----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:24:04]------------------------- 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: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-62m (189) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.330916698789096 0.000000000000000 0.000000000000000 b -4.665458349394548 8.080810901747787 0.000000000000000 c 0.000000000000000 0.000000000000000 5.387478370000000 Atomic positions (fractional): *1 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 *2 Re 0.33333333333333 0.66666666666667 0.50000000000000 186.207 3 Re 0.66666666666667 0.33333333333333 0.50000000000000 186.207 *4 K 0.59181150631302 0.00000000000000 0.00000000000000 39.098 5 K 0.40818849368698 0.40818849368698 0.00000000000000 39.098 6 K 0.00000000000000 0.59181150631302 0.00000000000000 39.098 *7 K 0.26340380410699 0.00000000000000 0.50000000000000 39.098 8 K 0.73659619589301 0.73659619589301 0.50000000000000 39.098 9 K 0.00000000000000 0.26340380410699 0.50000000000000 39.098 *10 H 0.18033522838829 0.00000000000000 0.00000000000000 1.008 11 H 0.81966477161171 0.81966477161171 0.00000000000000 1.008 12 H 0.00000000000000 0.18033522838829 0.00000000000000 1.008 *13 H 0.87000467928507 0.00000000000000 0.22060504332981 1.008 14 H 0.12999532071493 0.12999532071493 0.77939495667019 1.008 15 H 0.00000000000000 0.87000467928507 0.77939495667019 1.008 16 H 0.00000000000000 0.87000467928507 0.22060504332981 1.008 17 H 0.12999532071493 0.12999532071493 0.22060504332981 1.008 18 H 0.87000467928507 0.00000000000000 0.77939495667019 1.008 *19 H 0.13698621373803 0.62803884552841 0.50000000000000 1.008 20 H 0.49105263179038 0.86301378626197 0.50000000000000 1.008 21 H 0.37196115447159 0.50894736820962 0.50000000000000 1.008 22 H 0.50894736820962 0.37196115447159 0.50000000000000 1.008 23 H 0.86301378626197 0.49105263179038 0.50000000000000 1.008 24 H 0.62803884552841 0.13698621373803 0.50000000000000 1.008 *25 H 0.22330237817744 0.52901112458048 0.72908811984004 1.008 26 H 0.30570874640304 0.77669762182256 0.27091188015995 1.008 27 H 0.47098887541952 0.69429125359696 0.27091188015995 1.008 28 H 0.47098887541952 0.69429125359696 0.72908811984004 1.008 29 H 0.30570874640304 0.77669762182256 0.72908811984004 1.008 30 H 0.69429125359696 0.47098887541952 0.27091188015995 1.008 31 H 0.77669762182256 0.30570874640304 0.27091188015995 1.008 32 H 0.52901112458048 0.22330237817744 0.27091188015995 1.008 33 H 0.22330237817744 0.52901112458048 0.27091188015995 1.008 34 H 0.52901112458048 0.22330237817744 0.72908811984004 1.008 35 H 0.69429125359696 0.47098887541952 0.72908811984004 1.008 36 H 0.77669762182256 0.30570874640304 0.72908811984004 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.330916698789096 0.000000000000000 0.000000000000000 b -4.665458349394548 8.080810901747787 0.000000000000000 c 0.000000000000000 0.000000000000000 5.387478370000000 Atomic positions (fractional): *1 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 1 *2 Re 0.33333333333333 0.66666666666667 0.50000000000000 186.207 > 2 3 Re 0.66666666666667 0.33333333333333 0.50000000000000 186.207 > 3 *4 K 0.59181150631302 0.00000000000000 0.00000000000000 39.098 > 4 5 K 0.40818849368698 0.40818849368698 0.00000000000000 39.098 > 5 6 K 0.00000000000000 0.59181150631302 0.00000000000000 39.098 > 6 *7 K 0.26340380410699 0.00000000000000 0.50000000000000 39.098 > 7 8 K 0.73659619589301 0.73659619589301 0.50000000000000 39.098 > 8 9 K 0.00000000000000 0.26340380410699 0.50000000000000 39.098 > 9 *10 H 0.18033522838829 0.00000000000000 0.00000000000000 1.008 > 10 11 H 0.81966477161171 0.81966477161171 0.00000000000000 1.008 > 11 12 H 0.00000000000000 0.18033522838829 0.00000000000000 1.008 > 12 *13 H 0.87000467928507 0.00000000000000 0.22060504332981 1.008 > 13 14 H 0.12999532071493 0.12999532071493 0.77939495667019 1.008 > 14 15 H 0.00000000000000 0.87000467928507 0.77939495667019 1.008 > 15 16 H 0.00000000000000 0.87000467928507 0.22060504332981 1.008 > 16 17 H 0.12999532071493 0.12999532071493 0.22060504332981 1.008 > 17 18 H 0.87000467928507 0.00000000000000 0.77939495667019 1.008 > 18 *19 H 0.13698621373803 0.62803884552841 0.50000000000000 1.008 > 19 20 H 0.49105263179038 0.86301378626197 0.50000000000000 1.008 > 20 21 H 0.37196115447159 0.50894736820962 0.50000000000000 1.008 > 21 22 H 0.50894736820962 0.37196115447159 0.50000000000000 1.008 > 22 23 H 0.86301378626197 0.49105263179038 0.50000000000000 1.008 > 23 24 H 0.62803884552841 0.13698621373803 0.50000000000000 1.008 > 24 *25 H 0.22330237817744 0.52901112458048 0.72908811984004 1.008 > 25 26 H 0.30570874640304 0.77669762182256 0.27091188015995 1.008 > 26 27 H 0.47098887541952 0.69429125359696 0.27091188015995 1.008 > 27 28 H 0.47098887541952 0.69429125359696 0.72908811984004 1.008 > 28 29 H 0.30570874640304 0.77669762182256 0.72908811984004 1.008 > 29 30 H 0.69429125359696 0.47098887541952 0.27091188015995 1.008 > 30 31 H 0.77669762182256 0.30570874640304 0.27091188015995 1.008 > 31 32 H 0.52901112458048 0.22330237817744 0.27091188015995 1.008 > 32 33 H 0.22330237817744 0.52901112458048 0.27091188015995 1.008 > 33 34 H 0.52901112458048 0.22330237817744 0.72908811984004 1.008 > 34 35 H 0.69429125359696 0.47098887541952 0.72908811984004 1.008 > 35 36 H 0.77669762182256 0.30570874640304 0.72908811984004 1.008 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.330916698789096 0.000000000000000 0.000000000000000 b -4.665458349394548 8.080810901747787 0.000000000000000 c 0.000000000000000 0.000000000000000 10.774956740000000 Atomic positions (fractional): *1 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 1 2 Re 0.00000000000000 0.00000000000000 0.50000000000000 186.207 > 1 *3 Re 0.33333333333333 0.66666666666667 0.25000000000000 186.207 > 2 4 Re 0.33333333333333 0.66666666666667 0.75000000000000 186.207 > 2 5 Re 0.66666666666667 0.33333333333333 0.25000000000000 186.207 > 3 6 Re 0.66666666666667 0.33333333333333 0.75000000000000 186.207 > 3 *7 K 0.59181150631302 0.00000000000000 0.00000000000000 39.098 > 4 8 K 0.59181150631302 0.00000000000000 0.50000000000000 39.098 > 4 9 K 0.40818849368698 0.40818849368698 0.00000000000000 39.098 > 5 10 K 0.40818849368698 0.40818849368698 0.50000000000000 39.098 > 5 11 K 0.00000000000000 0.59181150631302 0.00000000000000 39.098 > 6 12 K 0.00000000000000 0.59181150631302 0.50000000000000 39.098 > 6 *13 K 0.26340380410699 0.00000000000000 0.25000000000000 39.098 > 7 14 K 0.26340380410699 0.00000000000000 0.75000000000000 39.098 > 7 15 K 0.73659619589301 0.73659619589301 0.25000000000000 39.098 > 8 16 K 0.73659619589301 0.73659619589301 0.75000000000000 39.098 > 8 17 K 0.00000000000000 0.26340380410699 0.25000000000000 39.098 > 9 18 K 0.00000000000000 0.26340380410699 0.75000000000000 39.098 > 9 *19 H 0.18033522838829 0.00000000000000 0.00000000000000 1.008 > 10 20 H 0.18033522838829 0.00000000000000 0.50000000000000 1.008 > 10 21 H 0.81966477161171 0.81966477161171 0.00000000000000 1.008 > 11 22 H 0.81966477161171 0.81966477161171 0.50000000000000 1.008 > 11 23 H 0.00000000000000 0.18033522838829 0.00000000000000 1.008 > 12 24 H 0.00000000000000 0.18033522838829 0.50000000000000 1.008 > 12 *25 H 0.87000467928507 0.00000000000000 0.11030252166491 1.008 > 13 26 H 0.87000467928507 0.00000000000000 0.61030252166491 1.008 > 13 27 H 0.12999532071493 0.12999532071493 0.38969747833509 1.008 > 14 28 H 0.12999532071493 0.12999532071493 0.88969747833509 1.008 > 14 29 H 0.00000000000000 0.87000467928507 0.38969747833509 1.008 > 15 30 H 0.00000000000000 0.87000467928507 0.88969747833509 1.008 > 15 31 H 0.00000000000000 0.87000467928507 0.11030252166491 1.008 > 16 32 H 0.00000000000000 0.87000467928507 0.61030252166491 1.008 > 16 33 H 0.12999532071493 0.12999532071493 0.11030252166491 1.008 > 17 34 H 0.12999532071493 0.12999532071493 0.61030252166491 1.008 > 17 35 H 0.87000467928507 0.00000000000000 0.38969747833509 1.008 > 18 36 H 0.87000467928507 0.00000000000000 0.88969747833509 1.008 > 18 *37 H 0.13698621373803 0.62803884552841 0.25000000000000 1.008 > 19 38 H 0.13698621373803 0.62803884552841 0.75000000000000 1.008 > 19 39 H 0.49105263179038 0.86301378626197 0.25000000000000 1.008 > 20 40 H 0.49105263179038 0.86301378626197 0.75000000000000 1.008 > 20 41 H 0.37196115447159 0.50894736820962 0.25000000000000 1.008 > 21 42 H 0.37196115447159 0.50894736820962 0.75000000000000 1.008 > 21 43 H 0.50894736820962 0.37196115447159 0.25000000000000 1.008 > 22 44 H 0.50894736820962 0.37196115447159 0.75000000000000 1.008 > 22 45 H 0.86301378626197 0.49105263179038 0.25000000000000 1.008 > 23 46 H 0.86301378626197 0.49105263179038 0.75000000000000 1.008 > 23 47 H 0.62803884552841 0.13698621373803 0.25000000000000 1.008 > 24 48 H 0.62803884552841 0.13698621373803 0.75000000000000 1.008 > 24 *49 H 0.22330237817744 0.52901112458048 0.36454405992002 1.008 > 25 50 H 0.22330237817744 0.52901112458048 0.86454405992002 1.008 > 25 51 H 0.30570874640304 0.77669762182256 0.13545594007998 1.008 > 26 52 H 0.30570874640304 0.77669762182256 0.63545594007998 1.008 > 26 53 H 0.47098887541952 0.69429125359696 0.13545594007998 1.008 > 27 54 H 0.47098887541952 0.69429125359696 0.63545594007998 1.008 > 27 55 H 0.47098887541952 0.69429125359696 0.36454405992002 1.008 > 28 56 H 0.47098887541952 0.69429125359696 0.86454405992002 1.008 > 28 57 H 0.30570874640304 0.77669762182256 0.36454405992002 1.008 > 29 58 H 0.30570874640304 0.77669762182256 0.86454405992002 1.008 > 29 59 H 0.69429125359696 0.47098887541952 0.13545594007998 1.008 > 30 60 H 0.69429125359696 0.47098887541952 0.63545594007998 1.008 > 30 61 H 0.77669762182256 0.30570874640304 0.13545594007998 1.008 > 31 62 H 0.77669762182256 0.30570874640304 0.63545594007998 1.008 > 31 63 H 0.52901112458048 0.22330237817744 0.13545594007998 1.008 > 32 64 H 0.52901112458048 0.22330237817744 0.63545594007998 1.008 > 32 65 H 0.22330237817744 0.52901112458048 0.13545594007998 1.008 > 33 66 H 0.22330237817744 0.52901112458048 0.63545594007998 1.008 > 33 67 H 0.52901112458048 0.22330237817744 0.36454405992002 1.008 > 34 68 H 0.52901112458048 0.22330237817744 0.86454405992002 1.008 > 34 69 H 0.69429125359696 0.47098887541952 0.36454405992002 1.008 > 35 70 H 0.69429125359696 0.47098887541952 0.86454405992002 1.008 > 35 71 H 0.77669762182256 0.30570874640304 0.36454405992002 1.008 > 36 72 H 0.77669762182256 0.30570874640304 0.86454405992002 1.008 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9673881 0.0000000 0.0000000 0.0000000 2.9673881 0.0000000 0.0000000 0.0000000 2.9493060 -------------------------- Born effective charges -------------------------- 1 Re -1.5218713 -0.0000000 -0.0000000 -0.0000000 -1.5218713 -0.0000000 0.0000000 -0.0000000 -1.3562862 2 Re -1.7032448 0.0660560 -0.0000000 -0.0660560 -1.7032448 -0.0000000 0.0000000 -0.0000000 -1.1764442 3 Re -1.7032448 -0.0660560 -0.0000000 0.0660560 -1.7032448 -0.0000000 0.0000000 -0.0000000 -1.1764442 4 K 1.0642094 0.0000000 -0.0000000 -0.0000000 1.2856716 -0.0000000 0.0000000 -0.0000000 1.2755502 5 K 1.2303060 -0.0958959 -0.0000000 -0.0958959 1.1195749 -0.0000000 0.0000000 -0.0000000 1.2755502 6 K 1.2303060 0.0958959 -0.0000000 0.0958959 1.1195749 -0.0000000 0.0000000 -0.0000000 1.2755502 7 K 1.2285079 -0.0000000 -0.0000000 -0.0000000 1.0438690 -0.0000000 0.0000000 -0.0000000 0.9912028 8 K 1.0900287 0.0799510 -0.0000000 0.0799510 1.1823482 -0.0000000 0.0000000 -0.0000000 0.9912028 9 K 1.0900287 -0.0799510 -0.0000000 -0.0799510 1.1823482 -0.0000000 0.0000000 -0.0000000 0.9912028 10 H -0.5075902 0.0000000 -0.0000000 -0.0000000 0.2175491 -0.0000000 0.0000000 -0.0000000 0.1908168 11 H 0.0362643 -0.3139945 -0.0000000 -0.3139945 -0.3263054 -0.0000000 0.0000000 -0.0000000 0.1908168 12 H 0.0362643 0.3139945 -0.0000000 0.3139945 -0.3263054 -0.0000000 0.0000000 -0.0000000 0.1908168 13 H -0.2482705 0.0000000 0.3916473 -0.0000000 0.1513365 -0.0000000 0.4065319 -0.0000000 -0.2539512 14 H 0.0514348 -0.1730349 0.1958236 -0.1730349 -0.1483687 0.3391765 0.2032659 0.3520669 -0.2539512 15 H 0.0514348 0.1730349 0.1958236 0.1730349 -0.1483687 -0.3391765 0.2032659 -0.3520669 -0.2539512 16 H 0.0514348 0.1730349 -0.1958236 0.1730349 -0.1483687 0.3391765 -0.2032659 0.3520669 -0.2539512 17 H 0.0514348 -0.1730349 -0.1958236 -0.1730349 -0.1483687 -0.3391765 -0.2032659 -0.3520669 -0.2539512 18 H -0.2482705 0.0000000 -0.3916473 -0.0000000 0.1513365 -0.0000000 -0.4065319 0.0000000 -0.2539512 19 H -0.4105193 -0.0765181 -0.0000000 -0.1199875 0.1823155 -0.0000000 0.0000000 -0.0000000 0.1894086 20 H 0.1191962 -0.1858439 -0.0000000 -0.2293133 -0.3474000 -0.0000000 0.0000000 -0.0000000 0.1894086 21 H -0.0509826 0.3275661 -0.0000000 0.2840967 -0.1772212 -0.0000000 0.0000000 -0.0000000 0.1894086 22 H -0.4105193 0.0765181 -0.0000000 0.1199875 0.1823155 -0.0000000 0.0000000 -0.0000000 0.1894086 23 H -0.0509826 -0.3275661 -0.0000000 -0.2840967 -0.1772212 -0.0000000 0.0000000 -0.0000000 0.1894086 24 H 0.1191962 0.1858439 -0.0000000 0.2293133 -0.3474000 -0.0000000 0.0000000 -0.0000000 0.1894086 25 H 0.1174630 -0.1399633 0.1246139 -0.1283822 -0.2165548 0.3914611 0.1396609 0.4030303 -0.2730233 26 H -0.0168533 0.2059297 -0.2767083 0.2175109 -0.0822385 0.3036493 -0.2792040 0.3224650 -0.2730233 27 H -0.2492474 -0.0833381 0.4013222 -0.0717570 0.1501555 0.0878118 0.4188649 0.0805653 -0.2730233 28 H -0.2492474 -0.0833381 -0.4013222 -0.0717570 0.1501555 -0.0878118 -0.4188649 -0.0805653 -0.2730233 29 H -0.0168533 0.2059297 0.2767083 0.2175109 -0.0822385 -0.3036493 0.2792040 -0.3224650 -0.2730233 30 H 0.1174630 0.1399633 -0.1246139 0.1283822 -0.2165548 0.3914611 -0.1396609 0.4030303 -0.2730233 31 H -0.2492474 0.0833381 0.4013222 0.0717570 0.1501555 -0.0878118 0.4188649 -0.0805653 -0.2730233 32 H -0.0168533 -0.2059297 -0.2767083 -0.2175109 -0.0822385 -0.3036493 -0.2792040 -0.3224650 -0.2730233 33 H 0.1174630 -0.1399633 -0.1246139 -0.1283822 -0.2165548 -0.3914611 -0.1396609 -0.4030303 -0.2730233 34 H -0.0168533 -0.2059297 0.2767083 -0.2175109 -0.0822385 0.3036493 0.2792040 0.3224650 -0.2730233 35 H 0.1174630 0.1399633 0.1246139 0.1283822 -0.2165548 -0.3914611 0.1396609 -0.4030303 -0.2730233 36 H -0.2492474 0.0833381 -0.4013222 0.0717570 0.1501555 0.0878118 -0.4188649 0.0805653 -0.2730233 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 11772/11772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1073 Number of blocks in projector: 536 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 538 Use submatrix version of eigh solver. (1) Block: 538 / 538 (2) Block: 250 / 538 (2) 231 eigenvectors found. (2) Block: 538 / 538 (2) 272 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 519 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 161 Use standard eigh solver. Tree of FC basis block matrices: - (1073, 1040), data: False |-- (161, 153), data: True |-- (374, 368), data: True |-- (538, 519), data: False |-- (538, 519), data: False |-- (538, 16), data: (538, 35) @ (35, 16) |-- (288, 272), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 0.745 Solver_block: 200 / 400 - Time: 0.779 Solver_block: 300 / 400 - Time: 0.753 Solver_block: 400 / 400 - Time: 0.766 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.102 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 216/216 Permutation basis: 11772/11772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1073 Number of blocks in projector: 536 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 538 Use submatrix version of eigh solver. (1) Block: 538 / 538 (2) Block: 250 / 538 (2) 231 eigenvectors found. (2) Block: 538 / 538 (2) 272 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 519 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 161 Use standard eigh solver. Tree of FC basis block matrices: - (1073, 1040), data: False |-- (161, 153), data: True |-- (374, 368), data: True |-- (538, 519), data: False |-- (538, 519), data: False |-- (538, 16), data: (538, 35) @ (35, 16) |-- (288, 272), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:24:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:24:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-62m (189) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.330916698789096 0.000000000000000 0.000000000000000 b -4.665458349394548 8.080810901747787 0.000000000000000 c 0.000000000000000 0.000000000000000 5.387478370000000 Atomic positions (fractional): 1 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 2 Re 0.33333333333333 0.66666666666667 0.50000000000000 186.207 3 Re 0.66666666666667 0.33333333333333 0.50000000000000 186.207 4 K 0.59181150631302 0.00000000000000 0.00000000000000 39.098 5 K 0.40818849368698 0.40818849368698 0.00000000000000 39.098 6 K 0.00000000000000 0.59181150631302 0.00000000000000 39.098 7 K 0.26340380410699 0.00000000000000 0.50000000000000 39.098 8 K 0.73659619589301 0.73659619589301 0.50000000000000 39.098 9 K 0.00000000000000 0.26340380410699 0.50000000000000 39.098 10 H 0.18033522838829 0.00000000000000 0.00000000000000 1.008 11 H 0.81966477161171 0.81966477161171 0.00000000000000 1.008 12 H 0.00000000000000 0.18033522838829 0.00000000000000 1.008 13 H 0.87000467928507 0.00000000000000 0.22060504332981 1.008 14 H 0.12999532071493 0.12999532071493 0.77939495667019 1.008 15 H 0.00000000000000 0.87000467928507 0.77939495667019 1.008 16 H 0.00000000000000 0.87000467928507 0.22060504332981 1.008 17 H 0.12999532071493 0.12999532071493 0.22060504332981 1.008 18 H 0.87000467928507 0.00000000000000 0.77939495667019 1.008 19 H 0.13698621373803 0.62803884552841 0.50000000000000 1.008 20 H 0.49105263179038 0.86301378626197 0.50000000000000 1.008 21 H 0.37196115447159 0.50894736820962 0.50000000000000 1.008 22 H 0.50894736820962 0.37196115447159 0.50000000000000 1.008 23 H 0.86301378626197 0.49105263179038 0.50000000000000 1.008 24 H 0.62803884552841 0.13698621373803 0.50000000000000 1.008 25 H 0.22330237817744 0.52901112458048 0.72908811984004 1.008 26 H 0.30570874640304 0.77669762182256 0.27091188015995 1.008 27 H 0.47098887541952 0.69429125359696 0.27091188015995 1.008 28 H 0.47098887541952 0.69429125359696 0.72908811984004 1.008 29 H 0.30570874640304 0.77669762182256 0.72908811984004 1.008 30 H 0.69429125359696 0.47098887541952 0.27091188015995 1.008 31 H 0.77669762182256 0.30570874640304 0.27091188015995 1.008 32 H 0.52901112458048 0.22330237817744 0.27091188015995 1.008 33 H 0.22330237817744 0.52901112458048 0.27091188015995 1.008 34 H 0.52901112458048 0.22330237817744 0.72908811984004 1.008 35 H 0.69429125359696 0.47098887541952 0.72908811984004 1.008 36 H 0.77669762182256 0.30570874640304 0.72908811984004 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.330916698789096 