 16.610 3.611 ( -4.812 -0.866 0.000) 4.889 3.696 ( 11.083 3.467 0.000) 11.613 3.940 ( -2.414 -2.786 0.000) 3.686 4.151 ( 0.269 -11.106 0.000) 11.109 4.337 ( -4.136 -9.834 0.000) 10.668 4.404 ( -1.481 -9.123 0.000) 9.243 4.909 ( -8.666 -2.344 0.000) 8.977 4.963 ( -0.312 -6.255 0.000) 6.263 4.975 ( -2.636 -0.203 0.000) 2.644 5.054 ( -8.175 -0.051 0.000) 8.175 5.295 ( 3.960 -3.404 0.000) 5.222 5.400 ( 7.405 -5.402 0.000) 9.165 5.540 ( -1.610 -7.521 0.000) 7.691 5.689 ( 0.214 -1.457 0.000) 1.473 5.756 ( -0.534 -2.745 0.000) 2.797 5.897 ( -3.611 1.726 0.000) 4.002 5.902 ( -5.605 -0.249 0.000) 5.610 5.914 ( 3.428 -0.129 0.000) 3.430 6.010 ( -1.049 0.701 0.000) 1.262 6.032 ( 3.156 -4.151 0.000) 5.215 6.160 ( 4.888 2.235 0.000) 5.374 6.285 ( 0.584 5.045 0.000) 5.079 6.419 ( -1.281 -5.810 0.000) 5.950 6.438 ( -6.488 -0.310 0.000) 6.496 6.550 ( -0.304 4.566 0.000) 4.577 6.556 ( -0.281 2.807 0.000) 2.821 6.659 ( 3.206 4.238 0.000) 5.314 6.700 ( -3.165 2.940 0.000) 4.320 6.706 ( 5.229 -3.956 0.000) 6.557 6.775 ( 3.717 1.351 0.000) 3.955 6.864 ( 1.536 0.228 0.000) 1.552 6.982 ( 9.081 2.576 0.000) 9.440 7.149 ( -2.319 5.800 0.000) 6.247 7.829 ( -12.547 -3.084 0.000) 12.920 7.878 ( -3.445 -0.648 0.000) 3.505 8.069 ( -1.893 -0.676 0.000) 2.010 8.088 ( 1.832 -2.982 0.000) 3.500 8.410 ( -4.780 1.908 0.000) 5.147 8.811 ( 5.226 -6.375 0.000) 8.243 8.866 ( -0.130 -9.957 0.000) 9.957 8.944 ( 2.182 -9.497 0.000) 9.744 9.142 ( -6.542 -3.223 0.000) 7.293 ======================= Grid point 16 (11/56) ======================= q-point: ( 0.29 0.17 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 15.225 15.776 0.000) 21.925 1.407 ( 12.894 16.842 0.000) 21.210 1.951 ( 4.269 10.454 0.000) 11.292 1.958 ( 8.874 5.683 0.000) 10.538 2.097 ( 10.064 11.058 0.000) 14.952 2.103 ( 6.358 7.237 0.000) 9.633 2.152 ( -1.574 5.846 0.000) 6.055 2.515 ( -15.381 5.438 0.000) 16.314 2.541 ( 7.842 16.517 0.000) 18.284 2.663 ( -5.500 3.376 0.000) 6.453 2.670 ( 9.362 9.150 0.000) 13.091 2.727 ( -9.393 8.129 0.000) 12.422 2.824 ( 1.618 12.838 0.000) 12.939 2.923 ( -6.807 14.092 0.000) 15.650 3.018 ( -3.664 10.804 0.000) 11.408 3.106 ( -3.948 9.229 0.000) 10.038 3.317 ( -7.130 3.077 0.000) 7.766 3.536 ( 8.409 15.967 0.000) 18.046 3.610 ( 5.365 10.061 0.000) 11.401 3.826 ( -9.850 3.034 0.000) 10.306 3.882 ( 7.506 3.007 0.000) 8.086 4.167 ( 1.570 -10.088 0.000) 10.210 4.232 ( -7.001 -4.797 0.000) 8.487 4.354 ( -3.307 -8.115 0.000) 8.763 4.762 ( -5.473 -0.077 0.000) 5.474 4.891 ( -7.335 2.319 0.000) 7.692 4.938 ( -1.841 -0.495 0.000) 1.906 4.970 ( 0.200 -5.291 0.000) 5.295 5.364 ( 3.594 -4.262 0.000) 5.575 5.471 ( 0.482 -1.833 0.000) 1.896 5.505 ( -1.714 -5.532 0.000) 5.792 5.652 ( -4.865 -4.618 0.000) 6.708 5.785 ( -5.933 -0.079 0.000) 5.934 5.786 ( -6.048 1.669 0.000) 6.274 5.801 ( 5.788 -2.563 0.000) 6.330 6.005 ( 3.346 1.946 0.000) 3.871 6.021 ( 2.534 -0.202 0.000) 2.542 6.103 ( 4.216 -4.076 0.000) 5.864 6.238 ( 1.742 3.718 0.000) 4.106 6.316 ( -5.578 -2.614 0.000) 6.161 6.335 ( 5.410 -0.080 0.000) 5.410 6.391 ( -1.459 -5.976 0.000) 6.152 6.530 ( -1.799 2.553 0.000) 3.123 6.561 ( 1.064 2.369 0.000) 2.597 6.655 ( -1.992 3.032 0.000) 3.627 6.702 ( 0.571 5.038 0.000) 5.070 6.815 ( 5.353 -4.107 0.000) 6.747 6.847 ( 3.531 2.269 0.000) 4.197 6.901 ( 2.477 -0.324 0.000) 2.498 7.108 ( -1.613 5.706 0.000) 5.930 7.146 ( 7.491 2.889 0.000) 8.028 7.554 ( -14.459 0.718 0.000) 14.476 7.807 ( -3.229 -1.423 0.000) 3.528 7.996 ( -6.001 -0.116 0.000) 6.002 8.141 ( 3.541 -1.288 0.000) 3.768 8.330 ( -3.047 3.438 0.000) 4.593 8.868 ( 0.352 -10.094 0.000) 10.100 8.895 ( 2.755 -8.983 0.000) 9.396 8.982 ( 1.519 -9.288 0.000) 9.411 9.029 ( -4.298 -4.092 0.000) 5.935 ======================= Grid point 17 (12/56) ======================= q-point: ( 0.43 0.17 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 11.578 11.624 0.000) 16.407 1.670 ( 17.750 7.761 0.000) 19.373 1.916 ( -4.606 9.270 0.000) 10.351 2.141 ( -15.776 5.898 0.000) 16.843 2.178 ( 10.291 4.636 0.000) 11.287 2.194 ( 7.620 8.500 0.000) 11.416 2.277 ( 1.976 7.816 0.000) 8.062 2.283 ( 7.482 4.700 0.000) 8.836 2.483 ( -9.665 4.796 0.000) 10.790 2.519 ( -10.635 7.273 0.000) 12.884 2.590 ( -0.510 7.331 0.000) 7.349 2.683 ( -6.310 9.795 0.000) 11.652 2.812 ( 2.232 3.163 0.000) 3.871 2.919 ( -6.422 5.237 0.000) 8.286 3.035 ( 7.448 14.731 0.000) 16.507 3.165 ( -7.549 7.131 0.000) 10.384 3.217 ( 17.136 18.211 0.000) 25.005 3.566 ( -16.882 12.318 0.000) 20.898 3.702 ( 7.093 10.405 0.000) 12.592 3.726 ( 4.392 9.125 0.000) 10.127 3.971 ( 2.999 4.603 0.000) 5.494 4.078 ( -8.241 1.925 0.000) 8.463 4.218 ( 3.586 -9.471 0.000) 10.128 4.288 ( -3.583 -8.870 0.000) 9.567 4.711 ( 0.186 2.845 0.000) 2.851 4.765 ( -5.151 4.502 0.000) 6.841 4.936 ( 1.185 -2.082 0.000) 2.395 4.963 ( -1.068 -3.483 0.000) 3.643 5.433 ( 3.120 -5.161 0.000) 6.031 5.462 ( -0.774 -2.713 0.000) 2.821 5.489 ( 0.613 -4.580 0.000) 4.621 5.550 ( -4.949 -5.481 0.000) 7.385 5.694 ( -2.835 0.787 0.000) 2.942 5.695 ( -2.840 1.208 0.000) 3.086 5.923 ( 6.029 -0.677 0.000) 6.067 6.010 ( -2.610 2.128 0.000) 3.368 6.097 ( 4.756 -2.720 0.000) 5.479 6.160 ( 0.009 -2.842 0.000) 2.842 6.236 ( -2.210 -2.515 0.000) 3.348 6.237 ( -0.972 1.812 0.000) 2.056 6.394 ( 2.312 -4.920 0.000) 5.436 6.436 ( 1.444 -2.128 0.000) 2.572 6.501 ( 1.475 0.715 0.000) 1.639 6.569 ( -2.114 2.035 0.000) 2.934 6.632 ( 0.979 3.103 0.000) 3.253 6.677 ( -2.621 4.600 0.000) 5.294 6.891 ( 2.348 -1.666 0.000) 2.879 6.900 ( 1.453 1.066 0.000) 1.802 6.968 ( 4.988 1.700 0.000) 5.270 7.068 ( -3.888 4.600 0.000) 6.023 7.253 ( 3.738 3.532 0.000) 5.142 7.336 ( -7.197 2.776 0.000) 7.714 7.786 ( 1.652 -0.775 0.000) 1.825 7.868 ( -6.345 0.360 0.000) 6.355 8.214 ( 3.896 -0.373 0.000) 3.914 8.280 ( -2.820 1.282 0.000) 3.098 8.879 ( 0.908 -10.116 0.000) 10.156 8.903 ( -1.285 -9.967 0.000) 10.050 8.995 ( 0.094 -6.693 0.000) 6.694 8.998 ( 0.200 -8.503 0.000) 8.505 ======================= Grid point 21 (13/56) ======================= q-point: ( 0.00 0.25 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.000 22.277 0.000) 22.277 1.653 ( 0.000 21.842 0.000) 21.842 2.002 ( 0.000 9.155 0.000) 9.155 2.091 ( 0.000 13.421 0.000) 13.421 2.123 ( 0.000 11.909 0.000) 11.909 2.147 ( 0.000 15.839 0.000) 15.839 2.373 ( 0.000 5.831 0.000) 5.831 2.573 ( 0.000 3.548 0.000) 3.548 2.768 ( 0.000 0.929 0.000) 0.929 2.831 ( 0.000 20.088 0.000) 20.088 2.853 ( 0.000 -0.867 0.000) 0.867 3.055 ( 0.000 19.210 0.000) 19.210 3.074 ( 0.000 6.268 0.000) 6.268 3.166 ( 0.000 -4.634 0.000) 4.634 3.484 ( 0.000 20.771 0.000) 20.771 3.580 ( 0.000 -2.095 0.000) 2.095 3.620 ( 0.000 14.410 0.000) 14.410 3.700 ( 0.000 6.046 0.000) 6.046 3.728 ( 0.000 15.655 0.000) 15.655 3.834 ( 0.000 -6.516 0.000) 6.516 3.919 ( 0.000 28.342 0.000) 28.342 3.922 ( 0.000 -4.311 0.000) 4.311 4.135 ( 0.000 -12.539 0.000) 12.539 4.154 ( 0.000 -13.819 0.000) 13.819 4.897 ( 0.000 -0.570 0.000) 0.570 4.969 ( 0.000 -4.520 0.000) 4.520 5.047 ( 0.000 2.217 0.000) 2.217 5.124 ( 0.000 -6.333 0.000) 6.333 5.151 ( 0.000 0.871 0.000) 0.871 5.172 ( 0.000 -1.958 0.000) 1.958 5.412 ( 0.000 -4.660 0.000) 4.660 5.681 ( 0.000 -5.588 0.000) 5.588 5.739 ( 0.000 3.415 0.000) 3.415 5.845 ( 0.000 -1.302 0.000) 1.302 5.861 ( 0.000 -2.840 0.000) 2.840 5.864 ( 0.000 -5.215 0.000) 5.215 5.987 ( 0.000 -0.886 0.000) 0.886 6.105 ( 0.000 0.928 0.000) 0.928 6.173 ( 0.000 4.697 0.000) 4.697 6.310 ( 0.000 -7.024 0.000) 7.024 6.411 ( 0.000 5.468 0.000) 5.468 6.501 ( 0.000 -6.266 0.000) 6.266 6.505 ( 0.000 -2.709 0.000) 2.709 6.546 ( 0.000 -2.771 0.000) 2.771 6.638 ( 0.000 3.103 0.000) 3.103 6.705 ( 0.000 -0.096 0.000) 0.096 6.758 ( 0.000 2.153 0.000) 2.153 6.802 ( 0.000 -0.051 0.000) 0.051 6.847 ( 0.000 0.362 0.000) 0.362 6.948 ( 0.000 5.601 0.000) 5.601 7.307 ( 0.000 6.925 0.000) 6.925 7.804 ( 0.000 -7.692 0.000) 7.692 7.934 ( 0.000 0.830 0.000) 0.830 7.973 ( 0.000 -4.242 0.000) 4.242 8.121 ( 0.000 1.846 0.000) 1.846 8.416 ( 0.000 -3.441 0.000) 3.441 8.652 ( 0.000 -11.028 0.000) 11.028 8.673 ( 0.000 -2.756 0.000) 2.756 8.709 ( 0.000 -10.720 0.000) 10.720 9.102 ( 0.000 -6.952 0.000) 6.952 ======================= Grid point 22 (14/56) ======================= q-point: ( 0.14 0.25 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -1.483 21.119 0.000) 21.171 1.630 ( 5.155 20.757 0.000) 21.387 2.006 ( 1.335 8.346 0.000) 8.452 2.116 ( 2.601 12.289 0.000) 12.562 2.171 ( 4.598 11.767 0.000) 12.633 2.206 ( 5.415 14.650 0.000) 15.619 2.336 ( -3.428 5.514 0.000) 6.492 2.617 ( 3.646 3.208 0.000) 4.856 2.744 ( -2.791 1.341 0.000) 3.097 2.789 ( -6.331 -1.104 0.000) 6.427 2.851 ( 0.599 11.223 0.000) 11.239 3.044 ( -3.621 7.361 0.000) 8.204 3.083 ( -0.431 10.677 0.000) 10.686 3.163 ( 3.961 13.234 0.000) 13.814 3.395 ( -9.020 12.789 0.000) 15.650 3.489 ( -8.640 9.793 0.000) 13.060 3.496 ( -5.812 2.213 0.000) 6.219 3.763 ( 3.698 11.784 0.000) 12.351 3.815 ( 6.643 8.688 0.000) 10.937 3.889 ( 2.869 -0.034 0.000) 2.869 3.898 ( 0.802 12.784 0.000) 12.809 3.967 ( 2.383 8.790 0.000) 9.107 4.109 ( -0.320 -12.429 0.000) 12.433 4.189 ( 1.218 -10.127 0.000) 10.200 4.845 ( -6.222 -3.482 0.000) 7.130 4.911 ( 0.004 0.647 0.000) 0.647 4.986 ( -4.264 1.224 0.000) 4.436 5.094 ( -4.132 3.817 0.000) 5.626 5.239 ( 3.629 -2.233 0.000) 4.261 5.276 ( 10.354 -6.629 0.000) 12.294 5.419 ( 0.359 -4.015 0.000) 4.031 5.640 ( -3.959 -4.298 0.000) 5.844 5.731 ( -0.658 1.180 0.000) 1.351 5.864 ( -0.846 -1.903 0.000) 2.082 5.866 ( 0.506 -4.199 0.000) 4.230 5.898 ( 3.203 -1.353 0.000) 3.477 5.979 ( 0.678 -1.281 0.000) 1.449 6.060 ( -2.607 2.663 0.000) 3.727 6.202 ( 2.506 2.238 0.000) 3.360 6.281 ( -2.280 -7.475 0.000) 7.815 6.387 ( -1.650 4.221 0.000) 4.533 6.417 ( -7.146 -1.907 0.000) 7.397 6.564 ( 1.240 -2.149 0.000) 2.481 6.575 ( 5.694 -5.792 0.000) 8.123 6.618 ( -1.408 1.721 0.000) 2.224 6.732 ( -3.327 1.025 0.000) 3.482 6.735 ( 2.468 0.399 0.000) 2.500 6.824 ( 3.934 2.227 0.000) 4.521 6.863 ( 0.895 0.111 0.000) 0.902 7.035 ( 7.217 2.515 0.000) 7.643 7.281 ( -2.320 7.073 0.000) 7.444 7.729 ( -7.764 -5.900 0.000) 9.751 7.869 ( -4.083 -0.211 0.000) 4.089 8.034 ( 3.818 -2.264 0.000) 4.439 8.085 ( -3.217 1.887 0.000) 3.730 8.405 ( -1.312 -1.879 0.000) 2.292 8.648 ( -0.188 -10.997 0.000) 10.999 8.690 ( 1.484 -5.240 0.000) 5.446 8.732 ( 2.013 -10.966 0.000) 11.150 9.041 ( -5.826 -6.519 0.000) 8.743 ======================= Grid point 23 (15/56) ======================= q-point: ( 0.29 0.25 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 6.034 16.342 0.000) 17.420 1.757 ( 7.579 16.894 0.000) 18.516 2.080 ( 6.761 6.300 0.000) 9.242 2.170 ( 1.065 10.540 0.000) 10.593 2.277 ( -0.789 6.309 0.000) 6.358 2.285 ( 7.185 10.638 0.000) 12.837 2.323 ( 5.617 10.659 0.000) 12.048 2.586 ( -12.673 2.417 0.000) 12.902 2.683 ( 2.892 4.236 0.000) 5.129 2.700 ( -2.878 0.624 0.000) 2.944 2.787 ( -7.444 0.990 0.000) 7.510 2.919 ( -9.416 9.615 0.000) 13.457 3.020 ( -5.135 3.110 0.000) 6.003 3.177 ( -12.333 2.933 0.000) 12.677 3.310 ( 2.327 18.108 0.000) 18.257 3.396 ( 6.945 18.708 0.000) 19.956 3.418 ( -2.558 8.197 0.000) 8.587 3.839 ( 2.547 5.296 0.000) 5.877 3.892 ( 2.612 10.105 0.000) 10.437 3.913 ( 0.987 8.610 0.000) 8.666 3.973 ( 4.862 4.137 0.000) 6.383 4.016 ( 3.115 7.584 0.000) 8.199 4.118 ( 0.115 -6.509 0.000) 6.510 4.180 ( -2.020 -5.662 0.000) 6.012 4.764 ( -1.726 0.116 0.000) 1.729 4.920 ( 0.615 0.562 0.000) 0.833 4.929 ( -1.373 2.026 0.000) 2.447 4.995 ( -6.050 5.292 0.000) 8.038 5.297 ( 2.720 -2.162 0.000) 3.475 5.420 ( -0.052 -2.734 0.000) 2.735 5.436 ( 4.812 -2.947 0.000) 5.642 5.548 ( -5.240 -4.195 0.000) 6.713 5.734 ( 1.743 -2.505 0.000) 3.051 5.792 ( -5.857 -1.134 0.000) 5.966 5.801 ( -4.433 0.344 0.000) 4.446 6.012 ( 5.837 -1.411 0.000) 6.006 6.029 ( 4.039 -2.926 0.000) 4.987 6.050 ( 1.364 2.611 0.000) 2.946 6.228 ( -3.876 -6.296 0.000) 7.394 6.277 ( 4.709 0.247 0.000) 4.716 6.300 ( -3.350 -2.262 0.000) 4.042 6.352 ( -1.678 1.570 0.000) 2.298 6.551 ( -4.199 -0.591 0.000) 4.240 6.590 ( 1.874 -0.031 0.000) 1.875 6.673 ( -3.238 -1.187 0.000) 3.449 6.715 ( 6.960 -5.137 0.000) 8.650 6.770 ( 0.549 0.541 0.000) 0.771 6.886 ( 2.155 -1.323 0.000) 2.529 6.904 ( 3.831 3.638 0.000) 5.283 7.178 ( 7.107 0.454 0.000) 7.121 7.235 ( -2.415 6.699 0.000) 7.121 7.536 ( -11.129 -1.857 0.000) 11.283 7.805 ( -2.148 1.257 0.000) 2.489 8.005 ( -5.281 1.442 0.000) 5.474 8.111 ( 4.365 -1.658 0.000) 4.669 8.365 ( -2.820 0.204 0.000) 2.828 8.648 ( 0.284 -11.014 0.000) 11.018 8.710 ( 0.166 -8.783 0.000) 8.785 8.771 ( 1.879 -11.098 0.000) 11.256 8.916 ( -6.184 -7.033 0.000) 9.365 ======================= Grid point 24 (16/56) ======================= q-point: ( 0.43 0.25 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 11.777 8.850 0.000) 14.732 1.896 ( 5.988 11.922 0.000) 13.342 2.117 ( -3.300 9.978 0.000) 10.509 2.230 ( -5.333 3.670 0.000) 6.474 2.275 ( 1.782 4.181 0.000) 4.545 2.336 ( 4.051 5.884 0.000) 7.143 2.434 ( 5.865 8.744 0.000) 10.529 2.439 ( -1.326 7.834 0.000) 7.946 2.580 ( -7.259 4.999 0.000) 8.814 2.690 ( -3.906 6.308 0.000) 7.419 2.718 ( -3.430 8.036 0.000) 8.738 2.785 ( 4.043 2.310 0.000) 4.656 2.880 ( -6.995 3.116 0.000) 7.658 2.963 ( -9.622 0.758 0.000) 9.652 3.330 ( 2.348 13.014 0.000) 13.224 3.377 ( -2.202 11.678 0.000) 11.883 3.626 ( 11.974 18.622 0.000) 22.139 3.800 ( -5.845 7.256 0.000) 9.318 3.945 ( 2.739 5.756 0.000) 6.374 3.961 ( 1.980 11.152 0.000) 11.326 4.033 ( 1.949 0.829 0.000) 2.118 4.080 ( -3.491 -3.743 0.000) 5.118 4.085 ( 3.375 6.227 0.000) 7.083 4.138 ( -2.211 1.062 0.000) 2.453 4.780 ( 3.238 3.175 0.000) 4.535 4.874 ( -6.097 4.711 0.000) 7.705 4.926 ( 0.439 2.369 0.000) 2.410 4.930 ( 0.222 1.033 0.000) 1.057 5.355 ( 3.668 -2.217 0.000) 4.286 5.427 ( 0.977 -1.519 0.000) 1.806 5.436 ( -4.016 -0.356 0.000) 4.032 5.461 ( -2.838 -2.785 0.000) 3.976 5.702 ( -2.694 -0.479 0.000) 2.737 5.703 ( -2.638 -0.143 0.000) 2.642 5.858 ( 7.843 -4.918 0.000) 9.257 6.001 ( -5.721 -3.433 0.000) 6.672 6.088 ( 2.059 1.619 0.000) 2.619 6.106 ( 0.826 -1.684 0.000) 1.876 6.211 ( 3.205 -0.364 0.000) 3.226 6.274 ( -3.193 1.447 0.000) 3.506 6.299 ( 3.368 -3.913 0.000) 5.163 6.380 ( -0.809 -3.010 0.000) 3.116 6.487 ( 1.124 -2.159 0.000) 2.434 6.577 ( -5.080 -1.632 0.000) 5.336 6.664 ( 3.948 -0.230 0.000) 3.954 6.742 ( -3.329 0.663 0.000) 3.394 6.831 ( 4.885 -4.132 0.000) 6.398 6.893 ( -1.470 -2.491 0.000) 2.892 7.017 ( 7.650 3.902 0.000) 8.588 7.164 ( -6.211 4.896 0.000) 7.909 7.287 ( 4.112 0.545 0.000) 4.148 7.363 ( -5.718 0.809 0.000) 5.775 7.805 ( 2.449 2.424 0.000) 3.446 7.892 ( -6.022 2.067 0.000) 6.367 8.202 ( 5.097 -0.905 0.000) 5.176 8.296 ( -4.436 0.182 0.000) 4.440 8.661 ( 1.127 -10.863 0.000) 10.921 8.691 ( -1.795 -10.344 0.000) 10.499 8.801 ( 1.341 -10.636 0.000) 10.720 8.833 ( -2.511 -9.171 0.000) 9.509 ======================= Grid point 28 (17/56) ======================= q-point: ( 0.00 0.33 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 0.000 17.345 0.000) 17.345 2.030 ( 0.000 15.224 0.000) 15.224 2.198 ( 0.000 10.434 0.000) 10.434 2.340 ( 0.000 10.533 0.000) 10.533 2.371 ( 0.000 12.076 0.000) 12.076 2.465 ( 0.000 14.762 0.000) 14.762 2.490 ( 0.000 5.541 0.000) 5.541 2.639 ( 0.000 3.034 0.000) 3.034 2.756 ( 0.000 -2.986 0.000) 2.986 2.825 ( 0.000 -0.699 0.000) 0.699 2.906 ( 0.000 -2.086 0.000) 2.086 3.043 ( 0.000 -6.030 0.000) 6.030 3.181 ( 0.000 4.397 0.000) 4.397 3.482 ( 0.000 -15.229 0.000) 15.229 3.525 ( 0.000 -2.388 0.000) 2.388 3.616 ( 0.000 23.758 0.000) 23.758 3.660 ( 0.000 -8.570 0.000) 8.570 3.752 ( 0.000 -5.790 0.000) 5.790 3.791 ( 0.000 -11.676 0.000) 11.676 3.906 ( 0.000 12.597 0.000) 12.597 4.020 ( 0.000 9.981 0.000) 9.981 4.117 ( 0.000 11.972 0.000) 11.972 4.202 ( 0.000 20.728 0.000) 20.728 4.444 ( 0.000 21.872 0.000) 21.872 4.889 ( 0.000 -3.296 0.000) 3.296 4.889 ( 0.000 -1.365 0.000) 1.365 5.051 ( 0.000 0.386 0.000) 0.386 5.071 ( 0.000 0.466 0.000) 0.466 5.129 ( 0.000 -1.947 0.000) 1.947 5.225 ( 0.000 5.383 0.000) 5.383 5.373 ( 0.000 0.287 0.000) 0.287 5.544 ( 0.000 -7.491 0.000) 7.491 5.771 ( 0.000 -3.697 0.000) 3.697 5.818 ( 0.000 3.933 0.000) 3.933 5.819 ( 0.000 -1.182 0.000) 1.182 5.833 ( 0.000 -0.214 0.000) 0.214 5.953 ( 0.000 -1.982 0.000) 1.982 6.131 ( 0.000 1.607 0.000) 1.607 6.156 ( 0.000 -7.845 0.000) 7.845 6.234 ( 0.000 0.960 0.000) 0.960 6.395 ( 0.000 -3.385 0.000) 3.385 6.427 ( 0.000 -4.605 0.000) 4.605 6.456 ( 0.000 -5.535 0.000) 5.535 6.492 ( 0.000 2.248 0.000) 2.248 6.666 ( 0.000 -2.686 0.000) 2.686 6.671 ( 0.000 0.174 0.000) 0.174 6.802 ( 0.000 1.018 0.000) 1.018 6.818 ( 0.000 2.569 0.000) 2.569 6.842 ( 0.000 -0.574 0.000) 0.574 7.031 ( 0.000 2.081 0.000) 2.081 7.438 ( 0.000 5.568 0.000) 5.568 7.668 ( 0.000 -5.378 0.000) 5.378 7.911 ( 0.000 -1.769 0.000) 1.769 7.943 ( 0.000 0.007 0.000) 0.007 8.161 ( 0.000 2.002 0.000) 2.002 8.344 ( 0.000 -3.285 0.000) 3.285 8.443 ( 0.000 -9.092 0.000) 9.092 8.501 ( 0.000 -9.473 0.000) 9.473 8.626 ( 0.000 -1.958 0.000) 1.958 8.944 ( 0.000 -8.482 0.000) 8.482 ======================= Grid point 29 (18/56) ======================= q-point: ( 0.14 0.33 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -3.300 14.914 0.000) 15.275 2.006 ( 2.073 15.608 0.000) 15.745 2.188 ( -0.185 10.035 0.000) 10.037 2.344 ( 1.156 10.061 0.000) 10.127 2.409 ( 2.667 9.782 0.000) 10.139 2.453 ( -2.344 6.882 0.000) 7.270 2.492 ( 1.867 12.267 0.000) 12.408 2.678 ( 3.136 2.613 0.000) 4.082 2.725 ( -3.182 -2.923 0.000) 4.321 2.779 ( -4.267 0.677 0.000) 4.320 2.890 ( -2.472 -2.165 0.000) 3.286 3.055 ( 1.331 -2.868 0.000) 3.161 3.174 ( -1.577 5.639 0.000) 5.856 3.401 ( -6.574 -13.638 0.000) 15.140 3.414 ( -9.194 -2.494 0.000) 9.526 3.602 ( -5.746 -2.237 0.000) 6.166 3.675 ( 5.572 22.044 0.000) 22.737 3.748 ( 0.437 -7.631 0.000) 7.644 3.847 ( 4.439 -12.259 0.000) 13.038 3.952 ( 3.645 9.695 0.000) 10.358 4.057 ( 4.152 10.843 0.000) 11.611 4.180 ( 4.847 10.007 0.000) 11.119 4.187 ( -1.190 19.450 0.000) 19.486 4.429 ( -1.596 21.341 0.000) 21.401 4.798 ( -3.291 -0.998 0.000) 3.439 4.950 ( 1.439 2.191 0.000) 2.621 5.019 ( -2.593 1.952 0.000) 3.245 5.152 ( 8.995 -4.699 0.000) 10.149 5.194 ( -1.607 3.825 0.000) 4.149 5.202 ( 3.130 0.337 0.000) 3.149 5.381 ( 0.607 -0.062 0.000) 0.611 5.527 ( -1.724 -6.493 0.000) 6.718 5.776 ( 0.730 -3.922 0.000) 3.989 5.783 ( -2.992 3.130 0.000) 4.330 5.840 ( -0.333 -0.412 0.000) 0.530 5.867 ( 3.796 -1.781 0.000) 4.193 5.952 ( 0.237 -1.299 0.000) 1.320 6.112 ( -1.181 2.613 0.000) 2.868 6.129 ( -1.742 -7.142 0.000) 7.351 6.240 ( 0.929 1.131 0.000) 1.464 6.359 ( -5.983 -3.583 0.000) 6.974 6.426 ( 0.305 -1.547 0.000) 1.577 6.482 ( 2.467 -5.426 0.000) 5.961 6.484 ( 1.417 -1.348 0.000) 1.956 6.624 ( -2.625 -1.108 0.000) 2.849 6.708 ( 1.935 -2.326 0.000) 3.025 6.754 ( -4.446 1.114 0.000) 4.584 6.837 ( 0.970 -0.489 0.000) 1.086 6.889 ( 4.482 2.162 0.000) 4.976 7.071 ( 4.043 0.694 0.000) 4.102 7.416 ( -2.098 5.742 0.000) 6.113 7.621 ( -4.703 -4.205 0.000) 6.308 7.873 ( -2.070 0.729 0.000) 2.194 7.996 ( 3.665 -1.597 0.000) 3.998 8.132 ( -2.932 2.555 0.000) 3.889 8.354 ( 0.661 -2.810 0.000) 2.887 8.441 ( -0.145 -9.031 0.000) 9.032 8.517 ( 1.462 -9.925 0.000) 10.032 8.602 ( -2.314 -3.520 0.000) 4.213 8.887 ( -5.623 -8.384 0.000) 10.095 ======================= Grid point 30 (19/56) ======================= q-point: ( 0.29 0.33 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -0.146 11.982 0.000) 11.983 2.051 ( 2.479 10.780 0.000) 11.062 2.224 ( 4.186 8.639 0.000) 9.600 2.364 ( -2.553 7.825 0.000) 8.231 2.396 ( 1.682 5.753 0.000) 5.994 2.470 ( -6.093 1.716 0.000) 6.330 2.505 ( 5.225 10.011 0.000) 11.293 2.658 ( -3.311 6.242 0.000) 7.066 2.710 ( -0.947 1.012 0.000) 1.386 2.734 ( 1.151 0.291 0.000) 1.187 2.806 ( -4.051 2.026 0.000) 4.530 3.039 ( -4.723 -0.377 0.000) 4.738 3.095 ( -6.542 7.440 0.000) 9.907 3.195 ( -12.815 0.621 0.000) 12.830 3.342 ( 2.496 -8.922 0.000) 9.264 3.562 ( 1.556 3.679 0.000) 3.994 3.714 ( -3.103 -12.461 0.000) 12.842 3.780 ( 3.802 14.141 0.000) 14.643 3.955 ( 6.005 -5.061 0.000) 7.853 4.009 ( 2.163 9.051 0.000) 9.306 4.151 ( 4.728 7.549 0.000) 8.907 4.182 ( 1.143 15.217 0.000) 15.260 4.259 ( 2.990 11.216 0.000) 11.608 4.385 ( -2.812 18.972 0.000) 19.179 4.777 ( 1.192 1.601 0.000) 1.996 4.975 ( 1.489 3.930 0.000) 4.203 4.984 ( -1.520 3.394 0.000) 3.718 5.124 ( -4.234 7.159 0.000) 8.318 5.272 ( 3.152 -0.827 0.000) 3.259 5.327 ( 7.717 -6.550 0.000) 10.122 5.393 ( 0.906 -0.118 0.000) 0.914 5.491 ( -1.453 -2.818 0.000) 3.171 5.718 ( -3.124 0.998 0.000) 3.279 5.750 ( -3.779 -2.391 0.000) 4.472 5.798 ( -3.943 -0.598 0.000) 3.988 5.956 ( 4.661 -3.627 0.000) 5.906 5.983 ( 2.538 -2.073 0.000) 3.277 6.106 ( -0.120 -5.196 0.000) 5.197 6.116 ( 1.656 3.774 0.000) 4.122 6.267 ( -2.313 -1.201 0.000) 2.606 6.280 ( 3.207 0.334 0.000) 3.224 6.374 ( -4.114 0.438 0.000) 4.138 6.500 ( -3.706 -4.061 0.000) 5.498 6.537 ( 3.244 -5.101 0.000) 6.046 6.620 ( 4.297 -3.896 0.000) 5.800 6.651 ( -6.025 -0.280 0.000) 6.032 6.731 ( 0.097 -3.882 0.000) 3.883 6.845 ( -0.514 -2.666 0.000) 2.715 6.985 ( 5.749 4.074 0.000) 7.047 7.178 ( 6.619 -0.247 0.000) 6.624 7.364 ( -3.457 5.603 0.000) 6.584 7.503 ( -6.988 -1.040 0.000) 7.065 7.848 ( -0.308 2.780 0.000) 2.797 8.054 ( -5.029 3.333 0.000) 6.033 8.075 ( 4.706 -1.874 0.000) 5.066 8.350 ( -1.442 -1.347 0.000) 1.973 8.442 ( 0.363 -8.982 0.000) 8.990 8.548 ( 1.649 -10.623 0.000) 10.750 8.550 ( -2.800 -6.874 0.000) 7.422 8.752 ( -7.626 -8.849 0.000) 11.682 ======================= Grid point 31 (20/56) ======================= q-point: ( 0.43 0.33 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 5.681 6.290 0.000) 8.475 2.088 ( -0.234 5.995 0.000) 5.999 2.285 ( -3.406 1.230 0.000) 3.621 2.291 ( -3.700 6.194 0.000) 7.215 2.367 ( 4.188 5.857 0.000) 7.201 2.448 ( 1.217 5.050 0.000) 5.194 2.551 ( -2.913 2.999 0.000) 4.180 2.578 ( -4.327 5.275 0.000) 6.823 2.718 ( 5.541 8.269 0.000) 9.954 2.764 ( 4.799 3.698 0.000) 6.059 2.843 ( 2.525 2.528 0.000) 3.573 2.915 ( -11.316 8.778 0.000) 14.321 2.927 ( -3.785 2.994 0.000) 4.825 2.998 ( -7.235 3.257 0.000) 7.935 3.450 ( 6.984 -4.333 0.000) 8.219 3.566 ( -3.937 2.779 0.000) 4.819 3.697 ( 3.316 -7.642 0.000) 8.330 3.779 ( -3.473 4.066 0.000) 5.347 4.047 ( 2.972 1.523 0.000) 3.339 4.053 ( 2.019 8.478 0.000) 8.715 4.213 ( 1.532 6.723 0.000) 6.895 4.213 ( 1.289 9.676 0.000) 9.761 4.297 ( 1.444 13.702 0.000) 13.778 4.332 ( -2.435 15.567 0.000) 15.756 4.838 ( 4.761 3.299 0.000) 5.793 4.933 ( -4.324 3.361 0.000) 5.477 5.008 ( 1.928 5.725 0.000) 6.041 5.052 ( -2.936 7.726 0.000) 8.265 5.331 ( 3.149 -0.931 0.000) 3.284 5.381 ( -1.394 -3.886 0.000) 4.129 5.426 ( 2.583 1.236 0.000) 2.864 5.477 ( -1.704 2.093 0.000) 2.699 5.684 ( -2.008 -1.050 0.000) 2.266 5.688 ( -1.490 -1.334 0.000) 2.000 5.760 ( 3.670 -4.036 0.000) 5.455 5.891 ( -7.477 -6.462 0.000) 9.882 6.091 ( 5.328 -0.435 0.000) 5.346 6.144 ( 0.069 3.473 0.000) 3.474 6.189 ( 7.550 -2.246 0.000) 7.877 6.260 ( 0.835 0.320 0.000) 0.894 6.292 ( -3.644 0.494 0.000) 3.678 6.326 ( -2.678 -2.121 0.000) 3.417 6.424 ( 0.690 -3.546 0.000) 3.613 6.519 ( -6.309 -3.311 0.000) 7.125 6.621 ( 4.284 -3.705 0.000) 5.664 6.697 ( -2.230 -4.549 0.000) 5.066 6.727 ( 4.325 -5.972 0.000) 7.374 6.809 ( -3.311 -5.237 0.000) 6.196 7.115 ( 7.740 5.185 0.000) 9.316 7.264 ( -7.193 4.824 0.000) 8.661 7.298 ( 5.494 0.716 0.000) 5.541 7.389 ( -4.679 1.698 0.000) 4.978 7.870 ( 2.780 3.842 0.000) 4.743 7.951 ( -5.336 3.811 0.000) 6.558 8.178 ( 5.995 -1.454 0.000) 6.169 8.288 ( -4.991 -0.741 0.000) 5.046 8.458 ( 1.469 -8.839 0.000) 8.960 8.499 ( -2.594 -8.499 0.000) 8.886 8.579 ( 1.813 -10.961 0.000) 11.110 8.632 ( -4.349 -10.397 0.000) 11.271 ======================= Grid point 35 (21/56) ======================= q-point: ( 0.00 0.42 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 0.000 10.535 0.000) 10.535 2.277 ( 0.000 9.724 0.000) 9.724 2.436 ( 0.000 12.620 0.000) 12.620 2.482 ( 0.000 2.609 0.000) 2.609 2.579 ( 0.000 7.267 0.000) 7.267 2.594 ( 0.000 -5.197 0.000) 5.197 2.596 ( 0.000 4.724 0.000) 4.724 2.707 ( 0.000 4.287 0.000) 4.287 2.771 ( 0.000 1.686 0.000) 1.686 2.835 ( 0.000 7.266 0.000) 7.266 2.836 ( 0.000 -3.968 0.000) 3.968 2.951 ( 0.000 -2.563 0.000) 2.563 3.181 ( 0.000 -12.874 0.000) 12.874 3.242 ( 0.000 0.090 0.000) 0.090 3.432 ( 0.000 -10.248 0.000) 10.248 3.489 ( 0.000 -1.050 0.000) 1.050 3.555 ( 0.000 -9.810 0.000) 9.810 3.596 ( 0.000 -6.393 0.000) 6.393 3.984 ( 0.000 12.469 0.000) 12.469 4.101 ( 0.000 6.060 0.000) 6.060 4.283 ( 0.000 10.828 0.000) 10.828 4.327 ( 0.000 7.563 0.000) 7.563 4.598 ( 0.000 16.264 0.000) 16.264 4.764 ( 0.000 9.329 0.000) 9.329 4.841 ( 0.000 -1.253 0.000) 1.253 4.845 ( 0.000 -2.040 0.000) 2.040 5.076 ( 0.000 0.192 0.000) 0.192 5.100 ( 0.000 -0.944 0.000) 0.944 5.128 ( 0.000 5.782 0.000) 5.782 5.331 ( 0.000 4.372 0.000) 4.372 5.390 ( 0.000 -7.492 0.000) 7.492 5.392 ( 0.000 0.883 0.000) 0.883 5.724 ( 0.000 -0.558 0.000) 0.558 5.794 ( 0.000 -1.536 0.000) 1.536 5.844 ( 0.000 1.155 0.000) 1.155 5.876 ( 0.000 1.294 0.000) 1.294 5.926 ( 0.000 -0.506 0.000) 0.506 6.012 ( 0.000 -5.795 0.000) 5.795 6.165 ( 0.000 1.565 0.000) 1.565 6.216 ( 0.000 -1.659 0.000) 1.659 6.339 ( 0.000 -3.592 0.000) 3.592 6.349 ( 0.000 -4.419 0.000) 4.419 6.382 ( 0.000 1.555 0.000) 1.555 6.495 ( 0.000 -1.837 0.000) 1.837 6.628 ( 0.000 -0.671 0.000) 0.671 6.657 ( 0.000 -1.146 0.000) 1.146 6.812 ( 0.000 0.287 0.000) 0.287 6.829 ( 0.000 -0.643 0.000) 0.643 6.887 ( 0.000 3.815 0.000) 3.815 7.030 ( 0.000 -2.002 0.000) 2.002 7.524 ( 0.000 2.920 0.000) 2.920 7.593 ( 0.000 -2.175 0.000) 2.175 7.901 ( 0.000 0.536 0.000) 0.536 7.936 ( 0.000 -0.647 0.000) 0.647 8.201 ( 0.000 1.966 0.000) 1.966 8.287 ( 0.000 -2.379 0.000) 2.379 8.300 ( 0.000 -4.738 0.000) 4.738 8.339 ( 0.000 -6.204 0.000) 6.204 8.602 ( 0.000 0.019 0.000) 0.019 8.773 ( 0.000 -7.887 0.000) 7.887 ======================= Grid point 36 (22/56) ======================= q-point: ( 0.14 0.42 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -3.892 10.047 0.000) 10.775 2.242 ( -2.213 8.614 0.000) 8.894 2.421 ( -1.177 11.264 0.000) 11.326 2.474 ( -0.955 1.352 0.000) 1.655 2.545 ( -1.917 6.357 0.000) 6.640 2.549 ( -4.408 -4.546 0.000) 6.332 2.620 ( 1.508 6.020 0.000) 6.206 2.719 ( 1.124 1.777 0.000) 2.102 2.755 ( -2.051 -1.590 0.000) 2.595 2.828 ( -0.894 -3.285 0.000) 3.404 2.835 ( 0.398 10.715 0.000) 10.722 3.005 ( 4.746 -1.805 0.000) 5.078 3.138 ( -3.360 -10.329 0.000) 10.861 3.272 ( 1.528 2.795 0.000) 3.185 3.338 ( -5.847 -6.407 0.000) 8.674 3.451 ( -4.909 -6.216 0.000) 7.921 3.602 ( 0.554 -6.024 0.000) 6.049 3.648 ( 8.386 -7.130 0.000) 11.007 4.001 ( 1.254 10.930 0.000) 11.002 4.111 ( 0.804 5.017 0.000) 5.081 4.293 ( 1.210 10.201 0.000) 10.272 4.369 ( 3.694 6.623 0.000) 7.584 4.575 ( -2.006 16.589 0.000) 16.710 4.751 ( -1.800 9.822 0.000) 9.985 4.805 ( -0.410 1.658 0.000) 1.708 4.934 ( 5.216 -3.801 0.000) 6.454 5.062 ( -0.071 2.236 0.000) 2.238 5.146 ( 2.634 3.997 0.000) 4.787 5.161 ( 4.342 -2.261 0.000) 4.895 5.312 ( -1.809 5.057 0.000) 5.371 5.388 ( 0.074 -6.974 0.000) 6.975 5.394 ( 0.024 0.667 0.000) 0.667 5.727 ( 0.486 -0.573 0.000) 0.752 5.822 ( 2.436 -2.809 0.000) 3.718 5.828 ( -2.192 1.204 0.000) 2.501 5.849 ( -2.560 0.831 0.000) 2.691 5.935 ( 0.586 -0.316 0.000) 0.666 6.005 ( -0.246 -4.754 0.000) 4.760 6.164 ( 0.405 2.415 0.000) 2.449 6.236 ( 2.033 -1.294 0.000) 2.410 6.295 ( -3.293 -2.059 0.000) 3.884 6.369 ( 1.866 -5.095 0.000) 5.426 6.395 ( 0.817 0.126 0.000) 0.826 6.474 ( -2.190 -1.363 0.000) 2.579 6.597 ( -2.636 -0.619 0.000) 2.708 6.658 ( -0.315 -2.480 0.000) 2.500 6.776 ( -4.338 1.054 0.000) 4.464 6.821 ( -0.733 -1.038 0.000) 1.271 6.941 ( 5.185 2.938 0.000) 5.959 7.058 ( 3.430 -1.882 0.000) 3.912 7.504 ( -1.933 2.971 0.000) 3.545 7.565 ( -2.824 -1.555 0.000) 3.224 7.899 ( 0.162 1.766 0.000) 1.774 7.966 ( 2.769 -1.358 0.000) 3.084 8.186 ( -1.591 2.779 0.000) 3.202 8.298 ( -0.133 -4.749 0.000) 4.751 8.299 ( 0.990 -2.649 0.000) 2.828 8.345 ( 0.555 -6.703 0.000) 6.726 8.555 ( -4.647 -0.696 0.000) 4.699 8.718 ( -5.635 -7.870 0.000) 9.679 ======================= Grid point 37 (23/56) ======================= q-point: ( 0.29 0.42 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -4.139 8.831 0.000) 9.753 2.192 ( -2.378 4.718 0.000) 5.283 2.365 ( -5.996 -0.768 0.000) 6.045 2.427 ( -4.272 -1.142 0.000) 4.422 2.482 ( -0.496 6.056 0.000) 6.076 2.533 ( 0.678 6.045 0.000) 6.083 2.635 ( -1.127 1.588 0.000) 1.947 2.701 ( -3.215 -1.268 0.000) 3.456 2.750 ( 2.983 2.548 0.000) 3.923 2.823 ( 1.433 -0.845 0.000) 1.664 2.851 ( 1.127 10.411 0.000) 10.472 3.038 ( -1.635 0.955 0.000) 1.893 3.160 ( 6.102 -6.662 0.000) 9.034 3.192 ( -7.247 1.404 0.000) 7.382 3.236 ( -7.702 2.837 0.000) 8.207 3.408 ( -0.137 -12.440 0.000) 12.441 3.638 ( 4.422 1.704 0.000) 4.739 3.831 ( 10.073 -6.604 0.000) 12.044 4.002 ( -1.936 8.300 0.000) 8.523 4.122 ( 0.286 2.506 0.000) 2.523 4.327 ( 2.267 8.607 0.000) 8.901 4.442 ( 3.503 5.358 0.000) 6.401 4.524 ( -3.473 15.137 0.000) 15.530 4.683 ( -5.202 9.280 0.000) 10.638 4.834 ( 3.512 3.958 0.000) 5.291 5.022 ( 4.147 -1.286 0.000) 4.342 5.065 ( -0.271 4.483 0.000) 4.491 5.237 ( 1.808 -2.261 0.000) 2.895 5.239 ( 6.000 -0.163 0.000) 6.002 5.273 ( -0.803 6.260 0.000) 6.311 5.399 ( 1.027 0.097 0.000) 1.031 5.412 ( 2.924 -4.806 0.000) 5.625 5.720 ( -2.108 -0.210 0.000) 2.118 5.752 ( -5.191 1.627 0.000) 5.440 5.784 ( -4.401 -0.639 0.000) 4.447 5.857 ( -0.936 -5.691 0.000) 5.767 5.962 ( 3.668 -0.042 0.000) 3.668 6.023 ( 3.318 -3.114 0.000) 4.550 6.195 ( 2.704 3.743 0.000) 4.617 6.262 ( 0.466 1.029 0.000) 1.129 6.286 ( 2.763 -0.185 0.000) 2.770 6.374 ( -3.635 -0.064 0.000) 3.636 6.417 ( 2.889 -6.009 0.000) 6.668 6.423 ( -3.405 -2.829 0.000) 4.427 6.559 ( -0.056 -1.854 0.000) 1.854 6.638 ( -1.802 -4.722 0.000) 5.054 6.664 ( -6.737 1.607 0.000) 6.926 6.782 ( -3.441 -3.447 0.000) 4.871 7.064 ( 7.439 3.639 0.000) 8.282 7.166 ( 7.313 -1.111 0.000) 7.397 7.451 ( -3.841 2.975 0.000) 4.859 7.495 ( -4.036 -0.002 0.000) 4.036 7.913 ( 1.426 3.565 0.000) 3.839 8.036 ( 4.570 -2.005 0.000) 4.990 8.138 ( -3.617 4.781 0.000) 5.995 8.298 ( 0.287 -4.885 0.000) 4.894 8.314 ( 0.327 -2.458 0.000) 2.480 8.358 ( 0.754 -7.679 0.000) 7.716 8.443 ( -6.436 -3.133 0.000) 7.158 8.575 ( -8.640 -8.156 0.000) 11.882 ======================= Grid point 38 (24/56) ======================= q-point: ( 0.43 0.42 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 0.250 4.877 0.000) 4.884 2.152 ( -2.752 1.796 0.000) 3.286 2.267 ( -1.255 -2.741 0.000) 3.015 2.325 ( -5.534 -2.878 0.000) 6.238 2.507 ( 2.219 6.936 0.000) 7.283 2.545 ( -0.752 4.519 0.000) 4.581 2.602 ( 0.000 1.955 0.000) 1.955 2.641 ( -2.983 0.982 0.000) 3.141 2.855 ( 6.522 4.125 0.000) 7.717 2.869 ( 3.196 1.283 0.000) 3.444 2.872 ( 0.842 6.698 0.000) 6.750 3.025 ( 1.155 5.697 0.000) 5.813 3.029 ( -9.500 2.651 0.000) 9.863 3.096 ( -5.875 5.129 0.000) 7.799 3.281 ( 5.856 -8.668 0.000) 10.461 3.373 ( -3.554 -11.851 0.000) 12.372 3.770 ( 8.306 6.368 0.000) 10.466 3.918 ( -6.586 7.361 0.000) 9.877 4.008 ( 7.812 -4.383 0.000) 8.958 4.108 ( -2.517 -1.110 0.000) 2.750 4.377 ( 3.055 8.218 0.000) 8.767 4.448 ( -4.201 10.895 0.000) 11.677 4.501 ( 3.065 5.453 0.000) 6.256 4.577 ( -5.112 7.291 0.000) 8.904 4.927 ( 5.715 5.370 0.000) 7.842 5.027 ( -3.979 5.576 0.000) 6.850 5.103 ( 4.430 1.385 0.000) 4.641 5.186 ( -4.103 3.144 0.000) 5.169 5.317 ( 2.335 1.527 0.000) 2.790 5.323 ( 2.162 0.310 0.000) 2.184 5.451 ( 4.068 0.317 0.000) 4.081 5.487 ( 2.598 -1.905 0.000) 3.222 5.665 ( -2.274 -0.217 0.000) 2.284 5.668 ( -2.040 -0.338 0.000) 2.068 5.705 ( -2.350 -1.849 0.000) 2.990 5.765 ( -6.584 -5.592 0.000) 8.638 6.085 ( 7.685 0.139 0.000) 7.686 6.139 ( 8.008 -2.282 0.000) 8.327 6.210 ( -3.820 2.607 0.000) 4.625 6.289 ( -5.855 -1.839 0.000) 6.137 6.291 ( 1.690 2.423 0.000) 2.955 6.312 ( -1.229 1.866 0.000) 2.234 6.372 ( 2.765 -1.076 0.000) 2.967 6.449 ( -1.644 -4.240 0.000) 4.547 6.559 ( -1.884 -0.742 0.000) 2.024 6.590 ( -2.592 -5.145 0.000) 5.761 6.606 ( 3.909 -5.344 0.000) 6.621 6.698 ( -5.004 -5.413 0.000) 7.372 7.213 ( 7.846 4.303 0.000) 8.948 7.307 ( 6.885 -0.137 0.000) 6.887 7.351 ( -6.424 3.642 0.000) 7.385 7.416 ( -4.595 0.646 0.000) 4.640 7.960 ( 3.692 5.161 0.000) 6.346 8.050 ( -5.220 6.023 0.000) 7.970 8.145 ( 6.814 -1.968 0.000) 7.092 8.277 ( -5.636 -0.089 0.000) 5.637 8.313 ( 1.299 -5.301 0.000) 5.458 8.347 ( -2.574 -6.785 0.000) 7.257 8.375 ( 1.226 -8.608 0.000) 8.695 8.428 ( -5.407 -9.043 0.000) 10.536 ======================= Grid point 42 (25/56) ======================= q-point: ( 0.00 -0.50 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 0.000 -6.042 0.000) 6.042 2.439 ( 0.000 6.042 0.000) 6.042 2.447 ( 0.000 -8.210 0.000) 8.210 2.447 ( 0.000 8.210 0.000) 8.210 2.647 ( 0.000 -0.174 0.000) 0.174 2.647 ( 0.000 0.174 0.000) 0.174 2.666 ( 0.000 -9.110 0.000) 9.110 2.666 ( 0.000 9.110 0.000) 9.110 2.782 ( 0.000 -1.841 0.000) 1.841 2.782 ( 0.000 1.841 0.000) 1.841 2.981 ( 0.000 -6.378 0.000) 6.378 2.981 ( 0.000 6.378 0.000) 6.378 3.078 ( 0.000 -12.598 0.000) 12.598 3.078 ( 0.000 12.598 0.000) 12.598 3.405 ( 0.000 -4.501 0.000) 4.501 3.405 ( 0.000 4.501 0.000) 4.501 3.505 ( 0.000 -2.429 0.000) 2.429 3.505 ( 0.000 2.429 0.000) 2.429 4.136 ( 0.000 -2.731 0.000) 2.731 4.136 ( 0.000 2.731 0.000) 2.731 4.402 ( 0.000 -0.707 0.000) 0.707 4.402 ( 0.000 0.707 0.000) 0.707 4.796 ( 0.000 -3.217 0.000) 3.217 4.796 ( 0.000 3.217 0.000) 3.217 4.845 ( 0.000 -1.011 0.000) 1.011 4.845 ( 0.000 1.011 0.000) 1.011 5.084 ( 0.000 -0.666 0.000) 0.666 5.084 ( 0.000 0.666 0.000) 0.666 5.250 ( 0.000 -6.273 0.000) 6.273 5.250 ( 0.000 6.273 0.000) 6.273 5.389 ( 0.000 -1.416 0.000) 1.416 5.389 ( 0.000 1.416 0.000) 1.416 5.750 ( 0.000 -2.504 0.000) 2.504 5.750 ( 0.000 2.504 0.000) 2.504 5.872 ( 0.000 -1.256 0.000) 1.256 5.872 ( 0.000 1.256 0.000) 1.256 5.936 ( 0.000 -1.762 0.000) 1.762 5.936 ( 0.000 1.762 0.000) 1.762 6.191 ( 0.000 -1.019 0.000) 1.019 6.191 ( 0.000 1.019 0.000) 1.019 6.300 ( 0.000 -0.130 0.000) 0.130 6.300 ( 0.000 0.130 0.000) 0.130 6.435 ( 0.000 -3.354 0.000) 3.354 6.435 ( 0.000 3.354 0.000) 3.354 6.635 ( 0.000 -0.935 0.000) 0.935 6.635 ( 0.000 0.935 0.000) 0.935 6.818 ( 0.000 -0.381 0.000) 0.381 6.818 ( 0.000 0.381 0.000) 0.381 6.967 ( 0.000 -3.819 0.000) 3.819 6.967 ( 0.000 3.819 0.000) 3.819 7.563 ( 0.000 -1.282 0.000) 1.282 7.563 ( 0.000 1.282 0.000) 1.282 7.919 ( 0.000 -1.007 0.000) 1.007 7.919 ( 0.000 1.007 0.000) 1.007 8.242 ( 0.000 -2.119 0.000) 2.119 8.242 ( 0.000 2.119 0.000) 2.119 8.262 ( 0.000 -1.101 0.000) 1.101 8.262 ( 0.000 1.101 0.000) 1.101 8.645 ( 0.000 -4.402 0.000) 4.402 8.645 ( 0.000 4.402 0.000) 4.402 ======================= Grid point 44 (26/56) ======================= q-point: ( 0.14 -0.50 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -4.935 -7.101 0.000) 8.647 2.397 ( -4.935 7.101 0.000) 8.647 2.412 ( -3.017 -6.876 0.000) 7.509 2.412 ( -3.017 6.876 0.000) 7.509 2.639 ( -0.875 -2.612 0.000) 2.755 2.639 ( -0.875 2.612 0.000) 2.755 2.650 ( -1.241 -8.126 0.000) 8.221 2.650 ( -1.241 8.126 0.000) 8.221 2.773 ( -0.372 -2.597 0.000) 2.623 2.773 ( -0.372 2.597 0.000) 2.623 3.009 ( 2.832 -2.809 0.000) 3.989 3.009 ( 2.832 2.809 0.000) 3.989 3.083 ( 0.275 -12.794 0.000) 12.797 3.083 ( 0.275 12.794 0.000) 12.797 3.376 ( -3.635 -3.933 0.000) 5.355 3.376 ( -3.635 3.933 0.000) 5.355 3.552 ( 5.604 -1.956 0.000) 5.935 3.552 ( 5.604 1.956 0.000) 5.935 4.137 ( -0.177 -2.631 0.000) 2.637 4.137 ( -0.177 2.631 0.000) 2.637 4.420 ( 1.714 -1.891 0.000) 2.552 4.420 ( 1.714 1.891 0.000) 2.552 4.802 ( -1.182 -5.199 0.000) 5.331 4.802 ( -1.182 5.199 0.000) 5.331 4.857 ( 2.390 -2.974 0.000) 3.816 4.857 ( 2.390 2.974 0.000) 3.816 5.110 ( 2.482 -2.555 0.000) 3.562 5.110 ( 2.482 2.555 0.000) 3.562 5.254 ( 0.959 -6.104 0.000) 6.179 5.254 ( 0.959 6.104 0.000) 6.179 5.384 ( -0.504 -1.919 0.000) 1.985 5.384 ( -0.504 1.919 0.000) 1.985 5.757 ( 0.706 -3.068 0.000) 3.148 5.757 ( 0.706 3.068 0.000) 3.148 5.848 ( -2.566 -0.787 0.000) 2.684 5.848 ( -2.566 0.787 0.000) 2.684 5.944 ( 0.609 -1.449 0.000) 1.572 5.944 ( 0.609 1.449 0.000) 1.572 6.205 ( 1.737 -1.677 0.000) 2.414 6.205 ( 1.737 1.677 0.000) 2.414 6.294 ( -0.119 -2.038 0.000) 2.041 6.294 ( -0.119 2.038 0.000) 2.041 6.427 ( -1.058 -2.541 0.000) 2.753 6.427 ( -1.058 2.541 0.000) 2.753 6.613 ( -2.192 -1.838 0.000) 2.861 6.613 ( -2.192 1.838 0.000) 2.861 6.798 ( -2.712 -1.134 0.000) 2.939 6.798 ( -2.712 1.134 0.000) 2.939 7.004 ( 4.403 -3.128 0.000) 5.401 7.004 ( 4.403 3.128 0.000) 5.401 7.543 ( -2.055 -1.103 0.000) 2.332 7.543 ( -2.055 1.103 0.000) 2.332 7.936 ( 1.750 -1.704 0.000) 2.443 7.936 ( 1.750 1.704 0.000) 2.443 8.243 ( 0.031 -2.814 0.000) 2.815 8.243 ( 0.031 2.814 0.000) 2.815 8.261 ( -0.102 -1.253 0.000) 1.258 8.261 ( -0.102 1.253 0.000) 1.258 8.590 ( -5.542 -4.257 0.000) 6.988 8.590 ( -5.542 4.257 0.000) 6.988 ======================= Grid point 46 (27/56) ======================= q-point: ( 0.29 -0.50 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -6.090 -4.666 0.000) 7.672 2.283 ( -6.090 4.666 0.000) 7.672 2.323 ( -5.870 -7.894 0.000) 9.837 2.323 ( -5.870 7.894 0.000) 9.837 2.617 ( -0.967 -2.393 0.000) 2.581 2.617 ( -0.967 2.393 0.000) 2.581 2.629 ( -0.869 -5.908 0.000) 5.971 2.629 ( -0.869 5.908 0.000) 5.971 2.798 ( 3.282 -1.548 0.000) 3.628 2.798 ( 3.282 1.548 0.000) 3.628 3.075 ( -1.606 -11.210 0.000) 11.325 3.075 ( -1.606 11.210 0.000) 11.325 3.076 ( 3.719 -2.568 0.000) 4.519 3.076 ( 3.719 2.568 0.000) 4.519 3.280 ( -5.568 -2.220 0.000) 5.994 3.280 ( -5.568 2.220 0.000) 5.994 3.706 ( 9.779 -5.178 0.000) 11.065 3.706 ( 9.779 5.178 0.000) 11.065 4.117 ( -2.176 -3.001 0.000) 3.707 4.117 ( -2.176 3.001 0.000) 3.707 4.458 ( 2.181 -3.479 0.000) 4.106 4.458 ( 2.181 3.479 0.000) 4.106 4.731 ( -5.804 -4.465 0.000) 7.323 4.731 ( -5.804 4.465 0.000) 7.323 4.934 ( 5.122 -5.558 0.000) 7.558 4.934 ( 5.122 5.558 0.000) 7.558 5.160 ( 1.813 -4.648 0.000) 4.989 5.160 ( 1.813 4.648 0.000) 4.989 5.308 ( 4.724 -5.120 0.000) 6.966 5.308 ( 4.724 5.120 0.000) 6.966 5.374 ( 0.067 -3.019 0.000) 3.019 5.374 ( 0.067 3.019 0.000) 3.019 5.754 ( -2.103 -3.730 0.000) 4.282 5.754 ( -2.103 3.730 0.000) 4.282 5.773 ( -5.140 -0.571 0.000) 5.171 5.773 ( -5.140 0.571 0.000) 5.171 5.977 ( 4.015 -1.476 0.000) 4.278 5.977 ( 4.015 1.476 0.000) 4.278 6.259 ( 3.434 -2.399 0.000) 4.189 6.259 ( 3.434 2.399 0.000) 4.189 6.313 ( 2.125 -3.965 0.000) 4.498 6.313 ( 2.125 3.965 0.000) 4.498 6.386 ( -3.417 -1.209 0.000) 3.625 6.386 ( -3.417 1.209 0.000) 3.625 6.562 ( -2.626 -2.271 0.000) 3.472 6.562 ( -2.626 2.271 0.000) 3.472 6.713 ( -5.717 -3.110 0.000) 6.508 6.713 ( -5.717 3.110 0.000) 6.508 7.128 ( 7.964 -2.604 0.000) 8.379 7.128 ( 7.964 2.604 0.000) 8.379 7.489 ( -3.505 -0.919 0.000) 3.623 7.489 ( -3.505 0.919 0.000) 3.623 7.985 ( 3.422 -3.206 0.000) 4.690 7.985 ( 3.422 3.206 0.000) 4.690 8.239 ( -0.711 -4.809 0.000) 4.862 8.239 ( -0.711 4.809 0.000) 4.862 8.260 ( 0.086 -1.478 0.000) 1.480 8.260 ( 0.086 1.478 0.000) 1.480 8.448 ( -8.650 -3.682 0.000) 9.401 8.448 ( -8.650 3.682 0.000) 9.401 ======================= Grid point 48 (28/56) ======================= q-point: ( 0.43 -0.50 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -1.934 -3.186 0.000) 3.727 2.200 ( -1.934 3.186 0.000) 3.727 2.221 ( -3.897 -6.039 0.000) 7.187 2.221 ( -3.897 6.039 0.000) 7.187 2.610 ( 0.095 -1.456 0.000) 1.459 2.610 ( 0.095 1.456 0.000) 1.459 2.616 ( -0.517 -3.436 0.000) 3.475 2.616 ( -0.517 3.436 0.000) 3.475 2.890 ( 5.966 -0.687 0.000) 6.006 2.890 ( 5.966 0.687 0.000) 6.006 3.006 ( -5.493 -5.247 0.000) 7.596 3.006 ( -5.493 5.247 0.000) 7.596 3.139 ( 2.868 -5.761 0.000) 6.436 3.139 ( 2.868 5.761 0.000) 6.436 3.193 ( -3.302 -5.640 0.000) 6.536 3.193 ( -3.302 5.640 0.000) 6.536 3.897 ( 9.448 -6.158 0.000) 11.278 3.897 ( 9.448 6.158 0.000) 11.278 4.044 ( -5.725 -4.864 0.000) 7.512 4.044 ( -5.725 4.864 0.000) 7.513 4.510 ( 3.625 -3.972 0.000) 5.377 4.510 ( 3.625 3.972 0.000) 5.377 4.607 ( -6.363 -3.990 0.000) 7.511 4.607 ( -6.363 3.990 0.000) 7.511 5.042 ( 5.874 -5.465 0.000) 8.023 5.042 ( 5.874 5.465 0.000) 8.023 5.141 ( -3.839 -5.142 0.000) 6.417 5.141 ( -3.839 5.142 0.000) 6.417 5.406 ( 4.082 -5.467 0.000) 6.823 5.406 ( 4.082 5.467 0.000) 6.823 5.410 ( 2.864 -4.555 0.000) 5.381 5.410 ( 2.864 4.555 0.000) 5.381 5.676 ( -3.786 -1.012 0.000) 3.919 5.676 ( -3.786 1.013 0.000) 3.919 5.682 ( -3.927 -2.227 0.000) 4.515 5.682 ( -3.927 2.227 0.000) 4.515 6.101 ( 8.126 -1.411 0.000) 8.247 6.101 ( 8.126 1.411 0.000) 8.247 6.251 ( -6.366 -1.801 0.000) 6.616 6.251 ( -6.366 1.801 0.000) 6.616 6.357 ( 1.765 -1.630 0.000) 2.403 6.357 ( 1.765 1.630 0.000) 2.403 6.357 ( 1.831 -4.159 0.000) 4.545 6.357 ( 1.831 4.159 0.000) 4.545 6.535 ( 0.560 -0.775 0.000) 0.957 6.535 ( 0.560 0.776 0.000) 0.957 6.600 ( -5.553 -3.974 0.000) 6.828 6.600 ( -5.553 3.974 0.000) 6.828 7.282 ( 7.629 -2.383 0.000) 7.993 7.282 ( 7.629 2.383 0.000) 7.993 7.406 ( -5.299 -1.669 0.000) 5.555 7.406 ( -5.299 1.669 0.000) 5.555 8.073 ( 5.929 -5.339 0.000) 7.979 8.073 ( 5.929 5.339 0.000) 7.979 8.194 ( -5.104 -7.886 0.000) 9.394 8.194 ( -5.104 7.886 0.000) 9.394 8.266 ( 0.728 -1.442 0.000) 1.615 8.266 ( 0.728 1.442 0.000) 1.615 8.305 ( -4.576 -3.070 0.000) 5.511 8.305 ( -4.576 3.070 0.000) 5.511 ======================= Grid point 91 (29/56) ======================= q-point: ( 0.00 0.00 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 0.000 0.000 26.606) 26.606 0.585 ( 0.000 0.000 26.655) 26.655 0.984 ( 0.000 0.000 33.475) 33.475 1.124 ( 0.000 0.000 -24.372) 24.372 1.165 ( 0.000 0.000 -10.749) 10.749 1.932 ( 0.000 0.000 -35.233) 35.233 1.975 ( 0.000 0.000 15.364) 15.364 2.024 ( 0.000 0.000 16.188) 16.188 2.303 ( 0.000 0.000 -9.507) 9.507 2.318 ( 0.000 0.000 -19.409) 19.409 2.506 ( 0.000 0.000 1.942) 1.942 2.558 ( 0.000 0.000 -2.540) 2.540 2.560 ( 0.000 0.000 12.744) 12.744 2.791 ( 0.000 0.000 1.579) 1.579 2.816 ( 0.000 0.000 -0.634) 0.634 2.822 ( 0.000 0.000 -5.297) 5.297 3.094 ( 0.000 0.000 2.854) 2.854 3.261 ( 0.000 0.000 -8.124) 8.124 3.810 ( 0.000 0.000 19.892) 19.892 4.025 ( 0.000 0.000 14.936) 14.936 4.142 ( 0.000 0.000 -9.190) 9.190 4.291 ( 0.000 0.000 -9.055) 9.055 4.638 ( 0.000 0.000 0.564) 0.564 4.678 ( 0.000 0.000 -3.114) 3.114 5.156 ( 0.000 0.000 -0.321) 0.321 5.171 ( 0.000 0.000 -1.221) 1.221 5.227 ( 0.000 0.000 1.861) 1.861 5.264 ( 0.000 0.000 -1.786) 1.786 5.369 ( 0.000 0.000 2.337) 2.337 5.444 ( 0.000 0.000 -4.291) 4.291 5.687 ( 0.000 0.000 0.735) 0.735 5.704 ( 0.000 0.000 -0.749) 0.749 5.736 ( 0.000 0.000 4.067) 4.067 5.760 ( 0.000 0.000 1.712) 1.712 5.809 ( 0.000 0.000 -2.634) 2.634 5.820 ( 0.000 0.000 -3.217) 3.217 6.014 ( 0.000 0.000 6.922) 6.922 6.085 ( 0.000 0.000 5.384) 5.384 6.144 ( 0.000 0.000 -4.232) 4.232 6.216 ( 0.000 0.000 -6.481) 6.481 6.318 ( 0.000 0.000 7.387) 7.387 6.464 ( 0.000 0.000 3.330) 3.330 6.495 ( 0.000 0.000 -0.230) 0.230 6.527 ( 0.000 0.000 -11.097) 11.097 6.538 ( 0.000 0.000 1.071) 1.071 6.582 ( 0.000 0.000 -2.270) 2.270 6.741 ( 0.000 0.000 1.550) 1.550 6.778 ( 0.000 0.000 -1.755) 1.755 6.827 ( 0.000 0.000 1.093) 1.093 6.850 ( 0.000 0.000 -0.927) 0.927 7.196 ( 0.000 0.000 15.433) 15.433 7.552 ( 0.000 0.000 -17.328) 17.328 8.161 ( 0.000 0.000 1.207) 1.207 8.187 ( 0.000 0.000 -1.123) 1.123 8.252 ( 0.000 0.000 10.343) 10.343 8.416 ( 0.000 0.000 -4.904) 4.904 8.788 ( 0.000 0.000 2.660) 2.660 8.850 ( 0.000 0.000 -2.605) 2.605 9.109 ( 0.000 0.000 1.015) 1.015 9.133 ( 0.000 0.000 -1.034) 1.034 ======================= Grid point 92 (30/56) ======================= q-point: ( 0.14 0.00 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 14.610 0.000 19.207) 24.132 0.796 ( 19.385 0.000 18.834) 27.028 1.162 ( 8.036 0.000 -19.601) 21.184 1.241 ( 11.423 0.000 -21.489) 24.337 1.381 ( 26.990 0.000 31.902) 41.788 1.992 ( 2.686 0.000 13.690) 13.951 2.073 ( 4.891 0.000 15.237) 16.003 2.106 ( 13.827 0.000 -22.897) 26.748 2.289 ( -1.537 0.000 -19.611) 19.671 2.336 ( 3.210 0.000 -8.939) 9.498 2.454 ( -5.411 0.000 2.280) 5.872 2.516 ( -2.623 0.000 5.079) 5.716 2.517 ( -4.341 0.000 -3.169) 5.375 2.719 ( -9.497 0.000 -8.147) 12.513 2.760 ( -3.178 0.000 2.212) 3.872 2.797 ( -2.017 0.000 -1.038) 2.268 3.135 ( 3.489 0.000 7.273) 8.067 3.334 ( 3.238 0.000 -8.735) 9.316 3.755 ( -4.091 0.000 16.059) 16.572 3.927 ( -6.695 0.000 4.672) 8.164 4.086 ( -4.975 0.000 6.847) 8.463 4.297 ( -0.518 0.000 -8.759) 8.774 4.577 ( -5.562 0.000 2.260) 6.004 4.623 ( -5.985 0.000 -0.043) 5.985 4.990 ( -12.496 0.000 1.022) 12.538 5.032 ( -8.509 0.000 1.404) 8.624 5.071 ( -8.094 0.000 -1.033) 8.160 5.187 ( -7.573 0.000 -7.968) 10.993 5.441 ( 4.846 0.000 2.001) 5.242 5.512 ( 5.168 0.000 -4.224) 6.675 5.673 ( -1.390 0.000 0.157) 1.399 5.679 ( -2.035 0.000 -0.359) 2.066 5.744 ( -1.637 0.000 2.103) 2.665 5.796 ( -1.496 0.000 -2.514) 2.925 5.844 ( 3.496 0.000 1.186) 3.692 5.907 ( 3.635 0.000 -3.308) 4.915 6.113 ( 2.640 0.000 4.525) 5.239 6.128 ( 10.087 0.000 5.172) 11.335 6.226 ( 1.020 0.000 -5.715) 5.805 6.229 ( 7.384 0.000 -1.943) 7.635 6.329 ( 0.579 0.000 4.959) 4.992 6.455 ( -0.844 0.000 2.950) 3.069 6.484 ( -1.007 0.000 -0.182) 1.023 6.489 ( -3.116 0.000 -8.239) 8.809 6.545 ( 0.617 0.000 0.809) 1.018 6.579 ( -0.204 0.000 -1.866) 1.877 6.794 ( 3.159 0.000 -0.266) 3.171 6.815 ( 3.878 0.000 -1.454) 4.142 6.844 ( 1.644 0.000 0.906) 1.877 6.864 ( 1.286 0.000 -0.785) 1.507 7.179 ( -1.739 0.000 14.810) 14.911 7.498 ( -6.862 0.000 -14.031) 15.619 8.014 ( -11.770 0.000 2.565) 12.047 8.024 ( -11.099 0.000 1.918) 11.264 8.211 ( -4.166 0.000 4.888) 6.423 8.237 ( -0.563 0.000 2.594) 2.654 8.930 ( 6.882 0.000 -0.397) 6.893 8.969 ( 5.094 0.000 -4.762) 6.973 9.161 ( 4.168 0.000 1.731) 4.513 9.194 ( 3.528 0.000 -0.732) 3.604 ======================= Grid point 93 (31/56) ======================= q-point: ( 0.29 0.00 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 21.290 0.000 9.397) 23.272 1.212 ( 22.705 0.000 11.373) 25.394 1.377 ( 14.606 0.000 -17.907) 23.109 1.516 ( 16.300 0.000 -16.036) 22.865 1.911 ( 19.469 0.000 20.454) 28.239 2.095 ( 0.258 0.000 10.025) 10.029 2.157 ( 8.336 0.000 5.779) 10.143 2.193 ( 6.172 0.000 12.165) 13.642 2.297 ( -9.486 0.000 3.108) 9.982 2.357 ( -1.706 0.000 -13.996) 14.100 2.381 ( -6.744 0.000 -4.818) 8.289 2.436 ( 3.580 0.000 -6.866) 7.743 2.535 ( -4.921 0.000 -4.898) 6.943 2.671 ( 21.551 0.000 -19.719) 29.212 2.673 ( -5.783 0.000 3.986) 7.024 2.741 ( -3.765 0.000 -2.126) 4.324 3.129 ( -5.072 0.000 6.591) 8.316 3.282 ( -8.253 0.000 -6.022) 10.217 3.709 ( -1.930 0.000 10.491) 10.667 3.811 ( -10.524 0.000 0.519) 10.537 3.982 ( -2.145 0.000 11.876) 12.068 4.229 ( -6.779 0.000 -9.179) 11.411 4.445 ( -6.435 0.000 3.693) 7.419 4.501 ( -5.777 0.000 -0.889) 5.845 4.787 ( -8.105 0.000 1.254) 8.201 4.837 ( -9.755 0.000 -1.806) 9.921 4.992 ( -1.660 0.000 -0.021) 1.660 5.080 ( -3.536 0.000 -7.500) 8.292 5.536 ( 5.221 0.000 2.390) 5.742 5.600 ( 3.865 0.000 -3.273) 5.065 5.637 ( -1.758 0.000 0.373) 1.797 5.649 ( -1.327 0.000 -0.752) 1.525 5.706 ( -1.985 0.000 2.122) 2.905 5.753 ( -2.794 0.000 -1.977) 3.422 5.859 ( -1.112 0.000 2.266) 2.525 5.921 ( -1.677 0.000 -2.715) 3.191 6.174 ( 3.411 0.000 2.931) 4.498 6.249 ( 1.175 0.000 -3.791) 3.969 6.260 ( 1.003 0.000 6.093) 6.175 6.349 ( 2.541 0.000 2.647) 3.669 6.382 ( 7.084 0.000 -0.883) 7.139 6.437 ( -0.861 0.000 1.910) 2.095 6.453 ( 2.005 0.000 -4.300) 4.745 6.461 ( -1.285 0.000 -0.381) 1.340 6.557 ( 0.630 0.000 0.538) 0.828 6.576 ( -0.142 0.000 -0.989) 0.999 6.846 ( 2.768 0.000 0.121) 2.771 6.876 ( 1.959 0.000 -2.137) 2.899 6.879 ( 1.793 0.000 0.517) 1.866 6.891 ( 1.352 0.000 -0.482) 1.436 7.124 ( -4.280 0.000 8.034) 9.103 7.297 ( -12.425 0.000 -7.367) 14.445 7.874 ( -2.334 0.000 2.589) 3.486 7.945 ( 0.000 0.000 -1.780) 1.780 8.156 ( -1.757 0.000 2.829) 3.330 8.228 ( -0.786 0.000 -1.740) 1.910 9.030 ( 3.645 0.000 -0.537) 3.684 9.054 ( 4.815 0.000 -2.189) 5.289 9.215 ( -0.819 0.000 2.041) 2.199 9.216 ( 1.042 0.000 1.642) 1.945 ======================= Grid point 94 (32/56) ======================= q-point: ( 0.43 0.00 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 18.344 0.000 6.937) 19.612 1.626 ( 19.841 0.000 6.853) 20.991 1.643 ( 6.905 0.000 -7.649) 10.304 1.808 ( 10.437 0.000 -8.758) 13.625 1.908 ( -3.646 0.000 2.774) 4.581 2.050 ( -10.358 0.000 2.440) 10.641 2.071 ( -9.728 0.000 -7.932) 12.552 2.162 ( -12.187 0.000 -6.603) 13.861 2.260 ( 5.507 0.000 4.136) 6.887 2.367 ( -1.839 0.000 -3.274) 3.755 2.381 ( 8.256 0.000 8.923) 12.156 2.527 ( -1.684 0.000 0.948) 1.933 2.558 ( -0.097 0.000 0.015) 0.098 2.655 ( -5.208 0.000 -3.675) 6.374 2.805 ( 28.370 0.000 13.235) 31.305 3.024 ( -2.238 0.000 2.590) 3.423 3.061 ( -0.827 0.000 -4.428) 4.505 3.187 ( 18.350 0.000 -15.120) 23.777 3.397 ( -26.512 0.000 9.296) 28.094 3.595 ( -16.780 0.000 -7.313) 18.304 4.017 ( 4.586 0.000 9.290) 10.360 4.111 ( -4.737 0.000 1.787) 5.063 4.381 ( -0.312 0.000 0.346) 0.466 4.414 ( -3.302 0.000 -1.880) 3.800 4.688 ( -2.244 0.000 -0.063) 2.245 4.704 ( -3.927 0.000 -0.775) 4.002 4.990 ( 1.235 0.000 -1.147) 1.686 5.027 ( -2.394 0.000 -3.819) 4.507 5.617 ( -0.183 0.000 0.523) 0.554 5.627 ( -0.975 0.000 -0.195) 0.994 5.633 ( 4.253 0.000 2.229) 4.802 5.657 ( 1.740 0.000 -0.041) 1.741 5.682 ( -0.142 0.000 0.610) 0.626 5.703 ( -2.098 0.000 -1.037) 2.340 5.829 ( -1.105 0.000 0.718) 1.317 5.858 ( -3.844 0.000 -1.421) 4.098 6.232 ( 2.459 0.000 1.203) 2.738 6.260 ( -0.361 0.000 -1.175) 1.230 6.271 ( 1.394 0.000 1.592) 2.116 6.315 ( -2.977 0.000 -1.856) 3.508 6.428 ( -0.010 0.000 0.467) 0.467 6.438 ( -0.997 0.000 -0.413) 1.080 6.516 ( 4.729 0.000 1.843) 5.076 6.534 ( 2.920 0.000 0.483) 2.960 6.568 ( 0.415 0.000 0.262) 0.491 6.573 ( -0.184 0.000 -0.214) 0.283 6.905 ( 0.832 0.000 0.147) 0.845 6.909 ( 0.436 0.000 -0.169) 0.467 6.911 ( 3.827 0.000 -0.654) 3.882 6.926 ( 5.220 0.000 -1.872) 5.545 7.018 ( -6.272 0.000 2.009) 6.586 7.078 ( -9.878 0.000 -3.156) 10.370 7.888 ( 2.562 0.000 4.387) 5.080 7.936 ( -1.743 0.000 2.598) 3.129 8.157 ( 1.775 0.000 -2.776) 3.295 8.200 ( -2.141 0.000 -4.353) 4.851 9.097 ( 3.359 0.000 0.957) 3.493 9.129 ( 1.960 0.000 -1.693) 2.590 9.183 ( -1.170 0.000 2.849) 3.080 9.208 ( -1.741 0.000 0.552) 1.826 ======================= Grid point 98 (33/56) ======================= q-point: ( 0.00 0.08 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.000 17.518 18.488) 25.469 0.822 ( 0.000 19.737 17.892) 26.640 1.220 ( 0.000 9.422 -22.893) 24.756 1.234 ( 0.000 12.952 -16.836) 21.242 1.476 ( 0.000 32.823 27.816) 43.024 2.010 ( 0.000 3.677 14.656) 15.110 2.034 ( 0.000 6.026 1.482) 6.206 2.182 ( 0.000 14.745 -10.206) 17.933 2.304 ( 0.000 0.198 -3.031) 3.038 2.380 ( 0.000 7.906 -24.047) 25.313 2.602 ( 0.000 9.867 0.531) 9.881 2.667 ( 0.000 8.733 -4.203) 9.691 2.698 ( 0.000 11.318 6.262) 12.935 2.828 ( 0.000 5.688 -0.257) 5.694 2.852 ( 0.000 2.755 1.584) 3.178 2.875 ( 0.000 5.903 -0.424) 5.919 3.158 ( 0.000 6.186 -0.724) 6.228 3.274 ( 0.000 2.196 -7.465) 7.781 3.793 ( 0.000 -1.136 18.793) 18.827 3.981 ( 0.000 -4.216 14.135) 14.750 4.060 ( 0.000 -5.193 -4.155) 6.651 4.233 ( 0.000 -5.528 -8.607) 10.230 4.567 ( 0.000 -6.702 0.190) 6.705 4.582 ( 0.000 -7.423 -0.375) 7.432 5.051 ( 0.000 -6.105 3.604) 7.089 5.078 ( 0.000 -7.806 0.052) 7.807 5.124 ( 0.000 -2.970 -0.573) 3.025 5.189 ( 0.000 -3.349 -4.925) 5.955 5.320 ( 0.000 -4.266 2.703) 5.050 5.379 ( 0.000 -4.905 -2.721) 5.609 5.701 ( 0.000 -1.239 2.047) 2.392 5.766 ( 0.000 -1.508 -3.930) 4.209 5.767 ( 0.000 -2.186 3.178) 3.857 5.837 ( 0.000 1.328 -3.362) 3.615 5.860 ( 0.000 6.731 -0.003) 6.731 5.880 ( 0.000 4.037 -2.908) 4.975 5.962 ( 0.000 -0.238 7.411) 7.415 6.108 ( 0.000 -0.446 -4.181) 4.205 6.154 ( 0.000 4.229 5.631) 7.043 6.297 ( 0.000 6.600 -7.062) 9.666 6.344 ( 0.000 1.160 7.231) 7.324 6.451 ( 0.000 -4.113 2.537) 4.833 6.488 ( 0.000 -2.687 -1.136) 2.918 6.538 ( 0.000 1.012 -10.325) 10.374 6.568 ( 0.000 6.174 3.501) 7.097 6.577 ( 0.000 2.967 3.060) 4.262 6.747 ( 0.000 0.392 1.916) 1.955 6.797 ( 0.000 1.219 -2.582) 2.855 6.800 ( 0.000 -3.116 0.427) 3.145 6.806 ( 0.000 -0.590 -0.588) 0.833 7.254 ( 0.000 4.606 14.432) 15.149 7.597 ( 0.000 2.988 -16.940) 17.201 8.119 ( 0.000 -4.260 1.749) 4.605 8.150 ( 0.000 -3.702 -1.112) 3.865 8.278 ( 0.000 0.296 10.143) 10.147 8.430 ( 0.000 0.743 -4.127) 4.194 8.843 ( 0.000 -0.595 1.342) 1.468 8.964 ( 0.000 7.905 -11.446) 13.910 9.048 ( 0.000 -5.860 1.117) 5.966 9.081 ( 0.000 -4.500 -2.561) 5.178 ======================= Grid point 99 (34/56) ======================= q-point: ( 0.14 0.08 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 9.702 15.413 16.598) 24.641 0.916 ( 14.625 13.884 15.272) 25.296 1.286 ( 5.607 10.773 -19.450) 22.930 1.327 ( 10.571 8.430 -20.755) 24.770 1.727 ( 22.697 29.083 25.016) 44.573 2.026 ( 2.374 3.412 12.847) 13.503 2.105 ( 5.527 3.968 9.056) 11.327 2.228 ( -0.531 4.326 0.155) 4.361 2.338 ( 7.156 5.456 -10.801) 14.058 2.407 ( 3.326 10.954 -24.460) 27.006 2.569 ( -3.736 11.075 -0.571) 11.702 2.619 ( -4.832 7.742 -4.090) 10.000 2.642 ( -3.087 11.245 1.012) 11.704 2.756 ( -7.573 4.991 -4.893) 10.305 2.819 ( -2.863 6.119 3.047) 7.411 2.863 ( -1.463 6.627 -0.925) 6.849 3.159 ( 0.987 2.667 5.722) 6.390 3.344 ( 2.526 1.377 -8.996) 9.445 3.753 ( -2.725 0.236 15.471) 15.711 3.904 ( -4.478 -1.879 5.325) 7.207 4.045 ( -3.126 -3.510 5.955) 7.586 4.240 ( -0.176 -5.507 -8.154) 9.841 4.514 ( -4.958 -6.029 1.734) 7.996 4.550 ( -3.952 -6.257 -0.429) 7.413 4.959 ( -9.802 -2.647 0.601) 10.171 5.007 ( -5.799 -2.162 -1.023) 6.273 5.025 ( -6.089 -3.560 -0.436) 7.067 5.098 ( -5.556 -5.042 -3.509) 8.283 5.387 ( 4.360 -3.953 1.679) 6.120 5.446 ( 4.390 -4.440 -3.444) 7.130 5.713 ( -3.249 -2.568 1.440) 4.384 5.718 ( -0.106 -0.203 0.561) 0.605 5.771 ( -1.568 2.370 0.293) 2.857 5.811 ( -1.309 0.759 -2.631) 3.036 5.856 ( 0.300 2.531 -0.559) 2.609 5.870 ( -0.435 -0.615 -1.878) 2.023 6.074 ( 8.399 -2.462 6.087) 10.661 6.157 ( 1.737 2.940 4.922) 5.990 6.202 ( 6.929 -1.352 -2.420) 7.463 6.286 ( -1.977 3.422 -3.751) 5.449 6.321 ( -1.525 0.136 4.465) 4.720 6.441 ( -2.576 -2.180 -2.483) 4.190 6.489 ( 0.034 -1.063 -2.659) 2.864 6.500 ( 0.791 -1.842 -1.220) 2.347 6.559 ( -0.910 5.538 3.257) 6.489 6.605 ( 0.533 4.800 -1.142) 4.962 6.778 ( 2.565 0.009 1.205) 2.834 6.808 ( 2.836 -1.701 -0.704) 3.381 6.847 ( 3.476 0.336 -0.052) 3.493 6.869 ( 4.538 1.020 -2.082) 5.096 7.243 ( -1.339 4.545 13.782) 14.574 7.559 ( -5.039 3.427 -15.266) 16.437 8.014 ( -9.753 -0.914 3.756) 10.491 8.091 ( -6.090 0.392 -3.688) 7.131 8.206 ( -4.772 -0.413 6.385) 7.981 8.286 ( -6.446 5.436 -0.958) 8.486 8.916 ( 5.405 -2.349 0.227) 5.898 8.964 ( 0.781 -0.710 -4.476) 4.599 9.102 ( 3.892 -5.620 1.510) 7.001 9.142 ( 3.025 -4.525 -1.850) 5.749 ======================= Grid