0.000000000000000 0.000000000000000 b -4.665458349394548 8.080810901747787 0.000000000000000 c 0.000000000000000 0.000000000000000 10.774956740000000 Atomic positions (fractional): 1 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 1 2 Re 0.00000000000000 0.00000000000000 0.50000000000000 186.207 > 1 3 Re 0.33333333333333 0.66666666666667 0.25000000000000 186.207 > 3 4 Re 0.33333333333333 0.66666666666667 0.75000000000000 186.207 > 3 5 Re 0.66666666666667 0.33333333333333 0.25000000000000 186.207 > 5 6 Re 0.66666666666667 0.33333333333333 0.75000000000000 186.207 > 5 7 K 0.59181150631302 0.00000000000000 0.00000000000000 39.098 > 7 8 K 0.59181150631302 0.00000000000000 0.50000000000000 39.098 > 7 9 K 0.40818849368698 0.40818849368698 0.00000000000000 39.098 > 9 10 K 0.40818849368698 0.40818849368698 0.50000000000000 39.098 > 9 11 K 0.00000000000000 0.59181150631302 0.00000000000000 39.098 > 11 12 K 0.00000000000000 0.59181150631302 0.50000000000000 39.098 > 11 13 K 0.26340380410699 0.00000000000000 0.25000000000000 39.098 > 13 14 K 0.26340380410699 0.00000000000000 0.75000000000000 39.098 > 13 15 K 0.73659619589301 0.73659619589301 0.25000000000000 39.098 > 15 16 K 0.73659619589301 0.73659619589301 0.75000000000000 39.098 > 15 17 K 0.00000000000000 0.26340380410699 0.25000000000000 39.098 > 17 18 K 0.00000000000000 0.26340380410699 0.75000000000000 39.098 > 17 19 H 0.18033522838829 0.00000000000000 0.00000000000000 1.008 > 19 20 H 0.18033522838829 0.00000000000000 0.50000000000000 1.008 > 19 21 H 0.81966477161171 0.81966477161171 0.00000000000000 1.008 > 21 22 H 0.81966477161171 0.81966477161171 0.50000000000000 1.008 > 21 23 H 0.00000000000000 0.18033522838829 0.00000000000000 1.008 > 23 24 H 0.00000000000000 0.18033522838829 0.50000000000000 1.008 > 23 25 H 0.87000467928507 0.00000000000000 0.11030252166491 1.008 > 25 26 H 0.87000467928507 0.00000000000000 0.61030252166491 1.008 > 25 27 H 0.12999532071493 0.12999532071493 0.38969747833509 1.008 > 27 28 H 0.12999532071493 0.12999532071493 0.88969747833509 1.008 > 27 29 H 0.00000000000000 0.87000467928507 0.38969747833509 1.008 > 29 30 H 0.00000000000000 0.87000467928507 0.88969747833509 1.008 > 29 31 H 0.00000000000000 0.87000467928507 0.11030252166491 1.008 > 31 32 H 0.00000000000000 0.87000467928507 0.61030252166491 1.008 > 31 33 H 0.12999532071493 0.12999532071493 0.11030252166491 1.008 > 33 34 H 0.12999532071493 0.12999532071493 0.61030252166491 1.008 > 33 35 H 0.87000467928507 0.00000000000000 0.38969747833509 1.008 > 35 36 H 0.87000467928507 0.00000000000000 0.88969747833509 1.008 > 35 37 H 0.13698621373803 0.62803884552841 0.25000000000000 1.008 > 37 38 H 0.13698621373803 0.62803884552841 0.75000000000000 1.008 > 37 39 H 0.49105263179038 0.86301378626197 0.25000000000000 1.008 > 39 40 H 0.49105263179038 0.86301378626197 0.75000000000000 1.008 > 39 41 H 0.37196115447159 0.50894736820962 0.25000000000000 1.008 > 41 42 H 0.37196115447159 0.50894736820962 0.75000000000000 1.008 > 41 43 H 0.50894736820962 0.37196115447159 0.25000000000000 1.008 > 43 44 H 0.50894736820962 0.37196115447159 0.75000000000000 1.008 > 43 45 H 0.86301378626197 0.49105263179038 0.25000000000000 1.008 > 45 46 H 0.86301378626197 0.49105263179038 0.75000000000000 1.008 > 45 47 H 0.62803884552841 0.13698621373803 0.25000000000000 1.008 > 47 48 H 0.62803884552841 0.13698621373803 0.75000000000000 1.008 > 47 49 H 0.22330237817744 0.52901112458048 0.36454405992002 1.008 > 49 50 H 0.22330237817744 0.52901112458048 0.86454405992002 1.008 > 49 51 H 0.30570874640304 0.77669762182256 0.13545594007998 1.008 > 51 52 H 0.30570874640304 0.77669762182256 0.63545594007998 1.008 > 51 53 H 0.47098887541952 0.69429125359696 0.13545594007998 1.008 > 53 54 H 0.47098887541952 0.69429125359696 0.63545594007998 1.008 > 53 55 H 0.47098887541952 0.69429125359696 0.36454405992002 1.008 > 55 56 H 0.47098887541952 0.69429125359696 0.86454405992002 1.008 > 55 57 H 0.30570874640304 0.77669762182256 0.36454405992002 1.008 > 57 58 H 0.30570874640304 0.77669762182256 0.86454405992002 1.008 > 57 59 H 0.69429125359696 0.47098887541952 0.13545594007998 1.008 > 59 60 H 0.69429125359696 0.47098887541952 0.63545594007998 1.008 > 59 61 H 0.77669762182256 0.30570874640304 0.13545594007998 1.008 > 61 62 H 0.77669762182256 0.30570874640304 0.63545594007998 1.008 > 61 63 H 0.52901112458048 0.22330237817744 0.13545594007998 1.008 > 63 64 H 0.52901112458048 0.22330237817744 0.63545594007998 1.008 > 63 65 H 0.22330237817744 0.52901112458048 0.13545594007998 1.008 > 65 66 H 0.22330237817744 0.52901112458048 0.63545594007998 1.008 > 65 67 H 0.52901112458048 0.22330237817744 0.36454405992002 1.008 > 67 68 H 0.52901112458048 0.22330237817744 0.86454405992002 1.008 > 67 69 H 0.69429125359696 0.47098887541952 0.36454405992002 1.008 > 69 70 H 0.69429125359696 0.47098887541952 0.86454405992002 1.008 > 69 71 H 0.77669762182256 0.30570874640304 0.36454405992002 1.008 > 71 72 H 0.77669762182256 0.30570874640304 0.86454405992002 1.008 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9673881 0.0000000 0.0000000 0.0000000 2.9673881 0.0000000 0.0000000 0.0000000 2.9493060 -------------------------- Born effective charges -------------------------- 1 Re -1.5218713 -0.0000000 -0.0000000 -0.0000000 -1.5218713 -0.0000000 0.0000000 -0.0000000 -1.3562862 2 Re -1.7032448 0.0660560 -0.0000000 -0.0660560 -1.7032448 -0.0000000 0.0000000 -0.0000000 -1.1764442 3 Re -1.7032448 -0.0660560 -0.0000000 0.0660560 -1.7032448 -0.0000000 0.0000000 -0.0000000 -1.1764442 4 K 1.0642094 0.0000000 -0.0000000 -0.0000000 1.2856716 -0.0000000 0.0000000 -0.0000000 1.2755502 5 K 1.2303060 -0.0958959 -0.0000000 -0.0958959 1.1195749 -0.0000000 0.0000000 -0.0000000 1.2755502 6 K 1.2303060 0.0958959 -0.0000000 0.0958959 1.1195749 -0.0000000 0.0000000 -0.0000000 1.2755502 7 K 1.2285079 -0.0000000 -0.0000000 -0.0000000 1.0438690 -0.0000000 0.0000000 -0.0000000 0.9912028 8 K 1.0900287 0.0799510 -0.0000000 0.0799510 1.1823482 -0.0000000 0.0000000 -0.0000000 0.9912028 9 K 1.0900287 -0.0799510 -0.0000000 -0.0799510 1.1823482 -0.0000000 0.0000000 -0.0000000 0.9912028 10 H -0.5075902 0.0000000 -0.0000000 -0.0000000 0.2175491 -0.0000000 0.0000000 -0.0000000 0.1908168 11 H 0.0362643 -0.3139945 -0.0000000 -0.3139945 -0.3263054 -0.0000000 0.0000000 -0.0000000 0.1908168 12 H 0.0362643 0.3139945 -0.0000000 0.3139945 -0.3263054 -0.0000000 0.0000000 -0.0000000 0.1908168 13 H -0.2482705 0.0000000 0.3916473 -0.0000000 0.1513365 -0.0000000 0.4065319 -0.0000000 -0.2539512 14 H 0.0514348 -0.1730349 0.1958236 -0.1730349 -0.1483687 0.3391765 0.2032659 0.3520669 -0.2539512 15 H 0.0514348 0.1730349 0.1958236 0.1730349 -0.1483687 -0.3391765 0.2032659 -0.3520669 -0.2539512 16 H 0.0514348 0.1730349 -0.1958236 0.1730349 -0.1483687 0.3391765 -0.2032659 0.3520669 -0.2539512 17 H 0.0514348 -0.1730349 -0.1958236 -0.1730349 -0.1483687 -0.3391765 -0.2032659 -0.3520669 -0.2539512 18 H -0.2482705 0.0000000 -0.3916473 -0.0000000 0.1513365 -0.0000000 -0.4065319 0.0000000 -0.2539512 19 H -0.4105193 -0.0765181 -0.0000000 -0.1199875 0.1823155 -0.0000000 0.0000000 -0.0000000 0.1894086 20 H 0.1191962 -0.1858439 -0.0000000 -0.2293133 -0.3474000 -0.0000000 0.0000000 -0.0000000 0.1894086 21 H -0.0509826 0.3275661 -0.0000000 0.2840967 -0.1772212 -0.0000000 0.0000000 -0.0000000 0.1894086 22 H -0.4105193 0.0765181 -0.0000000 0.1199875 0.1823155 -0.0000000 0.0000000 -0.0000000 0.1894086 23 H -0.0509826 -0.3275661 -0.0000000 -0.2840967 -0.1772212 -0.0000000 0.0000000 -0.0000000 0.1894086 24 H 0.1191962 0.1858439 -0.0000000 0.2293133 -0.3474000 -0.0000000 0.0000000 -0.0000000 0.1894086 25 H 0.1174630 -0.1399633 0.1246139 -0.1283822 -0.2165548 0.3914611 0.1396609 0.4030303 -0.2730233 26 H -0.0168533 0.2059297 -0.2767083 0.2175109 -0.0822385 0.3036493 -0.2792040 0.3224650 -0.2730233 27 H -0.2492474 -0.0833381 0.4013222 -0.0717570 0.1501555 0.0878118 0.4188649 0.0805653 -0.2730233 28 H -0.2492474 -0.0833381 -0.4013222 -0.0717570 0.1501555 -0.0878118 -0.4188649 -0.0805653 -0.2730233 29 H -0.0168533 0.2059297 0.2767083 0.2175109 -0.0822385 -0.3036493 0.2792040 -0.3224650 -0.2730233 30 H 0.1174630 0.1399633 -0.1246139 0.1283822 -0.2165548 0.3914611 -0.1396609 0.4030303 -0.2730233 31 H -0.2492474 0.0833381 0.4013222 0.0717570 0.1501555 -0.0878118 0.4188649 -0.0805653 -0.2730233 32 H -0.0168533 -0.2059297 -0.2767083 -0.2175109 -0.0822385 -0.3036493 -0.2792040 -0.3224650 -0.2730233 33 H 0.1174630 -0.1399633 -0.1246139 -0.1283822 -0.2165548 -0.3914611 -0.1396609 -0.4030303 -0.2730233 34 H -0.0168533 -0.2059297 0.2767083 -0.2175109 -0.0822385 0.3036493 0.2792040 0.3224650 -0.2730233 35 H 0.1174630 0.1399633 0.1246139 0.1283822 -0.2165548 -0.3914611 0.1396609 -0.4030303 -0.2730233 36 H -0.2492474 0.0833381 -0.4013222 0.0717570 0.1501555 0.0878118 -0.4188649 0.0805653 -0.2730233 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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: 0.00000002 (zxz) 0.00000002 (zxz) 0.00000002 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:24:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:24:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-62m (189) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.330916698789096 0.000000000000000 0.000000000000000 b -4.665458349394548 8.080810901747787 0.000000000000000 c 0.000000000000000 0.000000000000000 5.387478370000000 Atomic positions (fractional): 1 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 2 Re 0.33333333333333 0.66666666666667 0.50000000000000 186.207 3 Re 0.66666666666667 0.33333333333333 0.50000000000000 186.207 4 K 0.59181150631302 0.00000000000000 0.00000000000000 39.098 5 K 0.40818849368698 0.40818849368698 0.00000000000000 39.098 6 K 0.00000000000000 0.59181150631302 0.00000000000000 39.098 7 K 0.26340380410699 0.00000000000000 0.50000000000000 39.098 8 K 0.73659619589301 0.73659619589301 0.50000000000000 39.098 9 K 0.00000000000000 0.26340380410699 0.50000000000000 39.098 10 H 0.18033522838829 0.00000000000000 0.00000000000000 1.008 11 H 0.81966477161171 0.81966477161171 0.00000000000000 1.008 12 H 0.00000000000000 0.18033522838829 0.00000000000000 1.008 13 H 0.87000467928507 0.00000000000000 0.22060504332981 1.008 14 H 0.12999532071493 0.12999532071493 0.77939495667019 1.008 15 H 0.00000000000000 0.87000467928507 0.77939495667019 1.008 16 H 0.00000000000000 0.87000467928507 0.22060504332981 1.008 17 H 0.12999532071493 0.12999532071493 0.22060504332981 1.008 18 H 0.87000467928507 0.00000000000000 0.77939495667019 1.008 19 H 0.13698621373803 0.62803884552841 0.50000000000000 1.008 20 H 0.49105263179038 0.86301378626197 0.50000000000000 1.008 21 H 0.37196115447159 0.50894736820962 0.50000000000000 1.008 22 H 0.50894736820962 0.37196115447159 0.50000000000000 1.008 23 H 0.86301378626197 0.49105263179038 0.50000000000000 1.008 24 H 0.62803884552841 0.13698621373803 0.50000000000000 1.008 25 H 0.22330237817744 0.52901112458048 0.72908811984004 1.008 26 H 0.30570874640304 0.77669762182256 0.27091188015995 1.008 27 H 0.47098887541952 0.69429125359696 0.27091188015995 1.008 28 H 0.47098887541952 0.69429125359696 0.72908811984004 1.008 29 H 0.30570874640304 0.77669762182256 0.72908811984004 1.008 30 H 0.69429125359696 0.47098887541952 0.27091188015995 1.008 31 H 0.77669762182256 0.30570874640304 0.27091188015995 1.008 32 H 0.52901112458048 0.22330237817744 0.27091188015995 1.008 33 H 0.22330237817744 0.52901112458048 0.27091188015995 1.008 34 H 0.52901112458048 0.22330237817744 0.72908811984004 1.008 35 H 0.69429125359696 0.47098887541952 0.72908811984004 1.008 36 H 0.77669762182256 0.30570874640304 0.72908811984004 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.330916698789096 0.000000000000000 0.000000000000000 b -4.665458349394548 8.080810901747787 0.000000000000000 c 0.000000000000000 0.000000000000000 10.774956740000000 Atomic positions (fractional): 1 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 1 2 Re 0.00000000000000 0.00000000000000 0.50000000000000 186.207 > 1 3 Re 0.33333333333333 0.66666666666667 0.25000000000000 186.207 > 3 4 Re 0.33333333333333 0.66666666666667 0.75000000000000 186.207 > 3 5 Re 0.66666666666667 0.33333333333333 0.25000000000000 186.207 > 5 6 Re 0.66666666666667 0.33333333333333 0.75000000000000 186.207 > 5 7 K 0.59181150631302 0.00000000000000 0.00000000000000 39.098 > 7 8 K 0.59181150631302 0.00000000000000 0.50000000000000 39.098 > 7 9 K 0.40818849368698 0.40818849368698 0.00000000000000 39.098 > 9 10 K 0.40818849368698 0.40818849368698 0.50000000000000 39.098 > 9 11 K 0.00000000000000 0.59181150631302 0.00000000000000 39.098 > 11 12 K 0.00000000000000 0.59181150631302 0.50000000000000 39.098 > 11 13 K 0.26340380410699 0.00000000000000 0.25000000000000 39.098 > 13 14 K 0.26340380410699 0.00000000000000 0.75000000000000 39.098 > 13 15 K 0.73659619589301 0.73659619589301 0.25000000000000 39.098 > 15 16 K 0.73659619589301 0.73659619589301 0.75000000000000 39.098 > 15 17 K 0.00000000000000 0.26340380410699 0.25000000000000 39.098 > 17 18 K 0.00000000000000 0.26340380410699 0.75000000000000 39.098 > 17 19 H 0.18033522838829 0.00000000000000 0.00000000000000 1.008 > 19 20 H 0.18033522838829 0.00000000000000 0.50000000000000 1.008 > 19 21 H 0.81966477161171 0.81966477161171 0.00000000000000 1.008 > 21 22 H 0.81966477161171 0.81966477161171 0.50000000000000 1.008 > 21 23 H 0.00000000000000 0.18033522838829 0.00000000000000 1.008 > 23 24 H 0.00000000000000 0.18033522838829 0.50000000000000 1.008 > 23 25 H 0.87000467928507 0.00000000000000 0.11030252166491 1.008 > 25 26 H 0.87000467928507 0.00000000000000 0.61030252166491 1.008 > 25 27 H 0.12999532071493 0.12999532071493 0.38969747833509 1.008 > 27 28 H 0.12999532071493 0.12999532071493 0.88969747833509 1.008 > 27 29 H 0.00000000000000 0.87000467928507 0.38969747833509 1.008 > 29 30 H 0.00000000000000 0.87000467928507 0.88969747833509 1.008 > 29 31 H 0.00000000000000 0.87000467928507 0.11030252166491 1.008 > 31 32 H 0.00000000000000 0.87000467928507 0.61030252166491 1.008 > 31 33 H 0.12999532071493 0.12999532071493 0.11030252166491 1.008 > 33 34 H 0.12999532071493 0.12999532071493 0.61030252166491 1.008 > 33 35 H 0.87000467928507 0.00000000000000 0.38969747833509 1.008 > 35 36 H 0.87000467928507 0.00000000000000 0.88969747833509 1.008 > 35 37 H 0.13698621373803 0.62803884552841 0.25000000000000 1.008 > 37 38 H 0.13698621373803 0.62803884552841 0.75000000000000 1.008 > 37 39 H 0.49105263179038 0.86301378626197 0.25000000000000 1.008 > 39 40 H 0.49105263179038 0.86301378626197 0.75000000000000 1.008 > 39 41 H 0.37196115447159 0.50894736820962 0.25000000000000 1.008 > 41 42 H 0.37196115447159 0.50894736820962 0.75000000000000 1.008 > 41 43 H 0.50894736820962 0.37196115447159 0.25000000000000 1.008 > 43 44 H 0.50894736820962 0.37196115447159 0.75000000000000 1.008 > 43 45 H 0.86301378626197 0.49105263179038 0.25000000000000 1.008 > 45 46 H 0.86301378626197 0.49105263179038 0.75000000000000 1.008 > 45 47 H 0.62803884552841 0.13698621373803 0.25000000000000 1.008 > 47 48 H 0.62803884552841 0.13698621373803 0.75000000000000 1.008 > 47 49 H 0.22330237817744 0.52901112458048 0.36454405992002 1.008 > 49 50 H 0.22330237817744 0.52901112458048 0.86454405992002 1.008 > 49 51 H 0.30570874640304 0.77669762182256 0.13545594007998 1.008 > 51 52 H 0.30570874640304 0.77669762182256 0.63545594007998 1.008 > 51 53 H 0.47098887541952 0.69429125359696 0.13545594007998 1.008 > 53 54 H 0.47098887541952 0.69429125359696 0.63545594007998 1.008 > 53 55 H 0.47098887541952 0.69429125359696 0.36454405992002 1.008 > 55 56 H 0.47098887541952 0.69429125359696 0.86454405992002 1.008 > 55 57 H 0.30570874640304 0.77669762182256 0.36454405992002 1.008 > 57 58 H 0.30570874640304 0.77669762182256 0.86454405992002 1.008 > 57 59 H 0.69429125359696 0.47098887541952 0.13545594007998 1.008 > 59 60 H 0.69429125359696 0.47098887541952 0.63545594007998 1.008 > 59 61 H 0.77669762182256 0.30570874640304 0.13545594007998 1.008 > 61 62 H 0.77669762182256 0.30570874640304 0.63545594007998 1.008 > 61 63 H 0.52901112458048 0.22330237817744 0.13545594007998 1.008 > 63 64 H 0.52901112458048 0.22330237817744 0.63545594007998 1.008 > 63 65 H 0.22330237817744 0.52901112458048 0.13545594007998 1.008 > 65 66 H 0.22330237817744 0.52901112458048 0.63545594007998 1.008 > 65 67 H 0.52901112458048 0.22330237817744 0.36454405992002 1.008 > 67 68 H 0.52901112458048 0.22330237817744 0.86454405992002 1.008 > 67 69 H 0.69429125359696 0.47098887541952 0.36454405992002 1.008 > 69 70 H 0.69429125359696 0.47098887541952 0.86454405992002 1.008 > 69 71 H 0.77669762182256 0.30570874640304 0.36454405992002 1.008 > 71 72 H 0.77669762182256 0.30570874640304 0.86454405992002 1.008 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9673881 0.0000000 0.0000000 0.0000000 2.9673881 0.0000000 0.0000000 0.0000000 2.9493060 -------------------------- Born effective charges -------------------------- 1 Re -1.5218713 -0.0000000 -0.0000000 -0.0000000 -1.5218713 -0.0000000 0.0000000 -0.0000000 -1.3562862 2 Re -1.7032448 0.0660560 -0.0000000 -0.0660560 -1.7032448 -0.0000000 0.0000000 -0.0000000 -1.1764442 3 Re -1.7032448 -0.0660560 -0.0000000 0.0660560 -1.7032448 -0.0000000 0.0000000 -0.0000000 -1.1764442 4 K 1.0642094 0.0000000 -0.0000000 -0.0000000 1.2856716 -0.0000000 0.0000000 -0.0000000 1.2755502 5 K 1.2303060 -0.0958959 -0.0000000 -0.0958959 1.1195749 -0.0000000 0.0000000 -0.0000000 1.2755502 6 K 1.2303060 0.0958959 -0.0000000 0.0958959 1.1195749 -0.0000000 0.0000000 -0.0000000 1.2755502 7 K 1.2285079 -0.0000000 -0.0000000 -0.0000000 1.0438690 -0.0000000 0.0000000 -0.0000000 0.9912028 8 K 1.0900287 0.0799510 -0.0000000 0.0799510 1.1823482 -0.0000000 0.0000000 -0.0000000 0.9912028 9 K 1.0900287 -0.0799510 -0.0000000 -0.0799510 1.1823482 -0.0000000 0.0000000 -0.0000000 0.9912028 10 H -0.5075902 0.0000000 -0.0000000 -0.0000000 0.2175491 -0.0000000 0.0000000 -0.0000000 0.1908168 11 H 0.0362643 -0.3139945 -0.0000000 -0.3139945 -0.3263054 -0.0000000 0.0000000 -0.0000000 0.1908168 12 H 0.0362643 0.3139945 -0.0000000 0.3139945 -0.3263054 -0.0000000 0.0000000 -0.0000000 0.1908168 13 H -0.2482705 0.0000000 0.3916473 -0.0000000 0.1513365 -0.0000000 0.4065319 -0.0000000 -0.2539512 14 H 0.0514348 -0.1730349 0.1958236 -0.1730349 -0.1483687 0.3391765 0.2032659 0.3520669 -0.2539512 15 H 0.0514348 0.1730349 0.1958236 0.1730349 -0.1483687 -0.3391765 0.2032659 -0.3520669 -0.2539512 16 H 0.0514348 0.1730349 -0.1958236 0.1730349 -0.1483687 0.3391765 -0.2032659 0.3520669 -0.2539512 17 H 0.0514348 -0.1730349 -0.1958236 -0.1730349 -0.1483687 -0.3391765 -0.2032659 -0.3520669 -0.2539512 18 H -0.2482705 0.0000000 -0.3916473 -0.0000000 0.1513365 -0.0000000 -0.4065319 0.0000000 -0.2539512 19 H -0.4105193 -0.0765181 -0.0000000 -0.1199875 0.1823155 -0.0000000 0.0000000 -0.0000000 0.1894086 20 H 0.1191962 -0.1858439 -0.0000000 -0.2293133 -0.3474000 -0.0000000 0.0000000 -0.0000000 0.1894086 21 H -0.0509826 0.3275661 -0.0000000 0.2840967 -0.1772212 -0.0000000 0.0000000 -0.0000000 0.1894086 22 H -0.4105193 0.0765181 -0.0000000 0.1199875 0.1823155 -0.0000000 0.0000000 -0.0000000 0.1894086 23 H -0.0509826 -0.3275661 -0.0000000 -0.2840967 -0.1772212 -0.0000000 0.0000000 -0.0000000 0.1894086 24 H 0.1191962 0.1858439 -0.0000000 0.2293133 -0.3474000 -0.0000000 0.0000000 -0.0000000 0.1894086 25 H 0.1174630 -0.1399633 0.1246139 -0.1283822 -0.2165548 0.3914611 0.1396609 0.4030303 -0.2730233 26 H -0.0168533 0.2059297 -0.2767083 0.2175109 -0.0822385 0.3036493 -0.2792040 0.3224650 -0.2730233 27 H -0.2492474 -0.0833381 0.4013222 -0.0717570 0.1501555 0.0878118 0.4188649 0.0805653 -0.2730233 28 H -0.2492474 -0.0833381 -0.4013222 -0.0717570 0.1501555 -0.0878118 -0.4188649 -0.0805653 -0.2730233 29 H -0.0168533 0.2059297 0.2767083 0.2175109 -0.0822385 -0.3036493 0.2792040 -0.3224650 -0.2730233 30 H 0.1174630 0.1399633 -0.1246139 0.1283822 -0.2165548 0.3914611 -0.1396609 0.4030303 -0.2730233 31 H -0.2492474 0.0833381 0.4013222 0.0717570 0.1501555 -0.0878118 0.4188649 -0.0805653 -0.2730233 32 H -0.0168533 -0.2059297 -0.2767083 -0.2175109 -0.0822385 -0.3036493 -0.2792040 -0.3224650 -0.2730233 33 H 0.1174630 -0.1399633 -0.1246139 -0.1283822 -0.2165548 -0.3914611 -0.1396609 -0.4030303 -0.2730233 34 H -0.0168533 -0.2059297 0.2767083 -0.2175109 -0.0822385 0.3036493 0.2792040 0.3224650 -0.2730233 35 H 0.1174630 0.1399633 0.1246139 0.1283822 -0.2165548 -0.3914611 0.1396609 -0.4030303 -0.2730233 36 H -0.2492474 0.0833381 -0.4013222 0.0717570 0.1501555 0.0878118 -0.4188649 0.0805653 -0.2730233 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zxz) 0.00000002 (zxz) 0.00000002 (zzx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 271, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/35) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 35 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 1.493 ( 0.000 0.000 0.000) 0.000 1.725 ( -0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 2.270 ( 0.000 0.000 0.000) 0.000 2.270 ( -0.000 -0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 0.000) 0.000 2.837 ( 0.000 -0.000 0.000) 0.000 2.837 ( 0.000 0.000 0.000) 0.000 2.946 ( -0.000 0.000 0.000) 0.000 2.946 ( -0.000 0.000 0.000) 0.000 3.004 ( 0.000 -0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.094 ( -0.000 -0.000 0.000) 0.000 4.197 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.239 ( -0.000 0.000 0.000) 0.000 4.302 ( 0.000 -0.000 0.000) 0.000 5.030 ( 0.000 0.000 0.000) 0.000 7.376 ( 0.000 -0.000 0.000) 0.000 7.403 ( 0.000 -0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 10.742 ( 0.000 0.000 0.000) 0.000 10.742 ( 0.000 0.000 0.000) 0.000 10.917 ( -0.000 0.000 0.000) 0.000 10.917 ( 0.000 -0.000 0.000) 0.000 11.069 ( 0.000 0.000 0.000) 0.000 11.069 ( 0.000 0.000 0.000) 0.000 11.271 ( -0.000 0.000 0.000) 0.000 11.271 ( -0.000 0.000 0.000) 0.000 13.957 ( -0.000 0.000 0.000) 0.000 13.957 ( 0.000 0.000 0.000) 0.000 14.018 ( 0.000 0.000 0.000) 0.000 14.018 ( -0.000 0.000 0.000) 0.000 22.042 ( 0.000 -0.000 0.000) 0.000 22.231 ( 0.000 0.000 0.000) 0.000 22.267 ( -0.000 -0.000 0.000) 0.000 22.267 ( 0.000 0.000 0.000) 0.000 22.310 ( 0.000 -0.000 0.000) 0.000 22.927 ( 0.000 -0.000 0.000) 0.000 22.930 ( -0.000 0.000 0.000) 0.000 22.930 ( 0.000 0.000 0.000) 0.000 22.949 ( 0.000 0.000 0.000) 0.000 23.243 ( 0.000 0.000 0.000) 0.000 23.243 ( 0.000 0.000 0.000) 0.000 24.677 ( -0.000 0.000 0.000) 0.000 24.677 ( -0.000 0.000 0.000) 0.000 24.706 ( 0.000 0.000 0.000) 0.000 24.706 ( -0.000 -0.000 0.000) 0.000 24.947 ( 0.000 0.000 0.000) 0.000 24.947 ( -0.000 0.000 0.000) 0.000 25.489 ( -0.000 0.000 0.000) 0.000 27.273 ( 0.000 -0.000 0.000) 0.000 27.325 ( 0.000 -0.000 0.000) 0.000 27.333 ( 0.000 0.000 0.000) 0.000 27.374 ( 0.000 0.000 0.000) 0.000 27.494 ( 0.000 -0.000 0.000) 0.000 28.149 ( 0.000 0.000 0.000) 0.000 28.666 ( 0.000 -0.000 0.000) 0.000 29.295 ( 0.000 0.000 0.000) 0.000 29.295 ( 0.000 -0.000 0.000) 0.000 29.407 ( 0.000 0.000 0.000) 0.000 29.407 ( -0.000 0.000 0.000) 0.000 29.438 ( 0.000 -0.000 0.000) 0.000 29.439 ( 0.000 -0.000 0.000) 0.000 29.444 ( 0.000 0.000 0.000) 0.000 29.444 ( -0.000 0.000 0.000) 0.000 29.523 ( 0.000 0.000 0.000) 0.000 29.523 ( 0.000 0.000 0.000) 0.000 29.593 ( -0.000 0.000 0.000) 0.000 29.593 ( -0.000 -0.000 0.000) 0.000 30.876 ( 0.000 0.000 0.000) 0.000 30.876 ( 0.000 0.000 0.000) 0.000 55.552 ( 0.000 -0.000 0.000) 0.000 55.638 ( 0.000 0.000 0.000) 0.000 56.809 ( 0.000 0.000 0.000) 0.000 56.809 ( -0.000 0.000 0.000) 0.000 57.032 ( -0.000 0.000 0.000) 0.000 57.032 ( -0.000 0.000 0.000) 0.000 57.609 ( 0.000 -0.000 0.000) 0.000 58.048 ( 0.000 -0.000 0.000) 0.000 58.048 ( 0.000 0.000 0.000) 0.000 58.054 ( -0.000 0.000 0.000) 0.000 58.054 ( 0.000 0.000 0.000) 0.000 58.102 ( -0.000 0.000 0.000) 0.000 58.102 ( -0.000 -0.000 0.000) 0.000 58.936 ( 0.000 -0.000 0.000) 0.000 59.203 ( 0.000 -0.000 0.000) 0.000 59.361 ( -0.000 -0.000 0.000) 0.000 59.361 ( -0.000 0.000 0.000) 0.000 59.452 ( 0.000 0.000 0.000) 0.000 59.976 ( -0.000 -0.000 0.000) 0.000 59.976 ( -0.000 0.000 0.000) 0.000 60.071 ( -0.000 0.000 0.000) 0.000 60.071 ( 0.000 0.000 0.000) 0.000 60.129 ( -0.000 0.000 0.000) 0.000 60.129 ( 0.000 -0.000 0.000) 0.000 61.126 ( -0.000 0.000 0.000) 0.000 61.282 ( 0.000 0.000 0.000) 0.000 61.953 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/35) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 14.859 8.579 0.000) 17.158 0.362 ( 15.163 8.754 0.000) 17.509 0.686 ( 28.080 16.212 0.000) 32.424 1.464 ( -2.464 -1.423 0.000) 2.845 1.662 ( -5.023 -2.900 0.000) 5.800 1.759 ( -13.117 -7.573 0.000) 15.146 1.781 ( -12.704 -7.335 0.000) 14.670 2.322 ( 0.887 0.512 0.000) 1.025 2.376 ( 3.433 1.982 0.000) 3.964 2.627 ( -3.791 -2.189 0.000) 4.378 2.659 ( 2.508 1.448 0.000) 2.896 2.738 ( 0.276 0.160 0.000) 0.319 2.828 ( -0.664 -0.383 0.000) 0.766 2.837 ( 0.226 0.131 0.000) 0.261 2.883 ( -1.715 -0.990 0.000) 1.981 3.017 ( -1.635 -0.944 0.000) 1.888 3.064 ( 2.451 1.415 0.000) 2.830 3.344 ( 0.910 0.526 0.000) 1.051 3.514 ( 2.385 1.377 0.000) 2.754 3.547 ( 4.850 2.800 0.000) 5.600 4.062 ( -2.097 -1.210 0.000) 2.421 4.127 ( 2.097 1.211 0.000) 2.422 4.236 ( 1.007 0.581 0.000) 1.162 4.267 ( -2.867 -1.655 0.000) 3.310 4.272 ( 4.251 2.454 0.000) 4.909 4.996 ( -2.783 -1.607 0.000) 3.214 5.134 ( -0.715 -0.413 0.000) 0.826 7.378 ( 0.115 0.066 0.000) 0.132 7.401 ( -0.139 -0.080 0.000) 0.161 9.798 ( -0.037 -0.021 0.000) 0.043 10.742 ( -0.014 -0.008 0.000) 0.016 10.742 ( -0.012 -0.007 0.000) 0.014 10.925 ( 0.663 0.383 0.000) 0.766 10.926 ( 0.745 0.430 0.000) 0.861 11.059 ( -0.782 -0.451 0.000) 0.903 11.060 ( -0.699 -0.404 0.000) 0.807 11.275 ( 0.251 0.145 0.000) 0.290 11.284 ( -0.024 -0.014 0.000) 0.028 13.961 ( 0.400 0.231 0.000) 0.461 13.988 ( 0.067 0.039 0.000) 0.077 14.020 ( 0.219 0.126 0.000) 0.252 14.061 ( -0.347 -0.201 0.000) 0.401 22.048 ( 0.505 0.291 0.000) 0.583 22.234 ( 0.222 0.128 0.000) 0.256 22.293 ( 2.075 1.198 0.000) 2.396 22.301 ( -0.730 -0.421 0.000) 0.843 22.675 ( -0.298 -0.172 0.000) 0.344 22.893 ( -2.637 -1.523 0.000) 3.045 22.928 ( 0.102 0.059 0.000) 0.118 22.948 ( -0.122 -0.071 0.000) 0.141 22.964 ( -0.652 -0.376 0.000) 0.752 23.261 ( 1.342 0.775 0.000) 1.549 23.430 ( 0.010 0.006 0.000) 0.012 24.678 ( 0.101 0.058 0.000) 0.116 24.679 ( 0.170 0.098 0.000) 0.196 24.704 ( -0.158 -0.091 0.000) 0.183 24.705 ( -0.092 -0.053 0.000) 0.106 24.947 ( 0.002 0.001 0.000) 0.003 24.947 ( 0.004 0.002 0.000) 0.004 25.489 ( -0.010 -0.006 0.000) 0.011 27.273 ( -0.011 -0.006 0.000) 0.012 27.328 ( 0.225 0.130 0.000) 0.259 27.342 ( 0.712 0.411 0.000) 0.822 27.371 ( -0.250 -0.144 0.000) 0.289 27.483 ( -0.872 -0.503 0.000) 1.007 28.147 ( -0.090 -0.052 0.000) 0.104 28.666 ( -0.028 -0.016 0.000) 0.032 29.284 ( -0.788 -0.455 0.000) 0.910 29.301 ( 0.401 0.232 0.000) 0.463 29.399 ( -0.609 -0.352 0.000) 0.703 29.404 ( -0.234 -0.135 0.000) 0.271 29.431 ( -0.233 -0.134 0.000) 0.269 29.438 ( 0.307 0.177 0.000) 0.354 29.455 ( 0.577 0.333 0.000) 0.666 29.463 ( 0.843 0.486 0.000) 0.973 29.522 ( -0.073 -0.042 0.000) 0.084 29.527 ( 0.316 0.183 0.000) 0.365 29.590 ( -0.289 -0.167 0.000) 0.334 29.595 ( 0.080 0.046 0.000) 0.092 30.876 ( 0.001 0.001 0.000) 0.001 30.876 ( 0.006 0.004 0.000) 0.007 55.557 ( 0.406 0.235 0.000) 0.469 55.633 ( -0.410 -0.237 0.000) 0.473 56.816 ( 0.535 0.309 0.000) 0.618 56.984 ( -0.593 -0.342 0.000) 0.684 57.027 ( -0.386 -0.223 0.000) 0.446 57.340 ( -0.006 -0.004 0.000) 0.007 57.606 ( -0.229 -0.132 0.000) 0.264 58.051 ( -0.226 -0.130 0.000) 0.261 58.056 ( 0.159 0.092 0.000) 0.184 58.058 ( 0.779 0.450 0.000) 0.900 58.101 ( -0.056 -0.032 0.000) 0.064 58.107 ( 0.361 0.208 0.000) 0.417 58.273 ( -0.308 -0.178 0.000) 0.356 58.952 ( 1.345 0.777 0.000) 1.554 59.188 ( -1.285 -0.742 0.000) 1.483 59.361 ( 0.007 0.004 0.000) 0.008 59.362 ( 0.013 0.007 0.000) 0.015 59.452 ( -0.019 -0.011 0.000) 0.022 59.968 ( -0.565 -0.326 0.000) 0.652 60.027 ( 0.565 0.326 0.000) 0.652 60.068 ( -0.195 -0.112 0.000) 0.225 60.074 ( -0.624 -0.360 0.000) 0.720 60.134 ( 0.392 0.226 0.000) 0.453 60.145 ( 0.137 0.079 0.000) 0.158 61.137 ( 0.859 0.496 0.000) 0.992 61.274 ( -0.672 -0.388 0.000) 0.776 61.953 ( 0.009 0.005 0.000) 0.010 ======================= Grid point 2 (3/35) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 14.518 8.382 0.000) 16.764 0.718 ( 14.553 8.402 0.000) 16.804 1.297 ( 17.391 10.041 0.000) 20.081 1.352 ( -7.863 -4.540 0.000) 9.079 1.436 ( -10.334 -5.966 0.000) 11.932 1.498 ( -7.068 -4.081 0.000) 8.162 1.532 ( -4.188 -2.418 0.000) 4.835 2.238 ( -9.483 -5.475 0.000) 10.950 2.361 ( -2.803 -1.618 0.000) 3.237 2.545 ( -2.259 -1.304 0.000) 2.608 2.693 ( 0.352 0.204 0.000) 0.407 2.767 ( 2.092 1.208 0.000) 2.416 2.812 ( -0.572 -0.330 0.000) 0.660 2.857 ( 1.516 0.875 0.000) 1.751 2.894 ( 1.523 0.879 0.000) 1.758 2.969 ( -2.219 -1.281 0.000) 2.562 3.101 ( 0.649 0.375 0.000) 0.750 3.383 ( 2.159 1.247 0.000) 2.493 3.575 ( 2.213 1.278 0.000) 2.556 3.681 ( 5.647 3.260 0.000) 6.521 4.007 ( -2.202 -1.272 0.000) 2.543 4.177 ( -4.194 -2.421 0.000) 4.843 4.186 ( 2.489 1.437 0.000) 2.874 4.248 ( 0.137 0.079 0.000) 0.158 4.402 ( 5.658 3.267 0.000) 6.533 4.907 ( -4.232 -2.443 0.000) 4.886 5.116 ( -0.689 -0.398 0.000) 0.795 7.381 ( 0.173 0.100 0.000) 0.200 7.397 ( -0.200 -0.116 0.000) 0.231 9.797 ( -0.037 -0.021 0.000) 0.043 10.742 ( -0.016 -0.009 0.000) 0.018 10.742 ( -0.012 -0.007 0.000) 0.014 10.946 ( 0.973 0.562 0.000) 1.124 10.950 ( 1.203 0.694 0.000) 1.389 11.034 ( -1.236 -0.714 0.000) 1.428 11.038 ( -1.010 -0.583 0.000) 1.167 11.279 ( 0.024 0.014 0.000) 0.027 11.286 ( 0.213 0.123 0.000) 0.245 13.975 ( 0.683 0.395 0.000) 0.789 13.989 ( 0.023 0.013 0.000) 0.026 14.026 ( 0.211 0.122 0.000) 0.244 14.049 ( -0.577 -0.333 0.000) 0.666 22.062 ( 0.583 0.336 0.000) 0.673 22.241 ( 0.416 0.240 0.000) 0.481 22.279 ( -1.002 -0.578 0.000) 1.157 22.353 ( 2.525 1.458 0.000) 2.916 22.664 ( -0.486 -0.280 0.000) 0.561 22.824 ( -2.701 -1.560 0.000) 3.119 22.931 ( 0.159 0.092 0.000) 0.184 22.944 ( -0.180 -0.104 0.000) 0.208 22.946 ( -0.646 -0.373 0.000) 0.746 23.294 ( 1.171 0.676 0.000) 1.352 23.430 ( -0.025 -0.014 0.000) 0.029 24.681 ( 0.127 0.073 0.000) 0.146 24.684 ( 0.288 0.166 0.000) 0.332 24.699 ( -0.276 -0.159 0.000) 0.319 24.703 ( -0.118 -0.068 0.000) 0.136 24.947 ( 0.003 0.002 0.000) 0.003 24.948 ( 0.004 0.002 0.000) 0.004 25.488 ( -0.010 -0.006 0.000) 0.011 27.273 ( -0.010 -0.006 0.000) 0.012 27.335 ( 0.349 0.201 0.000) 0.403 27.363 ( -0.374 -0.216 0.000) 0.432 27.365 ( 1.126 0.650 0.000) 1.300 27.456 ( -1.278 -0.738 0.000) 1.475 28.145 ( -0.093 -0.054 0.000) 0.108 28.665 ( -0.025 -0.014 0.000) 0.028 29.265 ( -0.682 -0.394 0.000) 0.787 29.311 ( 0.410 0.237 0.000) 0.473 29.383 ( -0.575 -0.332 0.000) 0.664 29.399 ( -0.145 -0.084 0.000) 0.167 29.427 ( -0.170 -0.098 0.000) 0.197 29.449 ( 0.438 0.253 0.000) 0.506 29.467 ( 0.408 0.236 0.000) 0.472 29.480 ( 0.569 0.328 0.000) 0.657 29.520 ( -0.069 -0.040 0.000) 0.080 29.536 ( 0.439 0.253 0.000) 0.506 29.581 ( -0.412 -0.238 0.000) 0.475 29.597 ( 0.076 0.044 0.000) 0.087 30.876 ( 0.001 0.000 0.000) 0.001 30.876 ( 0.007 0.004 0.000) 0.008 55.570 ( 0.623 0.360 0.000) 0.720 55.620 ( -0.627 -0.362 0.000) 0.724 56.830 ( 0.581 0.335 0.000) 0.670 56.969 ( -0.578 -0.333 0.000) 0.667 57.017 ( -0.450 -0.260 0.000) 0.520 57.339 ( -0.011 -0.006 0.000) 0.013 57.600 ( -0.210 -0.121 0.000) 0.243 58.045 ( -0.191 -0.110 0.000) 0.220 58.059 ( 0.042 0.024 0.000) 0.049 58.080 ( 0.833 0.481 0.000) 0.962 58.100 ( 0.010 0.006 0.000) 0.012 58.116 ( 0.360 0.208 0.000) 0.415 58.265 ( -0.336 -0.194 0.000) 0.388 58.995 ( 2.096 1.210 0.000) 2.420 59.146 ( -2.037 -1.176 0.000) 2.352 59.362 ( 0.005 0.003 0.000) 0.006 59.362 ( 0.013 0.008 0.000) 0.015 59.452 ( 0.052 0.030 0.000) 0.060 59.953 ( -0.603 -0.348 0.000) 0.696 60.035 ( -0.188 -0.109 0.000) 0.218 60.059 ( -0.114 -0.066 0.000) 0.132 60.070 ( 0.246 0.142 0.000) 0.284 60.134 ( -0.295 -0.170 0.000) 0.341 60.155 ( 0.582 0.336 0.000) 0.672 61.164 ( 1.245 0.719 0.000) 1.438 61.252 ( -1.061 -0.613 0.000) 1.225 61.953 ( 0.008 0.005 0.000) 0.010 ======================= Grid point 3 (4/35) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 0.000 0.000 0.000) 0.000 1.004 ( 0.000 0.000 0.000) 0.000 1.113 ( -0.000 -0.000 0.000) 0.000 1.152 ( 0.000 0.000 0.000) 0.000 1.337 ( 0.000 0.000 0.000) 0.000 1.487 ( 0.000 0.000 0.000) 0.000 1.850 ( 0.000 0.000 0.000) 0.000 1.910 ( -0.000 -0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.106 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.976 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 4.486 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 5.107 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 7.394 ( 0.000 0.000 0.000) 0.000 9.796 ( 0.000 0.000 0.000) 0.000 10.742 ( -0.002 -0.001 0.000) 0.002 10.742 ( 0.002 0.001 0.000) 0.002 10.961 ( 0.000 0.000 0.000) 0.000 10.972 ( 0.000 0.000 0.000) 0.000 11.012 ( 0.000 0.000 0.000) 0.000 11.022 ( 0.000 0.000 0.000) 0.000 11.278 ( 0.000 0.000 0.000) 0.000 11.289 ( 0.000 0.000 0.000) 0.000 13.986 ( 0.000 0.000 0.000) 0.000 13.990 ( 0.000 0.000 0.000) 0.000 14.028 ( 0.000 0.000 0.000) 0.000 14.040 ( 0.000 0.000 0.000) 0.000 22.070 ( 0.000 0.000 0.000) 0.000 22.251 ( 0.000 0.000 0.000) 0.000 22.261 ( -0.000 -0.000 0.000) 0.000 22.389 ( 0.000 0.000 0.000) 0.000 22.658 ( 0.000 0.000 0.000) 0.000 22.787 ( 0.000 0.000 0.000) 0.000 22.934 ( 0.000 0.000 0.000) 0.000 22.938 ( 0.000 0.000 0.000) 0.000 22.941 ( 0.000 0.000 0.000) 0.000 23.309 ( 0.000 0.000 0.000) 0.000 23.430 ( 0.000 0.000 0.000) 0.000 24.683 ( 0.000 0.000 0.000) 0.000 24.691 ( 0.000 0.000 0.000) 0.000 24.693 ( 0.000 0.000 0.000) 0.000 24.701 ( 0.000 0.000 0.000) 0.000 24.947 ( -0.000 -0.000 0.000) 0.000 24.948 ( 0.000 0.000 0.000) 0.000 25.488 ( 0.000 0.000 0.000) 0.000 27.273 ( 0.000 0.000 0.000) 0.000 27.341 ( 0.000 0.000 0.000) 0.000 27.357 ( 0.000 0.000 0.000) 0.000 27.384 ( 0.000 0.000 0.000) 0.000 27.435 ( 0.000 0.000 0.000) 0.000 28.144 ( 0.000 0.000 0.000) 0.000 28.665 ( 0.000 0.000 0.000) 0.000 29.256 ( 0.000 0.000 0.000) 0.000 29.317 ( 0.000 0.000 0.000) 0.000 29.376 ( 0.000 0.000 0.000) 0.000 29.397 ( 0.000 0.000 0.000) 0.000 29.424 ( 0.000 0.000 0.000) 0.000 29.455 ( 0.000 0.000 0.000) 0.000 29.472 ( 0.000 0.000 0.000) 0.000 29.488 ( 0.000 0.000 0.000) 0.000 29.519 ( 0.000 0.000 0.000) 0.000 29.543 ( 0.000 0.000 0.000) 0.000 29.575 ( 0.000 0.000 0.000) 0.000 29.598 ( 0.000 0.000 0.000) 0.000 30.876 ( 0.000 0.000 0.000) 0.000 30.876 ( 0.000 0.000 0.000) 0.000 55.581 ( 0.000 0.000 0.000) 0.000 55.609 ( 0.000 0.000 0.000) 0.000 56.838 ( 0.000 0.000 0.000) 0.000 56.961 ( 0.000 0.000 0.000) 0.000 57.010 ( 0.000 0.000 0.000) 0.000 57.339 ( 0.000 0.000 0.000) 0.000 57.598 ( 0.000 0.000 0.000) 0.000 58.043 ( 0.000 0.000 0.000) 0.000 58.059 ( 0.000 0.000 0.000) 0.000 58.091 ( 0.000 0.000 0.000) 0.000 58.101 ( 0.000 0.000 0.000) 0.000 58.121 ( 0.000 0.000 0.000) 0.000 58.260 ( 0.000 0.000 0.000) 0.000 59.031 ( 0.000 0.000 0.000) 0.000 59.111 ( 0.000 0.000 0.000) 0.000 59.362 ( 0.000 0.000 0.000) 0.000 59.362 ( 0.000 0.000 0.000) 0.000 59.453 ( 0.000 0.000 0.000) 0.000 59.945 ( 0.000 0.000 0.000) 0.000 60.029 ( 0.000 0.000 0.000) 0.000 60.059 ( 0.000 0.000 0.000) 0.000 60.076 ( 0.000 0.000 0.000) 0.000 60.129 ( 0.000 0.000 0.000) 0.000 60.163 ( 0.000 0.000 0.000) 0.000 61.184 ( 0.000 0.000 0.000) 0.000 61.234 ( 0.000 0.000 0.000) 0.000 61.953 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 8 (5/35) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 7.800 13.510 0.000) 15.600 0.625 ( 8.614 14.921 0.000) 17.229 1.163 ( 14.513 25.137 0.000) 29.026 1.412 ( -2.093 -3.625 0.000) 4.185 1.526 ( -8.032 -13.911 0.000) 16.063 1.546 ( -4.532 -7.849 0.000) 9.064 1.546 ( -6.908 -11.966 0.000) 13.817 2.348 ( -0.583 -1.010 0.000) 1.166 2.373 ( -0.597 -1.035 0.000) 1.195 2.516 ( -3.872 -6.706 0.000) 7.743 2.621 ( -1.884 -3.263 0.000) 3.768 2.788 ( -2.831 -4.903 0.000) 5.662 2.830 ( 0.227 0.393 0.000) 0.453 2.836 ( 0.158 0.274 0.000) 0.317 2.887 ( 5.060 8.764 0.000) 10.120 2.983 ( -1.267 -2.195 0.000) 2.535 3.148 ( 2.578 4.465 0.000) 5.156 3.343 ( -0.101 -0.175 0.000) 0.202 3.571 ( 2.032 3.519 0.000) 4.064 3.634 ( 2.923 5.062 0.000) 5.846 4.016 ( -1.709 -2.960 0.000) 3.418 4.175 ( 1.722 2.983 0.000) 3.445 4.204 ( -2.410 -4.174 0.000) 4.819 4.252 ( 0.496 0.859 0.000) 0.992 4.369 ( 3.682 6.377 0.000) 7.363 4.929 ( -2.779 -4.813 0.000) 5.558 5.119 ( -0.482 -0.834 0.000) 0.963 7.380 ( 0.101 0.174 0.000) 0.201 7.398 ( -0.122 -0.211 0.000) 0.243 9.797 ( -0.025 -0.043 0.000) 0.049 10.742 ( -0.010 -0.017 0.000) 0.019 10.742 ( -0.009 -0.016 0.000) 0.018 10.940 ( 0.592 1.026 0.000) 1.185 10.943 ( 0.658 1.139 0.000) 1.315 11.042 ( -0.680 -1.178 0.000) 1.361 11.044 ( -0.617 -1.069 0.000) 1.234 11.280 ( 0.183 0.317 0.000) 0.366 11.283 ( -0.016 -0.027 0.000) 0.031 13.971 ( 0.414 0.718 0.000) 0.829 13.992 ( 0.155 0.269 0.000) 0.311 14.022 ( 0.032 0.056 0.000) 0.064 14.052 ( -0.372 -0.644 0.000) 0.744 22.059 ( 0.377 0.654 0.000) 0.755 22.238 ( 0.193 0.335 0.000) 0.386 22.285 ( -0.572 -0.991 0.000) 1.145 22.340 ( 1.777 3.077 0.000) 3.553 22.663 ( -0.490 -0.850 0.000) 0.981 22.819 ( -2.556 -4.427 0.000) 5.112 22.930 ( 0.090 0.156 0.000) 0.180 22.945 ( -0.104 -0.180 0.000) 0.208 22.976 ( 0.407 0.705 0.000) 0.814 23.289 ( 1.009 1.748 0.000) 2.019 23.426 ( -0.257 -0.445 0.000) 0.513 24.680 ( 0.090 0.156 0.000) 0.180 24.682 ( 0.142 0.246 0.000) 0.284 24.701 ( -0.137 -0.237 0.000) 0.273 24.703 ( -0.082 -0.142 0.000) 