point 100 (35/56) ======================= q-point: ( 0.29 0.08 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 18.673 9.726 9.078) 22.928 1.260 ( 19.962 6.370 11.418) 23.863 1.468 ( 13.245 8.425 -15.518) 22.073 1.587 ( 15.635 6.594 -16.391) 23.592 2.067 ( 4.760 8.603 10.972) 14.732 2.113 ( -4.873 1.573 7.202) 8.837 2.236 ( 12.066 9.455 6.412) 16.617 2.249 ( 13.409 7.153 13.218) 20.141 2.369 ( -8.767 5.379 -3.771) 10.956 2.436 ( -2.352 6.209 -3.190) 7.366 2.477 ( -6.158 8.430 -5.216) 11.670 2.539 ( 0.226 10.236 -7.222) 12.530 2.602 ( -0.884 7.671 -0.596) 7.745 2.741 ( -4.867 7.544 4.423) 10.008 2.784 ( 7.435 8.995 -10.224) 15.516 2.841 ( 7.612 11.182 -10.299) 17.001 3.127 ( -5.054 -0.041 6.836) 8.501 3.285 ( -7.865 0.396 -6.388) 10.140 3.730 ( -1.031 2.171 9.653) 9.948 3.819 ( -9.637 1.004 0.619) 9.708 3.969 ( -0.786 -1.126 10.499) 10.588 4.190 ( -5.209 -3.732 -8.522) 10.663 4.400 ( -5.456 -4.351 3.528) 7.820 4.458 ( -4.741 -4.188 -1.447) 6.490 4.784 ( -7.273 -0.117 1.597) 7.447 4.839 ( -8.656 0.404 -2.299) 8.966 4.965 ( -1.642 -2.114 0.193) 2.684 5.028 ( -2.318 -4.162 -5.075) 6.961 5.471 ( 4.536 -4.597 1.444) 6.618 5.511 ( 2.534 -4.752 -1.923) 5.719 5.651 ( -2.798 -3.083 1.570) 4.449 5.671 ( -3.279 0.672 -0.091) 3.348 5.749 ( -3.789 0.720 0.361) 3.874 5.763 ( -1.513 2.089 -1.045) 2.783 5.864 ( 0.228 -2.220 -0.176) 2.238 5.887 ( 1.845 1.683 -2.200) 3.328 6.154 ( 1.128 -1.813 4.707) 5.169 6.229 ( -1.897 -1.403 2.879) 3.722 6.241 ( 3.177 -1.312 1.768) 3.866 6.301 ( -0.393 -2.672 -1.708) 3.195 6.347 ( 6.281 -1.552 0.634) 6.501 6.403 ( 0.889 -1.203 -3.384) 3.699 6.518 ( 1.139 2.358 -0.525) 2.671 6.519 ( 2.165 -1.028 -1.484) 2.819 6.534 ( -1.503 4.154 2.732) 5.194 6.606 ( 0.109 3.745 -2.663) 4.596 6.832 ( 2.837 0.629 1.832) 3.435 6.869 ( 2.629 -0.915 -1.118) 3.000 6.909 ( 2.902 1.542 0.976) 3.428 6.947 ( 3.412 3.091 -2.479) 5.229 7.192 ( -4.167 5.196 8.585) 10.865 7.383 ( -12.021 5.698 -8.474) 15.772 7.879 ( -3.104 0.191 4.236) 5.256 7.995 ( -2.879 3.719 -3.952) 6.143 8.136 ( -1.923 -1.668 3.522) 4.346 8.232 ( -1.608 0.781 -2.992) 3.486 8.994 ( 2.390 -3.975 -0.715) 4.693 9.011 ( 4.354 -3.730 -1.674) 5.972 9.154 ( 0.623 -5.916 1.884) 6.240 9.160 ( -0.282 -5.206 1.388) 5.395 ======================= Grid point 101 (36/56) ======================= q-point: ( 0.43 0.08 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 16.214 6.313 6.157) 18.457 1.629 ( 14.126 2.842 2.868) 14.691 1.739 ( 13.114 6.735 -2.160) 14.900 1.884 ( 13.085 6.517 -10.093) 17.764 1.956 ( -3.466 4.304 1.911) 5.847 2.085 ( -14.301 3.392 2.981) 14.997 2.105 ( -8.084 3.462 -7.280) 11.417 2.198 ( -11.478 4.122 -5.743) 13.480 2.350 ( 2.213 5.879 3.065) 6.990 2.429 ( -1.640 5.395 -1.912) 5.955 2.472 ( 6.857 8.955 8.064) 13.865 2.591 ( -2.594 5.945 2.047) 6.802 2.650 ( 1.229 9.279 -0.556) 9.376 2.730 ( -4.619 7.235 -3.623) 9.317 2.901 ( 20.281 7.916 10.547) 24.191 3.050 ( 0.788 3.230 2.412) 4.107 3.075 ( -1.789 1.941 -1.502) 3.037 3.266 ( 18.892 7.937 -14.458) 25.079 3.456 ( -23.429 5.850 7.915) 25.413 3.627 ( -14.601 3.377 -6.164) 16.205 4.014 ( 4.301 -0.172 7.804) 8.912 4.097 ( -3.966 -1.253 1.016) 4.282 4.348 ( 0.094 -3.351 0.333) 3.369 4.384 ( -3.065 -3.226 -2.159) 4.945 4.697 ( -1.752 1.147 1.130) 2.380 4.717 ( -3.812 1.665 -0.044) 4.159 4.959 ( 0.895 -2.599 -1.315) 3.047 4.989 ( -1.931 -3.267 -3.459) 5.135 5.551 ( 2.458 -5.324 0.617) 5.896 5.557 ( 2.958 -5.179 0.415) 5.979 5.612 ( -1.030 -4.803 0.909) 4.996 5.626 ( -1.166 -1.986 -0.167) 2.309 5.678 ( -2.407 1.368 1.612) 3.204 5.706 ( -3.982 -0.069 -0.479) 4.012 5.884 ( 1.473 2.577 -0.253) 2.979 5.903 ( -0.249 4.317 -1.751) 4.666 6.184 ( 2.388 -3.870 1.683) 4.849 6.214 ( 0.056 -3.117 0.329) 3.135 6.246 ( -1.024 -2.814 -1.479) 3.340 6.258 ( -2.939 -3.484 -1.731) 4.876 6.445 ( 3.516 -1.543 0.796) 3.922 6.461 ( 2.648 -0.249 0.048) 2.661 6.503 ( -1.343 4.573 1.198) 4.914 6.517 ( -1.282 3.149 -0.547) 3.444 6.585 ( 3.624 0.172 1.083) 3.787 6.616 ( 0.351 1.265 -0.855) 1.567 6.879 ( 1.906 0.222 1.209) 2.268 6.897 ( 0.229 -0.968 -0.086) 0.998 6.963 ( 3.405 3.007 1.824) 4.895 7.004 ( 1.851 2.803 -0.566) 3.406 7.103 ( -3.381 7.559 -0.118) 8.281 7.170 ( -8.935 7.421 -4.444) 12.436 7.881 ( 2.483 -0.528 5.520) 6.075 7.942 ( -3.264 0.615 3.261) 4.654 8.143 ( 2.203 -1.195 -3.737) 4.500 8.193 ( -2.553 -0.467 -5.313) 5.913 9.046 ( 2.832 -4.943 1.038) 5.791 9.075 ( 1.372 -5.162 -1.234) 5.482 9.131 ( -0.765 -5.057 2.399) 5.649 9.151 ( -1.410 -5.364 0.481) 5.567 ======================= Grid point 105 (37/56) ======================= q-point: ( 0.00 0.17 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.000 22.685 9.260) 24.502 1.268 ( 0.000 22.680 9.387) 24.545 1.489 ( 0.000 16.375 -17.517) 23.979 1.531 ( 0.000 16.116 -13.622) 21.102 2.073 ( 0.000 10.510 11.098) 15.284 2.171 ( 0.000 7.763 7.523) 10.810 2.246 ( 0.000 24.843 14.495) 28.762 2.362 ( 0.000 12.248 5.119) 13.275 2.365 ( 0.000 4.897 -7.291) 8.783 2.696 ( 0.000 11.167 -12.494) 16.757 2.794 ( 0.000 7.820 -3.981) 8.775 2.825 ( 0.000 12.247 -9.320) 15.390 2.912 ( 0.000 6.603 0.025) 6.604 2.930 ( 0.000 8.114 0.724) 8.146 3.117 ( 0.000 19.697 2.973) 19.920 3.158 ( 0.000 23.262 0.529) 23.268 3.309 ( 0.000 7.576 -3.712) 8.436 3.376 ( 0.000 8.062 -6.893) 10.607 3.796 ( 0.000 0.924 14.421) 14.451 3.875 ( 0.000 -4.057 12.190) 12.848 3.974 ( 0.000 -3.765 -1.576) 4.082 4.076 ( 0.000 -9.169 -6.566) 11.278 4.379 ( 0.000 -11.577 -0.271) 11.580 4.393 ( 0.000 -11.454 -1.356) 11.534 4.952 ( 0.000 -4.041 0.821) 4.123 4.984 ( 0.000 -1.804 -1.881) 2.606 5.063 ( 0.000 -2.318 1.528) 2.776 5.134 ( 0.000 -2.394 -4.555) 5.146 5.227 ( 0.000 -4.221 2.526) 4.919 5.269 ( 0.000 -5.417 -1.115) 5.530 5.629 ( 0.000 -8.006 5.475) 9.699 5.704 ( 0.000 0.356 1.424) 1.468 5.743 ( 0.000 -1.658 -1.749) 2.410 5.765 ( 0.000 -5.509 -7.551) 9.347 5.891 ( 0.000 -0.344 2.031) 2.060 5.930 ( 0.000 1.202 -1.964) 2.303 6.072 ( 0.000 6.226 2.190) 6.600 6.106 ( 0.000 -1.129 1.112) 1.584 6.225 ( 0.000 -0.172 9.655) 9.657 6.320 ( 0.000 1.686 3.454) 3.844 6.396 ( 0.000 -5.625 -3.379) 6.562 6.426 ( 0.000 4.455 -7.967) 9.128 6.472 ( 0.000 3.339 -0.093) 3.340 6.550 ( 0.000 -0.274 -5.890) 5.897 6.635 ( 0.000 2.072 3.757) 4.291 6.684 ( 0.000 3.854 -0.137) 3.856 6.761 ( 0.000 1.166 2.500) 2.759 6.766 ( 0.000 0.949 0.421) 1.038 6.800 ( 0.000 -0.109 -0.912) 0.918 6.827 ( 0.000 1.399 -2.550) 2.909 7.357 ( 0.000 5.439 13.312) 14.380 7.663 ( 0.000 3.342 -14.564) 14.943 8.004 ( 0.000 -6.487 1.912) 6.763 8.048 ( 0.000 -5.895 -1.928) 6.202 8.263 ( 0.000 -1.391 9.463) 9.564 8.419 ( 0.000 -2.003 -4.742) 5.148 8.826 ( 0.000 -1.203 7.630) 7.724 8.884 ( 0.000 -9.885 1.305) 9.971 8.906 ( 0.000 -9.202 -0.992) 9.255 9.058 ( 0.000 -0.747 -12.056) 12.079 ======================= Grid point 106 (38/56) ======================= q-point: ( 0.14 0.17 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 5.899 20.237 9.592) 23.159 1.296 ( 5.644 20.787 9.386) 23.496 1.550 ( 4.828 14.558 -15.128) 21.543 1.576 ( 6.604 15.392 -15.468) 22.799 2.121 ( 3.508 6.440 10.194) 12.558 2.203 ( 2.558 6.753 5.719) 9.212 2.292 ( -0.269 4.740 4.892) 6.817 2.396 ( 9.693 21.913 5.174) 24.513 2.426 ( 4.368 13.179 0.617) 13.898 2.681 ( -2.110 7.445 -7.029) 10.454 2.763 ( -3.596 8.312 -1.527) 9.184 2.806 ( -2.887 9.751 -1.712) 10.312 2.875 ( -4.880 6.645 0.073) 8.244 2.948 ( 5.397 18.088 -11.478) 22.092 3.096 ( -2.138 16.888 1.890) 17.128 3.123 ( -3.449 23.167 -1.007) 23.444 3.242 ( -4.523 5.337 2.979) 7.603 3.396 ( -1.495 3.698 -8.855) 9.712 3.789 ( 0.222 3.257 11.399) 11.858 3.872 ( 0.982 -0.314 7.907) 7.974 3.964 ( -1.699 -3.890 1.613) 4.541 4.088 ( 0.709 -8.762 -5.638) 10.443 4.346 ( -2.868 -10.259 1.184) 10.718 4.386 ( -1.561 -9.901 -1.816) 10.187 4.906 ( -6.698 -2.246 0.037) 7.064 4.928 ( -3.388 -3.769 -2.034) 5.461 4.995 ( -3.129 -0.218 1.844) 3.639 5.041 ( -6.228 -0.801 -1.701) 6.506 5.306 ( 4.405 -3.726 1.214) 5.896 5.350 ( 5.599 -4.857 -2.893) 7.957 5.605 ( -2.417 -6.569 4.272) 8.200 5.677 ( -2.234 -3.230 -1.661) 4.264 5.751 ( 0.754 -2.194 -0.046) 2.321 5.789 ( 1.031 -2.009 -4.338) 4.890 5.906 ( -1.618 2.238 0.324) 2.781 5.917 ( 0.765 1.767 -0.372) 1.961 6.074 ( 1.535 1.765 5.788) 6.242 6.160 ( 4.638 -1.683 0.195) 4.938 6.198 ( -1.780 -2.262 7.452) 7.989 6.301 ( -1.225 2.812 2.016) 3.671 6.360 ( -5.059 -2.534 -6.341) 8.498 6.379 ( -2.530 -1.588 -4.108) 5.080 6.478 ( 0.919 2.479 -0.041) 2.644 6.543 ( 0.872 3.198 -5.290) 6.243 6.662 ( -0.461 3.368 2.570) 4.261 6.687 ( 1.224 2.331 -0.123) 2.636 6.776 ( 2.587 -0.421 2.798) 3.834 6.798 ( 3.128 1.576 1.038) 3.653 6.854 ( 3.015 0.359 -0.384) 3.060 6.890 ( 6.186 0.900 -4.220) 7.543 7.337 ( -1.944 4.767 12.548) 13.563 7.615 ( -5.370 2.077 -12.830) 14.063 7.957 ( -4.601 -4.198 3.662) 7.225 8.039 ( -0.497 -3.886 -3.671) 5.369 8.202 ( -4.916 -0.122 8.603) 9.909 8.359 ( -5.244 0.935 -5.199) 7.444 8.843 ( 1.557 -4.761 2.661) 5.672 8.879 ( 0.075 -7.982 0.133) 7.984 8.950 ( 3.264 -8.882 1.742) 9.622 9.052 ( -0.843 -3.998 -6.566) 7.734 ======================= Grid point 107 (39/56) ======================= q-point: ( 0.29 0.17 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 13.255 14.433 8.808) 21.485 1.485 ( 12.226 14.643 6.928) 20.295 1.689 ( 10.345 12.629 -11.521) 19.981 1.769 ( 12.523 11.148 -14.683) 22.287 2.171 ( -5.019 4.341 4.763) 8.168 2.194 ( 3.235 6.075 5.182) 8.615 2.323 ( 2.241 4.282 5.523) 7.339 2.455 ( -1.499 3.848 -6.488) 7.691 2.559 ( -2.950 10.593 0.928) 11.035 2.595 ( -6.486 9.251 -0.989) 11.341 2.655 ( -3.349 7.782 2.171) 8.746 2.756 ( -1.554 10.298 -2.787) 10.781 2.892 ( 10.976 20.607 7.645) 24.568 2.984 ( -4.688 14.202 1.266) 15.009 3.018 ( -5.941 13.269 0.832) 14.562 3.127 ( -0.447 4.289 -1.001) 4.427 3.191 ( 4.160 16.534 -5.467) 17.904 3.322 ( -2.070 6.502 -8.434) 10.849 3.807 ( 0.360 5.715 6.304) 8.516 3.860 ( -7.091 3.014 1.228) 7.802 3.950 ( 3.602 -0.165 6.042) 7.036 4.086 ( -0.961 -6.265 -5.774) 8.574 4.279 ( -3.491 -7.052 2.967) 8.409 4.336 ( -3.187 -7.680 -1.871) 8.523 4.787 ( -4.580 0.352 2.301) 5.137 4.854 ( -4.112 0.658 -3.351) 5.345 4.937 ( -3.569 0.202 0.510) 3.611 4.956 ( -1.914 -1.971 -1.006) 2.926 5.380 ( 3.566 -4.107 1.521) 5.648 5.428 ( 2.449 -3.566 -2.731) 5.116 5.551 ( -2.856 -4.855 3.023) 6.393 5.616 ( -3.994 -5.063 -2.823) 7.039 5.764 ( -3.105 0.279 -0.107) 3.119 5.774 ( 0.253 -0.513 -1.025) 1.173 5.858 ( -1.427 0.794 3.762) 4.101 5.935 ( 1.382 2.168 -3.369) 4.238 6.115 ( 1.290 -1.729 5.273) 5.697 6.191 ( -0.047 -2.923 5.649) 6.360 6.226 ( -1.380 -2.153 -3.624) 4.435 6.263 ( -2.072 0.378 -1.934) 2.860 6.311 ( 2.404 -1.985 -0.495) 3.156 6.365 ( 3.423 -2.439 -3.211) 5.289 6.513 ( 2.640 1.884 1.439) 3.548 6.579 ( 2.491 2.860 -3.142) 4.925 6.638 ( -1.799 3.929 1.982) 4.754 6.685 ( -1.435 3.247 -1.770) 3.967 6.835 ( 2.422 -1.831 1.524) 3.397 6.860 ( 2.619 1.107 -0.126) 2.846 6.924 ( 4.366 0.065 2.540) 5.051 7.002 ( 5.088 2.372 -4.691) 7.316 7.288 ( -3.221 3.919 8.008) 9.479 7.460 ( -9.947 1.885 -7.495) 12.596 7.875 ( -2.626 -0.553 6.469) 7.004 8.036 ( -0.770 0.078 -6.598) 6.643 8.108 ( -3.729 -0.611 6.718) 7.708 8.265 ( -4.185 1.801 -6.100) 7.614 8.871 ( 1.456 -7.748 1.257) 7.983 8.903 ( 2.070 -7.298 -0.933) 7.643 8.993 ( 0.865 -9.535 1.659) 9.717 9.026 ( -1.591 -7.310 -0.831) 7.527 ======================= Grid point 108 (40/56) ======================= q-point: ( 0.43 0.17 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 11.973 10.518 4.495) 16.559 1.740 ( 12.545 7.647 4.043) 15.238 1.905 ( 10.045 9.521 -1.559) 13.928 2.031 ( 13.641 7.516 -11.426) 19.316 2.071 ( -0.497 6.923 0.292) 6.947 2.155 ( -9.999 4.211 -2.253) 11.081 2.233 ( -14.134 7.581 -0.445) 16.045 2.310 ( -10.007 6.370 -3.639) 12.408 2.467 ( 1.850 6.056 3.623) 7.296 2.550 ( -0.891 6.378 -1.530) 6.619 2.674 ( 3.530 9.003 6.530) 11.669 2.732 ( -2.438 6.719 1.254) 7.257 2.893 ( -4.144 10.223 3.502) 11.573 2.905 ( -3.828 9.271 -0.099) 10.031 3.020 ( 2.286 5.326 0.522) 5.819 3.112 ( -5.961 4.925 -4.572) 8.983 3.301 ( 17.058 18.541 7.476) 26.280 3.506 ( 14.075 15.507 -10.716) 23.525 3.630 ( -15.198 10.896 5.275) 19.430 3.744 ( -8.944 8.527 -3.805) 12.930 4.021 ( 3.355 0.974 3.378) 4.859 4.067 ( -1.205 -1.641 -1.018) 2.276 4.244 ( 0.281 -6.514 1.900) 6.791 4.278 ( -2.689 -6.980 -1.041) 7.553 4.744 ( 0.017 3.340 2.660) 4.270 4.779 ( -3.323 4.488 0.380) 5.597 4.906 ( 0.122 -2.255 -1.651) 2.797 4.924 ( -1.471 -2.290 -2.607) 3.768 5.443 ( 2.744 -5.001 0.750) 5.754 5.458 ( 0.964 -3.942 -0.493) 4.088 5.509 ( -1.090 -4.446 1.570) 4.839 5.539 ( -3.626 -4.954 -1.040) 6.227 5.711 ( -1.465 1.224 1.804) 2.627 5.727 ( -2.914 1.321 1.226) 3.426 5.905 ( 4.140 -1.388 -0.404) 4.385 5.956 ( -0.354 0.448 -4.120) 4.160 6.125 ( 0.412 -1.477 2.591) 3.011 6.158 ( -2.641 -2.568 0.926) 3.798 6.184 ( -0.014 -1.924 -3.160) 3.700 6.217 ( -2.758 -0.608 -2.838) 4.004 6.413 ( 5.847 -2.192 2.607) 6.767 6.456 ( 2.940 -1.159 -0.453) 3.192 6.558 ( 1.306 1.501 4.110) 4.567 6.596 ( -1.752 2.220 2.078) 3.510 6.620 ( 1.194 3.069 -1.014) 3.446 6.651 ( -1.381 2.671 -2.391) 3.842 6.863 ( 1.115 -2.025 -0.645) 2.400 6.882 ( -0.291 -0.650 -1.661) 1.807 7.012 ( 4.490 2.029 2.989) 5.763 7.065 ( 0.468 3.367 -1.274) 3.630 7.231 ( -1.204 4.105 0.381) 4.294 7.289 ( -6.732 3.524 -3.765) 8.480 7.877 ( 2.666 0.354 7.633) 8.093 7.959 ( -5.344 1.063 5.158) 7.503 8.120 ( 3.199 -0.812 -5.644) 6.538 8.191 ( -3.825 0.274 -7.224) 8.179 8.904 ( 1.950 -8.708 2.038) 9.154 8.930 ( -0.010 -8.804 0.505) 8.818 8.989 ( -0.110 -8.775 0.458) 8.787 9.003 ( -1.039 -8.807 -0.220) 8.871 ======================= Grid point 112 (41/56) ======================= q-point: ( 0.00 0.25 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.000 20.949 5.331) 21.617 1.700 ( 0.000 19.333 3.563) 19.659 1.853 ( 0.000 18.879 -11.431) 22.070 1.860 ( 0.000 15.871 -7.400) 17.511 2.239 ( 0.000 8.157 8.200) 11.566 2.344 ( 0.000 8.884 3.787) 9.658 2.410 ( 0.000 5.442 2.326) 5.918 2.456 ( 0.000 4.591 -5.820) 7.413 2.761 ( 0.000 0.502 -0.536) 0.735 2.812 ( 0.000 6.610 -3.354) 7.412 2.935 ( 0.000 2.128 6.071) 6.433 3.025 ( 0.000 10.038 -1.815) 10.201 3.108 ( 0.000 22.474 4.702) 22.961 3.217 ( 0.000 8.226 0.392) 8.235 3.456 ( 0.000 13.653 -5.271) 14.635 3.504 ( 0.000 11.484 -3.090) 11.893 3.615 ( 0.000 17.780 -0.197) 17.781 3.634 ( 0.000 6.735 2.266) 7.106 3.736 ( 0.000 9.554 -0.615) 9.574 3.793 ( 0.000 -13.451 -4.174) 14.083 4.008 ( 0.000 2.378 4.956) 5.497 4.016 ( 0.000 14.275 5.622) 15.342 4.114 ( 0.000 -13.386 -1.598) 13.481 4.136 ( 0.000 -11.296 -2.010) 11.474 4.910 ( 0.000 -0.533 1.139) 1.257 4.943 ( 0.000 -2.310 -1.854) 2.963 5.050 ( 0.000 0.495 0.556) 0.744 5.081 ( 0.000 -3.083 -2.327) 3.862 5.171 ( 0.000 -0.739 1.264) 1.464 5.185 ( 0.000 -2.502 0.169) 2.507 5.478 ( 0.000 -5.882 5.436) 8.009 5.611 ( 0.000 -7.065 -6.147) 9.365 5.738 ( 0.000 2.669 0.080) 2.670 5.755 ( 0.000 0.847 -2.080) 2.245 5.873 ( 0.000 -1.323 2.336) 2.685 5.930 ( 0.000 -1.287 -2.591) 2.893 6.035 ( 0.000 -4.722 6.715) 8.209 6.147 ( 0.000 -0.119 -3.107) 3.110 6.202 ( 0.000 -0.975 6.579) 6.651 6.292 ( 0.000 -3.263 -1.440) 3.566 6.388 ( 0.000 2.608 -0.985) 2.788 6.436 ( 0.000 -2.738 -5.407) 6.061 6.518 ( 0.000 0.685 0.609) 0.917 6.532 ( 0.000 -1.684 -0.407) 1.732 6.657 ( 0.000 0.398 2.379) 2.412 6.703 ( 0.000 -1.293 -1.008) 1.640 6.788 ( 0.000 1.522 1.128) 1.895 6.813 ( 0.000 1.402 1.831) 2.306 6.841 ( 0.000 3.800 -2.111) 4.347 6.852 ( 0.000 2.117 -3.886) 4.425 7.464 ( 0.000 4.662 11.186) 12.118 7.701 ( 0.000 -0.887 -9.720) 9.760 7.899 ( 0.000 -2.418 0.418) 2.454 7.938 ( 0.000 -4.246 -2.518) 4.937 8.233 ( 0.000 -1.327 6.873) 7.000 8.361 ( 0.000 -3.300 -4.692) 5.737 8.668 ( 0.000 -10.995 1.475) 11.094 8.697 ( 0.000 -10.804 -1.075) 10.857 8.787 ( 0.000 -2.721 9.145) 9.542 8.997 ( 0.000 -4.930 -8.889) 10.165 ======================= Grid point 113 (42/56) ======================= q-point: ( 0.14 0.25 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 2.186 19.274 4.789) 19.980 1.702 ( 2.049 18.528 4.666) 19.216 1.861 ( 1.992 15.519 -8.115) 17.626 1.907 ( 4.420 16.822 -10.679) 20.410 2.268 ( 2.846 7.954 7.120) 11.048 2.338 ( -1.606 6.419 1.717) 6.836 2.404 ( 0.766 6.611 4.417) 7.987 2.495 ( 2.795 4.321 -6.642) 8.402 2.746 ( -1.103 1.873 1.096) 2.434 2.820 ( 0.092 5.655 -3.534) 6.669 2.874 ( -6.137 2.807 5.689) 8.827 2.991 ( -3.830 5.889 -4.743) 8.476 3.171 ( 4.669 20.522 6.259) 21.958 3.213 ( 0.437 7.528 4.270) 8.666 3.386 ( -9.621 8.616 -1.540) 13.006 3.418 ( -6.332 9.205 -4.317) 11.978 3.555 ( -3.937 15.510 1.925) 16.117 3.618 ( 0.462 20.487 -5.803) 21.298 3.784 ( 4.917 -4.695 0.349) 6.808 3.854 ( 4.382 -4.042 -3.867) 7.106 3.996 ( -0.189 10.249 4.565) 11.222 4.038 ( 0.157 8.907 2.268) 9.193 4.118 ( 1.842 -11.090 1.846) 11.392 4.174 ( 1.881 -9.186 -1.747) 9.538 4.859 ( -4.994 -2.051 1.308) 5.555 4.892 ( -2.235 0.016 -1.520) 2.703 5.006 ( -2.705 1.260 1.840) 3.506 5.059 ( -2.602 2.174 -2.711) 4.341 5.245 ( 4.316 -2.231 0.562) 4.891 5.260 ( 6.600 -3.738 -0.848) 7.632 5.479 ( 0.024 -5.273 4.607) 7.002 5.585 ( -2.602 -5.447 -4.645) 7.617 5.736 ( -0.171 0.997 0.615) 1.184 5.767 ( 0.853 -0.210 -2.663) 2.805 5.915 ( 3.168 -0.782 1.177) 3.469 5.932 ( -0.194 -0.764 0.012) 0.789 6.063 ( 2.538 -4.294 6.663) 8.323 6.115 ( -3.743 -0.142 3.947) 5.442 6.188 ( 1.096 0.021 -1.375) 1.759 6.237 ( -4.285 -5.456 -3.814) 7.917 6.361 ( -3.547 1.203 -1.253) 3.950 6.385 ( -3.463 0.403 -3.054) 4.635 6.520 ( 0.536 0.591 0.316) 0.858 6.556 ( 2.166 -2.221 -1.925) 3.651 6.684 ( 0.424 -0.519 2.418) 2.509 6.713 ( 1.702 0.115 -1.063) 2.010 6.775 ( 0.062 0.518 3.723) 3.759 6.850 ( 3.576 2.242 1.799) 4.588 6.853 ( 0.396 -0.057 -1.563) 1.613 6.921 ( 6.084 2.445 -6.038) 8.913 7.432 ( -3.137 4.249 9.868) 11.192 7.631 ( -6.532 -0.814 -8.140) 10.468 7.884 ( -1.173 -2.063 2.733) 3.620 7.971 ( 2.567 -2.406 -4.543) 5.746 8.196 ( -3.542 -0.377 7.396) 8.209 8.341 ( -2.136 -2.096 -5.487) 6.250 8.673 ( 0.560 -10.660 1.820) 10.829 8.707 ( 1.034 -9.767 -0.924) 9.865 8.791 ( 0.176 -5.823 7.028) 9.128 8.957 ( -3.792 -5.687 -7.077) 9.839 ======================= Grid point 114 (43/56) ======================= q-point: ( 0.29 0.25 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 6.367 14.551 5.810) 16.912 1.795 ( 6.521 14.796 2.432) 16.351 1.952 ( 7.648 12.982 -5.991) 16.215 2.025 ( 7.735 13.557 -10.293) 18.697 2.279 ( -4.214 5.863 3.136) 7.872 2.326 ( 1.371 6.581 0.834) 6.773 2.421 ( 1.193 5.432 3.987) 6.843 2.534 ( -0.278 3.998 -5.579) 6.870 2.692 ( -7.230 4.381 1.639) 8.611 2.748 ( -9.185 5.044 -2.848) 10.859 2.774 ( 1.819 4.142 8.475) 9.607 2.940 ( -2.003 7.817 -2.605) 8.480 3.105 ( -6.283 0.722 4.378) 7.692 3.167 ( -11.344 1.335 -1.080) 11.473 3.246 ( -8.243 6.980 -0.672) 10.822 3.329 ( 2.308 15.070 -2.380) 15.430 3.539 ( 4.651 22.179 5.601) 23.344 3.705 ( 7.489 22.112 -8.869) 24.973 3.874 ( 3.948 -3.370 1.994) 5.561 3.946 ( 4.216 -2.945 -1.848) 5.465 3.993 ( 0.151 11.534 1.589) 11.643 4.027 ( -0.884 6.466 0.124) 6.527 4.151 ( 0.705 -3.997 2.433) 4.732 4.182 ( -1.163 -5.670 -0.283) 5.795 4.795 ( -1.280 0.446 2.648) 2.975 4.862 ( -0.455 0.820 -3.313) 3.443 4.966 ( -1.851 2.630 1.485) 3.543 4.989 ( -4.550 4.452 -0.643) 6.399 5.315 ( 3.135 -2.154 1.632) 4.139 5.365 ( 3.634 -2.590 -2.941) 5.345 5.477 ( -0.449 -3.044 2.103) 3.727 5.522 ( -3.638 -3.707 -2.013) 5.571 5.739 ( 0.483 -1.673 0.656) 1.860 5.763 ( -1.217 -0.638 -1.625) 2.128 5.862 ( -5.395 -0.888 4.891) 7.336 5.963 ( -0.123 0.220 -3.745) 3.754 6.091 ( 1.833 -0.374 2.197) 2.885 6.118 ( 1.831 -3.818 4.601) 6.253 6.163 ( -0.933 -3.329 -1.905) 3.947 6.250 ( 0.677 -2.061 -3.651) 4.247 6.292 ( 0.263 0.020 1.151) 1.181 6.345 ( 0.002 0.421 -2.184) 2.224 6.545 ( 2.117 0.265 1.195) 2.445 6.598 ( 1.860 -1.421 -2.257) 3.252 6.665 ( -2.012 -1.204 2.373) 3.336 6.721 ( -1.385 -0.211 -2.495) 2.861 6.790 ( 0.850 -2.382 3.594) 4.395 6.862 ( 0.203 -1.500 -2.594) 3.003 6.942 ( 5.935 2.432 3.476) 7.295 7.047 ( 6.574 2.120 -6.318) 9.361 7.357 ( -4.401 3.319 6.164) 8.270 7.479 ( -8.719 0.475 -4.922) 10.024 7.868 ( 0.029 0.299 6.167) 6.174 8.023 ( 2.588 -0.876 -6.884) 7.406 8.112 ( -4.723 0.729 7.870) 9.208 8.282 ( -3.868 -0.159 -6.941) 7.948 8.688 ( 0.929 -10.037 2.765) 10.452 8.731 ( 1.260 -9.230 -0.532) 9.331 8.787 ( -0.569 -10.076 3.210) 10.590 8.874 ( -4.284 -7.841 -3.661) 9.656 ======================= Grid point 115 (44/56) ======================= q-point: ( 0.43 0.25 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 9.845 8.667 3.929) 13.692 1.927 ( 6.247 10.291 2.070) 12.215 2.108 ( 4.946 9.984 -0.746) 11.167 2.185 ( 4.808 7.197 -7.059) 11.169 2.216 ( 2.310 7.135 -0.472) 7.514 2.260 ( -3.021 6.127 -3.092) 7.498 2.379 ( -11.257 6.625 -0.242) 13.064 2.435 ( -7.932 5.445 -2.857) 10.036 2.602 ( 2.143 7.187 3.234) 8.167 2.682 ( 2.351 6.313 -2.667) 7.245 2.811 ( -6.232 5.217 4.283) 9.187 2.846 ( -0.628 4.974 3.990) 6.408 2.958 ( -3.422 0.707 4.669) 5.832 3.044 ( -6.240 2.740 9.456) 11.656 3.182 ( 3.404 7.696 -9.873) 12.973 3.279 ( -5.237 8.755 -8.715) 13.417 3.712 ( 10.163 19.850 6.350) 23.187 3.842 ( 2.480 12.437 -1.302) 12.748 3.886 ( -0.048 16.583 -0.394) 16.588 3.973 ( -3.780 13.311 -3.298) 14.225 4.004 ( 3.783 -4.167 1.742) 5.891 4.046 ( 1.157 0.532 -1.148) 1.715 4.136 ( -1.353 -3.271 1.647) 3.905 4.149 ( -1.614 -2.196 0.359) 2.749 4.812 ( 2.938 2.748 2.739) 4.867 4.879 ( 1.568 0.703 -2.827) 3.308 4.894 ( -4.571 5.712 1.295) 7.429 4.926 ( -2.406 3.059 -1.097) 4.043 5.373 ( 3.189 -1.761 1.526) 3.949 5.407 ( 1.231 -0.933 -1.402) 2.086 5.448 ( -2.512 -1.666 0.566) 3.067 5.457 ( -2.638 -2.888 -0.341) 3.927 5.717 ( -0.990 -0.573 1.731) 2.075 5.737 ( -2.816 -0.359 1.255) 3.103 5.837 ( 4.014 -4.412 0.317) 5.973 5.924 ( -3.846 -3.394 -5.802) 7.745 6.112 ( 0.625 0.229 1.561) 1.697 6.130 ( 0.024 -0.429 2.425) 2.463 6.173 ( 0.884 0.577 -2.385) 2.608 6.213 ( -2.434 -0.204 -3.655) 4.396 6.363 ( 5.494 -2.397 3.858) 7.129 6.411 ( 3.039 -2.891 0.289) 4.204 6.561 ( -0.900 -1.828 5.865) 6.209 6.604 ( -2.750 -1.373 2.221) 3.793 6.642 ( 2.115 -1.289 -1.551) 2.922 6.693 ( -1.536 0.312 -4.923) 5.166 6.804 ( 1.550 -3.943 -0.464) 4.262 6.847 ( -1.938 -3.219 -3.485) 5.125 7.066 ( 6.621 3.651 3.641) 8.392 7.142 ( 1.479 4.262 -2.798) 5.309 7.277 ( -2.311 1.343 1.164) 2.915 7.331 ( -6.086 1.548 -2.846) 6.894 7.899 ( 3.333 1.756 7.789) 8.653 7.987 ( -5.292 1.679 6.025) 8.193 8.111 ( 4.015 -0.185 -5.857) 7.103 8.198 ( -4.726 0.297 -7.711) 9.048 8.709 ( 1.365 -10.165 3.347) 10.788 8.736 ( -1.062 -9.856 2.598) 10.248 8.784 ( 0.703 -11.067 -1.200) 11.154 8.811 ( -2.222 -9.988 -2.000) 10.425 ======================= Grid point 119 (45/56) ======================= q-point: ( 0.00 0.33 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 0.000 15.928 2.324) 16.096 2.038 ( 0.000 14.088 0.293) 14.091 2.164 ( 0.000 14.273 -1.419) 14.343 2.224 ( 0.000 17.034 -7.591) 18.649 2.405 ( 0.000 7.839 4.739) 9.160 2.502 ( 0.000 5.983 -2.573) 6.513 2.519 ( 0.000 5.072 2.232) 5.542 2.560 ( 0.000 5.568 -2.131) 5.962 2.756 ( 0.000 -0.591 1.753) 1.850 2.842 ( 0.000 -0.875 -4.922) 4.999 2.961 ( 0.000 0.594 8.144) 8.166 3.113 ( 0.000 2.143 -5.725) 6.113 3.196 ( 0.000 -5.913 12.009) 13.386 3.451 ( 0.000 -5.275 -8.331) 9.861 3.524 ( 0.000 -4.100 -1.656) 4.422 3.525 ( 0.000 -4.298 -0.122) 4.299 3.695 ( 0.000 -4.544 0.605) 4.584 3.746 ( 0.000 -4.705 -3.204) 5.693 3.809 ( 0.000 11.244 7.216) 13.361 3.913 ( 0.000 8.373 -0.955) 8.428 4.017 ( 0.000 10.068 -0.047) 10.068 4.056 ( 0.000 12.371 -4.196) 13.063 4.299 ( 0.000 18.473 6.439) 19.563 4.409 ( 0.000 20.068 -3.399) 20.353 4.901 ( 0.000 -1.628 1.140) 1.987 4.913 ( 0.000 0.279 1.011) 1.049 5.021 ( 0.000 -2.093 -0.643) 2.190 5.052 ( 0.000 -0.478 -1.919) 1.977 5.159 ( 0.000 -0.312 1.867) 1.893 5.199 ( 0.000 2.604 -1.895) 3.221 5.412 ( 0.000 -0.618 3.262) 3.320 5.492 ( 0.000 -4.184 -3.843) 5.681 5.775 ( 0.000 0.578 0.688) 0.899 5.800 ( 0.000 2.979 -1.389) 3.287 5.843 ( 0.000 -1.709 1.885) 2.544 5.870 ( 0.000 -3.866 0.670) 3.923 5.967 ( 0.000 -1.977 2.785) 3.415 6.069 ( 0.000 -5.448 -5.490) 7.734 6.185 ( 0.000 -0.416 4.487) 4.506 6.266 ( 0.000 -1.260 -0.863) 1.527 6.379 ( 0.000 -1.688 -0.756) 1.849 6.399 ( 0.000 -1.618 -1.707) 2.352 6.466 ( 0.000 -4.487 1.867) 4.860 6.502 ( 0.000 -1.628 -0.466) 1.693 6.663 ( 0.000 -0.022 -0.191) 0.193 6.665 ( 0.000 -1.973 -0.180) 1.981 6.820 ( 0.000 1.389 1.932) 2.380 6.846 ( 0.000 1.732 2.141) 2.754 6.847 ( 0.000 -0.367 -0.020) 0.367 6.937 ( 0.000 3.033 -6.251) 6.948 7.530 ( 0.000 1.823 6.257) 6.517 7.637 ( 0.000 -3.801 -3.153) 4.938 7.892 ( 0.000 -0.331 -0.917) 0.975 7.904 ( 0.000 1.454 -2.142) 2.589 8.216 ( 0.000 -0.312 3.969) 3.982 8.300 ( 0.000 -2.491 -3.535) 4.325 8.459 ( 0.000 -9.104 1.407) 9.212 8.488 ( 0.000 -9.371 -1.082) 9.434 8.718 ( 0.000 -3.861 7.201) 8.171 8.873 ( 0.000 -6.961 -6.153) 9.291 ======================= Grid point 120 (46/56) ======================= q-point: ( 0.14 0.33 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -1.481 14.160 1.656) 14.333 2.026 ( 0.070 13.214 0.621) 13.229 2.164 ( 0.745 14.504 -0.516) 14.532 2.238 ( 1.786 15.272 -7.034) 16.908 2.428 ( 1.799 6.953 2.502) 7.605 2.455 ( -2.768 5.170 0.386) 5.877 2.537 ( -0.292 5.714 1.111) 5.828 2.586 ( 2.315 4.440 -4.179) 6.522 2.762 ( 1.004 0.108 3.748) 3.882 2.838 ( -2.357 -1.934 -0.875) 3.172 2.929 ( -2.348 2.517 4.210) 5.438 3.060 ( -3.627 0.154 -5.467) 6.563 3.188 ( -1.659 -1.576 8.831) 9.123 3.370 ( -8.414 -3.090 -3.723) 9.706 3.444 ( -7.763 -5.556 1.442) 9.655 3.529 ( -1.279 -2.806 -7.902) 8.482 3.664 ( -0.142 -5.098 4.872) 7.053 3.772 ( 3.835 -5.686 -4.744) 8.339 3.854 ( 4.532 15.278 6.553) 17.231 3.964 ( 4.798 12.051 -2.086) 13.138 4.066 ( 4.451 7.846 1.140) 9.092 4.113 ( 3.506 6.657 -3.357) 8.239 4.284 ( -1.147 17.688 5.878) 18.674 4.391 ( -1.793 19.578 -3.553) 19.978 4.837 ( -2.951 -0.129 3.267) 4.405 4.912 ( -1.319 1.644 -3.178) 3.813 5.037 ( 0.367 1.227 1.700) 2.128 5.092 ( 2.991 0.069 -3.340) 4.483 5.211 ( 3.839 -1.001 0.937) 4.077 5.221 ( 3.379 0.508 0.335) 3.433 5.412 ( 0.038 -1.185 2.771) 3.014 5.482 ( -0.950 -4.161 -3.350) 5.425 5.768 ( -0.931 0.610 0.067) 1.115 5.779 ( -1.631 2.031 -0.791) 2.723 5.874 ( 0.124 -3.864 2.229) 4.463 5.890 ( 3.573 -2.153 0.873) 4.262 5.997 ( 2.683 -1.988 3.729) 5.006 6.077 ( 0.435 -4.446 -2.957) 5.357 6.143 ( -2.980 -0.210 1.662) 3.418 6.210 ( -3.469 -0.514 -3.202) 4.749 6.348 ( -3.583 -1.089 0.687) 3.807 6.394 ( -0.788 -0.653 -2.594) 2.789 6.485 ( 1.600 -3.966 0.499) 4.306 6.492 ( 0.208 -2.630 0.147) 2.643 6.654 ( -0.987 -2.117 1.983) 3.064 6.690 ( 0.988 -2.159 -1.344) 2.729 6.791 ( -2.509 0.724 3.094) 4.048 6.840 ( -0.372 -0.638 -0.490) 0.886 6.897 ( 4.338 2.111 1.132) 4.955 6.973 ( 4.077 2.079 -6.109) 7.633 7.500 ( -2.906 2.488 5.460) 6.667 7.593 ( -4.184 -2.155 -2.866) 5.510 7.879 ( -0.174 1.077 1.618) 1.952 7.946 ( 2.909 -0.307 -3.776) 4.777 8.193 ( -2.252 0.275 4.632) 5.158 8.294 ( -0.716 -2.157 -4.378) 4.933 8.469 ( 0.913 -9.040 1.826) 9.267 8.502 ( 1.329 -9.549 -1.211) 9.717 8.685 ( -3.276 -4.970 6.463) 8.786 8.824 ( -4.884 -7.261 -5.517) 10.345 ======================= Grid point 121 (47/56) ======================= q-point: ( 0.29 0.33 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 0.710 10.658 3.106) 11.124 2.044 ( 1.856 9.269 -1.432) 9.561 2.214 ( 4.370 12.833 0.590) 13.569 2.292 ( 3.569 12.170 -6.062) 14.057 2.389 ( -3.751 4.491 1.476) 6.035 2.433 ( -3.356 3.236 -2.435) 5.259 2.542 ( 1.866 