0.164 24.947 ( 0.002 0.003 0.000) 0.004 24.947 ( 0.002 0.004 0.000) 0.005 25.488 ( -0.007 -0.011 0.000) 0.013 27.273 ( -0.007 -0.012 0.000) 0.014 27.333 ( 0.200 0.346 0.000) 0.400 27.358 ( 0.638 1.106 0.000) 1.277 27.366 ( -0.217 -0.375 0.000) 0.433 27.464 ( -0.738 -1.279 0.000) 1.476 28.146 ( -0.063 -0.109 0.000) 0.126 28.665 ( -0.016 -0.028 0.000) 0.032 29.271 ( -0.388 -0.672 0.000) 0.776 29.305 ( 0.148 0.256 0.000) 0.296 29.380 ( -0.796 -1.379 0.000) 1.592 29.406 ( 0.301 0.521 0.000) 0.601 29.435 ( 0.086 0.149 0.000) 0.172 29.440 ( 0.116 0.200 0.000) 0.231 29.466 ( 0.380 0.659 0.000) 0.761 29.476 ( 0.319 0.553 0.000) 0.639 29.520 ( -0.062 -0.107 0.000) 0.124 29.534 ( 0.293 0.507 0.000) 0.586 29.583 ( -0.276 -0.479 0.000) 0.553 29.596 ( 0.068 0.117 0.000) 0.135 30.876 ( 0.001 0.002 0.000) 0.003 30.876 ( 0.003 0.006 0.000) 0.007 55.566 ( 0.360 0.624 0.000) 0.720 55.624 ( -0.363 -0.628 0.000) 0.725 56.829 ( 0.479 0.829 0.000) 0.957 56.973 ( -0.354 -0.613 0.000) 0.708 57.016 ( -0.476 -0.824 0.000) 0.951 57.339 ( -0.044 -0.077 0.000) 0.088 57.602 ( -0.141 -0.245 0.000) 0.283 58.045 ( -0.180 -0.312 0.000) 0.361 58.061 ( 0.162 0.280 0.000) 0.324 58.082 ( 0.968 1.676 0.000) 1.935 58.097 ( -0.161 -0.279 0.000) 0.323 58.116 ( 0.328 0.569 0.000) 0.657 58.261 ( -0.544 -0.942 0.000) 1.087 58.982 ( 1.184 2.051 0.000) 2.368 59.159 ( -1.116 -1.934 0.000) 2.233 59.362 ( 0.005 0.009 0.000) 0.010 59.362 ( 0.007 0.013 0.000) 0.015 59.452 ( 0.033 0.058 0.000) 0.067 59.954 ( -0.500 -0.866 0.000) 1.000 60.033 ( -0.001 -0.001 0.000) 0.001 60.056 ( -0.363 -0.629 0.000) 0.726 60.079 ( 0.305 0.529 0.000) 0.611 60.135 ( 0.085 0.147 0.000) 0.170 60.151 ( 0.194 0.337 0.000) 0.389 61.156 ( 0.727 1.259 0.000) 1.454 61.259 ( -0.603 -1.045 0.000) 1.207 61.953 ( 0.006 0.010 0.000) 0.011 ======================= Grid point 9 (6/35) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 11.436 8.847 0.000) 14.459 0.937 ( 9.582 11.929 0.000) 15.301 1.210 ( -11.338 -9.217 0.000) 14.612 1.264 ( -10.859 -3.378 0.000) 11.372 1.300 ( -1.622 -9.455 0.000) 9.594 1.422 ( 1.936 -8.148 0.000) 8.375 1.729 ( 15.282 20.075 0.000) 25.230 2.159 ( -17.518 -2.064 0.000) 17.639 2.357 ( -1.242 0.528 0.000) 1.349 2.432 ( 3.392 -8.939 0.000) 9.560 2.577 ( 2.460 -5.598 0.000) 6.115 2.708 ( 2.005 -7.823 0.000) 8.076 2.826 ( -1.200 1.705 0.000) 2.085 2.869 ( 2.375 0.292 0.000) 2.393 2.932 ( -1.588 -2.244 0.000) 2.749 3.043 ( -0.209 10.893 0.000) 10.895 3.185 ( -4.029 5.129 0.000) 6.522 3.364 ( 3.700 -2.969 0.000) 4.744 3.630 ( -0.215 3.800 0.000) 3.806 3.731 ( 3.367 0.983 0.000) 3.508 3.958 ( -0.518 -3.004 0.000) 3.049 4.118 ( -2.017 -2.777 0.000) 3.432 4.231 ( 0.984 2.443 0.000) 2.633 4.261 ( -0.657 0.865 0.000) 1.086 4.505 ( 2.440 6.654 0.000) 7.088 4.817 ( -1.905 -6.198 0.000) 6.484 5.106 ( -0.189 -0.477 0.000) 0.513 7.384 ( 0.098 0.180 0.000) 0.205 7.393 ( -0.104 -0.211 0.000) 0.235 9.796 ( -0.012 -0.021 0.000) 0.025 10.742 ( -0.005 -0.010 0.000) 0.011 10.742 ( -0.004 -0.008 0.000) 0.009 10.963 ( 0.471 1.046 0.000) 1.147 10.970 ( 0.823 1.134 0.000) 1.401 11.014 ( -0.834 -1.149 0.000) 1.420 11.021 ( -0.483 -1.069 0.000) 1.173 11.281 ( -0.160 0.209 0.000) 0.264 11.287 ( 0.227 -0.020 0.000) 0.228 13.988 ( 0.387 0.917 0.000) 0.995 13.996 ( -0.274 0.575 0.000) 0.636 14.023 ( 0.265 -0.395 0.000) 0.476 14.036 ( -0.269 -0.883 0.000) 0.923 22.071 ( 0.208 0.391 0.000) 0.443 22.247 ( 0.385 0.301 0.000) 0.489 22.265 ( -0.595 -0.693 0.000) 0.913 22.400 ( 0.737 2.710 0.000) 2.808 22.651 ( 0.265 -0.672 0.000) 0.722 22.738 ( -0.311 -5.063 0.000) 5.072 22.934 ( 0.096 0.155 0.000) 0.183 22.941 ( -0.103 -0.168 0.000) 0.197 22.984 ( -1.167 2.365 0.000) 2.637 23.322 ( 0.091 2.049 0.000) 2.051 23.415 ( 0.335 -1.495 0.000) 1.532 24.683 ( 0.033 0.157 0.000) 0.160 24.688 ( 0.255 0.209 0.000) 0.330 24.695 ( -0.247 -0.216 0.000) 0.328 24.700 ( -0.035 -0.139 0.000) 0.143 24.947 ( 0.001 0.001 0.000) 0.002 24.948 ( 0.001 0.003 0.000) 0.003 25.488 ( -0.003 -0.006 0.000) 0.007 27.273 ( -0.003 -0.006 0.000) 0.007 27.341 ( 0.205 0.350 0.000) 0.406 27.357 ( -0.214 -0.365 0.000) 0.423 27.384 ( 0.679 1.123 0.000) 1.312 27.436 ( -0.731 -1.196 0.000) 1.402 28.144 ( -0.030 -0.061 0.000) 0.068 28.665 ( -0.008 -0.010 0.000) 0.013 29.260 ( -0.337 -0.075 0.000) 0.345 29.313 ( 0.374 0.108 0.000) 0.390 29.354 ( -0.043 -1.743 0.000) 1.744 29.419 ( -0.013 1.228 0.000) 1.228 29.431 ( -0.713 0.439 0.000) 0.837 29.448 ( 0.550 -0.247 0.000) 0.603 29.476 ( -0.046 0.456 0.000) 0.459 29.484 ( 0.315 -0.043 0.000) 0.318 29.518 ( -0.005 -0.096 0.000) 0.096 29.545 ( 0.185 0.582 0.000) 0.610 29.572 ( -0.174 -0.572 0.000) 0.598 29.598 ( 0.005 0.105 0.000) 0.106 30.876 ( -0.001 0.005 0.000) 0.006 30.876 ( 0.004 -0.001 0.000) 0.004 55.581 ( 0.360 0.629 0.000) 0.725 55.609 ( -0.361 -0.632 0.000) 0.727 56.844 ( 0.074 0.804 0.000) 0.807 56.964 ( -0.244 -0.012 0.000) 0.245 56.999 ( 0.086 -1.279 0.000) 1.282 57.337 ( 0.041 -0.155 0.000) 0.160 57.598 ( -0.069 -0.107 0.000) 0.127 58.040 ( -0.008 -0.263 0.000) 0.263 58.065 ( -0.160 0.521 0.000) 0.545 58.092 ( 0.210 -0.638 0.000) 0.672 58.115 ( -0.305 2.821 0.000) 2.838 58.126 ( 0.031 0.495 0.000) 0.496 58.241 ( 0.357 -2.121 0.000) 2.150 59.029 ( 1.274 1.989 0.000) 2.362 59.114 ( -1.288 -1.829 0.000) 2.237 59.362 ( -0.001 0.009 0.000) 0.009 59.362 ( 0.007 0.001 0.000) 0.007 59.454 ( 0.017 0.100 0.000) 0.101 59.939 ( -0.065 -0.793 0.000) 0.796 60.027 ( -0.230 -0.276 0.000) 0.359 60.047 ( 0.355 -0.956 0.000) 1.020 60.093 ( -0.230 1.575 0.000) 1.592 60.134 ( -0.240 -0.035 0.000) 0.243 60.159 ( 0.324 0.039 0.000) 0.326 61.184 ( 0.697 1.180 0.000) 1.370 61.235 ( -0.636 -1.073 0.000) 1.248 61.953 ( 0.003 0.004 0.000) 0.005 ======================= Grid point 15 (7/35) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.000 -0.000 0.000) 0.000 1.119 ( -2.325 -4.028 0.000) 4.651 1.119 ( 2.325 4.028 0.000) 4.651 1.142 ( -0.000 -0.000 0.000) 0.000 1.241 ( -2.223 -3.850 0.000) 4.446 1.241 ( 2.223 3.850 0.000) 4.446 2.110 ( -5.437 -9.418 0.000) 10.875 2.110 ( 5.437 9.418 0.000) 10.875 2.200 ( -0.000 -0.000 0.000) 0.000 2.372 ( -0.000 -0.000 0.000) 0.000 2.564 ( -2.284 -3.956 0.000) 4.568 2.564 ( 2.284 3.956 0.000) 4.568 2.867 ( -0.584 -1.012 0.000) 1.169 2.867 ( 0.584 1.012 0.000) 1.169 2.892 ( -0.000 -0.000 0.000) 0.000 3.224 ( -2.223 -3.851 0.000) 4.447 3.224 ( 2.223 3.851 0.000) 4.447 3.295 ( -0.000 -0.000 0.000) 0.000 3.708 ( -1.509 -2.614 0.000) 3.018 3.708 ( 1.509 2.614 0.000) 3.018 3.919 ( -0.000 -0.000 0.000) 0.000 4.085 ( -0.000 -0.000 0.000) 0.000 4.266 ( -0.346 -0.599 0.000) 0.692 4.266 ( 0.346 0.599 0.000) 0.692 4.664 ( -4.083 -7.071 0.000) 8.165 4.664 ( 4.083 7.071 0.000) 8.165 5.100 ( -0.000 -0.000 0.000) 0.000 7.389 ( -0.114 -0.198 0.000) 0.228 7.389 ( 0.114 0.198 0.000) 0.228 9.796 ( -0.000 -0.000 0.000) 0.000 10.742 ( -0.001 -0.001 0.000) 0.001 10.742 ( 0.001 0.001 0.000) 0.001 10.984 ( 0.000 0.000 0.000) 0.000 10.992 ( -0.067 -0.116 0.000) 0.134 10.992 ( 0.067 0.116 0.000) 0.134 10.999 ( -0.000 -0.000 0.000) 0.000 11.285 ( -0.075 -0.130 0.000) 0.150 11.285 ( 0.075 0.130 0.000) 0.150 14.006 ( -0.000 -0.000 0.000) 0.000 14.008 ( -0.000 -0.000 0.000) 0.000 14.016 ( -0.269 -0.466 0.000) 0.538 14.016 ( 0.269 0.466 0.000) 0.538 22.075 ( -0.000 -0.000 0.000) 0.000 22.254 ( -0.192 -0.333 0.000) 0.384 22.254 ( 0.192 0.333 0.000) 0.384 22.436 ( -0.000 -0.000 0.000) 0.000 22.659 ( -1.012 -1.752 0.000) 2.023 22.659 ( 1.012 1.752 0.000) 2.023 22.937 ( -0.091 -0.157 0.000) 0.181 22.937 ( 0.091 0.157 0.000) 0.181 23.010 ( 0.000 0.000 0.000) 0.000 23.372 ( -1.248 -2.162 0.000) 2.496 23.372 ( 1.248 2.162 0.000) 2.496 24.686 ( -0.000 -0.000 0.000) 0.000 24.692 ( -0.052 -0.090 0.000) 0.103 24.692 ( 0.052 0.090 0.000) 0.103 24.698 ( -0.000 -0.000 0.000) 0.000 24.948 ( -0.001 -0.001 0.000) 0.002 24.948 ( 0.001 0.001 0.000) 0.002 25.488 ( -0.000 -0.000 0.000) 0.000 27.273 ( -0.000 -0.000 0.000) 0.000 27.349 ( -0.205 -0.355 0.000) 0.410 27.349 ( 0.205 0.355 0.000) 0.410 27.409 ( -0.657 -1.138 0.000) 1.315 27.409 ( 0.657 1.138 0.000) 1.315 28.143 ( -0.000 -0.000 0.000) 0.000 28.665 ( -0.000 -0.000 0.000) 0.000 29.260 ( -0.000 -0.000 0.000) 0.000 29.324 ( -0.522 -0.904 0.000) 1.044 29.324 ( 0.522 0.904 0.000) 1.044 29.435 ( -0.204 -0.354 0.000) 0.409 29.435 ( 0.204 0.354 0.000) 0.409 29.445 ( -0.000 -0.000 0.000) 0.000 29.481 ( -0.036 -0.062 0.000) 0.072 29.481 ( 0.036 0.062 0.000) 0.072 29.517 ( -0.000 -0.000 0.000) 0.000 29.559 ( -0.347 -0.602 0.000) 0.695 29.559 ( 0.347 0.602 0.000) 0.695 29.600 ( -0.000 -0.000 0.000) 0.000 30.876 ( -0.003 -0.005 0.000) 0.006 30.876 ( 0.003 0.005 0.000) 0.006 55.595 ( -0.365 -0.632 0.000) 0.730 55.595 ( 0.365 0.632 0.000) 0.730 56.854 ( -0.000 -0.000 0.000) 0.000 56.973 ( -0.494 -0.856 0.000) 0.989 56.973 ( 0.494 0.856 0.000) 0.989 57.335 ( -0.000 -0.000 0.000) 0.000 57.597 ( -0.000 -0.000 0.000) 0.000 58.037 ( -0.000 -0.000 0.000) 0.000 58.078 ( -0.340 -0.588 0.000) 0.679 58.078 ( 0.340 0.588 0.000) 0.679 58.131 ( -0.000 -0.000 0.000) 0.000 58.182 ( -1.663 -2.881 0.000) 3.326 58.182 ( 1.663 2.881 0.000) 3.326 59.073 ( -1.071 -1.854 0.000) 2.141 59.073 ( 1.071 1.854 0.000) 2.141 59.362 ( -0.004 -0.006 0.000) 0.007 59.362 ( 0.004 0.006 0.000) 0.007 59.455 ( -0.000 -0.000 0.000) 0.000 59.929 ( -0.000 -0.000 0.000) 0.000 60.030 ( -0.274 -0.475 0.000) 0.548 60.030 ( 0.274 0.475 0.000) 0.548 60.122 ( -0.548 -0.949 0.000) 1.096 60.122 ( 0.548 0.949 0.000) 1.096 60.160 ( -0.000 -0.000 0.000) 0.000 61.210 ( -0.641 -1.111 0.000) 1.282 61.210 ( 0.641 1.111 0.000) 1.282 61.953 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 43 (8/35) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( -0.000 -0.000 17.978) 17.978 0.373 ( 0.000 0.000 17.978) 17.978 0.678 ( -0.000 0.000 31.943) 31.943 1.570 ( 0.000 0.000 6.930) 6.930 1.871 ( 0.000 -0.000 8.848) 8.848 1.929 ( -0.000 0.000 -2.797) 2.797 1.929 ( 0.000 -0.000 -2.797) 2.797 2.267 ( 0.000 0.000 -0.500) 0.500 2.267 ( 0.000 -0.000 -0.500) 0.500 2.642 ( 0.000 -0.000 2.959) 2.959 2.650 ( 0.000 0.000 -2.571) 2.571 2.650 ( 0.000 0.000 -2.571) 2.571 2.833 ( 0.000 0.000 -0.756) 0.756 2.833 ( 0.000 -0.000 -0.756) 0.756 2.887 ( 0.000 -0.000 -4.669) 4.669 2.887 ( 0.000 0.000 -4.669) 4.669 3.001 ( 0.000 0.000 -0.396) 0.396 3.557 ( -0.000 0.000 6.195) 6.195 3.557 ( 0.000 0.000 6.195) 6.195 3.748 ( 0.000 -0.000 -0.268) 0.268 4.104 ( -0.000 0.000 0.512) 0.512 4.104 ( -0.000 0.000 0.512) 0.512 4.162 ( 0.000 0.000 -3.159) 3.159 4.229 ( -0.000 0.000 -0.490) 0.490 4.229 ( -0.000 -0.000 -0.490) 0.490 4.898 ( 0.000 -0.000 -7.466) 7.466 5.099 ( 0.000 0.000 1.750) 1.750 7.372 ( 0.000 0.000 -0.422) 0.422 7.407 ( 0.000 -0.000 0.351) 0.351 9.785 ( 0.000 0.000 -1.243) 1.243 10.750 ( -0.000 0.000 0.731) 0.731 10.750 ( 0.000 0.000 0.731) 0.731 10.914 ( -0.000 0.000 -0.243) 0.243 10.914 ( 0.000 0.000 -0.243) 0.243 11.065 ( 0.000 0.000 -0.371) 0.371 11.065 ( 0.000 -0.000 -0.371) 0.371 11.263 ( -0.000 0.000 -0.746) 0.746 11.263 ( 0.000 0.000 -0.746) 0.746 13.952 ( -0.000 0.000 -0.411) 0.411 13.952 ( 0.000 0.000 -0.411) 0.411 14.010 ( -0.000 0.000 -0.719) 0.719 14.010 ( -0.000 0.000 -0.719) 0.719 22.256 ( -0.000 0.000 -1.011) 1.011 22.256 ( 0.000 0.000 -1.011) 1.011 22.256 ( 0.000 0.000 4.650) 4.650 22.289 ( -0.000 0.000 5.383) 5.383 22.875 ( 0.000 0.000 0.045) 0.045 22.914 ( 0.000 0.000 -1.452) 1.452 22.914 ( 0.000 -0.000 -1.452) 1.452 22.924 ( 0.000 0.000 -0.210) 0.210 23.059 ( -0.000 -0.000 0.141) 0.141 23.224 ( 0.000 0.000 -1.741) 1.741 23.224 ( -0.000 0.000 -1.741) 1.741 24.679 ( -0.000 0.000 0.241) 0.241 24.679 ( -0.000 0.000 0.241) 0.241 24.709 ( 0.000 0.000 0.267) 0.267 24.709 ( 0.000 0.000 0.267) 0.267 24.950 ( -0.000 0.000 0.216) 0.216 24.950 ( -0.000 0.000 0.216) 0.216 25.489 ( 0.000 0.000 0.008) 0.008 27.277 ( 0.000 -0.000 0.272) 0.272 27.331 ( 0.000 0.000 0.098) 0.098 27.338 ( 0.000 -0.000 0.898) 0.898 27.409 ( 0.000 0.000 0.817) 0.817 27.494 ( 0.000 0.000 -0.051) 0.051 28.146 ( 0.000 0.000 -0.224) 0.224 28.665 ( 0.000 0.000 -0.075) 0.075 29.289 ( 0.000 0.000 -0.545) 0.545 29.289 ( 0.000 0.000 -0.545) 0.545 29.400 ( 0.000 0.000 -0.649) 0.649 29.400 ( -0.000 0.000 -0.649) 0.649 29.435 ( 0.000 0.000 -0.324) 0.324 29.436 ( 0.000 -0.000 -0.200) 0.200 29.439 ( 0.000 0.000 -0.419) 0.419 29.439 ( 0.000 0.000 -0.419) 0.419 29.531 ( -0.000 0.000 0.736) 0.736 29.531 ( -0.000 0.000 0.736) 0.736 29.600 ( -0.000 0.000 0.596) 0.596 29.600 ( -0.000 0.000 0.596) 0.596 30.877 ( 0.000 0.000 0.135) 0.135 30.877 ( 0.000 0.000 0.135) 0.135 55.597 ( 0.000 0.000 4.129) 4.129 56.364 ( 0.000 0.000 2.506) 2.506 56.777 ( 0.000 0.000 -2.945) 2.945 56.777 ( -0.000 0.000 -2.945) 2.945 56.981 ( -0.000 0.000 -4.574) 4.574 56.981 ( -0.000 0.000 -4.574) 4.574 57.971 ( 0.000 0.000 -4.471) 4.471 57.971 ( 0.000 0.000 -4.471) 4.471 58.078 ( 0.000 0.000 0.088) 0.088 58.097 ( -0.000 0.000 2.775) 2.775 58.097 ( -0.000 0.000 2.775) 2.775 58.157 ( 0.000 0.000 3.556) 3.556 58.157 ( -0.000 0.000 3.556) 3.556 58.931 ( 0.000 0.000 -0.419) 0.419 59.204 ( 0.000 0.000 0.077) 0.077 59.379 ( -0.000 0.000 1.590) 1.590 59.379 ( 0.000 0.000 1.590) 1.590 59.448 ( 0.000 0.000 -0.436) 0.436 59.975 ( 0.000 0.000 -0.017) 0.017 59.975 ( 0.000 0.000 -0.017) 0.017 60.069 ( 0.000 0.000 -0.202) 0.202 60.069 ( 0.000 0.000 -0.202) 0.202 60.125 ( 0.000 0.000 -0.324) 0.324 60.125 ( -0.000 0.000 -0.324) 0.324 61.129 ( 0.000 0.000 0.275) 0.275 61.284 ( 0.000 -0.000 0.192) 0.192 61.958 ( 0.000 -0.000 0.442) 0.442 ======================= Grid point 44 (9/35) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 10.044 5.799 12.763) 17.245 0.527 ( 10.961 6.328 12.204) 17.582 0.944 ( 18.671 10.780 21.668) 30.566 1.544 ( -2.289 -1.321 7.137) 7.611 1.719 ( -9.670 -5.583 1.428) 11.257 1.749 ( -11.914 -6.878 -0.785) 13.779 1.831 ( -7.732 -4.464 7.030) 11.364 2.314 ( 1.235 0.713 -0.988) 1.735 2.354 ( 4.027 2.325 -1.706) 4.953 2.591 ( -4.201 -2.426 -2.544) 5.478 2.644 ( 0.511 0.295 -1.621) 1.725 2.701 ( 2.466 1.424 -0.209) 2.855 2.813 ( -1.024 -0.591 -2.205) 2.502 2.845 ( 1.620 0.936 -0.763) 2.021 2.864 ( -1.115 -0.644 -0.821) 1.527 2.944 ( 2.418 1.396 -4.810) 5.562 3.047 ( 3.061 1.767 -2.401) 4.273 3.435 ( -9.482 -5.474 5.824) 12.401 3.582 ( 1.966 1.135 5.676) 6.113 3.639 ( 1.879 1.085 5.395) 5.815 4.064 ( -2.277 -1.315 -0.059) 2.630 4.137 ( 1.705 0.984 0.851) 2.145 4.204 ( 1.530 0.884 -3.012) 3.492 4.268 ( 3.953 2.282 0.043) 4.565 4.293 ( 0.516 0.298 0.933) 1.107 4.975 ( 2.956 1.707 -10.955) 11.475 5.019 ( -4.801 -2.772 1.432) 5.726 7.374 ( 0.147 0.085 -0.386) 0.421 7.404 ( -0.181 -0.104 0.304) 0.369 9.784 ( -0.037 -0.021 -1.243) 1.243 10.750 ( -0.007 -0.004 0.739) 0.739 10.750 ( -0.004 -0.002 0.741) 0.741 10.923 ( 0.682 0.394 -0.222) 0.818 10.924 ( 0.754 0.435 -0.230) 0.900 11.056 ( -0.728 -0.420 -0.303) 0.894 11.057 ( -0.664 -0.383 -0.322) 0.831 11.265 ( 0.142 0.082 -0.870) 0.886 11.268 ( 0.210 0.121 -1.142) 1.168 13.956 ( 0.366 0.211 -0.450) 0.618 13.973 ( 0.638 0.368 -1.217) 1.422 14.012 ( 0.194 0.112 -0.732) 0.765 14.023 ( 0.668 0.385 -1.853) 2.007 22.162 ( -2.245 -1.296 6.275) 6.789 22.280 ( 1.673 0.966 -0.351) 1.963 22.295 ( 0.646 0.373 4.747) 4.806 22.340 ( 1.665 0.961 2.254) 2.962 22.727 ( -5.947 -3.434 3.586) 7.747 22.878 ( -2.573 -1.486 -1.364) 3.270 22.921 ( -0.267 -0.154 -1.833) 1.859 22.926 ( 0.131 0.076 -0.247) 0.289 22.976 ( -1.663 -0.960 0.635) 2.023 23.240 ( 1.156 0.668 -1.974) 2.383 23.350 ( 3.244 1.873 -5.156) 6.373 24.680 ( 0.094 0.054 0.234) 0.258 24.681 ( 0.171 0.099 0.242) 0.312 24.707 ( -0.161 -0.093 0.264) 0.323 24.708 ( -0.090 -0.052 0.269) 0.288 24.950 ( 0.004 0.002 0.217) 0.217 24.950 ( 0.005 0.003 0.217) 0.217 25.489 ( -0.009 -0.005 0.009) 0.014 27.276 ( -0.032 -0.019 0.281) 0.283 27.337 ( 0.400 0.231 0.601) 0.758 27.343 ( 0.547 0.316 0.405) 0.750 27.394 ( -0.762 -0.440 1.496) 1.736 27.483 ( -0.871 -0.503 -0.050) 1.006 28.145 ( -0.086 -0.050 -0.219) 0.240 28.664 ( -0.067 -0.038 -0.120) 0.143 29.278 ( -0.828 -0.478 -0.593) 1.125 29.294 ( 0.350 0.202 -0.615) 0.736 29.393 ( -0.570 -0.329 -0.563) 0.865 29.397 ( -0.204 -0.118 -0.640) 0.682 29.429 ( -0.206 -0.119 -0.227) 0.328 29.435 ( 0.269 0.156 -0.319) 0.446 29.450 ( 0.555 0.321 -0.441) 0.778 29.455 ( 0.887 0.512 -0.570) 1.172 29.530 ( -0.087 -0.051 0.721) 0.728 29.536 ( 0.350 0.202 0.790) 0.887 29.597 ( -0.266 -0.153 0.617) 0.689 29.601 ( 0.093 0.054 0.611) 0.620 30.877 ( 0.006 0.004 0.141) 0.142 30.878 ( 0.044 0.025 0.177) 0.184 55.604 ( 0.629 0.363 4.365) 4.425 55.954 ( -14.004 -8.085 18.194) 24.342 56.784 ( 0.551 0.318 -2.930) 2.998 56.914 ( 1.152 0.665 -6.487) 6.622 56.976 ( -0.436 -0.252 -4.613) 4.641 57.067 ( 4.792 2.767 -12.231) 13.424 57.802 ( -5.145 -2.970 6.886) 9.094 57.975 ( 0.262 0.151 -4.625) 4.635 58.080 ( -1.100 -0.635 1.295) 1.814 58.089 ( -0.545 -0.315 2.253) 2.340 58.165 ( 1.170 0.676 1.618) 2.108 58.172 ( 1.057 0.610 2.994) 3.233 58.193 ( 2.148 1.240 -0.531) 2.537 58.947 ( 1.292 0.746 -0.478) 1.567 59.181 ( -1.506 -0.870 -0.359) 1.776 59.380 ( 0.080 0.046 1.660) 1.662 59.392 ( 0.444 0.256 2.144) 2.205 59.446 ( -0.077 -0.044 -0.459) 0.467 59.968 ( -0.553 -0.319 -0.005) 0.639 60.010 ( 1.499 0.866 -1.067) 2.034 60.066 ( -0.161 -0.093 -0.163) 0.247 60.066 ( -0.327 -0.189 -0.368) 0.527 60.128 ( 0.212 0.122 -0.459) 0.520 60.136 ( 0.602 0.348 -0.520) 0.869 61.140 ( 0.847 0.489 0.260) 1.012 61.276 ( -0.671 -0.388 0.193) 0.799 61.958 ( 0.010 0.006 0.444) 0.444 ======================= Grid point 45 (10/35) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 12.612 7.281 7.566) 16.411 0.828 ( 13.442 7.761 8.591) 17.740 1.382 ( 5.057 2.919 7.075) 9.174 1.414 ( -9.578 -5.530 3.286) 11.537 1.467 ( -5.690 -3.285 4.625) 8.036 1.530 ( 0.984 0.568 5.083) 5.208 1.649 ( -5.479 -3.163 9.420) 11.348 2.239 ( -8.480 -4.896 0.315) 9.796 2.382 ( -0.647 -0.374 1.399) 1.586 2.500 ( -2.851 -1.646 -3.082) 4.510 2.659 ( 0.345 0.199 -2.719) 2.748 2.747 ( 1.908 1.102 -0.909) 2.384 2.815 ( 0.771 0.445 -0.920) 1.280 2.841 ( -0.467 -0.270 0.002) 0.539 2.893 ( 1.224 0.706 -1.711) 2.219 2.981 ( 1.691 0.977 -0.372) 1.988 3.099 ( 0.175 0.101 -0.366) 0.418 3.304 ( -1.583 -0.914 -4.067) 4.459 3.636 ( 2.143 1.237 5.031) 5.607 3.722 ( 3.916 2.261 3.091) 5.477 4.009 ( -2.072 -1.196 0.141) 2.396 4.174 ( 0.783 0.452 -0.486) 1.026 4.217 ( -0.188 -0.108 -1.036) 1.059 4.269 ( -1.088 -0.628 4.336) 4.514 4.396 ( 5.895 3.403 -0.361) 6.816 4.868 ( -6.043 -3.489 -3.880) 7.985 5.037 ( 1.245 0.719 -6.074) 6.242 7.378 ( 0.237 0.137 -0.276) 0.389 7.399 ( -0.265 -0.153 0.182) 0.356 9.784 ( -0.037 -0.021 -1.242) 1.243 10.750 ( -0.014 -0.008 0.756) 0.756 10.750 ( -0.007 -0.004 0.755) 0.755 10.944 ( 1.004 0.580 -0.164) 1.171 10.948 ( 1.196 0.690 -0.220) 1.398 11.032 ( -1.175 -0.679 -0.168) 1.368 11.036 ( -0.998 -0.576 -0.254) 1.180 11.266 ( -0.026 -0.015 -1.099) 1.100 11.273 ( 0.220 0.127 -1.158) 1.185 13.969 ( 0.610 0.352 -0.573) 0.907 13.980 ( 0.177 0.102 -0.825) 0.850 14.015 ( -0.064 -0.037 -1.056) 1.059 14.030 ( 0.020 0.012 -1.410) 1.411 22.138 ( -0.258 -0.149 6.153) 6.160 22.301 ( 0.605 0.350 5.265) 5.311 22.337 ( 1.158 0.669 1.048) 1.699 22.351 ( 0.612 0.353 3.726) 3.792 22.653 ( -1.164 -0.672 -0.753) 1.540 22.811 ( -2.647 -1.528 -1.261) 3.306 22.907 ( -0.713 -0.412 -2.699) 2.822 22.930 ( 0.230 0.133 -0.192) 0.327 22.950 ( -0.698 -0.403 0.029) 0.806 23.268 ( 1.014 0.586 -2.372) 2.645 23.388 ( 0.598 0.345 -3.593) 3.659 24.683 ( 0.114 0.066 0.212) 0.250 24.687 ( 0.290 0.168 0.244) 0.415 24.702 ( -0.282 -0.163 0.254) 0.413 24.706 ( -0.110 -0.064 0.279) 0.306 24.950 ( 0.004 0.002 0.219) 0.219 24.950 ( 0.004 0.002 0.220) 0.220 25.488 ( -0.009 -0.005 0.010) 0.015 27.276 ( -0.019 -0.011 0.262) 0.263 27.347 ( 0.390 0.225 1.053) 1.145 27.365 ( 1.106 0.639 -0.016) 1.277 27.379 ( -0.531 -0.307 1.333) 1.467 27.456 ( -1.276 -0.737 -0.047) 1.475 28.143 ( -0.089 -0.051 -0.207) 0.231 28.663 ( -0.036 -0.021 -0.186) 0.191 29.258 ( -0.709 -0.409 -0.672) 1.059 29.303 ( 0.346 0.200 -0.757) 0.856 29.378 ( -0.565 -0.326 -0.522) 0.835 29.393 ( -0.081 -0.047 -0.504) 0.513 29.425 ( -0.145 -0.083 -0.183) 0.248 29.444 ( 0.415 0.240 -0.394) 0.621 29.461 ( 0.352 0.203 -0.533) 0.670 29.474 ( 0.650 0.375 -0.519) 0.912 29.528 ( -0.086 -0.050 0.687) 0.695 29.546 ( 0.397 0.229 0.804) 0.925 29.589 ( -0.365 -0.211 0.687) 0.806 29.604 ( 0.079 0.046 0.636) 0.643 30.877 ( 0.007 0.004 0.155) 0.155 30.879 ( 0.016 0.009 0.239) 0.239 55.626 ( 1.097 0.634 5.091) 5.247 55.760 ( -4.360 -2.517 11.539) 12.589 56.799 ( 0.609 0.352 -2.873) 2.958 56.918 ( -0.108 -0.063 -4.616) 4.618 56.962 ( -0.606 -0.350 -4.839) 4.889 57.131 ( 1.217 0.703 -13.128) 13.203 57.733 ( -1.429 -0.825 7.197) 7.384 57.982 ( 0.316 0.182 -4.951) 4.964 58.054 ( -0.901 -0.520 -0.352) 1.099 58.077 ( -0.392 -0.226 1.501) 1.568 58.188 ( 0.709 0.410 5.341) 5.404 58.198 ( 0.998 0.576 1.679) 2.036 58.218 ( 0.343 0.198 0.838) 0.927 58.988 ( 2.009 1.160 -0.630) 2.404 59.138 ( -2.026 -1.170 -0.682) 2.437 59.382 ( 0.093 0.054 1.815) 1.818 59.397 ( 0.063 0.036 2.803) 2.804 59.445 ( -0.000 -0.000 -0.604) 0.604 59.953 ( -0.578 -0.333 0.037) 0.668 60.030 ( 0.133 0.077 -0.450) 0.476 60.058 ( -0.092 -0.053 -0.082) 0.134 60.067 ( 0.255 0.147 -0.262) 0.394 60.128 ( -0.215 -0.124 -0.508) 0.566 60.150 ( 0.561 0.324 -0.443) 0.785 61.166 ( 1.231 0.711 0.229) 1.440 61.255 ( -1.058 -0.611 0.197) 1.237 61.958 ( 0.011 0.007 0.448) 0.448 ======================= Grid point 46 (11/35) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.000 0.000 4.719) 4.719 1.087 ( 0.000 0.000 7.766) 7.766 1.159 ( -0.000 -0.000 4.654) 4.654 1.220 ( -0.000 -0.000 4.873) 4.873 1.369 ( 0.000 0.000 3.357) 3.357 1.581 ( 0.000 0.000 8.231) 8.231 1.868 ( 0.000 0.000 2.354) 2.354 1.979 ( 0.000 0.000 6.752) 6.752 2.365 ( 0.000 0.000 4.143) 4.143 2.468 ( -0.000 -0.000 -4.582) 4.582 2.658 ( 0.000 0.000 -2.829) 2.829 2.785 ( 0.000 0.000 -1.776) 1.776 2.821 ( 0.000 0.000 0.983) 0.983 2.838 ( 0.000 0.000 -0.972) 0.972 2.900 ( 0.000 0.000 -2.779) 2.779 3.023 ( 0.000 0.000 5.526) 5.526 3.074 ( 0.000 0.000 -2.176) 2.176 3.302 ( 0.000 0.000 -8.694) 8.694 3.664 ( 0.000 0.000 4.930) 4.930 3.778 ( 0.000 0.000 1.444) 1.444 3.981 ( 0.000 0.000 0.466) 0.466 4.166 ( 0.000 0.000 1.223) 1.223 4.221 ( 0.000 0.000 -0.518) 0.518 4.260 ( 0.000 0.000 3.484) 3.484 4.489 ( 0.000 0.000 0.383) 0.383 4.774 ( 0.000 0.000 -5.916) 5.916 5.051 ( 0.000 0.000 -4.906) 4.906 7.382 ( 0.000 0.000 -0.176) 0.176 7.394 ( 0.000 0.000 0.080) 0.080 9.783 ( 0.000 0.000 -1.242) 1.242 10.750 ( -0.001 -0.001 0.759) 0.759 10.750 ( 0.001 0.001 0.762) 0.762 10.960 ( 0.000 0.000 -0.109) 0.109 10.969 ( 0.000 0.000 -0.267) 0.267 11.011 ( 0.000 0.000 -0.054) 0.054 11.020 ( 0.000 0.000 -0.253) 0.253 11.266 ( 0.000 0.000 -1.139) 1.139 11.276 ( 0.000 0.000 -1.221) 1.221 13.977 ( 0.000 0.000 -0.819) 0.819 13.985 ( 0.000 0.000 -0.430) 0.430 14.011 ( 0.000 0.000 -1.511) 1.511 14.030 ( 0.000 0.000 -0.889) 0.889 22.136 ( 0.000 0.000 5.830) 5.830 22.314 ( 0.000 0.000 5.717) 5.717 22.329 ( -0.000 -0.000 5.476) 5.476 22.378 ( 0.000 0.000 -0.489) 0.489 22.643 ( 0.000 0.000 -1.348) 1.348 22.774 ( 0.000 0.000 -1.215) 1.215 22.897 ( 0.000 0.000 -3.269) 3.269 22.936 ( -0.000 -0.000 -0.131) 0.131 22.940 ( 0.000 0.000 -0.106) 0.106 23.281 ( 0.000 0.000 -2.552) 2.552 23.393 ( 0.000 0.000 -3.191) 3.191 24.685 ( 0.000 0.000 0.196) 0.196 24.694 ( -0.000 -0.000 0.301) 0.301 24.695 ( 0.000 0.000 0.194) 0.194 24.704 ( 0.000 0.000 0.289) 0.289 24.950 ( -0.000 -0.000 0.221) 0.221 24.950 ( 0.000 0.000 0.221) 0.221 25.488 ( 0.000 0.000 0.011) 0.011 27.275 ( 0.000 0.000 0.255) 0.255 27.353 ( 0.000 0.000 1.118) 1.118 27.371 ( 0.000 0.000 1.221) 1.221 27.384 ( 0.000 0.000 -0.047) 0.047 27.435 ( 0.000 0.000 -0.044) 0.044 28.142 ( 0.000 0.000 -0.202) 0.202 28.662 ( 0.000 0.000 -0.205) 0.205 29.249 ( 0.000 0.000 -0.704) 0.704 29.307 ( 0.000 0.000 -0.837) 0.837 29.370 ( 0.000 0.000 -0.503) 0.503 29.393 ( 0.000 0.000 -0.446) 0.446 29.423 ( 0.000 0.000 -0.141) 0.141 29.450 ( 0.000 0.000 -0.420) 0.420 29.466 ( 0.000 0.000 -0.599) 0.599 29.483 ( 0.000 0.000 -0.449) 0.449 29.526 ( 0.000 0.000 0.669) 0.669 29.551 ( 0.000 0.000 0.749) 0.749 29.583 ( 0.000 0.000 0.754) 0.754 29.605 ( 0.000 0.000 0.643) 0.643 30.877 ( 0.000 0.000 0.163) 0.163 30.879 ( 0.000 0.000 0.255) 0.255 55.646 ( 0.000 0.000 5.942) 5.942 55.705 ( 0.000 0.000 8.503) 8.503 56.807 ( 0.000 0.000 -2.829) 2.829 56.917 ( 0.000 0.000 -4.011) 4.011 56.953 ( 0.000 0.000 -5.130) 5.130 57.144 ( 0.000 0.000 -12.996) 12.996 57.717 ( 0.000 0.000 6.995) 6.995 57.987 ( 0.000 0.000 -5.163) 5.163 58.043 ( 0.000 0.000 -0.895) 0.895 58.072 ( 0.000 0.000 1.259) 1.259 58.197 ( 0.000 0.000 5.972) 5.972 58.214 ( 0.000 0.000 -3.201) 3.201 58.218 ( 0.000 0.000 6.306) 6.306 59.023 ( 0.000 0.000 -0.775) 0.775 59.104 ( 0.000 0.000 -0.657) 0.657 59.384 ( 0.000 0.000 1.896) 1.896 59.398 ( 0.000 0.000 2.950) 2.950 59.446 ( 0.000 0.000 -0.691) 0.691 59.946 ( 0.000 0.000 0.073) 0.073 60.028 ( 0.000 0.000 -0.135) 0.135 60.058 ( 0.000 0.000 -0.102) 0.102 60.073 ( 0.000 0.000 -0.274) 0.274 60.124 ( 0.000 0.000 -0.442) 0.442 60.158 ( 0.000 0.000 -0.482) 0.482 61.186 ( 0.000 0.000 0.208) 0.208 61.237 ( 0.000 0.000 0.204) 0.204 61.958 ( 0.000 0.000 0.451) 0.451 ======================= Grid point 51 (12/35) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 6.441 11.156 9.010) 15.720 0.746 ( 7.729 13.387 9.363) 18.073 1.295 ( 10.899 18.878 12.305) 25.031 1.492 ( -2.840 -4.920 5.996) 8.260 1.533 ( -5.131 -8.887 0.963) 10.307 1.535 ( -6.592 -11.418 2.010) 13.337 1.681 ( -5.212 -9.027 9.718) 14.251 2.348 ( -0.201 -0.348 0.015) 0.402 2.353 ( -1.019 -1.766 -2.525) 3.246 2.496 ( -2.977 -5.157 -0.703) 5.996 2.613 ( -1.236 -2.141 -0.279) 2.487 2.762 ( -2.062 -3.572 -2.195) 4.672 2.799 ( 2.312 4.005 -2.187) 5.115 2.856 ( -0.012 -0.020 1.316) 1.316 2.868 ( 1.648 2.855 -0.684) 3.367 2.994 ( 1.225 2.122 -2.536) 3.527 3.110 ( 2.322 4.022 -3.427) 5.772 3.311 ( -2.806 -4.861 0.269) 5.619 3.625 ( 1.640 2.841 4.719) 5.747 3.692 ( 2.049 3.548 4.116) 5.808 4.017 ( -1.636 -2.834 0.111) 3.275 4.174 ( 1.196 2.072 0.164) 2.398 4.225 ( 0.586 1.015 -2.695) 2.939 4.271 ( -1.290 -2.234 4.360) 5.066 4.360 ( 3.496 6.055 -0.514) 7.010 4.905 ( -3.782 -6.551 -3.108) 8.178 5.027 ( 0.979 1.696 -6.536) 6.823 7.377 ( 0.136 0.236 -0.310) 0.413 7.400 ( -0.158 -0.274 0.219) 0.385 9.784 ( -0.024 -0.042 -1.242) 1.243 10.750 ( -0.005 -0.009 0.750) 0.750 10.750 ( -0.008 -0.014 0.754) 0.754 10.938 ( 0.608 1.052 -0.186) 1.229 10.941 ( 0.663 1.148 -0.211) 1.343 11.039 ( -0.651 -1.127 -0.214) 1.319 11.041 ( -0.600 -1.040 -0.259) 1.228 11.269 ( 0.021 0.037 -1.197) 1.198 11.269 ( 0.126 0.218 -1.013) 1.044 13.966 ( 0.393 0.680 -0.506) 0.934 13.981 ( 0.194 0.336 -1.038) 1.108 14.014 ( 0.032 0.055 -0.706) 0.709 14.029 ( -0.043 -0.074 -1.746) 1.748 22.140 ( -0.290 -0.502 6.300) 6.327 22.298 ( 0.324 0.561 5.052) 5.093 22.330 ( 1.683 2.916 -0.595) 3.419 22.349 ( -0.189 -0.328 4.931) 4.945 22.659 ( -1.315 -2.277 0.102) 2.631 22.805 ( -2.540 -4.400 -1.275) 5.238 22.928 ( 0.098 0.170 -0.173) 0.262 22.929 ( 0.245 0.424 -1.895) 1.957 22.963 ( -0.257 -0.445 -0.560) 0.760 23.264 ( 0.888 1.538 -2.288) 2.896 23.378 ( 0.307 0.532 -3.869) 3.917 24.683 ( 0.084 0.145 0.220) 0.276 24.685 ( 0.142 0.245 0.241) 0.372 24.704 ( -0.139 -0.240 0.258) 0.379 24.706 ( -0.078 -0.135 0.275) 0.316 24.950 ( 0.003 0.004 0.218) 0.219 24.950 ( 0.003 0.005 0.220) 0.220 25.489 ( -0.006 -0.011 0.010) 0.016 27.276 ( -0.013 -0.023 0.267) 0.268 27.344 ( 0.228 0.396 1.013) 1.111 27.358 ( 0.620 1.074 0.013) 1.240 27.382 ( -0.342 -0.592 1.388) 1.547 27.464 ( -0.738 -1.279 -0.049) 1.477 28.143 ( -0.060 -0.104 -0.210) 0.242 28.663 ( -0.026 -0.044 -0.174) 0.182 29.264 ( -0.407 -0.705 -0.644) 1.038 29.298 ( 0.129 0.223 -0.697) 0.743 29.374 ( -0.782 -1.355 -0.597) 1.674 29.401 ( 0.335 0.580 -0.451) 0.808 29.432 ( 0.070 0.121 -0.294) 0.326 29.437 ( 0.121 0.209 -0.282) 0.371 29.461 ( 0.368 0.638 -0.461) 0.869 29.468 ( 0.340 0.589 -0.639) 0.933 29.528 ( -0.076 -0.132 0.690) 0.707 29.544 ( 0.280 0.485 0.822) 0.994 29.590 ( -0.262 -0.453 0.647) 0.833 29.604 ( 0.078 0.134 0.644) 0.663 30.877 ( 0.008 0.014 0.156) 0.157 30.879 ( 0.009 0.016 0.223) 0.224 55.619 ( 0.587 1.016 4.842) 4.982 55.792 ( -3.399 -5.887 13.181) 14.831 56.797 ( 0.493 0.854 -2.901) 3.064 56.918 ( -0.079 -0.136 -5.017) 5.019 56.964 ( -0.476 -0.824 -4.621) 4.718 57.122 ( 1.062 1.840 -13.146) 13.317 57.743 ( -1.222 -2.116 7.264) 7.664 57.984 ( 0.383 0.663 -4.857) 4.917 58.068 ( -0.533 -0.924 -0.588) 1.218 58.070 ( -0.445 -0.771 1.673) 1.895 58.185 ( 0.476 0.825 4.438) 4.539 58.188 ( 0.628 1.088 2.897) 3.158 58.216 ( 0.392 0.679 0.290) 0.835 58.976 ( 1.137 1.969 -0.582) 2.347 59.151 ( -1.150 -1.992 -0.672) 2.396 59.382 ( 0.092 0.159 1.821) 1.831 59.396 ( 0.045 0.078 2.662) 2.664 59.446 ( -0.006 -0.010 -0.571) 0.571 59.954 ( -0.487 -0.844 0.025) 0.974 60.028 ( 0.262 0.454 -0.442) 0.685 60.056 ( -0.324 -0.561 -0.040) 0.649 60.072 ( 0.321 0.555 -0.527) 0.830 60.130 ( 0.047 0.082 -0.479) 0.488 60.146 ( 0.272 0.472 -0.444) 0.703 61.159 ( 0.719 1.245 0.237) 1.457 61.261 ( -0.603 -1.044 0.195) 1.221 61.958 ( 0.007 0.013 0.446) 0.447 ======================= Grid point 52 (13/35) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 10.192 7.749 5.596) 13.973 1.038 ( 9.189 11.685 8.132) 16.945 1.241 ( -9.932 -8.696 2.977) 13.532 1.294 ( -4.945 -6.738 1.966) 8.586 1.382 ( -7.436 -4.632 7.866) 11.773 1.526 ( 1.046 -8.144 8.892) 12.103 1.781 ( 13.181 16.955 5.192) 22.095 2.165 ( -14.553 -2.288 0.766) 14.752 2.372 ( 2.936 -2.563 0.070) 3.898 2.417 ( -0.994 -4.466 0.402) 4.593 2.582 ( 1.442 -3.771 0.576) 4.078 2.702 ( 1.891 -6.402 -0.475) 6.692 2.838 ( -0.611 1.708 0.433) 1.865 2.868 ( 0.856 1.542 -0.134) 1.769 2.909 ( -0.418 0.183 -1.864) 1.919 3.058 ( 1.454 6.149 -0.399) 6.331 3.143 ( -4.446 3.492 -2.595) 6.220 3.269 ( 2.269 -2.616 -6.701) 7.543 3.679 ( 0.426 2.926 4.166) 5.109 3.758 ( 2.057 0.775 2.390) 3.247 3.964 ( -0.429 -2.754 0.557) 2.843 4.188 ( -1.568 0.378 2.660) 3.111 4.230 ( -0.200 1.128 -0.314) 1.187 4.251 ( 0.709 -0.605 1.329) 1.624 4.492 ( 3.136 5.744 -1.058) 6.629 4.766 ( -3.022 -6.176 -4.592) 8.268 5.049 ( 0.325 0.322 -4.893) 4.915 7.382 ( 0.137 0.244 -0.178) 0.332 7.394 ( -0.144 -0.272 0.085) 0.320 9.783 ( -0.012 -0.021 -1.242) 1.242 10.750 ( -0.006 -0.009 0.760) 0.760 10.750 ( -0.001 -0.006 0.761) 0.761 10.962 ( 0.499 1.072 -0.121) 1.189 10.967 ( 0.785 1.139 -0.218) 1.400 11.013 ( -0.776 -1.137 -0.113) 1.381 11.018 ( -0.500 -1.062 -0.233) 1.197 11.268 ( -0.138 0.173 -1.174) 1.194 11.274 ( 0.189 -0.032 -1.198) 1.213 13.981 ( 0.136 0.807 -0.748) 1.109 13.987 ( 0.189 0.523 -0.793) 0.969 14.011 ( -0.318 -0.342 -1.090) 1.186 14.024 ( 0.194 -0.653 -1.035) 1.239 22.138 ( -0.021 0.128 5.890) 5.892 22.310 ( 0.467 0.459 5.686) 5.724 22.333 ( -0.611 -0.658 5.860) 5.928 22.388 ( 0.766 2.557 -0.964) 2.838 22.636 ( 0.219 -0.693 -1.278) 1.470 22.724 ( -0.345 -5.074 -1.293) 5.248 22.930 ( -0.245 0.536 -0.658) 0.883 22.937 ( 0.146 0.390 -0.650) 0.772 22.954 ( -1.200 1.295 -2.036) 2.694 23.293 ( 0.055 1.869 -2.613) 3.213 23.379 ( 0.464 -1.274 -3.185) 3.461 24.685 ( 0.026 0.145 0.196) 0.245 24.691 ( 0.260 0.203 0.241) 0.408 24.698 ( -0.252 -0.214 0.252) 0.415 24.703 ( -0.030 -0.128 0.291) 0.320 24.950 ( 0.001 0.002 0.221) 0.221 24.950 ( 0.002 0.003 0.220) 0.220 25.488 ( -0.003 -0.006 0.011) 0.013 27.275 ( -0.006 -0.009 0.255) 0.255 27.353 ( 0.230 0.377 1.110) 1.194 27.371 ( -0.266 -0.430 1.234) 1.333 27.383 ( 0.674 1.117 -0.045) 1.305 27.435 ( -0.729 -1.198 -0.049) 1.403 28.141 ( -0.029 -0.058 -0.201) 0.211 28.662 ( -0.011 -0.014 -0.204) 0.205 29.253 ( -0.351 -0.086 -0.697) 0.785 29.305 ( 0.322 0.157 -0.746) 0.828 29.348 ( -0.001 -1.767 -0.550) 1.851 29.415 ( -0.086 1.325 -0.398) 1.386 29.429 ( -0.595 0.366 -0.227) 0.735 29.444 ( 0.500 -0.235 -0.363) 0.661 29.469 ( -0.107 0.444 -0.577) 0.736 29.478 ( 0.407 -0.059 -0.526) 0.667 29.525 ( -0.007 -0.122 0.653) 0.664 29.554 ( 0.146 0.556 0.772) 0.963 29.580 ( -0.130 -0.566 0.710) 0.917 29.606 ( -0.002 0.130 0.671) 0.683 30.878 ( -0.003 0.024 0.175) 0.177 30.879 ( 0.010 -0.014 0.241) 0.242 55.644 ( 0.778 1.120 5.784) 5.942 55.709 ( -1.517 -2.176 8.776) 9.168 56.813 ( 0.089 0.832 -2.837) 2.958 56.916 ( 0.062 0.005 -4.307) 4.307 56.946 ( -0.157 -1.116 -4.766) 4.898 57.144 ( 0.256 0.402 -12.943) 12.951 57.716 ( -0.299 -0.661 6.951) 6.989 57.998 ( -0.086 1.247 -5.059) 5.211 58.046 ( -0.651 -0.454 -1.493) 1.691 58.063 ( 0.321 -0.919 0.693) 1.195 58.199 ( 0.107 0.575 4.883) 4.918 58.208 ( 0.650 0.381 1.401) 1.591 58.221 ( -0.137 0.010 3.764) 3.766 59.021 ( 1.211 1.919 -0.738) 2.386 59.106 ( -1.222 -1.869 -0.751) 2.356 59.386 ( -0.007 0.251 2.057) 2.072 59.396 ( 0.035 -0.144 2.823) 2.827 59.446 ( 0.005 0.055 -0.708) 0.710 59.940 ( -0.056 -0.773 0.067) 0.778 60.027 ( -0.194 -0.103 0.029) 0.222 60.047 ( 0.305 -0.856 0.036) 0.909 60.087 ( -0.106 1.480 -0.523) 1.573 60.128 ( -0.217 -0.112 -0.567) 0.617 60.154 ( 0.279 0.098 -0.388) 0.488 61.186 ( 0.690 1.172 0.212) 1.376 61.237 ( -0.633 -1.072 0.200) 1.261 61.958 ( 0.004 0.006 0.451) 0.451 ======================= Grid point 58 (14/35) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 47 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -0.000 -0.000 3.430) 3.430 1.152 ( -1.811 -3.137 3.156) 4.805 1.152 ( 1.811 3.137 3.156) 4.805 1.254 ( -0.000 -0.000 9.379) 9.379 1.343 ( -1.937 -3.354 8.608) 9.439 1.343 ( 1.937 3.354 8.608) 9.439 2.095 ( -4.743 -8.215 -0.947) 9.533 2.095 ( 4.743 8.215 -0.947) 9.533 2.243 ( -0.000 -0.000 4.319) 4.319 2.394 ( -0.000 -0.000 1.974) 1.974 2.581 ( -1.958 -3.391 1.639) 4.245 2.581 ( 1.958 3.391 1.639) 4.245 2.880 ( -0.364 -0.631 0.811) 1.090 2.880 ( 0.364 0.631 0.811) 1.090 2.884 ( -0.000 -0.000 -0.970) 0.970 3.182 ( -0.000 -0.000 -8.493) 8.493 3.191 ( -1.420 -2.459 -2.858) 4.029 3.191 ( 1.420 2.459 -2.858) 4.029 3.741 ( -1.199 -2.076 2.936) 3.791 3.741 ( 1.199 2.076 2.936) 3.791 3.927 ( -0.000 -0.000 0.817) 0.817 4.188 ( -0.000 -0.000 7.737) 7.737 4.247 ( -0.144 -0.249 -1.843) 1.865 4.247 ( 0.144 0.249 -1.843) 1.865 4.626 ( -3.502 -6.066 -3.273) 7.732 4.626 ( 3.502 6.066 -3.273) 7.732 5.051 ( -0.000 -0.000 -4.312) 4.312 7.388 ( -0.150 -0.260 -0.045) 0.304 7.388 ( 0.150 0.260 -0.045) 0.304 9.783 ( -0.000 -0.000 -1.242) 1.242 10.750 ( -0.000 -0.000 0.763) 0.763 10.750 ( 0.000 0.000 0.763) 0.763 10.984 ( 0.000 0.000 -0.015) 0.015 10.990 ( -0.053 -0.092 -0.177) 0.206 10.990 ( 0.053 0.092 -0.177) 0.206 10.996 ( -0.000 -0.000 -0.260) 0.260 11.272 ( -0.075 -0.130 -1.218) 1.227 11.272 ( 0.075 0.130 -1.218) 1.227 13.993 ( -0.000 -0.000 -1.376) 1.376 14.001 ( -0.000 -0.000 -0.422) 0.422 14.006 ( -0.259 -0.449 -0.898) 1.037 14.006 ( 0.259 0.449 -0.898) 1.037 22.140 ( -0.000 -0.000 5.807) 5.807 22.320 ( -0.274 -0.475 5.960) 5.985 22.320 ( 0.274 0.475 5.960) 5.985 22.423 ( -0.000 -0.000 -1.264) 1.264 22.645 ( -1.028 -1.781 -1.296) 2.431 22.645 ( 1.028 1.781 -1.296) 2.431 22.936 ( -0.096 -0.167 -0.123) 0.228 22.936 ( 0.096 0.167 -0.123) 0.228 22.974 ( -0.000 -0.000 -3.267) 3.267 23.339 ( -1.165 -2.018 -2.908) 3.727 23.339 ( 1.165 2.018 -2.908) 3.727 24.688 ( -0.000 -0.000 0.174) 0.174 24.694 ( -0.060 -0.104 0.245) 0.272 24.694 ( 0.060 0.104 0.245) 0.272 24.702 ( -0.000 -0.000 0.311) 0.311 24.950 ( -0.001 -0.002 0.221) 0.221 24.950 ( 0.001 0.002 0.221) 0.221 25.488 ( -0.000 -0.000 0.011) 0.011 27.275 ( -0.000 -0.000 0.252) 0.252 27.362 ( -0.223 -0.386 1.162) 1.244 27.362 ( 0.223 0.386 1.162) 1.244 27.409 ( -0.658 -1.139 -0.052) 1.316 27.409 ( 0.658 1.139 -0.052) 1.316 28.141 ( -0.000 -0.000 -0.198) 0.198 28.662 ( -0.000 -0.000 -0.211) 0.211 29.252 ( -0.000 -0.000 -0.717) 0.717 29.317 ( -0.554 -0.960 -0.629) 1.275 29.317 ( 0.554 0.960 -0.629) 1.275 29.433 ( -0.190 -0.329 -0.201) 0.430 29.433 ( 0.190 0.329 -0.201) 0.430 29.439 ( -0.000 -0.000 -0.552) 0.552 29.475 ( -0.053 -0.091 -0.570) 0.580 29.475 ( 0.053 0.091 -0.570) 0.580 29.524 ( -0.000 -0.000 0.627) 0.627 29.567 ( -0.337 -0.584 0.735) 0.997 29.567 ( 0.337 0.584 0.735) 0.997 29.607 ( -0.000 -0.000 0.694) 0.694 30.878 ( -0.015 -0.025 0.213) 0.215 30.878 ( 0.015 0.025 0.213) 0.215 55.671 ( -0.771 -1.335 6.901) 7.071 55.671 ( 0.771 1.335 6.901) 7.071 56.824 ( -0.000 -0.000 -2.787) 2.787 56.924 ( -0.412 -0.713 -4.453) 4.528 56.924 ( 0.412 0.713 -4.453) 4.528 57.148 ( -0.000 -0.000 -12.829) 12.829 57.709 ( -0.000 -0.000 6.811) 6.811 58.027 ( -0.680 -1.178 -4.298) 4.509 58.027 ( 0.680 1.178 -4.298) 4.509 58.052 ( -0.000 -0.000 1.320) 1.320 58.209 ( -0.174 -0.302 2.094) 2.123 58.209 ( 0.174 0.302 2.094) 2.123 58.220 ( -0.000 -0.000 7.249) 7.249 59.064 ( -1.064 -1.842 -0.801) 2.273 59.064 ( 1.064 1.842 -0.801) 2.273 59.392 ( -0.147 -0.254 2.508) 2.525 59.392 ( 0.147 0.254 2.508) 2.525 59.447 ( -0.000 -0.000 -0.772) 0.772 59.930 ( -0.000 -0.000 0.094) 0.094 60.031 ( -0.266 -0.461 0.166) 0.557 60.031 ( 0.266 0.461 0.166) 0.557 60.115 ( -0.541 -0.937 -0.638) 1.256 60.115 ( 0.541 0.937 -0.638) 1.256 60.156 ( -0.000 -0.000 -0.332) 0.332 61.212 ( -0.640 -1.108 0.202) 1.296 61.212 ( 0.640 1.108 0.202) 1.296 61.958 ( -0.000 -0.000 0.453) 0.453 ======================= Grid point 86 (15/35) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 0.000 0.000 17.258) 17.258 0.738 ( 0.000 0.000 17.258) 17.258 1.299 ( -0.000 0.000 27.802) 27.802 1.740 ( 0.000 0.000 8.534) 8.534 1.853 ( -0.000 0.000 -4.258) 4.258 1.853 ( 0.000 0.000 -4.258) 4.258 2.095 ( 0.000 0.000 11.721) 11.721 2.237 ( -0.000 0.000 -2.619) 2.619 2.237 ( -0.000 0.000 -2.619) 2.619 2.603 ( 0.000 0.000 -1.547) 1.547 2.603 ( -0.000 0.000 -1.547) 1.547 2.724 ( 0.000 -0.000 4.640) 4.640 2.752 ( 0.000 0.000 -6.062) 6.062 2.752 ( 0.000 0.000 -6.062) 6.062 2.834 ( 0.000 0.000 -0.963) 0.963 2.834 ( 0.000 0.000 -0.963) 0.963 2.978 ( 0.000 0.000 -1.958) 1.958 3.697 ( 0.000 0.000 6.706) 6.706 3.697 ( 0.000 0.000 6.706) 6.706 3.734 ( 0.000 -0.000 -1.211) 1.211 4.085 ( -0.000 -0.000 -2.441) 2.441 4.085 ( -0.000 0.000 -2.441) 2.441 4.089 ( -0.000 0.000 -3.306) 3.306 4.246 ( 0.000 0.000 2.321) 2.321 4.246 ( -0.000 0.000 2.321) 2.321 4.736 ( 0.000 0.000 -7.794) 7.794 5.104 ( 0.000 0.000 -1.019) 1.019 7.360 ( 0.000 0.000 -0.647) 0.647 7.416 ( 0.000 0.000 0.549) 0.549 9.751 ( 0.000 0.000 -1.935) 1.935 10.770 ( -0.000 0.000 1.112) 1.112 10.770 ( 0.000 0.000 1.112) 1.112 10.908 ( 0.000 0.000 -0.407) 0.407 10.908 ( -0.000 0.000 -0.407) 0.407 11.054 ( 0.000 -0.000 -0.592) 0.592 11.054 ( 0.000 0.000 -0.592) 0.592 11.243 ( 0.000 0.000 -1.071) 1.071 11.243 ( 0.000 0.000 -1.071) 1.071 13.941 ( -0.000 0.000 -0.627) 0.627 13.941 ( -0.000 0.000 -0.627) 0.627 13.990 ( 0.000 0.000 -1.102) 1.102 13.990 ( -0.000 0.000 -1.102) 1.102 22.229 ( 0.000 0.000 -1.550) 1.550 22.229 ( -0.000 0.000 -1.550) 1.550 22.383 ( 0.000 0.000 7.082) 7.082 22.433 ( 0.000 0.000 7.885) 7.885 22.875 ( -0.000 0.000 -2.129) 2.129 22.875 ( -0.000 0.000 -2.129) 2.129 22.876 ( 0.000 -0.000 -0.001) 0.001 22.919 ( 0.000 0.000 -0.268) 0.268 23.061 ( 0.000 -0.000 0.067) 0.067 23.177 ( -0.000 0.000 -2.594) 2.594 23.177 ( 0.000 0.000 -2.594) 2.594 24.685 ( 0.000 0.000 0.339) 0.339 24.685 ( 0.000 0.000 0.339) 0.339 24.717 ( -0.000 0.000 0.408) 0.408 24.717 ( 0.000 0.000 0.408) 0.408 24.955 ( 0.000 0.000 0.322) 0.322 24.955 ( -0.000 0.000 0.322) 0.322 25.489 ( 0.000 -0.000 0.010) 0.010 27.284 ( 0.000 -0.000 0.417) 0.417 27.331 ( 0.000 0.000 -0.061) 0.061 27.366 ( 0.000 -0.000 1.605) 1.605 27.431 ( 0.000 0.000 1.261) 1.261 27.492 ( 0.000 0.000 -0.078) 0.078 28.140 ( 0.000 0.000 -0.342) 0.342 28.664 ( 0.000 -0.000 -0.077) 0.077 29.274 ( 0.000 0.000 -0.818) 0.818 29.274 ( 0.000 0.000 -0.818) 0.818 29.382 ( 0.000 0.000 -0.993) 0.993 29.382 ( 0.000 0.000 -0.993) 0.993 29.426 ( 0.000 0.000 -0.482) 0.482 29.428 ( 0.000 0.000 -0.535) 0.535 29.428 ( -0.000 0.000 -0.535) 0.535 29.431 ( -0.000 -0.000 -0.300) 0.300 29.550 ( -0.000 0.000 1.045) 1.045 29.550 ( -0.000 0.000 1.045) 1.045 29.616 ( -0.000 0.000 0.860) 0.860 29.616 ( -0.000 0.000 0.860) 0.860 30.881 ( 0.000 0.000 0.195) 0.195 30.881 ( 0.000 0.000 0.195) 0.195 55.709 ( 0.000 0.000 6.282) 6.282 56.431 ( -0.000 0.000 3.774) 3.774 56.699 ( 0.000 0.000 -4.280) 4.280 56.699 ( 0.000 0.000 -4.280) 4.280 56.868 ( -0.000 0.000 -5.810) 5.810 56.868 ( 0.000 0.000 -5.810) 5.810 57.879 ( -0.000 0.000 -4.330) 4.330 57.879 ( -0.000 0.000 -4.330) 4.330 58.081 ( 0.000 0.000 0.173) 0.173 58.160 ( 0.000 0.000 3.020) 3.020 58.160 ( -0.000 0.000 3.020) 3.020 58.228 ( -0.000 0.000 3.114) 3.114 58.228 ( 0.000 0.000 3.114) 3.114 58.919 ( 0.000 0.000 -0.683) 0.683 59.206 ( 0.000 -0.000 0.093) 0.093 59.418 ( 0.000 0.000 1.992) 1.992 59.418 ( -0.000 0.000 1.992) 1.992 59.436 ( 0.000 -0.000 -0.673) 0.673 59.975 ( -0.000 0.000 -0.010) 0.010 59.975 ( 0.000 0.000 -0.010) 0.010 60.063 ( 0.000 0.000 -0.302) 0.302 60.063 ( 0.000 0.000 -0.302) 0.302 60.116 ( 0.000 0.000 -0.484) 0.484 60.116 ( 0.000 0.000 -0.484) 0.484 61.137 ( 0.000 0.000 0.419) 0.419 61.290 ( 0.000 -0.000 0.300) 0.300 61.970 ( 0.000 0.000 0.685) 0.685 ======================= Grid point 87 (16/35) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 5.758 3.324 14.117) 15.604 0.809 ( 5.727 3.306 15.136) 16.518 1.436 ( 10.078 5.819 23.835) 26.525 1.687 ( -8.597 -4.964 0.987) 9.976 1.719 ( -7.049 -4.070 0.046) 8.140 1.745 ( -4.445 -2.566 4.709) 6.965 2.023 ( -6.712 -3.875 8.623) 11.594 2.283 ( 2.302 1.329 -2.209) 3.456 2.297 ( 3.158 1.823 -2.868) 4.639 2.564 ( -2.722 -1.572 0.115) 3.145 2.612 ( 0.518 0.299 -1.103) 1.255 2.716 ( -0.771 -0.445 -1.959) 2.152 2.740 ( 0.523 0.302 -3.223) 3.279 2.782 ( 2.407 1.389 -2.382) 3.660 2.858 ( 0.763 0.440 -0.116) 0.888 2.878 ( 3.151 1.819 -1.576) 3.965 2.987 ( 0.999 0.577 -3.267) 3.465 3.523 ( -10.866 -6.273 2.169) 12.733 3.713 ( 1.299 0.750 6.403) 6.577 3.742 ( 1.781 1.029 5.008) 5.414 4.052 ( -1.617 -0.934 -1.014) 2.125 4.120 ( 1.103 0.637 -4.097) 4.290 4.151 ( 2.492 1.439 -0.676) 2.956 4.286 ( 3.174 1.832 1.609) 4.003 4.299 ( 3.164 1.827 0.491) 3.686 4.758 ( 1.282 0.740 -9.729) 9.841 5.033 ( -5.017 -2.896 -0.179) 5.795 7.363 ( 0.240 0.139 -0.574) 0.638 7.413 ( -0.283 -0.163 0.480) 0.581 9.750 ( -0.036 -0.021 -1.934) 1.934 10.770 ( 0.007 0.004 1.110) 1.110 10.770 ( 0.009 0.005 1.122) 1.122 10.917 ( 0.730 0.421 -0.373) 0.921 10.917 ( 0.783 0.452 -0.381) 0.981 11.047 ( -0.595 -0.343 -0.501) 0.850 11.048 ( -0.560 -0.323 -0.505) 0.821 11.242 ( -0.124 -0.072 -1.252) 1.260 11.243 ( -0.007 -0.004 -1.257) 1.257 13.944 ( 0.263 0.152 -0.705) 0.768 13.949 ( 0.458 0.264 -1.050) 1.176 13.991 ( 0.012 0.007 -1.247) 1.247 13.994 ( 0.326 0.188 -1.145) 1.206 22.245 ( 1.102 0.636 1.194) 1.745 22.253 ( 1.880 1.086 -1.615) 2.706 22.405 ( 1.783 1.030 5.100) 5.500 22.438 ( 0.449 0.259 7.929) 7.946 22.783 ( -5.895 -3.403 1.666) 7.007 22.841 ( -2.458 -1.419 -2.002) 3.474 22.880 ( -0.789 -0.456 -1.824) 2.039 22.921 ( 0.153 0.088 -0.245) 0.302 22.987 ( -2.589 -1.495 0.402) 3.017 23.187 ( 0.744 0.430 -2.885) 3.011 23.257 ( 3.268 1.887 -3.849) 5.390 24.686 ( 0.078 0.045 0.329) 0.341 24.688 ( 0.171 0.099 0.339) 0.392 24.714 ( -0.169 -0.098 0.402) 0.447 24.715 ( -0.085 -0.049 0.410) 0.422 24.956 ( 0.006 0.004 0.323) 0.323 24.956 ( 0.007 0.004 0.323) 0.323 25.489 ( -0.007 -0.004 0.012) 0.014 27.284 ( -0.041 -0.024 0.414) 0.417 27.339 ( 0.705 0.407 -0.056) 0.816 27.369 ( 0.258 0.149 1.607) 1.635 27.425 ( -0.508 -0.293 1.482) 1.594 27.481 ( -0.867 -0.501 -0.075) 1.004 28.139 ( -0.074 -0.043 -0.334) 0.345 28.662 ( -0.120 -0.070 -0.083) 0.162 29.262 ( -0.908 -0.525 -0.878) 1.368 29.277 ( 0.223 0.129 -0.903) 0.939 29.377 ( -0.488 -0.282 -0.944) 1.099 29.381 ( -0.081 -0.047 -0.891) 0.896 29.423 ( -0.120 -0.069 -0.319) 0.348 29.427 ( 0.200 0.115 -0.425) 0.484 29.439 ( 0.509 0.294 -0.612) 0.849 29.443 ( 0.746 0.431 -0.559) 1.027 29.549 ( -0.112 -0.065 1.031) 1.039 29.556 ( 0.395 0.228 1.034) 1.130 29.613 ( -0.227 -0.131 0.880) 0.918 29.617 ( 0.112 0.065 0.861) 0.870 30.881 ( 0.018 0.011 0.202) 0.203 30.882 ( 0.095 0.055 0.202) 0.230 55.722 ( 1.125 0.650 6.586) 6.713 56.235 ( -11.178 -6.454 9.956) 16.301 56.706 ( 0.591 0.341 -4.260) 4.314 56.762 ( 2.360 1.363 -7.037) 7.546 56.861 ( -0.532 -0.307 -5.868) 5.900 56.881 ( 0.848 0.490 -7.094) 7.161 57.869 ( -0.632 -0.365 -0.048) 0.731 57.880 ( 0.125 0.072 -4.367) 4.369 58.043 ( -2.326 -1.343 -2.152) 3.442 58.140 ( -1.179 -0.681 2.538) 2.879 58.165 ( 0.546 0.315 2.235) 2.322 58.251 ( 1.523 0.880 3.494) 3.911 58.279 ( 2.803 1.618 3.632) 4.865 58.934 ( 1.176 0.679 -0.757) 1.554 59.176 ( -2.069 -1.195 -0.169) 2.395 59.421 ( 0.166 0.096 1.998) 2.008 59.427 ( 0.146 0.084 0.244) 0.296 59.443 ( 0.719 0.415 1.049) 1.337 59.968 ( -0.525 -0.303 0.007) 0.606 59.995 ( 1.290 0.745 -0.448) 1.556 60.060 ( -0.224 -0.129 -0.240) 0.352 60.061 ( -0.106 -0.061 -0.237) 0.267 60.117 ( 0.040 0.023 -0.571) 0.573 60.125 ( 0.584 0.337 -0.557) 0.875 61.147 ( 0.817 0.472 0.398) 1.024 61.281 ( -0.669 -0.386 0.301) 0.830 61.970 ( 0.014 0.008 0.689) 0.689 ======================= Grid point 88 (17/35) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 8.788 5.074 10.570) 14.653 1.013 ( 11.034 6.370 9.029) 15.615 1.443 ( -8.926 -5.154 0.745) 10.334 1.486 ( -9.441 -5.451 3.089) 11.331 1.633 ( -5.954 -3.438 8.372) 10.833 1.754 ( 9.454 5.458 14.912) 18.481 1.849 ( -4.065 -2.347 8.567) 9.769 2.278 ( -3.731 -2.154 4.191) 6.010 2.338 ( 1.179 0.681 -5.418) 5.586 2.506 ( -2.130 -1.230 3.014) 3.891 2.610 ( -0.730 -0.421 -1.726) 1.920 2.718 ( 0.989 0.571 -2.571) 2.813 2.772 ( 1.712 0.988 -3.569) 4.080 2.833 ( 1.242 0.717 -0.615) 1.561 2.858 ( -0.301 -0.174 0.143) 0.376 2.965 ( 3.827 2.209 -1.054) 4.543 3.031 ( 2.509 1.449 -4.818) 5.622 3.291 ( -8.178 -4.722 1.100) 9.507 3.751 ( 1.665 0.961 5.676) 5.993 3.795 ( 2.220 1.281 3.954) 4.712 4.013 ( -1.416 -0.818 0.232) 1.652 4.133 ( 0.032 0.019 -3.599) 3.599 4.192 ( 1.080 0.623 -0.766) 1.463 4.340 ( 0.728 0.420 1.746) 1.937 4.393 ( 5.279 3.048 0.122) 6.097 4.733 ( -4.454 -2.572 -8.751) 10.151 4.944 ( -1.150 -0.664 -2.293) 2.649 7.371 ( 0.392 0.226 -0.394) 0.600 7.404 ( -0.425 -0.245 0.299) 0.575 9.749 ( -0.036 -0.021 -1.933) 1.933 10.770 ( -0.005 -0.003 1.118) 1.118 10.770 ( 0.009 0.005 1.144) 1.144 10.939 ( 1.090 0.629 -0.284) 1.290 10.942 ( 1.186 0.685 -0.342) 1.411 11.027 ( -1.006 -0.581 -0.314) 1.204 11.029 ( -0.951 -0.549 -0.342) 1.150 11.238 ( -0.156 -0.090 -1.517) 1.527 11.243 ( 0.026 0.015 -1.612) 1.612 13.952 ( 0.295 0.170 -1.011) 1.067 13.959 ( 0.482 0.278 -1.181) 1.306 13.987 ( -0.385 -0.222 -1.385) 1.454 14.003 ( 0.352 0.203 -1.195) 1.262 22.269 ( 0.732 0.423 5.489) 5.554 22.306 ( 2.223 1.283 -1.756) 3.110 22.450 ( 0.925 0.534 6.777) 6.861 22.456 ( 1.626 0.939 5.181) 5.511 22.658 ( -3.777 -2.181 1.640) 4.660 22.775 ( -2.694 -1.555 -2.037) 3.718 22.848 ( -1.602 -0.925 -2.604) 3.194 22.926 ( 0.280 0.161 -0.188) 0.373 22.950 ( -0.876 -0.506 -0.002) 1.011 23.206 ( 0.663 0.383 -3.393) 3.479 23.305 ( 1.029 0.594 -3.931) 4.107 24.689 ( 0.089 0.051 0.303) 0.320 24.693 ( 0.293 0.169 0.340) 0.480 24.709 ( -0.292 -0.169 0.390) 0.515 24.713 ( -0.097 -0.056 0.420) 0.435 24.956 ( 0.006 0.003 0.324) 0.324 24.956 ( 0.006 0.003 0.326) 0.326 25.489 ( -0.008 -0.004 0.015) 0.017 27.283 ( -0.033 -0.019 0.398) 0.400 27.362 ( 1.099 0.634 -0.003) 1.269 27.377 ( 0.427 0.246 1.573) 1.648 27.411 ( -0.565 -0.326 1.668) 1.791 27.455 ( -1.274 -0.735 -0.071) 1.472 28.137 ( -0.077 -0.044 -0.317) 0.329 28.659 ( -0.082 -0.048 -0.132) 0.163 29.240 ( -0.774 -0.447 -0.970) 1.319 29.283 ( 0.202 0.117 -1.086) 1.110 29.363 ( -0.520 -0.300 -0.850) 1.040 29.380 ( 0.035 0.020 -0.713) 0.714 29.420 ( -0.088 -0.051 -0.242) 0.263 29.434 ( 0.346 0.200 -0.520) 0.656 29.448 ( 0.259 0.150 -0.686) 0.748 29.462 ( 0.708 0.409 -0.616) 1.023 29.546 ( -0.114 -0.066 1.002) 1.010 29.565 ( 0.368 0.212 1.039) 1.122 29.606 ( -0.287 -0.166 0.941) 0.998 29.620 ( 0.100 0.058 0.881) 0.889 30.881 ( 0.019 0.011 0.217) 0.218 30.884 ( 0.061 0.035 0.251) 0.261 55.761 ( 2.048 1.182 7.454) 7.820 56.011 ( -7.093 -4.095 11.603) 14.202 56.723 ( 0.706 0.408 -4.157) 4.236 56.797 ( 0.924 0.533 -6.640) 6.725 56.843 ( -0.944 -0.545 -6.036) 6.134 56.895 ( 0.291 0.168 -9.325) 9.331 57.855 ( -0.455 -0.263 4.551) 4.582 57.884 ( 0.158 0.091 -4.449) 4.452 57.994 ( -1.613 -0.931 -4.396) 4.775 58.116 ( -0.739 -0.427 2.070) 2.239 58.179 ( 0.521 0.301 0.872) 1.059 58.285 ( 1.117 0.645 3.885) 4.094 58.332 ( 1.531 0.884 4.809) 5.124 58.972 ( 1.839 1.062 -0.929) 2.318 59.122 ( -2.245 -1.296 -0.740) 2.695 59.422 ( -0.056 -0.032 0.612) 0.615 59.431 ( 0.274 0.158 0.779) 0.841 59.456 ( 0.286 0.165 2.244) 2.269 59.954 ( -0.521 -0.301 0.062) 0.605 60.020 ( 0.575 0.332 -0.492) 0.826 60.056 ( -0.056 -0.032 -0.078) 0.101 60.061 ( 0.165 0.095 -0.238) 0.304 60.116 ( -0.167 -0.096 -0.643) 0.671 60.139 ( 0.504 0.291 -0.635) 0.861 61.172 ( 1.196 0.691 0.354) 1.426 61.260 ( -1.051 -0.607 0.307) 1.251 61.970 ( 0.016 0.009 0.694) 0.694 ======================= Grid point 89 (18/35) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 0.000 0.000 5.031) 5.031 1.240 ( 0.000 0.000 7.044) 7.044 1.299 ( 0.000 0.000 3.083) 3.083 1.304 ( -0.000 -0.000 8.023) 8.023 1.463 ( 0.000 0.000 4.548) 4.548 1.778 ( 0.000 0.000 9.802) 9.802 1.977 ( -0.000 -0.000 8.341) 8.341 2.174 ( 0.000 0.000 10.932) 10.932 2.356 ( 0.000 0.000 -5.630) 5.630 2.470 ( 0.000 0.000 5.254) 5.254 2.597 ( 0.000 0.000 -2.550) 2.550 2.736 ( 0.000 0.000 -2.907) 2.907 2.797 ( 0.000 0.000 -4.274) 4.274 2.847 ( 0.000 0.000 1.537) 1.537 2.852 ( 0.000 0.000 -0.332) 0.332 3.020 ( 0.000 0.000 -3.686) 3.686 3.101 ( 0.000 0.000 1.625) 1.625 3.150 ( -0.000 -0.000 -4.282) 4.282 3.775 ( 0.000 0.000 5.318) 5.318 3.825 ( 0.000 0.000 2.991) 2.991 3.995 ( 0.000 0.000 0.847) 0.847 4.130 ( 0.000 0.000 -3.210) 3.210 4.204 ( 0.000 0.000 -1.067) 1.067 4.347 ( 0.000 0.000 2.968) 2.968 4.497 ( 0.000 0.000 -0.135) 0.135 4.627 ( 0.000 0.000 -7.607) 7.607 4.942 ( 0.000 0.000 -4.576) 4.576 7.378 ( 0.000 0.000 -0.246) 0.246 7.397 ( 0.000 0.000 0.151) 0.151 9.749 ( 0.000 0.000 -1.932) 1.932 10.770 ( 0.000 0.000 1.123) 1.123 10.771 ( 0.000 0.000 1.155) 1.155 10.957 ( 0.000 0.000 -0.173) 0.173 10.962 ( 0.000 0.000 -0.411) 0.411 11.010 ( 0.000 0.000 -0.069) 0.069 11.013 ( 0.000 0.000 -0.395) 0.395 11.236 ( 0.000 0.000 -1.625) 1.625 11.244 ( 0.000 0.000 -1.781) 1.781 13.955 ( 0.000 0.000 -1.204) 1.204 13.973 ( 0.000 0.000 -0.668) 0.668 13.974 ( -0.000 -0.000 -1.858) 1.858 14.008 ( 0.000 0.000 -1.183) 1.183 22.278 ( 0.000 0.000 7.025) 7.025 22.337 ( 0.000 0.000 -1.847) 1.847 22.461 ( 0.000 0.000 7.822) 7.822 22.479 ( 0.000 0.000 5.957) 5.957 22.615 ( 0.000 0.000 -0.511) 0.511 22.737 ( 0.000 0.000 -2.254) 2.254 22.825 ( 0.000 0.000 -3.113) 3.113 22.933 ( 0.000 0.000 -0.114) 0.114 22.937 ( 0.000 0.000 -0.121) 0.121 23.214 ( 0.000 0.000 -3.623) 3.623 23.316 ( 0.000 0.000 -3.838) 3.838 24.690 ( 0.000 0.000 0.285) 0.285 24.700 ( 0.000 0.000 0.295) 0.295 24.702 ( 0.000 0.000 0.430) 0.430 24.712 ( 0.000 0.000 0.430) 0.430 24.956 ( -0.000 -0.000 0.324) 0.324 24.956 ( 0.000 0.000 0.327) 0.327 25.489 ( 0.000 0.000 0.016) 0.016 27.282 ( 0.000 0.000 0.389) 0.389 27.380 ( 0.000 0.000 0.529) 0.529 27.386 ( 0.000 0.000 1.050) 1.050 27.402 ( 0.000 0.000 1.700) 1.700 27.433 ( 0.000 0.000 -0.067) 0.067 28.136 ( 0.000 0.000 -0.308) 0.308 28.658 ( 0.000 0.000 -0.161) 0.161 29.230 ( 0.000 0.000 -1.011) 1.011 29.286 ( 0.000 0.000 -1.182) 1.182 29.356 ( 0.000 0.000 -0.808) 0.808 29.381 ( 0.000 0.000 -0.650) 0.650 29.419 ( 0.000 0.000 -0.195) 0.195 29.439 ( 0.000 0.000 -0.570) 0.570 29.451 ( 0.000 0.000 -0.738) 0.738 29.471 ( 0.000 0.000 -0.598) 0.598 29.544 ( 0.000 0.000 0.985) 0.985 29.571 ( 0.000 0.000 1.014) 1.014 29.602 ( 0.000 0.000 0.996) 0.996 29.621 ( 0.000 0.000 0.896) 0.896 30.882 ( 0.000 0.000 0.225) 0.225 30.885 ( 0.000 0.000 0.280) 0.280 55.800 ( 0.000 0.000 8.279) 8.279 55.914 ( 0.000 0.000 10.664) 10.664 56.733 ( 0.000 0.000 -4.047) 4.047 56.815 ( -0.000 -0.000 -5.383) 5.383 56.823 ( 0.000 0.000 -6.913) 6.913 56.898 ( 0.000 0.000 -10.158) 10.158 57.850 ( 0.000 0.000 6.003) 6.003 57.886 ( 0.000 0.000 -4.484) 4.484 57.973 ( 0.000 0.000 -5.227) 5.227 58.107 ( 0.000 0.000 1.904) 1.904 58.186 ( 0.000 0.000 0.470) 0.470 58.299 ( 0.000 0.000 4.020) 4.020 58.350 ( 0.000 0.000 5.313) 5.313 59.003 ( 0.000 0.000 -1.050) 1.050 59.087 ( 0.000 0.000 -0.919) 0.919 59.421 ( 0.000 0.000 0.129) 0.129 59.435 ( 0.000 0.000 1.084) 1.084 59.459 ( 0.000 0.000 2.583) 2.583 59.948 ( 0.000 0.000 0.107) 0.107 60.024 ( 0.000 0.000 -0.227) 0.227 60.056 ( 0.000 0.000 -0.085) 0.085 60.066 ( 0.000 0.000 -0.348) 0.348 60.113 ( 0.000 0.000 -0.605) 0.605 60.145 ( 0.000 0.000 -0.678) 0.678 61.192 ( 0.000 0.000 0.324) 0.324 61.242 ( 0.000 0.000 0.317) 0.317 61.971 ( 0.000 0.000 0.696) 0.696 ======================= Grid point 94 (19/35) ======================= q-point: ( 0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 4.195 7.266 12.237) 14.837 0.949 ( 5.981 10.360 10.026) 15.608 1.513 ( -4.543 -7.868 2.721) 9.484 1.530 ( -6.138 -10.631 0.481) 12.285 1.671 ( 6.577 11.392 16.363) 20.994 1.693 ( -1.772 -3.070 9.232) 9.889 1.886 ( -5.255 -9.102 8.415) 13.464 2.263 ( -1.320 -2.287 -5.467) 6.072 2.358 ( 1.164 2.017 1.622) 2.838 2.514 ( -1.480 -2.563 1.996) 3.570 2.618 ( -0.042 -0.073 0.277) 0.289 2.703 ( -0.771 -1.335 -3.253) 3.600 2.760 ( 1.390 2.407 -2.695) 3.871 2.836 ( 1.453 2.516 -1.724) 3.378 2.873 ( 0.186 0.321 0.197) 0.420 2.922 ( 1.796 3.112 -1.755) 3.999 3.022 ( 1.626 2.816 -4.743) 5.751 3.348 ( -5.135 -8.895 1.713) 10.413 3.739 ( 1.027 1.779 5.818) 6.170 3.782 ( 1.409 2.441 4.467) 5.282 4.018 ( -1.206 -2.089 -0.015) 2.413 4.146 ( 0.768 1.331 -4.561) 4.813 4.175 ( 0.598 1.036 -0.233) 1.219 4.330 ( 0.442 0.765 1.234) 1.518 4.362 ( 2.759 4.778 0.749) 5.568 4.756 ( -1.412 -2.445 -9.722) 10.123 4.957 ( -1.557 -2.696 -1.020) 3.276 7.369 ( 0.224 0.387 -0.447) 0.632 7.406 ( -0.248 -0.430 0.353) 0.609 9.750 ( -0.024 -0.041 -1.933) 1.934 10.770 ( -0.000 -0.000 1.117) 1.117 10.770 ( 0.004 0.007 1.137) 1.137 10.933 ( 0.648 1.123 -0.309) 1.333 10.935 ( 0.682 1.181 -0.345) 1.407 11.034 ( -0.567 -0.982 -0.328) 1.181 11.034 ( -0.546 -0.946 -0.419) 1.170 11.240 ( -0.065 -0.113 -1.494) 1.500 11.242 ( -0.018 -0.032 -1.490) 1.491 13.952 ( 0.327 0.567 -0.804) 1.037 13.955 ( 0.134 0.232 -1.362) 1.388 13.994 ( 0.017 0.030 -1.480) 1.481 13.996 ( 0.054 0.093 -1.022) 1.028 22.263 ( 0.546 0.946 4.466) 4.598 22.296 ( 1.640 2.840 -1.708) 3.698 22.438 ( 1.064 1.843 3.788) 4.345 22.448 ( 0.371 0.643 7.960) 7.995 22.686 ( -2.833 -4.907 2.480) 6.185 22.771 ( -2.508 -4.344 -1.924) 5.372 22.877 ( -0.121 -0.209 -2.613) 2.624 22.924 ( 0.121 0.210 -0.204) 0.317 22.958 ( -0.631 -1.092 -0.065) 1.263 23.204 ( 0.647 1.121 -3.230) 3.480 23.293 ( 0.624 1.081 -3.965) 4.157 24.688 ( 0.069 0.120 0.311) 0.340 24.691 ( 0.142 0.245 0.339) 0.442 24.711 ( -0.144 -0.250 0.393) 0.488 24.714 ( -0.071 -0.123 0.416) 0.440 24.956 ( 0.004 0.007 0.323) 0.323 24.956 ( 0.004 0.007 0.325) 0.325 25.489 ( -0.005 -0.009 0.014) 0.017 27.283 ( -0.023 -0.039 0.403) 0.405 27.355 ( 0.629 1.090 -0.030) 1.259 27.375 ( 0.235 0.407 1.596) 1.663 27.415 ( -0.345 -0.597 1.639) 1.778 27.462 ( -0.738 -1.278 -0.073) 1.478 28.138 ( -0.052 -0.090 -0.321) 0.337 28.660 ( -0.059 -0.102 -0.118) 0.167 29.247 ( -0.455 -0.789 -0.965) 1.327 29.280 ( 0.084 0.146 -0.982) 0.997 29.357 ( -0.747 -1.293 -0.910) 1.749 29.389 ( 0.403 0.698 -0.711) 1.074 29.425 ( 0.043 0.074 -0.370) 0.380 29.429 ( 0.124 0.215 -0.392) 0.464 29.449 ( 0.348 0.603 -0.623) 0.934 29.453 ( 0.305 0.528 -0.688) 0.919 29.546 ( -0.101 -0.174 1.002) 1.022 29.564 ( 0.285 0.494 1.049) 1.194 29.607 ( -0.233 -0.403 0.915) 1.027 29.620 ( 0.100 0.174 0.880) 0.902 30.881 ( 0.021 0.036 0.217) 0.221 30.883 ( 0.036 0.062 0.234) 0.244 55.748 ( 1.074 1.860 7.178) 7.492 56.060 ( -4.902 -8.490 11.707) 15.270 56.720 ( 0.529 0.917 -4.224) 4.355 56.789 ( 0.545 0.944 -6.831) 6.918 56.849 ( -0.509 -0.881 -5.945) 6.032 56.893 ( 0.255 0.442 -8.872) 8.887 57.857 ( -0.389 -0.674 3.569) 3.653 57.886 ( 0.254 0.441 -4.482) 4.511 58.003 ( -1.281 -2.218 -3.912) 4.676 58.112 ( -0.717 -1.242 2.153) 2.587 58.192 ( 0.848 1.469 1.428) 2.217 58.268 ( 0.454 0.786 3.455) 3.573 58.324 ( 1.221 2.115 4.698) 5.295 58.960 ( 1.046 1.812 -0.876) 2.268 59.137 ( -1.363 -2.361 -0.620) 2.795 59.426 ( 0.216 0.375 2.157) 2.200 59.426 ( -0.032 -0.055 -0.628) 0.631 59.453 ( 0.217 0.375 2.011) 2.057 59.955 ( -0.457 -0.791 0.047) 0.914 60.017 ( 0.602 1.043 -0.470) 1.293 60.055 ( -0.222 -0.384 -0.042) 0.446 60.063 ( 0.168 0.291 -0.342) 0.480 60.117 ( -0.046 -0.080 -0.715) 