5.965 2.885) 6.884 2.607 ( -1.748 2.874 -3.285) 4.702 2.750 ( -3.120 1.192 2.400) 4.113 2.771 ( -3.079 -0.472 0.664) 3.185 2.875 ( -0.109 5.131 6.626) 8.381 3.062 ( 2.476 1.975 -7.077) 7.753 3.117 ( -5.960 2.846 4.883) 8.214 3.168 ( -11.542 0.161 -0.846) 11.574 3.270 ( -7.741 -3.339 2.296) 8.738 3.468 ( -4.733 -2.450 -12.303) 13.408 3.729 ( 5.932 -5.587 8.634) 11.872 3.883 ( 6.691 -4.426 -5.358) 9.647 3.954 ( 4.839 14.333 8.179) 17.198 4.074 ( 5.424 9.550 1.065) 11.034 4.126 ( 0.335 9.872 -1.878) 10.054 4.152 ( 2.163 4.297 -1.476) 5.032 4.276 ( 0.169 14.692 2.271) 14.868 4.346 ( -2.673 17.945 -3.313) 18.443 4.816 ( 0.912 1.911 3.311) 3.930 4.900 ( 0.379 2.787 -4.122) 4.990 5.040 ( -0.394 4.185 2.617) 4.952 5.095 ( -2.067 5.440 -2.359) 6.279 5.288 ( 3.502 -0.898 1.270) 3.832 5.314 ( 5.116 -2.669 -1.053) 5.865 5.419 ( 0.869 -1.875 2.047) 2.909 5.466 ( -0.475 -2.500 -2.012) 3.244 5.725 ( -2.636 0.256 0.858) 2.784 5.752 ( -1.844 -0.296 -1.475) 2.380 5.822 ( -5.115 -2.668 4.369) 7.236 5.927 ( -2.175 -3.733 -4.102) 5.957 6.055 ( 3.336 -2.153 4.557) 6.044 6.101 ( 2.714 -1.201 -0.421) 2.998 6.110 ( 1.830 0.572 1.542) 2.461 6.213 ( 1.881 -1.174 -4.499) 5.016 6.299 ( -0.129 0.537 1.912) 1.990 6.356 ( -2.457 0.348 -2.275) 3.367 6.505 ( 1.575 -3.933 0.392) 4.255 6.531 ( 1.842 -4.564 -1.291) 5.088 6.613 ( -2.970 -3.241 2.464) 5.039 6.673 ( -2.554 -3.827 -1.749) 4.922 6.743 ( -2.328 -2.306 2.930) 4.396 6.816 ( -2.258 -2.721 -2.906) 4.577 7.007 ( 7.024 3.562 2.313) 8.208 7.089 ( 7.417 2.031 -5.263) 9.318 7.427 ( -4.743 3.415 3.810) 6.977 7.492 ( -6.073 0.896 -1.778) 6.391 7.890 ( 1.502 1.711 4.402) 4.956 8.007 ( 3.414 -0.708 -5.302) 6.345 8.133 ( -3.829 1.449 5.922) 7.200 8.266 ( -2.376 -1.115 -5.889) 6.448 8.489 ( 1.089 -8.964 2.573) 9.389 8.532 ( 1.593 -9.940 -1.383) 10.162 8.609 ( -4.169 -7.570 4.614) 9.796 8.708 ( -6.493 -8.455 -3.898) 11.351 ======================= Grid point 122 (48/56) ======================= q-point: ( 0.43 0.33 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 5.275 5.523 3.350) 8.340 2.095 ( 2.189 5.434 -0.322) 5.867 2.273 ( -2.028 4.242 -0.085) 4.703 2.291 ( -4.942 3.948 -0.803) 6.376 2.361 ( 4.407 7.225 0.108) 8.463 2.403 ( 4.242 7.572 -3.368) 9.310 2.498 ( -7.182 4.887 -1.772) 8.866 2.520 ( -5.961 3.506 -2.767) 7.448 2.751 ( 5.114 7.133 2.325) 9.079 2.791 ( 5.224 4.346 -0.661) 6.828 2.917 ( -3.490 4.417 4.090) 6.959 2.942 ( -7.624 4.816 2.151) 9.271 2.991 ( -2.246 3.565 4.049) 5.844 3.063 ( -4.258 -0.163 7.422) 8.558 3.249 ( 4.805 -0.760 -10.155) 11.260 3.362 ( -6.123 -1.510 -12.897) 14.357 3.856 ( 6.779 -2.560 9.486) 11.937 3.961 ( -2.620 1.935 7.170) 7.875 4.015 ( 4.502 -0.046 -1.145) 4.645 4.084 ( -1.895 5.293 0.705) 5.666 4.189 ( 3.091 9.488 -2.195) 10.218 4.193 ( 2.348 9.807 -1.663) 10.220 4.271 ( -0.388 14.750 -0.861) 14.780 4.297 ( -2.458 16.161 -2.512) 16.539 4.866 ( 3.794 3.311 2.317) 5.543 4.915 ( -0.003 3.354 -1.821) 3.817 5.016 ( -1.160 5.989 0.973) 6.177 5.042 ( -2.926 6.920 -1.015) 7.582 5.349 ( 2.967 -1.359 1.465) 3.577 5.377 ( 1.127 -3.052 -0.776) 3.345 5.431 ( 0.571 1.346 0.871) 1.702 5.459 ( -1.148 1.682 -1.406) 2.475 5.693 ( -0.537 -1.692 1.118) 2.098 5.715 ( -2.606 -1.627 0.196) 3.078 5.754 ( 1.233 -3.418 1.718) 4.019 5.836 ( -5.642 -4.782 -4.327) 8.569 6.118 ( 2.892 -0.068 1.870) 3.445 6.141 ( 0.841 1.599 -0.139) 1.812 6.188 ( 3.172 0.293 0.016) 3.186 6.216 ( -0.763 1.220 -2.462) 2.851 6.327 ( 1.780 -1.023 2.536) 3.263 6.357 ( 2.033 -2.056 0.652) 2.964 6.490 ( -1.633 -4.550 5.371) 7.227 6.543 ( -4.816 -4.116 1.670) 6.552 6.581 ( 3.968 -4.255 -2.186) 6.215 6.647 ( -1.298 -4.502 -5.386) 7.138 6.707 ( 0.210 -5.318 0.360) 5.334 6.759 ( -3.497 -5.051 -3.719) 7.181 7.153 ( 7.888 4.649 3.130) 9.676 7.227 ( 5.682 3.764 -3.365) 7.601 7.319 ( -5.527 3.106 2.568) 6.840 7.374 ( -6.134 2.706 -1.885) 6.964 7.941 ( 3.788 2.240 5.999) 7.440 8.024 ( -3.921 1.892 4.141) 6.009 8.109 ( 3.819 -0.013 -3.842) 5.417 8.199 ( -4.560 -0.135 -6.612) 8.033 8.508 ( 1.059 -9.315 3.084) 9.869 8.542 ( -2.648 -9.511 3.078) 10.341 8.561 ( 1.582 -10.124 -1.549) 10.363 8.606 ( -3.652 -10.012 -2.333) 10.910 ======================= Grid point 126 (49/56) ======================= q-point: ( 0.00 0.42 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 0.000 10.380 0.502) 10.392 2.277 ( 0.000 9.800 -0.131) 9.800 2.429 ( 0.000 9.986 0.970) 10.033 2.500 ( 0.000 7.413 -5.378) 9.158 2.531 ( 0.000 4.628 2.965) 5.497 2.582 ( 0.000 2.599 -1.513) 3.008 2.607 ( 0.000 3.491 0.921) 3.610 2.634 ( 0.000 1.460 -1.944) 2.431 2.787 ( 0.000 4.848 0.411) 4.866 2.812 ( 0.000 -1.195 -1.696) 2.075 2.962 ( 0.000 -0.280 6.265) 6.272 3.058 ( 0.000 -6.487 10.001) 11.921 3.089 ( 0.000 -5.239 -5.860) 7.860 3.248 ( 0.000 -8.885 -4.127) 9.797 3.443 ( 0.000 -6.884 -0.030) 6.884 3.466 ( 0.000 -1.721 -1.845) 2.523 3.515 ( 0.000 -3.904 -1.755) 4.280 3.536 ( 0.000 -9.046 -1.603) 9.187 4.106 ( 0.000 10.118 8.239) 13.048 4.150 ( 0.000 7.966 4.031) 8.928 4.239 ( 0.000 10.203 -3.654) 10.837 4.263 ( 0.000 8.393 -5.710) 10.151 4.646 ( 0.000 13.480 3.771) 13.998 4.727 ( 0.000 10.261 -3.216) 10.753 4.882 ( 0.000 -0.258 3.427) 3.437 4.897 ( 0.000 -1.712 3.782) 4.151 5.016 ( 0.000 1.025 -4.307) 4.427 5.037 ( 0.000 -0.808 -3.775) 3.861 5.171 ( 0.000 1.395 1.967) 2.411 5.230 ( 0.000 -0.192 -4.308) 4.313 5.433 ( 0.000 1.910 2.669) 3.282 5.456 ( 0.000 0.350 1.374) 1.417 5.748 ( 0.000 -2.276 2.365) 3.282 5.796 ( 0.000 -2.928 -0.600) 2.989 5.839 ( 0.000 0.592 -0.483) 0.764 5.844 ( 0.000 1.202 -1.888) 2.238 5.938 ( 0.000 -0.871 1.290) 1.557 5.977 ( 0.000 -3.213 -2.203) 3.895 6.192 ( 0.000 0.954 2.159) 2.360 6.232 ( 0.000 -1.396 -0.624) 1.529 6.346 ( 0.000 -2.589 0.812) 2.713 6.370 ( 0.000 -0.229 -1.012) 1.037 6.375 ( 0.000 -3.247 3.305) 4.633 6.460 ( 0.000 -2.685 -3.319) 4.269 6.637 ( 0.000 -0.574 0.773) 0.963 6.653 ( 0.000 -0.761 -0.465) 0.892 6.841 ( 0.000 -0.032 0.959) 0.959 6.843 ( 0.000 0.698 2.111) 2.224 6.881 ( 0.000 1.933 0.389) 1.972 6.961 ( 0.000 -0.548 -5.159) 5.188 7.550 ( 0.000 0.446 1.711) 1.769 7.580 ( 0.000 -1.753 -1.087) 2.062 7.907 ( 0.000 1.284 0.724) 1.474 7.927 ( 0.000 0.618 -0.837) 1.040 8.222 ( 0.000 0.907 1.743) 1.965 8.263 ( 0.000 -1.159 -1.822) 2.160 8.314 ( 0.000 -5.066 0.928) 5.150 8.331 ( 0.000 -5.863 -0.650) 5.899 8.648 ( 0.000 -2.501 3.802) 4.551 8.733 ( 0.000 -6.312 -3.482) 7.209 ======================= Grid point 127 (50/56) ======================= q-point: ( 0.14 0.42 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -3.360 9.637 0.268) 10.209 2.244 ( -2.830 8.948 -0.047) 9.385 2.434 ( 0.662 9.990 1.439) 10.115 2.485 ( -1.733 6.791 -1.075) 7.090 2.510 ( -1.957 0.103 -1.414) 2.416 2.531 ( -3.461 3.617 -1.090) 5.123 2.623 ( 0.419 3.064 0.925) 3.228 2.653 ( 1.040 1.331 -1.865) 2.516 2.787 ( -0.230 3.367 -0.189) 3.381 2.789 ( -1.949 -1.502 -0.261) 2.474 2.968 ( -0.490 1.212 4.679) 4.858 3.014 ( -0.188 -2.233 0.285) 2.259 3.124 ( 1.016 -6.175 3.241) 7.048 3.269 ( 1.151 -6.966 -4.043) 8.136 3.355 ( -6.382 -4.278 1.334) 7.798 3.402 ( -5.669 -1.606 -3.468) 6.837 3.559 ( 3.113 -4.495 0.188) 5.471 3.609 ( 7.084 -6.822 -3.020) 10.288 4.124 ( 1.209 7.919 8.328) 11.555 4.164 ( 0.927 5.859 4.005) 7.157 4.255 ( 1.823 10.076 -3.150) 10.713 4.297 ( 3.234 8.338 -6.082) 10.815 4.627 ( -1.887 14.024 4.010) 14.708 4.713 ( -1.838 10.905 -3.396) 11.569 4.853 ( -0.697 1.623 4.112) 4.475 4.935 ( 1.139 -0.463 -1.661) 2.066 5.034 ( 3.391 -0.406 -0.412) 3.440 5.083 ( 3.871 -0.764 -3.388) 5.200 5.205 ( 3.189 0.566 1.776) 3.694 5.250 ( 2.040 0.504 -2.955) 3.626 5.418 ( -1.422 1.178 2.060) 2.767 5.435 ( -1.871 -0.196 1.015) 2.138 5.756 ( 0.352 -1.446 2.414) 2.836 5.807 ( -0.584 -1.775 -1.631) 2.481 5.820 ( -1.707 0.480 0.013) 1.774 5.843 ( 0.703 -1.708 -0.811) 2.017 5.968 ( 2.656 -0.918 2.275) 3.616 5.999 ( 2.092 -2.767 -0.505) 3.506 6.162 ( -2.173 1.293 0.128) 2.532 6.194 ( -2.257 -0.699 -2.744) 3.621 6.326 ( -1.490 -0.936 2.408) 2.983 6.374 ( 0.076 -0.199 -1.549) 1.564 6.399 ( 1.727 -3.974 2.040) 4.789 6.450 ( -0.978 -2.139 -2.142) 3.181 6.613 ( -2.386 -1.352 1.335) 3.050 6.643 ( -1.482 -2.120 -1.259) 2.877 6.803 ( -3.948 0.556 2.062) 4.489 6.827 ( -1.964 -0.639 0.124) 2.069 6.939 ( 5.496 1.957 0.440) 5.851 6.993 ( 4.207 -0.096 -4.386) 6.078 7.535 ( -1.568 1.072 1.953) 2.725 7.562 ( -1.843 -0.934 -0.493) 2.124 7.910 ( 0.409 1.648 1.134) 2.042 7.944 ( 1.732 -0.084 -1.749) 2.463 8.211 ( -1.153 1.471 2.075) 2.793 8.260 ( -0.362 -1.135 -2.229) 2.527 8.323 ( 0.891 -5.160 1.014) 5.334 8.339 ( 0.722 -6.256 -0.505) 6.318 8.599 ( -4.908 -3.019 3.595) 6.792 8.679 ( -5.405 -6.462 -3.303) 9.048 ======================= Grid point 128 (51/56) ======================= q-point: ( 0.29 0.42 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -3.491 7.659 1.069) 8.485 2.186 ( -2.579 5.628 -0.690) 6.229 2.400 ( -6.760 -1.366 2.278) 7.263 2.427 ( -5.210 -2.120 -0.141) 5.627 2.467 ( 1.352 8.393 -0.165) 8.503 2.510 ( 0.894 7.226 -2.492) 7.695 2.622 ( -1.258 1.178 -0.521) 1.800 2.636 ( -2.525 0.208 -2.002) 3.229 2.781 ( 1.883 1.562 0.516) 2.501 2.793 ( 1.986 4.117 -0.937) 4.666 2.959 ( 0.653 2.775 5.906) 6.558 3.056 ( 2.224 -0.349 -2.240) 3.176 3.119 ( -1.459 -3.017 3.089) 4.558 3.219 ( -6.089 2.886 -1.093) 6.827 3.228 ( -6.595 -1.349 0.916) 6.793 3.319 ( -2.237 -6.755 -7.373) 10.246 3.667 ( 8.173 -1.271 4.218) 9.284 3.773 ( 9.728 -5.543 -4.645) 12.122 4.115 ( -2.688 4.201 6.986) 8.583 4.167 ( -1.047 1.911 2.377) 3.225 4.310 ( 3.666 9.615 -0.742) 10.317 4.368 ( 3.711 8.387 -5.223) 10.555 4.574 ( -3.551 12.418 3.489) 13.379 4.649 ( -4.689 10.216 -2.991) 11.632 4.874 ( 2.962 3.684 3.452) 5.853 4.960 ( 2.182 2.351 -4.070) 5.182 5.105 ( 2.586 1.491 2.332) 3.788 5.164 ( 3.284 0.561 -3.384) 4.749 5.274 ( 3.497 0.107 1.603) 3.848 5.296 ( 2.069 1.746 0.110) 2.710 5.399 ( 0.702 -1.111 0.601) 1.445 5.413 ( 0.820 -2.126 -0.305) 2.299 5.732 ( -3.266 0.254 0.739) 3.358 5.753 ( -3.667 0.248 -1.261) 3.886 5.775 ( -3.883 -1.564 2.115) 4.690 5.836 ( -2.973 -4.596 -2.541) 6.034 6.031 ( 4.320 -0.341 4.851) 6.505 6.061 ( 4.726 -1.681 3.223) 5.962 6.151 ( 2.064 2.140 -2.577) 3.935 6.206 ( 2.977 0.022 -4.962) 5.786 6.312 ( 0.350 0.948 2.253) 2.470 6.359 ( -1.905 0.277 -1.641) 2.529 6.422 ( 0.419 -3.684 0.805) 3.794 6.437 ( 0.106 -4.085 -0.026) 4.086 6.554 ( -3.243 -2.139 0.604) 3.932 6.592 ( -3.596 -3.615 -2.430) 5.649 6.706 ( -5.801 -0.932 2.368) 6.334 6.758 ( -4.918 -2.780 -2.157) 6.047 7.075 ( 8.401 2.932 1.265) 8.987 7.121 ( 8.419 0.900 -2.914) 8.955 7.486 ( -3.777 2.172 2.255) 4.906 7.510 ( -3.531 0.697 0.330) 3.614 7.931 ( 2.011 2.144 1.950) 3.528 7.992 ( 3.380 -0.773 -3.236) 4.743 8.176 ( -2.701 2.786 3.001) 4.905 8.247 ( -1.165 -0.585 -3.304) 3.551 8.341 ( 0.844 -5.447 1.083) 5.618 8.354 ( 0.694 -7.140 -0.238) 7.178 8.481 ( -6.621 -4.732 2.950) 8.657 8.545 ( -7.929 -7.143 -2.593) 10.982 ======================= Grid point 129 (52/56) ======================= q-point: ( 0.43 0.42 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 0.525 3.693 1.786) 4.136 2.159 ( -0.869 2.026 -0.117) 2.208 2.278 ( -3.676 -2.368 1.181) 4.529 2.311 ( -5.598 -2.677 -1.332) 6.347 2.509 ( 2.496 6.628 0.571) 7.105 2.537 ( 1.087 5.151 -1.166) 5.392 2.575 ( -1.914 3.129 -1.106) 3.831 2.594 ( -2.154 2.723 -2.507) 4.282 2.859 ( 4.852 2.622 0.499) 5.538 2.866 ( 5.572 3.991 0.120) 6.855 2.961 ( -1.792 0.001 5.369) 5.661 3.031 ( -7.694 1.435 -0.658) 7.854 3.061 ( 0.110 3.894 2.921) 4.869 3.101 ( -3.564 4.288 0.152) 5.578 3.209 ( 2.737 -2.032 -3.533) 4.910 3.270 ( -3.088 -5.239 -7.177) 9.407 3.847 ( 9.826 1.164 5.830) 11.484 3.958 ( 8.459 -2.784 -3.755) 9.664 4.020 ( -6.533 2.167 6.080) 9.184 4.107 ( -5.440 -0.991 -1.308) 5.682 4.381 ( 3.495 8.911 0.749) 9.601 4.419 ( 0.735 9.347 -2.350) 9.665 4.515 ( -1.249 7.865 1.519) 8.107 4.555 ( -4.367 7.956 -1.826) 9.257 4.954 ( 4.727 5.040 2.239) 7.263 5.005 ( 0.946 4.856 -2.045) 5.354 5.116 ( -0.058 2.540 1.383) 2.893 5.158 ( -3.096 3.078 -2.196) 4.887 5.328 ( 2.240 0.655 0.801) 2.468 5.334 ( 1.722 0.556 0.444) 1.863 5.453 ( 3.700 -0.249 0.423) 3.732 5.472 ( 2.794 -1.348 -1.165) 3.314 5.665 ( -2.030 -0.516 0.522) 2.159 5.682 ( -3.207 -1.323 -0.610) 3.522 5.701 ( -2.161 -1.968 1.369) 3.228 5.743 ( -5.366 -4.143 -1.884) 7.036 6.127 ( 4.960 1.112 3.099) 5.953 6.164 ( 3.665 0.477 1.444) 3.968 6.207 ( 3.034 1.714 -0.196) 3.490 6.252 ( 0.454 1.645 -2.329) 2.887 6.319 ( -0.978 0.330 1.112) 1.517 6.332 ( -0.153 -0.603 0.978) 1.159 6.403 ( -0.148 -3.369 3.098) 4.580 6.448 ( -1.008 -5.029 -0.591) 5.163 6.511 ( -0.489 -1.840 -2.051) 2.799 6.546 ( -0.664 -4.408 -4.127) 6.075 6.606 ( -2.841 -4.086 0.971) 5.071 6.656 ( -5.275 -4.789 -3.153) 7.791 7.241 ( 8.505 3.717 2.199) 9.539 7.286 ( 8.139 1.813 -1.688) 8.508 7.388 ( -6.328 3.149 2.534) 7.509 7.424 ( -5.741 1.688 -0.300) 5.992 7.992 ( 4.338 2.867 2.966) 5.986 8.062 ( 1.084 1.461 -1.468) 2.338 8.118 ( -0.499 1.335 0.822) 1.645 8.199 ( -4.443 0.152 -4.810) 6.550 8.349 ( -0.084 -5.970 1.262) 6.103 8.356 ( -0.739 -7.739 0.413) 7.786 8.394 ( -1.251 -6.723 1.360) 6.972 8.419 ( -4.085 -7.987 -0.877) 9.014 ======================= Grid point 133 (53/56) ======================= q-point: ( 0.00 -0.50 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 0.000 -3.374 0.175) 3.378 2.440 ( 0.000 3.374 0.175) 3.378 2.451 ( 0.000 -4.811 0.007) 4.811 2.451 ( 0.000 4.811 0.007) 4.811 2.634 ( 0.000 -1.138 -0.596) 1.285 2.634 ( 0.000 1.138 -0.596) 1.285 2.649 ( 0.000 -1.092 -0.627) 1.259 2.649 ( 0.000 1.092 -0.627) 1.259 2.838 ( 0.000 -2.993 2.883) 4.156 2.838 ( 0.000 2.993 2.883) 4.156 2.983 ( 0.000 -3.310 0.485) 3.346 2.983 ( 0.000 3.310 0.485) 3.346 3.049 ( 0.000 -8.522 -2.227) 8.808 3.049 ( 0.000 8.522 -2.227) 8.808 3.411 ( 0.000 -2.618 0.533) 2.672 3.411 ( 0.000 2.618 0.533) 2.672 3.467 ( 0.000 -1.018 -2.217) 2.440 3.467 ( 0.000 1.018 -2.217) 2.440 4.215 ( 0.000 -1.148 5.657) 5.772 4.215 ( 0.000 1.148 5.657) 5.772 4.356 ( 0.000 -0.331 -3.933) 3.947 4.356 ( 0.000 0.331 -3.933) 3.947 4.808 ( 0.000 -2.549 0.356) 2.574 4.808 ( 0.000 2.549 0.356) 2.574 4.879 ( 0.000 -0.439 3.227) 3.256 4.879 ( 0.000 0.439 3.227) 3.256 5.028 ( 0.000 -0.084 -4.491) 4.492 5.028 ( 0.000 0.084 -4.491) 4.492 5.205 ( 0.000 -1.712 -1.425) 2.227 5.205 ( 0.000 1.712 -1.425) 2.227 5.463 ( 0.000 -0.575 3.461) 3.509 5.463 ( 0.000 0.575 3.461) 3.509 5.741 ( 0.000 -1.762 -0.689) 1.892 5.741 ( 0.000 1.762 -0.689) 1.892 5.852 ( 0.000 -0.257 -1.053) 1.084 5.852 ( 0.000 0.257 -1.053) 1.083 5.937 ( 0.000 -0.890 0.116) 0.897 5.937 ( 0.000 0.890 0.116) 0.897 6.212 ( 0.000 -0.860 0.816) 1.186 6.212 ( 0.000 0.860 0.816) 1.186 6.324 ( 0.000 -0.746 2.628) 2.732 6.324 ( 0.000 0.746 2.628) 2.732 6.401 ( 0.000 -2.567 -2.930) 3.896 6.401 ( 0.000 2.567 -2.930) 3.896 6.639 ( 0.000 -0.524 0.274) 0.591 6.639 ( 0.000 0.524 0.274) 0.591 6.845 ( 0.000 -0.262 2.234) 2.249 6.845 ( 0.000 0.262 2.234) 2.249 6.927 ( 0.000 -2.348 -2.939) 3.761 6.927 ( 0.000 2.348 -2.939) 3.761 7.558 ( 0.000 -0.570 -0.255) 0.624 7.558 ( 0.000 0.570 -0.255) 0.624 7.928 ( 0.000 -0.530 0.491) 0.722 7.928 ( 0.000 0.530 0.491) 0.722 8.250 ( 0.000 -1.839 0.521) 1.911 8.250 ( 0.000 1.839 0.521) 1.911 8.259 ( 0.000 -1.291 -0.275) 1.320 8.259 ( 0.000 1.291 -0.275) 1.320 8.641 ( 0.000 -2.230 -0.177) 2.237 8.641 ( 0.000 2.230 -0.177) 2.237 ======================= Grid point 135 (54/56) ======================= q-point: ( 0.14 -0.50 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -4.588 -1.040 -0.002) 4.705 2.395 ( -4.588 1.040 -0.002) 4.705 2.424 ( -2.974 -0.617 0.476) 3.075 2.424 ( -2.974 0.617 0.476) 3.075 2.620 ( -1.643 -3.718 -0.546) 4.102 2.620 ( -1.643 3.718 -0.546) 4.102 2.634 ( -0.938 -3.101 -1.025) 3.398 2.634 ( -0.938 3.101 -1.025) 3.398 2.815 ( -0.950 -2.747 1.986) 3.520 2.815 ( -0.950 2.747 1.986) 3.520 3.017 ( 2.147 -3.170 1.197) 4.012 3.017 ( 2.147 3.170 1.197) 4.012 3.060 ( 1.374 -8.729 -2.052) 9.072 3.060 ( 1.374 8.729 -2.052) 9.072 3.375 ( -3.826 -2.248 -0.010) 4.438 3.375 ( -3.826 2.248 -0.010) 4.438 3.521 ( 5.893 -1.592 -1.694) 6.335 3.521 ( 5.893 1.592 -1.694) 6.335 4.209 ( -0.849 -1.020 4.813) 4.993 4.209 ( -0.849 1.020 4.813) 4.993 4.379 ( 2.360 -1.057 -3.143) 4.071 4.379 ( 2.360 1.057 -3.143) 4.071 4.805 ( -1.636 -2.541 0.083) 3.023 4.805 ( -1.636 2.541 0.083) 3.023 4.893 ( 1.932 -2.318 2.865) 4.161 4.893 ( 1.932 2.318 2.865) 4.161 5.053 ( 3.103 -1.740 -4.039) 5.382 5.053 ( 3.103 1.740 -4.039) 5.382 5.230 ( 2.593 -1.633 -0.740) 3.153 5.230 ( 2.593 1.633 -0.740) 3.153 5.440 ( -2.320 -0.434 2.627) 3.532 5.440 ( -2.320 0.434 2.627) 3.532 5.755 ( 1.088 -1.851 -0.080) 2.148 5.755 ( 1.088 1.851 -0.080) 2.148 5.831 ( -2.220 -0.313 -0.990) 2.451 5.831 ( -2.220 0.313 -0.990) 2.451 5.965 ( 2.672 -0.690 1.164) 2.995 5.965 ( 2.672 0.690 1.164) 2.995 6.182 ( -1.837 -0.691 -1.273) 2.339 6.182 ( -1.837 0.691 -1.273) 2.339 6.335 ( 0.743 -1.963 3.094) 3.738 6.335 ( 0.743 1.963 3.094) 3.738 6.400 ( -0.332 -2.337 -2.480) 3.423 6.400 ( -0.332 2.337 -2.480) 3.423 6.611 ( -2.821 -0.943 -0.071) 2.976 6.611 ( -2.821 0.943 -0.071) 2.976 6.815 ( -3.664 -0.591 1.062) 3.860 6.815 ( -3.664 0.591 1.062) 3.860 6.975 ( 5.372 -1.532 -1.775) 5.862 6.975 ( 5.372 1.532 -1.775) 5.862 7.549 ( -1.044 -0.489 0.378) 1.213 7.549 ( -1.044 0.489 0.378) 1.214 7.936 ( 0.955 -0.836 -0.002) 1.270 7.936 ( 0.955 0.836 -0.002) 1.270 8.249 ( -0.186 -1.919 0.260) 1.946 8.249 ( -0.186 1.919 0.260) 1.946 8.261 ( 0.303 -0.989 0.104) 1.040 8.261 ( 0.303 0.989 0.104) 1.040 8.586 ( -5.565 -2.165 -0.197) 5.975 8.586 ( -5.565 2.165 -0.197) 5.975 ======================= Grid point 137 (55/56) ======================= q-point: ( 0.29 -0.50 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -5.922 -1.647 0.166) 6.149 2.286 ( -5.922 1.647 0.166) 6.149 2.333 ( -6.070 -3.170 0.519) 6.868 2.333 ( -6.070 3.170 0.519) 6.868 2.598 ( -0.460 -2.075 -0.846) 2.288 2.598 ( -0.460 2.075 -0.846) 2.288 2.615 ( -0.800 -1.716 -0.890) 2.092 2.615 ( -0.800 1.716 -0.890) 2.092 2.829 ( 2.424 -1.963 1.592) 3.502 2.829 ( 2.424 1.963 1.592) 3.502 3.030 ( -0.748 -4.661 -1.430) 4.932 3.030 ( -0.748 4.661 -1.430) 4.932 3.102 ( 2.513 -2.429 0.316) 3.509 3.102 ( 2.513 2.429 0.316) 3.509 3.282 ( -5.337 -1.442 0.168) 5.531 3.282 ( -5.337 1.442 0.168) 5.531 3.681 ( 10.397 -2.945 -1.284) 10.882 3.681 ( 10.397 2.945 -1.284) 10.882 4.172 ( -3.377 -1.362 3.096) 4.779 4.172 ( -3.377 1.362 3.096) 4.779 4.436 ( 3.321 -1.851 -1.396) 4.050 4.436 ( 3.321 1.851 -1.396) 4.050 4.728 ( -5.925 -2.273 -0.205) 6.349 4.728 ( -5.925 2.273 -0.205) 6.349 4.951 ( 4.034 -3.150 1.047) 5.224 4.951 ( 4.034 3.150 1.047) 5.224 5.139 ( 4.340 -2.442 -1.309) 5.149 5.139 ( 4.340 2.442 -1.309) 5.149 5.303 ( 4.873 -2.141 -0.156) 5.325 5.303 ( 4.873 2.141 -0.156) 5.325 5.389 ( -2.010 -1.134 0.695) 2.410 5.389 ( -2.010 1.134 0.695) 2.410 5.749 ( -2.544 -1.203 0.020) 2.814 5.749 ( -2.544 1.203 0.020) 2.814 5.766 ( -4.418 -1.293 -0.633) 4.647 5.766 ( -4.418 1.294 -0.633) 4.647 6.036 ( 5.087 -0.791 4.412) 6.780 6.036 ( 5.087 0.791 4.412) 6.780 6.190 ( 3.001 -1.588 -4.409) 5.565 6.190 ( 3.001 1.588 -4.409) 5.565 6.351 ( 1.018 -2.970 1.983) 3.713 6.351 ( 1.018 2.970 1.983) 3.713 6.381 ( -1.739 -1.873 -0.686) 2.646 6.381 ( -1.739 1.873 -0.686) 2.646 6.542 ( -3.913 -1.082 -1.043) 4.191 6.542 ( -3.913 1.082 -1.043) 4.191 6.712 ( -6.620 -1.496 -0.142) 6.788 6.712 ( -6.620 1.496 -0.142) 6.788 7.119 ( 9.012 -1.229 -0.488) 9.108 7.119 ( 9.012 1.229 -0.488) 9.108 7.513 ( -2.929 -0.545 1.333) 3.264 7.513 ( -2.929 0.545 1.333) 3.264 7.970 ( 2.815 -1.558 -0.823) 3.320 7.970 ( 2.815 1.558 -0.823) 3.320 8.238 ( -1.240 -2.382 -0.159) 2.690 8.238 ( -1.240 2.382 -0.159) 2.690 8.269 ( 0.502 -0.904 0.625) 1.208 8.269 ( 0.502 0.904 0.625) 1.208 8.446 ( -8.419 -1.865 -0.150) 8.624 8.446 ( -8.419 1.865 -0.150) 8.624 ======================= Grid point 139 (56/56) ======================= q-point: ( 0.43 -0.50 0.33) 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -1.836 -1.400 0.274) 2.325 2.205 ( -1.836 1.400 0.274) 2.325 2.227 ( -4.012 -2.773 0.382) 4.892 2.227 ( -4.012 2.773 0.382) 4.892 2.598 ( 0.292 -0.372 -0.631) 0.788 2.598 ( 0.292 0.372 -0.631) 0.788 2.605 ( -0.363 -0.878 -0.670) 1.163 2.605 ( -0.363 0.878 -0.670) 1.163 2.899 ( 4.626 -1.180 0.522) 4.802 2.899 ( 4.626 1.180 0.522) 4.802 2.987 ( -3.870 -3.592 -1.078) 5.389 2.987 ( -3.870 3.592 -1.078) 5.389 3.146 ( 2.128 -2.449 0.234) 3.253 3.146 ( 2.128 2.449 0.234) 3.253 3.195 ( -3.422 -2.402 0.146) 4.183 3.195 ( -3.422 2.402 0.146) 4.183 3.891 ( 10.867 -3.124 -0.230) 11.309 3.891 ( 10.867 3.124 -0.230) 11.309 4.070 ( -7.434 -2.392 1.397) 7.933 4.070 ( -7.434 2.392 1.397) 7.933 4.506 ( 4.241 -2.057 -0.213) 4.718 4.506 ( 4.241 2.057 -0.213) 4.718 4.606 ( -6.200 -2.071 -0.080) 6.537 4.606 ( -6.200 2.071 -0.080) 6.538 5.044 ( 5.531 -2.750 0.154) 6.179 5.044 ( 5.531 2.750 0.154) 6.179 5.143 ( -3.887 -2.646 0.106) 4.703 5.143 ( -3.887 2.646 0.106) 4.703 5.399 ( 4.110 -3.436 -0.300) 5.366 5.399 ( 4.110 3.436 -0.300) 5.366 5.407 ( 2.867 -3.123 -0.242) 4.246 5.407 ( 2.867 3.123 -0.242) 4.246 5.673 ( -3.556 -0.517 -0.022) 3.593 5.673 ( -3.556 0.518 -0.022) 3.593 5.680 ( -3.946 -1.765 -0.280) 4.332 5.680 ( -3.946 1.765 -0.280) 4.332 6.156 ( 6.776 -1.315 4.318) 8.141 6.156 ( 6.776 1.315 4.318) 8.141 6.247 ( -0.214 -2.013 -1.800) 2.709 6.247 ( -0.214 2.013 -1.800) 2.709 6.338 ( -0.149 -0.815 0.214) 0.856 6.338 ( -0.149 0.815 0.214) 0.856 6.370 ( -0.728 -1.609 -0.126) 1.770 6.370 ( -0.728 1.609 -0.126) 1.770 6.497 ( 0.762 -0.815 -2.170) 2.440 6.497 ( 0.762 0.815 -2.170) 2.440 6.580 ( -6.622 -2.029 -1.184) 7.026 6.580 ( -6.622 2.029 -1.184) 7.026 7.293 ( 8.646 -1.196 0.620) 8.751 7.293 ( 8.646 1.196 0.620) 8.751 7.432 ( -5.727 -0.946 1.410) 5.973 7.432 ( -5.727 0.946 1.410) 5.973 8.052 ( 5.787 -2.447 -1.182) 6.394 8.052 ( 5.787 2.447 -1.182) 6.394 8.176 ( -5.949 -3.371 -0.946) 6.903 8.176 ( -5.949 3.371 -0.946) 6.903 8.281 ( 0.818 -1.208 0.770) 1.649 8.281 ( 0.818 1.208 0.770) 1.649 8.316 ( -3.834 -1.139 0.500) 4.030 8.316 ( -3.834 1.139 0.500) 4.030 =================== 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 3/15120 10.0 2630.962 2935.251 2273.765 0.000 0.000 0.000 3/15120 20.0 350.043 455.514 305.178 0.000 0.000 0.000 3/15120 30.0 111.118 152.038 93.127 0.000 0.000 0.000 3/15120 40.0 53.617 75.715 43.378 0.000 0.000 0.000 3/15120 50.0 32.139 46.349 25.361 0.000 0.000 0.000 3/15120 60.0 21.965 32.110 17.040 0.000 0.000 0.000 3/15120 70.0 16.364 24.130 12.546 0.000 0.000 0.000 3/15120 80.0 12.938 19.181 9.835 0.000 0.000 0.000 3/15120 90.0 10.670 15.872 8.060 0.000 0.000 0.000 3/15120 100.0 9.076 13.529 6.824 0.000 0.000 0.000 3/15120 110.0 7.901 11.792 5.919 0.000 0.000 0.000 3/15120 120.0 7.002 10.458 5.231 0.000 0.000 0.000 3/15120 130.0 6.293 9.402 4.690 0.000 0.000 0.000 3/15120 140.0 5.719 8.546 4.254 0.000 0.000 0.000 3/15120 150.0 5.244 7.838 3.896 0.000 0.000 0.000 3/15120 160.0 4.846 7.242 3.595 0.000 0.000 0.000 3/15120 170.0 4.506 6.734 3.340 0.000 0.000 0.000 3/15120 180.0 4.213 6.295 3.120 0.000 0.000 0.000 3/15120 190.0 3.957 5.912 2.928 0.000 0.000 0.000 3/15120 200.0 3.732 5.575 2.759 0.000 0.000 0.000 3/15120 210.0 3.532 5.275 2.610 0.000 0.000 0.000 3/15120 220.0 3.353 5.007 2.477 0.000 0.000 0.000 3/15120 230.0 3.192 4.766 2.357 0.000 0.000 0.000 3/15120 240.0 3.046 4.548 2.248 0.000 0.000 0.000 3/15120 250.0 2.913 4.349 2.149 0.000 0.000 0.000 3/15120 260.0 2.792 4.168 2.059 0.000 0.000 0.000 3/15120 270.0 2.681 4.002 1.977 0.000 0.000 0.000 3/15120 280.0 2.578 3.848 1.901 0.000 0.000 0.000 3/15120 290.0 2.484 3.707 1.831 0.000 0.000 0.000 3/15120 300.0 2.396 3.575 1.765 0.000 0.000 0.000 3/15120 310.0 2.314 3.453 1.705 0.000 0.000 0.000 3/15120 320.0 2.238 3.339 1.649 0.000 0.000 0.000 3/15120 330.0 2.167 3.233 1.596 0.000 0.000 0.000 3/15120 340.0 2.100 3.133 1.547 0.000 0.000 0.000 3/15120 350.0 2.037 3.039 1.500 0.000 0.000 0.000 3/15120 360.0 1.978 2.951 1.457 0.000 0.000 0.000 3/15120 370.0 1.923 2.868 1.416 0.000 0.000 0.000 3/15120 380.0 1.870 2.790 1.377 0.000 0.000 0.000 3/15120 390.0 1.821 2.715 1.340 0.000 0.000 0.000 3/15120 400.0 1.774 2.645 1.305 0.000 0.000 0.000 3/15120 410.0 1.729 2.578 1.272 0.000 0.000 0.000 3/15120 420.0 1.687 2.515 1.241 0.000 0.000 0.000 3/15120 430.0 1.646 2.455 1.211 0.000 0.000 0.000 3/15120 440.0 1.608 2.397 1.183 0.000 0.000 0.000 3/15120 450.0 1.571 2.343 1.156 0.000 0.000 0.000 3/15120 460.0 1.536 2.290 1.130 0.000 0.000 0.000 3/15120 470.0 1.503 2.240 1.105 0.000 0.000 0.000 3/15120 480.0 1.471 2.193 1.082 0.000 0.000 0.000 3/15120 490.0 1.440 2.147 1.059 0.000 0.000 0.000 3/15120 500.0 1.411 2.103 1.037 0.000 0.000 0.000 3/15120 510.0 1.382 2.061 1.017 0.000 0.000 0.000 3/15120 520.0 1.355 2.020 0.997 0.000 0.000 0.000 3/15120 530.0 1.329 1.981 0.978 0.000 0.000 0.000 3/15120 540.0 1.304 1.944 0.959 0.000 0.000 0.000 3/15120 550.0 1.280 1.908 0.941 0.000 0.000 0.000 3/15120 560.0 1.257 1.873 0.924 0.000 0.000 0.000 3/15120 570.0 1.234 1.840 0.908 0.000 0.000 0.000 3/15120 580.0 1.213 1.808 0.892 0.000 0.000 0.000 3/15120 590.0 1.192 1.777 0.876 0.000 0.000 0.000 3/15120 600.0 1.172 1.746 0.862 0.000 0.000 0.000 3/15120 610.0 1.152 1.717 0.847 0.000 0.000 0.000 3/15120 620.0 1.133 1.689 0.833 0.000 0.000 0.000 3/15120 630.0 1.115 1.662 0.820 0.000 0.000 0.000 3/15120 640.0 1.098 1.636 0.807 0.000 0.000 0.000 3/15120 650.0 1.080 1.610 0.794 0.000 0.000 0.000 3/15120 660.0 1.064 1.586 0.782 0.000 0.000 0.000 3/15120 670.0 1.048 1.562 0.770 0.000 0.000 0.000 3/15120 680.0 1.032 1.538 0.759 0.000 0.000 0.000 3/15120 690.0 1.017 1.516 0.748 0.000 0.000 0.000 3/15120 700.0 1.002 1.494 0.737 0.000 0.000 0.000 3/15120 710.0 0.988 1.473 0.726 0.000 0.000 0.000 3/15120 720.0 0.974 1.452 0.716 0.000 0.000 0.000 3/15120 730.0 0.961 1.432 0.706 0.000 0.000 0.000 3/15120 740.0 0.948 1.412 0.697 0.000 0.000 0.000 3/15120 750.0 0.935 1.393 0.687 0.000 0.000 0.000 3/15120 760.0 0.923 1.375 0.678 0.000 0.000 0.000 3/15120 770.0 0.911 1.357 0.669 0.000 0.000 0.000 3/15120 780.0 0.899 1.339 0.661 0.000 0.000 0.000 3/15120 790.0 0.887 1.322 0.652 0.000 0.000 0.000 3/15120 800.0 0.876 1.305 0.644 0.000 0.000 0.000 3/15120 810.0 0.865 1.289 0.636 0.000 0.000 0.000 3/15120 820.0 0.855 1.273 0.628 0.000 0.000 0.000 3/15120 830.0 0.844 1.258 0.620 0.000 0.000 0.000 3/15120 840.0 0.834 1.243 0.613 0.000 0.000 0.000 3/15120 850.0 0.824 1.228 0.606 0.000 0.000 0.000 3/15120 860.0 0.815 1.214 0.599 0.000 0.000 0.000 3/15120 870.0 0.805 1.200 0.592 0.000 0.000 0.000 3/15120 880.0 0.796 1.186 0.585 0.000 0.000 0.000 3/15120 890.0 0.787 1.173 0.578 0.000 0.000 0.000 3/15120 900.0 0.778 1.159 0.572 0.000 0.000 0.000 3/15120 910.0 0.770 1.147 0.566 0.000 0.000 0.000 3/15120 920.0 0.761 1.134 0.559 0.000 0.000 0.000 3/15120 930.0 0.753 1.122 0.553 0.000 0.000 0.000 3/15120 940.0 0.745 1.110 0.547 0.000 0.000 0.000 3/15120 950.0 0.737 1.098 0.542 0.000 0.000 0.000 3/15120 960.0 0.729 1.087 0.536 0.000 0.000 0.000 3/15120 970.0 0.722 1.075 0.530 0.000 0.000 0.000 3/15120 980.0 0.714 1.064 0.525 0.000 0.000 0.000 3/15120 990.0 0.707 1.053 0.520 0.000 0.000 0.000 3/15120 1000.0 0.700 1.043 0.514 0.000 0.000 0.000 3/15120 Thermal conductivity related properties were written into "kappa-m7123.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:25:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|