0.721 60.135 ( 0.326 0.564 -0.553) 0.855 61.165 ( 0.698 1.209 0.366) 1.443 61.266 ( -0.601 -1.040 0.304) 1.239 61.970 ( 0.010 0.018 0.693) 0.693 ======================= Grid point 95 (20/35) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 7.127 4.944 7.869) 11.712 1.194 ( 7.332 9.201 5.883) 13.154 1.320 ( -5.613 -7.222 3.857) 9.926 1.355 ( -3.423 -3.300 4.342) 6.439 1.559 ( -10.418 -3.051 7.768) 13.348 1.729 ( 1.099 -8.087 9.495) 12.521 1.940 ( 7.811 9.328 9.712) 15.568 2.185 ( -3.815 -4.355 0.246) 5.795 2.374 ( -0.299 0.960 2.698) 2.880 2.470 ( -0.724 -1.920 3.249) 3.843 2.599 ( -1.291 -0.161 0.816) 1.535 2.689 ( 1.865 -3.236 -0.873) 3.836 2.805 ( 0.577 1.811 -4.253) 4.658 2.867 ( -0.334 1.615 -0.273) 1.672 2.872 ( -0.763 1.150 -0.530) 1.478 3.005 ( 2.940 2.409 -2.738) 4.684 3.085 ( 1.799 2.954 -4.158) 5.408 3.187 ( -4.651 -4.792 -0.877) 6.735 3.778 ( 0.830 1.731 4.991) 5.347 3.822 ( 0.625 0.825 3.550) 3.698 3.980 ( -0.133 -2.112 0.943) 2.316 4.157 ( -1.241 2.025 -3.621) 4.330 4.198 ( 0.915 0.087 -1.693) 1.927 4.335 ( 0.504 -0.778 3.014) 3.154 4.470 ( 3.828 3.868 -1.040) 5.540 4.648 ( -4.171 -5.123 -6.435) 9.222 4.944 ( 0.131 0.484 -4.239) 4.268 7.378 ( 0.231 0.403 -0.247) 0.526 7.397 ( -0.240 -0.427 0.154) 0.513 9.749 ( -0.012 -0.021 -1.932) 1.933 10.770 ( -0.006 0.002 1.128) 1.128 10.770 ( 0.007 -0.004 1.150) 1.150 10.958 ( 0.579 1.143 -0.203) 1.297 10.961 ( 0.695 1.154 -0.339) 1.389 11.010 ( -0.629 -1.086 -0.165) 1.265 11.012 ( -0.543 -1.043 -0.346) 1.226 11.238 ( -0.125 0.052 -1.664) 1.669 11.242 ( 0.078 -0.100 -1.746) 1.751 13.957 ( -0.042 0.165 -1.483) 1.493 13.968 ( 0.634 0.672 -1.079) 1.421 13.985 ( -0.825 -0.024 -1.225) 1.477 14.001 ( 0.454 -0.454 -1.120) 1.291 22.279 ( 0.232 0.544 6.916) 6.941 22.350 ( 0.512 2.683 -1.794) 3.268 22.460 ( 0.239 0.370 7.590) 7.603 22.469 ( 0.935 0.086 5.423) 5.504 22.616 ( -0.923 -1.444 0.306) 1.741 22.689 ( -0.428 -4.935 -1.809) 5.274 22.871 ( -1.313 1.756 -3.545) 4.169 22.930 ( 0.301 0.169 -0.170) 0.385 22.941 ( -0.479 -0.441 -0.157) 0.670 23.226 ( -0.069 1.615 -3.566) 3.916 23.302 ( 0.575 -1.041 -3.825) 4.006 24.691 ( 0.015 0.119 0.283) 0.307 24.697 ( 0.255 0.198 0.339) 0.468 24.705 ( -0.248 -0.215 0.385) 0.506 24.711 ( -0.023 -0.106 0.432) 0.446 24.956 ( 0.001 0.003 0.325) 0.325 24.956 ( 0.002 0.004 0.327) 0.327 25.489 ( -0.003 -0.005 0.016) 0.017 27.282 ( -0.010 -0.017 0.389) 0.390 27.379 ( 0.544 0.912 0.513) 1.180 27.385 ( 0.379 0.613 1.071) 1.291 27.402 ( -0.296 -0.475 1.695) 1.785 27.434 ( -0.724 -1.203 -0.073) 1.406 28.136 ( -0.025 -0.050 -0.307) 0.312 28.658 ( -0.025 -0.036 -0.160) 0.166 29.234 ( -0.363 -0.139 -1.036) 1.106 29.285 ( 0.189 0.267 -1.055) 1.105 29.333 ( 0.092 -1.809 -0.836) 1.995 29.403 ( -0.204 1.435 -0.664) 1.594 29.423 ( -0.350 0.254 -0.277) 0.514 29.435 ( 0.362 -0.167 -0.482) 0.626 29.455 ( -0.184 0.411 -0.731) 0.859 29.465 ( 0.519 -0.123 -0.659) 0.848 29.543 ( -0.010 -0.166 0.968) 0.982 29.573 ( 0.097 0.532 1.034) 1.167 29.598 ( -0.066 -0.540 0.975) 1.117 29.623 ( -0.004 0.171 0.909) 0.925 30.882 ( -0.006 0.056 0.234) 0.241 30.884 ( 0.030 -0.018 0.269) 0.272 55.795 ( 1.510 2.114 8.218) 8.619 55.921 ( -2.873 -4.151 10.698) 11.829 56.738 ( 0.160 0.902 -4.098) 4.199 56.805 ( 0.730 0.281 -6.006) 6.057 56.827 ( -0.719 -0.928 -6.112) 6.223 56.898 ( 0.054 0.042 -10.221) 10.221 57.847 ( -0.065 -0.441 5.671) 5.688 57.896 ( -0.103 1.062 -4.569) 4.692 57.964 ( -0.353 -1.831 -5.059) 5.392 58.095 ( 0.077 -0.952 1.837) 2.070 58.213 ( -0.680 2.232 1.143) 2.598 58.282 ( 0.954 -0.805 3.339) 3.565 58.355 ( 0.308 1.015 5.534) 5.635 59.002 ( 1.100 1.827 -1.017) 2.363 59.088 ( -1.204 -1.992 -0.939) 2.510 59.425 ( -0.153 0.174 -0.560) 0.606 59.435 ( 0.196 0.384 1.867) 1.916 59.456 ( 0.076 -0.246 2.473) 2.486 59.942 ( -0.039 -0.724 0.105) 0.733 60.028 ( -0.119 0.354 0.011) 0.374 60.049 ( 0.203 -0.616 0.098) 0.656 60.074 ( 0.055 1.114 -0.648) 1.290 60.113 ( -0.134 -0.335 -0.830) 0.905 60.144 ( 0.178 0.240 -0.535) 0.613 61.192 ( 0.671 1.153 0.330) 1.375 61.242 ( -0.623 -1.069 0.311) 1.276 61.971 ( 0.005 0.009 0.696) 0.697 ======================= Grid point 101 (21/35) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 47 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -0.000 -0.000 4.769) 4.769 1.234 ( -0.747 -1.295 4.288) 4.541 1.234 ( 0.747 1.295 4.288) 4.541 1.456 ( -0.000 -0.000 8.850) 8.850 1.533 ( -2.064 -3.575 8.513) 9.461 1.533 ( 2.064 3.575 8.513) 9.461 2.101 ( -2.620 -4.539 2.160) 5.668 2.101 ( 2.620 4.539 2.160) 5.668 2.375 ( -0.000 -0.000 7.942) 7.942 2.446 ( -0.000 -0.000 2.877) 2.877 2.621 ( -1.255 -2.174 1.724) 3.045 2.621 ( 1.255 2.174 1.724) 3.045 2.827 ( -0.000 -0.000 -4.918) 4.918 2.885 ( -0.036 -0.063 -0.305) 0.314 2.885 ( 0.036 0.063 -0.305) 0.314 3.047 ( -0.000 -0.000 -3.064) 3.064 3.122 ( -0.286 -0.496 -3.568) 3.613 3.122 ( 0.286 0.496 -3.568) 3.613 3.816 ( -0.716 -1.239 3.998) 4.246 3.816 ( 0.716 1.239 3.998) 4.246 3.951 ( -0.000 -0.000 1.388) 1.388 4.193 ( -0.447 -0.775 -3.252) 3.373 4.193 ( 0.447 0.775 -3.252) 3.373 4.322 ( -0.000 -0.000 4.097) 4.097 4.549 ( -2.070 -3.586 -3.717) 5.564 4.549 ( 2.070 3.586 -3.717) 5.564 4.951 ( -0.000 -0.000 -4.575) 4.575 7.387 ( -0.241 -0.417 -0.045) 0.483 7.387 ( 0.241 0.417 -0.045) 0.483 9.749 ( -0.000 -0.000 -1.932) 1.932 10.770 ( -0.003 -0.006 1.143) 1.143 10.770 ( 0.003 0.006 1.143) 1.143 10.983 ( 0.000 0.000 -0.013) 0.013 10.985 ( -0.018 -0.031 -0.267) 0.269 10.985 ( 0.018 0.031 -0.267) 0.269 10.989 ( -0.000 -0.000 -0.397) 0.397 11.240 ( -0.062 -0.108 -1.774) 1.779 11.240 ( 0.062 0.108 -1.774) 1.779 13.958 ( -0.000 -0.000 -1.806) 1.806 13.983 ( -0.255 -0.441 -1.240) 1.340 13.983 ( 0.255 0.441 -1.240) 1.340 13.989 ( -0.000 -0.000 -0.666) 0.666 22.286 ( -0.000 -0.000 7.574) 7.574 22.388 ( -0.000 -0.000 -1.925) 1.925 22.464 ( -0.086 -0.149 6.823) 6.825 22.464 ( 0.086 0.149 6.823) 6.825 22.615 ( -0.869 -1.505 -1.023) 2.016 22.615 ( 0.869 1.505 -1.023) 2.016 22.893 ( -0.000 -0.000 -4.169) 4.169 22.933 ( -0.108 -0.186 -0.132) 0.252 22.933 ( 0.108 0.186 -0.132) 0.252 23.267 ( -1.051 -1.821 -3.706) 4.261 23.267 ( 1.051 1.821 -3.706) 4.261 24.692 ( -0.000 -0.000 0.260) 0.260 24.701 ( -0.079 -0.137 0.362) 0.395 24.701 ( 0.079 0.137 0.362) 0.395 24.710 ( -0.000 -0.000 0.450) 0.450 24.956 ( -0.001 -0.001 0.326) 0.326 24.956 ( 0.001 0.001 0.326) 0.326 25.489 ( -0.000 -0.000 0.017) 0.017 27.282 ( -0.000 -0.000 0.384) 0.384 27.392 ( -0.253 -0.438 1.665) 1.740 27.392 ( 0.253 0.438 1.665) 1.740 27.407 ( -0.650 -1.126 -0.057) 1.302 27.407 ( 0.650 1.126 -0.057) 1.302 28.135 ( -0.000 -0.000 -0.302) 0.302 28.658 ( -0.000 -0.000 -0.174) 0.174 29.233 ( -0.000 -0.000 -1.086) 1.086 29.300 ( -0.618 -1.070 -0.914) 1.537 29.300 ( 0.618 1.070 -0.914) 1.537 29.425 ( 0.000 0.000 -0.803) 0.803 29.428 ( -0.153 -0.266 -0.290) 0.422 29.428 ( 0.153 0.266 -0.290) 0.422 29.461 ( -0.082 -0.143 -0.731) 0.749 29.461 ( 0.082 0.143 -0.731) 0.749 29.541 ( -0.000 -0.000 0.943) 0.943 29.586 ( -0.319 -0.553 1.011) 1.195 29.586 ( 0.319 0.553 1.011) 1.195 29.625 ( -0.000 -0.000 0.926) 0.926 30.883 ( -0.031 -0.054 0.260) 0.268 30.883 ( 0.031 0.054 0.260) 0.268 55.848 ( -1.498 -2.595 9.358) 9.826 55.848 ( 1.498 2.595 9.358) 9.826 56.750 ( -0.000 -0.000 -3.986) 3.986 56.811 ( -0.240 -0.416 -5.917) 5.936 56.811 ( 0.240 0.416 -5.917) 5.936 56.898 ( -0.000 -0.000 -10.662) 10.662 57.842 ( -0.000 -0.000 6.134) 6.134 57.926 ( -0.871 -1.509 -5.037) 5.330 57.926 ( 0.871 1.509 -5.037) 5.330 58.085 ( -0.000 -0.000 1.738) 1.738 58.255 ( -0.866 -1.500 2.189) 2.791 58.255 ( 0.866 1.500 2.189) 2.791 58.366 ( -0.000 -0.000 5.871) 5.871 59.044 ( -1.074 -1.861 -1.038) 2.386 59.044 ( 1.074 1.861 -1.038) 2.386 59.426 ( -0.000 -0.000 -1.105) 1.105 59.447 ( -0.300 -0.520 2.469) 2.541 59.447 ( 0.300 0.520 2.469) 2.541 59.933 ( -0.000 -0.000 0.144) 0.144 60.036 ( -0.256 -0.444 0.272) 0.580 60.036 ( 0.256 0.444 0.272) 0.580 60.098 ( -0.513 -0.888 -0.941) 1.391 60.098 ( 0.513 0.888 -0.941) 1.391 60.147 ( -0.000 -0.000 -0.454) 0.454 61.218 ( -0.637 -1.103 0.315) 1.312 61.218 ( 0.637 1.103 0.315) 1.312 61.971 ( -0.000 -0.000 0.698) 0.698 ======================= Grid point 129 (22/35) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 0.000 15.561) 15.561 1.079 ( 0.000 0.000 15.561) 15.561 1.756 ( -0.000 0.000 -5.336) 5.336 1.756 ( -0.000 0.000 -5.336) 5.336 1.807 ( -0.000 0.000 20.985) 20.985 1.889 ( -0.000 0.000 5.366) 5.366 2.165 ( -0.000 0.000 -3.841) 3.841 2.165 ( 0.000 0.000 -3.841) 3.841 2.308 ( 0.000 0.000 7.952) 7.952 2.564 ( -0.000 0.000 -3.553) 3.553 2.564 ( -0.000 0.000 -3.553) 3.553 2.657 ( -0.000 0.000 -1.641) 1.641 2.657 ( -0.000 0.000 -1.641) 1.641 2.816 ( 0.000 0.000 -0.724) 0.724 2.816 ( -0.000 0.000 -0.724) 0.724 2.818 ( 0.000 0.000 4.162) 4.162 2.926 ( 0.000 0.000 -2.751) 2.751 3.696 ( 0.000 0.000 -2.313) 2.313 3.816 ( -0.000 0.000 4.643) 4.643 3.816 ( 0.000 0.000 4.643) 4.643 4.023 ( -0.000 0.000 -3.116) 3.116 4.023 ( 0.000 0.000 -3.116) 3.116 4.041 ( 0.000 0.000 -1.310) 1.310 4.304 ( -0.000 0.000 2.765) 2.765 4.304 ( -0.000 0.000 2.765) 2.765 4.598 ( 0.000 0.000 -5.215) 5.215 5.066 ( 0.000 0.000 -2.366) 2.366 7.347 ( 0.000 0.000 -0.570) 0.570 7.427 ( 0.000 -0.000 0.493) 0.493 9.711 ( -0.000 0.000 -1.733) 1.733 10.792 ( -0.000 0.000 0.974) 0.974 10.792 ( 0.000 0.000 0.974) 0.974 10.899 ( -0.000 0.000 -0.399) 0.399 10.899 ( 0.000 0.000 -0.399) 0.399 11.042 ( 0.000 0.000 -0.546) 0.546 11.042 ( 0.000 0.000 -0.546) 0.546 11.223 ( -0.000 0.000 -0.866) 0.866 11.223 ( 0.000 0.000 -0.866) 0.866 13.928 ( 0.000 0.000 -0.551) 0.551 13.928 ( 0.000 0.000 -0.551) 0.551 13.968 ( 0.000 0.000 -0.971) 0.971 13.968 ( -0.000 0.000 -0.971) 0.971 22.197 ( 0.000 0.000 -1.362) 1.362 22.197 ( -0.000 0.000 -1.362) 1.362 22.527 ( 0.000 -0.000 6.375) 6.375 22.587 ( 0.000 0.000 6.505) 6.505 22.833 ( 0.000 0.000 -1.782) 1.782 22.833 ( -0.000 0.000 -1.782) 1.782 22.875 ( -0.000 0.000 -0.116) 0.116 22.915 ( -0.000 -0.000 -0.097) 0.097 23.060 ( 0.000 -0.000 -0.218) 0.218 23.125 ( -0.000 0.000 -2.214) 2.214 23.125 ( 0.000 0.000 -2.214) 2.214 24.692 ( -0.000 0.000 0.272) 0.272 24.692 ( -0.000 0.000 0.272) 0.272 24.725 ( 0.000 0.000 0.355) 0.355 24.725 ( -0.000 0.000 0.355) 0.355 24.962 ( 0.000 0.000 0.275) 0.275 24.962 ( -0.000 0.000 0.275) 0.275 25.489 ( 0.000 0.000 0.006) 0.006 27.293 ( 0.000 0.000 0.367) 0.367 27.329 ( 0.000 -0.000 -0.058) 0.058 27.398 ( 0.000 0.000 1.436) 1.436 27.457 ( 0.000 0.000 1.119) 1.119 27.491 ( 0.000 -0.000 -0.070) 0.070 28.133 ( 0.000 0.000 -0.299) 0.299 28.663 ( 0.000 0.000 -0.028) 0.028 29.258 ( 0.000 0.000 -0.704) 0.704 29.258 ( -0.000 0.000 -0.704) 0.704 29.362 ( -0.000 0.000 -0.871) 0.871 29.362 ( -0.000 0.000 -0.871) 0.871 29.417 ( 0.000 0.000 -0.412) 0.412 29.418 ( -0.000 0.000 -0.414) 0.414 29.418 ( -0.000 0.000 -0.414) 0.414 29.425 ( 0.000 -0.000 -0.260) 0.260 29.571 ( -0.000 0.000 0.880) 0.880 29.571 ( -0.000 0.000 0.880) 0.880 29.633 ( 0.000 0.000 0.712) 0.712 29.633 ( -0.000 0.000 0.712) 0.712 30.884 ( -0.000 0.000 0.161) 0.161 30.884 ( -0.000 0.000 0.161) 0.161 55.835 ( 0.000 -0.000 5.490) 5.490 56.507 ( 0.000 0.000 3.257) 3.257 56.614 ( 0.000 0.000 -3.606) 3.606 56.614 ( -0.000 0.000 -3.606) 3.606 56.760 ( -0.000 0.000 -4.281) 4.281 56.760 ( -0.000 0.000 -4.281) 4.281 57.800 ( 0.000 0.000 -3.104) 3.104 57.800 ( -0.000 0.000 -3.104) 3.104 58.085 ( 0.000 -0.000 0.193) 0.193 58.213 ( 0.000 0.000 2.000) 2.000 58.213 ( -0.000 0.000 2.000) 2.000 58.281 ( 0.000 0.000 2.015) 2.015 58.281 ( 0.000 0.000 2.015) 2.015 58.905 ( -0.000 0.000 -0.646) 0.646 59.208 ( 0.000 0.000 0.058) 0.058 59.422 ( 0.000 0.000 -0.599) 0.599 59.454 ( -0.000 0.000 1.382) 1.382 59.454 ( 0.000 0.000 1.382) 1.382 59.975 ( -0.000 0.000 0.009) 0.009 59.975 ( -0.000 0.000 0.009) 0.009 60.057 ( 0.000 0.000 -0.257) 0.257 60.057 ( -0.000 0.000 -0.257) 0.257 60.107 ( -0.000 0.000 -0.413) 0.413 60.107 ( 0.000 0.000 -0.413) 0.413 61.145 ( 0.000 -0.000 0.367) 0.367 61.296 ( -0.000 0.000 0.269) 0.269 61.984 ( 0.000 -0.000 0.609) 0.609 ======================= Grid point 130 (23/35) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 1.717 0.992 13.556) 13.701 1.115 ( 2.978 1.719 14.109) 14.522 1.641 ( -8.049 -4.647 -3.093) 9.795 1.676 ( -5.446 -3.144 -2.789) 6.879 1.879 ( 0.234 0.135 9.780) 9.783 1.904 ( 5.138 2.966 14.570) 15.731 2.086 ( -6.656 -3.843 -1.686) 7.868 2.179 ( 1.380 0.797 -5.540) 5.765 2.357 ( 3.125 1.804 5.835) 6.860 2.557 ( -0.647 -0.374 -2.477) 2.587 2.574 ( 0.657 0.379 -3.728) 3.804 2.649 ( -0.286 -0.165 -0.908) 0.966 2.668 ( 1.015 0.586 -1.460) 1.872 2.823 ( 1.296 0.748 2.648) 3.041 2.852 ( 2.837 1.638 -1.126) 3.464 2.864 ( 1.908 1.101 0.997) 2.418 2.918 ( -0.052 -0.030 -3.086) 3.087 3.531 ( -9.965 -5.753 -0.949) 11.546 3.829 ( 0.970 0.560 4.568) 4.703 3.839 ( 1.347 0.778 4.009) 4.300 4.023 ( -0.046 -0.027 -2.521) 2.522 4.046 ( 0.323 0.186 -1.701) 1.741 4.117 ( 4.386 2.532 -2.323) 5.572 4.317 ( 1.056 0.610 1.612) 2.022 4.335 ( 2.532 1.462 2.181) 3.647 4.585 ( -0.941 -0.543 -6.720) 6.807 5.014 ( -3.860 -2.229 -1.417) 4.677 7.352 ( 0.362 0.209 -0.502) 0.653 7.423 ( -0.395 -0.228 0.434) 0.630 9.711 ( -0.034 -0.020 -1.733) 1.733 10.793 ( 0.004 0.003 0.970) 0.970 10.793 ( 0.025 0.014 0.983) 0.983 10.909 ( 0.781 0.451 -0.369) 0.974 10.909 ( 0.837 0.483 -0.365) 1.033 11.037 ( -0.486 -0.281 -0.488) 0.744 11.038 ( -0.387 -0.224 -0.445) 0.631 11.218 ( -0.350 -0.202 -0.990) 1.070 11.219 ( -0.280 -0.162 -1.013) 1.064 13.929 ( 0.083 0.048 -0.667) 0.674 13.930 ( 0.128 0.074 -0.731) 0.746 13.968 ( -0.061 -0.035 -0.981) 0.983 13.972 ( 0.324 0.187 -0.932) 1.004 22.220 ( 1.765 1.019 -1.426) 2.487 22.237 ( 3.153 1.821 -1.091) 3.801 22.529 ( 0.162 0.093 5.900) 5.903 22.593 ( 0.467 0.270 6.506) 6.528 22.792 ( -3.410 -1.969 -0.841) 4.026 22.805 ( -2.190 -1.265 -1.162) 2.783 22.854 ( -1.622 -0.937 -0.629) 1.976 22.917 ( 0.197 0.114 -0.068) 0.237 22.991 ( -2.747 -1.586 0.004) 3.172 23.130 ( 0.367 0.212 -2.412) 2.449 23.192 ( 2.823 1.630 -2.449) 4.077 24.693 ( 0.063 0.036 0.265) 0.275 24.694 ( 0.172 0.099 0.272) 0.337 24.723 ( -0.178 -0.103 0.350) 0.406 24.724 ( -0.082 -0.047 0.356) 0.368 24.962 ( 0.007 0.004 0.275) 0.275 24.962 ( 0.007 0.004 0.276) 0.276 25.489 ( -0.004 -0.003 0.008) 0.010 27.292 ( -0.050 -0.029 0.362) 0.367 27.338 ( 0.707 0.408 -0.059) 0.819 27.402 ( 0.261 0.151 1.436) 1.467 27.453 ( -0.332 -0.191 1.195) 1.255 27.480 ( -0.862 -0.498 -0.066) 0.998 28.132 ( -0.062 -0.036 -0.292) 0.301 28.661 ( -0.128 -0.074 -0.020) 0.149 29.244 ( -0.985 -0.569 -0.754) 1.365 29.259 ( 0.094 0.054 -0.776) 0.784 29.357 ( -0.411 -0.237 -0.847) 0.971 29.363 ( 0.077 0.044 -0.767) 0.772 29.417 ( -0.024 -0.014 -0.264) 0.265 29.418 ( 0.177 0.102 -0.338) 0.395 29.427 ( 0.487 0.281 -0.520) 0.766 29.433 ( 0.614 0.354 -0.377) 0.802 29.569 ( -0.130 -0.075 0.871) 0.884 29.576 ( 0.375 0.216 0.849) 0.953 29.630 ( -0.200 -0.115 0.723) 0.759 29.634 ( 0.115 0.066 0.710) 0.722 30.885 ( 0.028 0.016 0.165) 0.168 30.886 ( 0.105 0.061 0.157) 0.199 55.854 ( 1.587 0.916 5.710) 5.997 56.394 ( -7.461 -4.308 5.765) 10.366 56.622 ( 0.621 0.359 -3.604) 3.674 56.640 ( 1.270 0.733 -4.695) 4.919 56.753 ( -0.615 -0.355 -4.326) 4.384 56.759 ( -0.294 -0.170 -4.717) 4.729 57.802 ( 0.099 0.057 -3.107) 3.109 57.824 ( 1.589 0.918 -3.006) 3.521 58.047 ( -2.522 -1.456 1.523) 3.286 58.185 ( -1.550 -0.895 1.775) 2.520 58.206 ( -0.249 -0.144 1.492) 1.520 58.310 ( 1.787 1.032 2.155) 2.984 58.332 ( 3.028 1.748 1.632) 3.859 58.918 ( 1.072 0.619 -0.698) 1.421 59.174 ( -2.463 -1.422 -0.077) 2.845 59.417 ( -0.334 -0.193 -0.570) 0.688 59.457 ( 0.250 0.144 1.389) 1.419 59.472 ( 1.080 0.623 1.185) 1.720 59.968 ( -0.498 -0.288 0.021) 0.576 59.989 ( 0.976 0.564 -0.173) 1.141 60.056 ( -0.078 -0.045 -0.165) 0.188 60.057 ( -0.023 -0.014 -0.196) 0.198 60.106 ( -0.062 -0.036 -0.475) 0.481 60.114 ( 0.513 0.296 -0.456) 0.747 61.155 ( 0.785 0.453 0.349) 0.972 61.288 ( -0.667 -0.385 0.270) 0.817 61.984 ( 0.018 0.010 0.611) 0.611 ======================= Grid point 131 (24/35) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 4.935 2.849 8.030) 9.847 1.216 ( 5.645 3.259 10.141) 12.056 1.456 ( -5.643 -3.258 0.384) 6.527 1.530 ( -6.451 -3.725 1.227) 7.550 1.755 ( -10.072 -5.815 3.410) 12.120 1.963 ( -1.926 -1.112 4.168) 4.724 2.073 ( 6.867 3.965 13.051) 15.271 2.207 ( 0.637 0.368 -6.284) 6.327 2.408 ( 0.914 0.528 6.778) 6.860 2.538 ( -0.762 -0.440 -0.828) 1.209 2.587 ( 0.305 0.176 -1.391) 1.435 2.652 ( 0.428 0.247 -2.338) 2.390 2.696 ( 1.054 0.609 -2.296) 2.598 2.857 ( -0.248 -0.143 0.189) 0.343 2.871 ( 1.243 0.718 2.473) 2.860 2.936 ( 2.925 1.689 -1.248) 3.601 2.965 ( 4.053 2.340 -1.332) 4.866 3.298 ( -9.068 -5.235 -0.508) 10.483 3.855 ( 1.090 0.629 4.164) 4.350 3.875 ( 1.407 0.812 3.428) 3.794 4.017 ( -0.386 -0.223 -0.110) 0.459 4.055 ( 0.393 0.227 -3.238) 3.270 4.173 ( 0.726 0.419 -1.150) 1.423 4.348 ( 1.296 0.748 -0.323) 1.531 4.406 ( 2.996 1.730 0.908) 3.577 4.552 ( -2.140 -1.236 -8.025) 8.396 4.921 ( -3.071 -1.773 -0.464) 3.577 7.363 ( 0.572 0.330 -0.332) 0.739 7.410 ( -0.600 -0.347 0.279) 0.747 9.710 ( -0.035 -0.020 -1.731) 1.732 10.793 ( -0.001 -0.001 0.968) 0.968 10.793 ( 0.025 0.014 1.000) 1.000 10.933 ( 1.167 0.673 -0.319) 1.384 10.935 ( 1.223 0.706 -0.273) 1.439 11.019 ( -0.888 -0.513 -0.382) 1.094 11.023 ( -0.782 -0.451 -0.209) 0.927 11.209 ( -0.355 -0.205 -1.243) 1.308 11.212 ( -0.253 -0.146 -1.330) 1.362 13.931 ( 0.033 0.019 -0.943) 0.944 13.935 ( 0.295 0.170 -1.007) 1.063 13.964 ( -0.236 -0.136 -0.863) 0.905 13.981 ( 0.331 0.191 -0.928) 1.004 22.270 ( 2.076 1.198 -1.578) 2.869 22.330 ( 4.172 2.409 0.617) 4.857 22.531 ( -0.200 -0.115 3.683) 3.690 22.606 ( 0.414 0.239 6.327) 6.345 22.701 ( -3.302 -1.906 1.348) 4.044 22.741 ( -2.790 -1.611 -0.550) 3.268 22.807 ( -2.018 -1.165 -1.346) 2.691 22.924 ( 0.341 0.197 -0.002) 0.394 22.950 ( -0.975 -0.563 0.021) 1.126 23.140 ( 0.340 0.196 -2.760) 2.788 23.237 ( 1.076 0.621 -2.540) 2.827 24.695 ( 0.068 0.039 0.248) 0.260 24.700 ( 0.294 0.170 0.275) 0.437 24.717 ( -0.301 -0.174 0.338) 0.485 24.721 ( -0.088 -0.051 0.361) 0.375 24.962 ( 0.006 0.003 0.275) 0.275 24.962 ( 0.007 0.004 0.278) 0.278 25.489 ( -0.005 -0.003 0.012) 0.013 27.291 ( -0.046 -0.027 0.349) 0.353 27.361 ( 1.119 0.646 -0.061) 1.294 27.410 ( 0.406 0.235 1.431) 1.506 27.443 ( -0.467 -0.269 1.323) 1.428 27.453 ( -1.271 -0.734 -0.059) 1.468 28.131 ( -0.064 -0.037 -0.278) 0.287 28.658 ( -0.110 -0.064 -0.025) 0.130 29.221 ( -0.829 -0.479 -0.820) 1.261 29.262 ( 0.070 0.041 -0.917) 0.921 29.346 ( -0.452 -0.261 -0.767) 0.927 29.366 ( 0.145 0.084 -0.611) 0.633 29.416 ( -0.032 -0.018 -0.198) 0.202 29.425 ( 0.268 0.155 -0.396) 0.502 29.435 ( 0.217 0.125 -0.520) 0.577 29.451 ( 0.699 0.403 -0.450) 0.924 29.566 ( -0.134 -0.077 0.853) 0.867 29.585 ( 0.352 0.203 0.820) 0.915 29.624 ( -0.237 -0.137 0.755) 0.803 29.637 ( 0.113 0.065 0.713) 0.724 30.886 ( 0.028 0.016 0.173) 0.176 30.888 ( 0.091 0.052 0.167) 0.197 55.908 ( 2.820 1.628 6.293) 7.086 56.213 ( -6.891 -3.979 7.709) 11.079 56.641 ( 0.846 0.489 -3.536) 3.669 56.669 ( 1.163 0.672 -5.227) 5.397 56.733 ( -1.033 -0.596 -4.397) 4.556 56.745 ( -0.709 -0.409 -5.392) 5.453 57.804 ( 0.120 0.069 -3.119) 3.122 57.857 ( 0.981 0.566 -3.417) 3.600 57.990 ( -1.946 -1.124 3.545) 4.197 58.154 ( -0.949 -0.548 1.548) 1.897 58.204 ( 0.069 0.040 1.118) 1.121 58.349 ( 1.244 0.718 2.266) 2.683 58.395 ( 2.029 1.172 1.527) 2.797 58.953 ( 1.731 0.999 -0.793) 2.150 59.109 ( -2.645 -1.527 -0.523) 3.099 59.409 ( -0.267 -0.154 -0.698) 0.763 59.465 ( 0.314 0.181 1.385) 1.432 59.492 ( 0.559 0.323 1.213) 1.374 59.956 ( -0.469 -0.271 0.059) 0.545 60.011 ( 0.727 0.420 -0.302) 0.892 60.055 ( -0.012 -0.007 -0.027) 0.030 60.057 ( 0.088 0.051 -0.165) 0.193 60.103 ( -0.154 -0.089 -0.529) 0.558 60.126 ( 0.448 0.259 -0.521) 0.734 61.180 ( 1.160 0.670 0.313) 1.375 61.266 ( -1.043 -0.602 0.274) 1.235 61.984 ( 0.019 0.011 0.615) 0.615 ======================= Grid point 132 (25/35) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.000 0.000 2.104) 2.104 1.365 ( 0.000 0.000 3.037) 3.037 1.387 ( -0.000 -0.000 6.977) 6.977 1.452 ( 0.000 0.000 6.247) 6.247 1.537 ( -0.000 -0.000 2.789) 2.789 1.948 ( 0.000 0.000 5.916) 5.916 2.174 ( -0.000 -0.000 9.426) 9.426 2.206 ( 0.000 0.000 -6.116) 6.116 2.415 ( 0.000 0.000 8.662) 8.662 2.528 ( 0.000 0.000 -0.407) 0.407 2.588 ( 0.000 0.000 2.033) 2.033 2.659 ( 0.000 0.000 -4.615) 4.615 2.709 ( 0.000 0.000 -3.231) 3.231 2.847 ( 0.000 0.000 -0.289) 0.289 2.896 ( 0.000 0.000 3.096) 3.096 2.966 ( 0.000 0.000 -0.491) 0.491 3.096 ( 0.000 0.000 -1.649) 1.649 3.115 ( -0.000 -0.000 -0.342) 0.342 3.871 ( 0.000 0.000 3.715) 3.715 3.893 ( 0.000 0.000 3.277) 3.277 4.012 ( 0.000 0.000 0.642) 0.642 4.060 ( 0.000 0.000 -3.198) 3.198 4.178 ( 0.000 0.000 -1.411) 1.411 4.366 ( 0.000 0.000 -1.070) 1.070 4.475 ( 0.000 0.000 -1.315) 1.315 4.486 ( -0.000 -0.000 -5.666) 5.666 4.886 ( 0.000 0.000 -1.022) 1.022 7.373 ( 0.000 0.000 -0.200) 0.200 7.400 ( 0.000 0.000 0.153) 0.153 9.710 ( 0.000 0.000 -1.731) 1.731 10.793 ( 0.000 0.000 0.969) 0.969 10.794 ( 0.000 0.000 1.008) 1.008 10.953 ( -0.000 -0.000 -0.363) 0.363 10.954 ( 0.000 0.000 -0.161) 0.161 11.005 ( 0.000 0.000 -0.354) 0.354 11.009 ( 0.000 0.000 -0.048) 0.048 11.204 ( 0.000 0.000 -1.361) 1.361 11.208 ( 0.000 0.000 -1.505) 1.505 13.931 ( 0.000 0.000 -1.021) 1.021 13.940 ( 0.000 0.000 -1.353) 1.353 13.960 ( 0.000 0.000 -0.597) 0.597 13.985 ( 0.000 0.000 -0.942) 0.942 22.299 ( 0.000 0.000 -1.678) 1.678 22.396 ( 0.000 0.000 3.961) 3.961 22.520 ( 0.000 0.000 -0.904) 0.904 22.606 ( 0.000 0.000 5.553) 5.553 22.667 ( 0.000 0.000 4.268) 4.268 22.699 ( 0.000 0.000 -0.831) 0.831 22.778 ( 0.000 0.000 -1.452) 1.452 22.932 ( 0.000 0.000 0.088) 0.088 22.935 ( 0.000 0.000 -0.035) 0.035 23.144 ( 0.000 0.000 -2.916) 2.916 23.249 ( 0.000 0.000 -2.506) 2.506 24.695 ( 0.000 0.000 0.237) 0.237 24.706 ( 0.000 0.000 0.257) 0.257 24.710 ( 0.000 0.000 0.351) 0.351 24.720 ( 0.000 0.000 0.367) 0.367 24.962 ( -0.000 -0.000 0.275) 0.275 24.962 ( 0.000 0.000 0.278) 0.278 25.489 ( 0.000 0.000 0.014) 0.014 27.290 ( 0.000 0.000 0.341) 0.341 27.380 ( 0.000 0.000 -0.064) 0.064 27.417 ( -0.000 -0.000 1.416) 1.416 27.432 ( 0.000 0.000 -0.058) 0.058 27.435 ( 0.000 0.000 1.392) 1.392 28.130 ( 0.000 0.000 -0.270) 0.270 28.656 ( 0.000 0.000 -0.035) 0.035 29.210 ( 0.000 0.000 -0.845) 0.845 29.262 ( 0.000 0.000 -0.986) 0.986 29.340 ( 0.000 0.000 -0.727) 0.727 29.368 ( 0.000 0.000 -0.556) 0.556 29.415 ( 0.000 0.000 -0.163) 0.163 29.428 ( 0.000 0.000 -0.448) 0.448 29.438 ( 0.000 0.000 -0.525) 0.525 29.460 ( 0.000 0.000 -0.461) 0.461 29.564 ( 0.000 0.000 0.844) 0.844 29.590 ( 0.000 0.000 0.806) 0.806 29.621 ( 0.000 0.000 0.781) 0.781 29.639 ( 0.000 0.000 0.717) 0.717 30.886 ( 0.000 0.000 0.177) 0.177 30.890 ( 0.000 0.000 0.179) 0.179 55.961 ( -0.000 -0.000 6.750) 6.750 56.111 ( 0.000 0.000 7.877) 7.877 56.653 ( 0.000 0.000 -3.389) 3.389 56.690 ( 0.000 0.000 -5.478) 5.478 56.713 ( 0.000 0.000 -4.188) 4.188 56.734 ( 0.000 0.000 -5.801) 5.801 57.806 ( 0.000 0.000 -3.128) 3.128 57.869 ( 0.000 0.000 -4.311) 4.311 57.965 ( 0.000 0.000 4.978) 4.978 58.143 ( 0.000 0.000 1.465) 1.465 58.206 ( 0.000 0.000 1.047) 1.047 58.364 ( 0.000 0.000 2.294) 2.294 58.420 ( 0.000 0.000 1.622) 1.622 58.983 ( 0.000 0.000 -0.799) 0.799 59.068 ( 0.000 0.000 -0.803) 0.803 59.406 ( 0.000 0.000 -0.780) 0.780 59.469 ( 0.000 0.000 1.367) 1.367 59.499 ( 0.000 0.000 1.297) 1.297 59.950 ( 0.000 0.000 0.090) 0.090 60.020 ( 0.000 0.000 -0.195) 0.195 60.055 ( 0.000 0.000 -0.012) 0.012 60.060 ( 0.000 0.000 -0.270) 0.270 60.101 ( 0.000 0.000 -0.495) 0.495 60.132 ( 0.000 0.000 -0.548) 0.548 61.199 ( 0.000 0.000 0.289) 0.289 61.249 ( 0.000 0.000 0.283) 0.283 61.985 ( 0.000 0.000 0.616) 0.616 ======================= Grid point 137 (26/35) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 3.072 5.322 9.782) 11.552 1.170 ( 2.029 3.515 11.420) 12.120 1.525 ( -3.686 -6.385 -0.771) 7.413 1.535 ( -4.597 -7.963 -0.123) 9.196 1.851 ( -1.955 -3.385 5.650) 6.871 1.975 ( -3.800 -6.582 2.054) 7.873 2.022 ( 3.158 5.470 13.922) 15.288 2.154 ( 0.084 0.145 -4.849) 4.851 2.433 ( 2.164 3.748 5.008) 6.619 2.539 ( -0.670 -1.160 -0.608) 1.471 2.590 ( 0.591 1.023 -3.549) 3.741 2.656 ( 0.210 0.363 -0.420) 0.593 2.684 ( 0.705 1.221 -2.444) 2.822 2.858 ( 1.184 2.051 2.731) 3.614 2.866 ( 0.214 0.371 -0.689) 0.812 2.921 ( 1.728 2.993 1.028) 3.605 2.930 ( 1.257 2.178 -3.702) 4.475 3.359 ( -5.429 -9.404 -0.516) 10.871 3.847 ( 0.686 1.188 4.408) 4.617 3.866 ( 0.965 1.672 3.481) 3.980 4.016 ( -0.434 -0.752 -0.447) 0.977 4.057 ( 0.557 0.965 -3.392) 3.570 4.160 ( 0.473 0.820 -1.187) 1.518 4.341 ( 0.601 1.041 0.396) 1.265 4.385 ( 1.868 3.236 1.251) 3.940 4.565 ( -0.834 -1.444 -8.146) 8.315 4.944 ( -2.146 -3.718 -0.528) 4.325 7.360 ( 0.328 0.568 -0.381) 0.759 7.414 ( -0.348 -0.603 0.325) 0.768 9.710 ( -0.023 -0.040 -1.732) 1.732 10.793 ( 0.004 0.007 0.970) 0.970 10.793 ( 0.012 0.021 0.994) 0.994 10.926 ( 0.701 1.214 -0.300) 1.433 10.927 ( 0.711 1.232 -0.328) 1.460 11.026 ( -0.474 -0.821 -0.386) 1.024 11.027 ( -0.457 -0.791 -0.295) 0.960 11.212 ( -0.214 -0.371 -1.179) 1.255 11.213 ( -0.191 -0.331 -1.248) 1.305 13.929 ( -0.055 -0.096 -1.045) 1.051 13.935 ( 0.240 0.416 -0.738) 0.880 13.968 ( -0.002 -0.004 -1.014) 1.014 13.976 ( 0.106 0.184 -0.847) 0.873 22.261 ( 1.565 2.711 -1.523) 3.481 22.301 ( 2.330 4.036 -0.170) 4.664 22.530 ( -0.067 -0.115 4.733) 4.734 22.602 ( 0.270 0.467 6.389) 6.412 22.732 ( -2.443 -4.232 -1.650) 5.158 22.739 ( -2.083 -3.608 2.146) 4.686 22.832 ( -0.689 -1.194 -1.694) 2.184 22.921 ( 0.152 0.264 -0.020) 0.306 22.958 ( -0.736 -1.275 -0.033) 1.472 23.142 ( 0.481 0.832 -2.591) 2.763 23.225 ( 0.623 1.079 -2.560) 2.847 24.694 ( 0.056 0.097 0.252) 0.276 24.698 ( 0.144 0.249 0.274) 0.397 24.719 ( -0.151 -0.262 0.341) 0.456 24.722 ( -0.066 -0.114 0.359) 0.382 24.962 ( 0.005 0.008 0.275) 0.275 24.962 ( 0.005 0.008 0.277) 0.277 25.489 ( -0.003 -0.006 0.011) 0.013 27.291 ( -0.031 -0.054 0.352) 0.358 27.354 ( 0.636 1.102 -0.061) 1.274 27.407 ( 0.231 0.401 1.435) 1.507 27.446 ( -0.273 -0.473 1.292) 1.402 27.461 ( -0.737 -1.276 -0.062) 1.475 28.131 ( -0.043 -0.074 -0.281) 0.294 28.658 ( -0.075 -0.130 -0.022) 0.152 29.228 ( -0.511 -0.885 -0.833) 1.318 29.260 ( 0.052 0.090 -0.829) 0.835 29.339 ( -0.705 -1.222 -0.794) 1.619 29.374 ( 0.470 0.814 -0.648) 1.142 29.418 ( 0.038 0.066 -0.290) 0.300 29.422 ( 0.113 0.196 -0.322) 0.393 29.438 ( 0.348 0.603 -0.489) 0.851 29.441 ( 0.249 0.431 -0.461) 0.679 29.566 ( -0.119 -0.207 0.853) 0.886 29.584 ( 0.285 0.494 0.832) 1.008 29.625 ( -0.209 -0.362 0.746) 0.855 29.637 ( 0.110 0.191 0.711) 0.744 30.886 ( 0.029 0.051 0.172) 0.182 30.888 ( 0.052 0.089 0.162) 0.192 55.891 ( 1.503 2.603 6.121) 6.819 56.259 ( -4.395 -7.613 7.431) 11.511 56.636 ( 0.559 0.969 -3.598) 3.768 56.661 ( 0.659 1.141 -5.138) 5.304 56.739 ( -0.562 -0.973 -4.389) 4.531 56.749 ( -0.421 -0.730 -5.219) 5.287 57.805 ( 0.177 0.307 -3.157) 3.177 57.847 ( 0.540 0.934 -3.151) 3.331 58.004 ( -1.330 -2.304 3.006) 4.014 58.152 ( -0.904 -1.566 1.562) 2.389 58.222 ( 0.625 1.082 1.181) 1.719 58.325 ( 0.365 0.633 2.062) 2.188 58.388 ( 1.626 2.817 1.703) 3.671 58.943 ( 0.975 1.689 -0.775) 2.098 59.126 ( -1.633 -2.829 -0.394) 3.290 59.411 ( -0.178 -0.308 -0.670) 0.758 59.464 ( 0.257 0.446 1.401) 1.492 59.487 ( 0.377 0.652 1.177) 1.397 59.956 ( -0.426 -0.738 0.050) 0.853 60.010 ( 0.694 1.202 -0.280) 1.416 60.054 ( -0.093 -0.162 -0.009) 0.187 60.057 ( 0.065 0.112 -0.180) 0.222 60.103 ( -0.158 -0.273 -0.623) 0.698 60.124 ( 0.348 0.603 -0.446) 0.827 61.172 ( 0.677 1.172 0.323) 1.391 61.273 ( -0.598 -1.036 0.272) 1.227 61.984 ( 0.012 0.021 0.614) 0.614 ======================= Grid point 138 (27/35) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 1.646 1.842 5.405) 5.942 1.286 ( 4.293 2.449 3.800) 6.234 1.390 ( -2.175 -5.693 3.153) 6.862 1.458 ( 0.675 3.026 4.804) 5.718 1.677 ( -12.231 -1.865 3.877) 12.966 1.878 ( 3.510 -8.960 4.508) 10.627 2.141 ( 2.815 2.739 6.693) 7.760 2.173 ( 1.048 -0.337 1.207) 1.634 2.483 ( -0.895 3.939 5.926) 7.171 2.518 ( -0.086 -1.210 1.077) 1.622 2.604 ( -0.502 1.175 -0.661) 1.439 2.655 ( -0.046 -0.326 -2.233) 2.258 2.710 ( 0.436 0.911 -3.444) 3.589 2.864 ( -0.794 1.065 -0.214) 1.345 2.891 ( 0.719 0.473 2.402) 2.552 2.972 ( 0.347 2.420 -0.715) 2.547 3.020 ( 5.653 2.576 -1.521) 6.396 3.173 ( -5.958 -6.392 -0.817) 8.776 3.872 ( 0.521 1.016 3.842) 4.008 3.894 ( 0.296 0.735 3.148) 3.246 4.000 ( 0.140 -1.315 0.844) 1.569 4.077 ( -0.321 1.897 -3.619) 4.099 4.161 ( 0.556 -1.410 -1.831) 2.377 4.352 ( 0.592 -0.476 -0.868) 1.153 4.451 ( 2.134 2.316 -0.664) 3.218 4.517 ( -2.408 -1.942 -5.724) 6.506 4.892 ( -0.830 -0.744 -1.037) 1.522 7.373 ( 0.334 0.584 -0.200) 0.702 7.400 ( -0.343 -0.602 0.154) 0.709 9.710 ( -0.012 -0.021 -1.731) 1.731 10.793 ( -0.008 0.017 0.976) 0.976 10.794 ( 0.016 -0.007 1.002) 1.002 10.953 ( 0.638 1.250 -0.261) 1.427 10.955 ( 0.654 1.155 -0.240) 1.349 11.004 ( -0.591 -0.951 -0.314) 1.163 11.007 ( -0.463 -1.065 -0.118) 1.167 11.205 ( -0.162 -0.114 -1.387) 1.401 11.208 ( -0.040 -0.205 -1.477) 1.492 13.927 ( 0.063 -0.235 -1.253) 1.277 13.945 ( 0.167 0.686 -0.974) 1.203 13.964 ( -0.415 0.022 -0.845) 0.942 13.980 ( 0.321 -0.246 -0.836) 0.928 22.313 ( 0.429 2.642 -1.646) 3.142 22.387 ( 2.406 2.802 2.803) 4.636 22.520 ( -0.455 -0.782 1.146) 1.461 22.596 ( -0.461 -2.091 3.876) 4.428 22.662 ( -0.173 -1.612 1.708) 2.355 22.680 ( -1.023 -2.411 3.161) 4.105 22.809 ( -1.242 0.716 -2.251) 2.669 22.928 ( 0.321 0.180 0.018) 0.369 22.939 ( -0.433 -0.493 -0.021) 0.657 23.159 ( -0.260 1.626 -2.733) 3.191 23.234 ( 0.621 -1.007 -2.531) 2.794 24.696 ( 0.007 0.097 0.235) 0.254 24.704 ( 0.241 0.206 0.280) 0.423 24.712 ( -0.239 -0.225 0.330) 0.466 24.720 ( -0.019 -0.093 0.367) 0.379 24.962 ( 0.001 0.004 0.275) 0.275 24.962 ( 0.003 0.003 0.278) 0.278 25.489 ( -0.002 -0.003 0.014) 0.014 27.290 ( -0.015 -0.025 0.341) 0.342 27.380 ( 0.671 1.128 -0.062) 1.314 27.417 ( 0.243 0.402 1.424) 1.499 27.432 ( -0.710 -1.202 -0.022) 1.396 27.435 ( -0.274 -0.444 1.343) 1.441 28.130 ( -0.021 -0.040 -0.269) 0.273 28.656 ( -0.035 -0.055 -0.036) 0.075 29.213 ( -0.348 -0.231 -0.891) 0.984 29.264 ( 0.046 0.392 -0.877) 0.962 29.316 ( 0.179 -1.827 -0.727) 1.975 29.390 ( -0.238 1.441 -0.606) 1.582 29.418 ( -0.164 0.192 -0.215) 0.332 29.426 ( 0.216 -0.068 -0.380) 0.442 29.442 ( -0.228 0.381 -0.528) 0.690 29.453 ( 0.568 -0.189 -0.485) 0.770 29.562 ( -0.011 -0.201 0.832) 0.855 29.593 ( 0.072 0.529 0.818) 0.977 29.617 ( -0.034 -0.507 0.780) 0.931 29.640 ( 0.001 0.188 0.717) 0.742 30.886 ( -0.007 0.072 0.179) 0.193 30.889 ( 0.045 -0.009 0.177) 0.183 55.956 ( 1.989 2.899 6.761) 7.620 56.118 ( -3.210 -4.805 7.822) 9.725 56.657 ( 0.320 0.984 -3.488) 3.639 56.686 ( 0.830 0.884 -5.135) 5.276 56.715 ( -0.772 -1.006 -4.425) 4.603 56.733 ( -0.325 -0.767 -5.792) 5.851 57.812 ( -0.110 0.722 -3.254) 3.335 57.857 ( 0.500 -0.723 -3.903) 4.001 57.968 ( -0.622 -0.819 4.711) 4.822 58.130 ( 0.023 -1.126 1.387) 1.787 58.239 ( -0.943 2.581 1.165) 2.985 58.336 ( 1.254 -1.524 1.907) 2.744 58.431 ( 0.362 1.570 1.925) 2.510 58.982 ( 1.071 1.774 -0.834) 2.233 59.070 ( -1.340 -2.175 -0.752) 2.662 59.406 ( -0.091 -0.110 -0.807) 0.820 59.473 ( 0.038 0.590 1.384) 1.505 59.495 ( 0.215 -0.150 1.286) 1.312 59.944 ( -0.025 -0.670 0.095) 0.677 60.028 ( -0.043 0.917 -0.017) 0.919 60.051 ( 0.111 -0.331 0.156) 0.383 60.063 ( 0.069 0.540 -0.467) 0.717 60.096 ( -0.003 -0.627 -0.744) 0.973 60.134 ( 0.093 0.390 -0.424) 0.584 61.199 ( 0.652 1.133 0.294) 1.340 61.249 ( -0.614 -1.066 0.278) 1.261 61.985 ( 0.006 0.011 0.616) 0.616 ======================= Grid point 144 (28/35) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 47 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -0.000 -0.000 3.818) 3.818 1.310 ( -0.812 -1.407 2.725) 3.172 1.310 ( 0.812 1.407 2.725) 3.172 1.596 ( -0.000 -0.000 4.756) 4.756 1.672 ( -2.291 -3.969 5.099) 6.856 1.672 ( 2.291 3.969 5.099) 6.856 2.177 ( -0.122 -0.211 4.244) 4.251 2.177 ( 0.122 0.211 4.244) 4.251 2.503 ( -0.000 -0.000 2.376) 2.376 2.522 ( -0.000 -0.000 4.845) 4.845 2.633 ( -0.787 -1.364 -0.625) 1.694 2.633 ( 0.787 1.364 -0.625) 1.694 2.726 ( -0.000 -0.000 -3.477) 3.477 2.887 ( -0.390 -0.676 0.904) 1.195 2.887 ( 0.390 0.676 0.904) 1.195 3.049 ( -0.000 -0.000 2.405) 2.405 3.052 ( -1.363 -2.360 -3.115) 4.139 3.052 ( 1.363 2.360 -3.115) 4.139 3.894 ( -0.393 -0.681 3.303) 3.395 3.894 ( 0.393 0.681 3.303) 3.395 3.981 ( -0.000 -0.000 1.364) 1.364 4.123 ( -1.107 -1.918 -3.223) 3.911 4.123 ( 1.107 1.918 -3.223) 3.911 4.343 ( -0.000 -0.000 -1.531) 1.531 4.485 ( -0.567 -0.982 -2.389) 2.644 4.485 ( 0.567 0.982 -2.389) 2.644 4.887 ( -0.000 -0.000 -1.592) 1.592 7.386 ( -0.343 -0.595 -0.021) 0.687 7.386 ( 0.343 0.595 -0.021) 0.687 9.709 ( -0.000 -0.000 -1.731) 1.731 10.793 ( -0.011 -0.019 0.992) 0.992 10.793 ( 0.011 0.019 0.992) 0.992 10.980 ( -0.022 -0.038 -0.232) 0.236 10.980 ( 0.022 0.038 -0.232) 0.236 10.981 ( -0.000 -0.000 -0.347) 0.347 10.983 ( -0.000 -0.000 -0.001) 0.001 11.205 ( -0.035 -0.060 -1.504) 1.506 11.205 ( 0.035 0.060 -1.504) 1.506 13.924 ( -0.000 -0.000 -1.379) 1.379 13.959 ( -0.269 -0.466 -0.998) 1.134 13.959 ( 0.269 0.466 -0.998) 1.134 13.976 ( -0.000 -0.000 -0.606) 0.606 22.350 ( -0.000 -0.000 -1.681) 1.681 22.424 ( -0.000 -0.000 5.352) 5.352 22.529 ( -1.293 -2.239 -0.507) 2.635 22.529 ( 1.293 2.239 -0.507) 2.635 22.654 ( -0.258 -0.447 4.434) 4.464 22.654 ( 0.258 0.447 4.434) 4.464 22.819 ( -0.000 -0.000 -2.704) 2.704 22.932 ( -0.107 -0.185 0.006) 0.214 22.932 ( 0.107 0.185 0.006) 0.214 23.200 ( -1.050 -1.819 -2.590) 3.335 23.200 ( 1.050 1.819 -2.590) 3.335 24.697 ( -0.000 -0.000 0.222) 0.222 24.708 ( -0.099 -0.172 0.307) 0.365 24.708 ( 0.099 0.172 0.307) 0.365 24.719 ( -0.000 -0.000 0.373) 0.373 24.962 ( -0.000 -0.000 0.276) 0.276 24.962 ( 0.000 0.000 0.276) 0.276 25.489 ( -0.000 -0.000 0.015) 0.015 27.290 ( -0.000 -0.000 0.337) 0.337 27.406 ( -0.668 -1.156 -0.057) 1.336 27.406 ( 0.668 1.156 -0.057) 1.336 27.426 ( -0.236 -0.408 1.409) 1.485 27.426 ( 0.236 0.408 1.409) 1.485 28.129 ( -0.000 -0.000 -0.264) 0.264 28.656 ( -0.000 -0.000 -0.043) 0.043 29.211 ( -0.000 -0.000 -0.947) 0.947 29.282 ( -0.669 -1.158 -0.769) 1.543 29.282 ( 0.669 1.158 -0.769) 1.543 29.409 ( -0.000 -0.000 -0.680) 0.680 29.422 ( -0.109 -0.189 -0.247) 0.329 29.422 ( 0.109 0.189 -0.247) 0.329 29.447 ( -0.103 -0.178 -0.534) 0.572 29.447 ( 0.103 0.178 -0.534) 0.572 29.560 ( -0.000 -0.000 0.817) 0.817 29.605 ( -0.305 -0.528 0.807) 1.012 29.605 ( 0.305 0.528 0.807) 1.012 29.643 ( -0.000 -0.000 0.720) 0.720 30.888 ( -0.036 -0.062 0.183) 0.196 30.888 ( 0.036 0.062 0.183) 0.196 56.026 ( -1.969 -3.411 7.376) 8.362 56.026 ( 1.969 3.411 7.376) 8.362 56.672 ( -0.000 -0.000 -3.284) 3.284 56.699 ( -0.099 -0.171 -4.598) 4.602 56.699 ( 0.099 0.171 -4.598) 4.602 56.720 ( -0.000 -0.000 -6.460) 6.460 57.834 ( -0.626 -1.085 -3.651) 3.860 57.834 ( 0.626 1.085 -3.651) 3.860 57.960 ( -0.000 -0.000 5.085) 5.085 58.118 ( -0.000 -0.000 1.305) 1.305 58.294 ( -1.235 -2.139 1.463) 2.871 58.294 ( 1.235 2.139 1.463) 2.870 58.448 ( -0.000 -0.000 2.129) 2.129 59.024 ( -1.090 -1.889 -0.854) 2.342 59.024 ( 1.090 1.889 -0.854) 2.342 59.405 ( -0.000 -0.000 -0.879) 0.879 59.486 ( -0.310 -0.537 1.355) 1.490 59.486 ( 0.310 0.537 1.355) 1.490 59.936 ( -0.000 -0.000 0.126) 0.126 60.042 ( -0.264 -0.458 0.346) 0.632 60.042 ( 0.264 0.458 0.346) 0.632 60.079 ( -0.464 -0.803 -0.893) 1.288 60.079 ( 0.464 0.803 -0.893) 1.288 60.139 ( -0.000 -0.000 -0.357) 0.357 61.224 ( -0.633 -1.096 0.282) 1.297 61.224 ( 0.633 1.096 0.282) 1.297 61.985 ( -0.000 -0.000 0.617) 0.617 ======================= Grid point 172 (29/35) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.000 0.000 11.352) 11.352 1.365 ( 0.000 -0.000 11.352) 11.352 1.624 ( 0.000 0.000 -7.236) 7.236 1.624 ( 0.000 0.000 -7.236) 7.236 1.957 ( 0.000 -0.000 1.429) 1.429 2.103 ( -0.000 0.000 -1.694) 1.694 2.103 ( 0.000 0.000 -1.694) 1.694 2.138 ( -0.000 0.000 9.942) 9.942 2.396 ( 0.000 0.000 0.712) 0.712 2.487 ( -0.000 0.000 -2.497) 2.497 2.487 ( 0.000 0.000 -2.497) 2.497 2.658 ( -0.000 0.000 0.473) 0.473 2.658 ( 0.000 0.000 0.473) 0.473 2.806 ( 0.000 0.000 -0.268) 0.268 2.806 ( -0.000 0.000 -0.268) 0.268 2.883 ( 0.000 0.000 -1.141) 1.141 2.883 ( 0.000 -0.000 1.813) 1.813 3.652 ( 0.000 0.000 -1.473) 1.473 3.884 ( -0.000 0.000 1.851) 1.851 3.884 ( -0.000 0.000 1.851) 1.851 3.972 ( 0.000 0.000 -1.555) 1.555 3.972 ( -0.000 0.000 -1.555) 1.555 4.028 ( 0.000 0.000 -0.146) 0.146 4.346 ( 0.000 0.000 1.128) 1.128 4.346 ( 0.000 0.000 1.128) 1.128 4.529 ( 0.000 0.000 -1.529) 1.529 5.024 ( 0.000 -0.000 -1.313) 1.313 7.339 ( -0.000 -0.000 -0.226) 0.226 7.435 ( -0.000 0.000 0.197) 0.197 9.685 ( 0.000 -0.000 -0.693) 0.693 10.807 ( -0.000 0.000 0.386) 0.386 10.807 ( 0.000 0.000 0.386) 0.386 10.893 ( 0.000 0.000 -0.170) 0.170 10.893 ( 0.000 0.000 -0.170) 0.170 11.034 ( -0.000 0.000 -0.223) 0.223 11.034 ( -0.000 0.000 -0.223) 0.223 11.210 ( 0.000 0.000 -0.322) 0.322 11.210 ( -0.000 0.000 -0.322) 0.322 13.920 ( -0.000 0.000 -0.217) 0.217 13.920 ( 0.000 0.000 -0.217) 0.217 13.953 ( 0.000 0.000 -0.384) 0.384 13.953 ( -0.000 0.000 -0.384) 0.384 22.177 ( 0.000 0.000 -0.538) 0.538 22.177 ( -0.000 0.000 -0.538) 0.538 22.625 ( 0.000 0.000 2.669) 2.669 22.682 ( 0.000 0.000 2.396) 2.396 22.807 ( -0.000 0.000 -0.682) 0.682 22.807 ( -0.000 0.000 -0.682) 0.682 22.872 ( 0.000 0.000 -0.123) 0.123 22.915 ( 0.000 0.000 0.064) 0.064 23.054 ( 0.000 0.000 -0.221) 0.221 23.092 ( -0.000 0.000 -0.858) 0.858 23.092 ( 0.000 0.000 -0.858) 0.858 24.696 ( -0.000 0.000 0.102) 0.102 24.696 ( -0.000 0.000 0.102) 0.102 24.730 ( 0.000 0.000 0.139) 0.139 24.730 ( -0.000 0.000 0.139) 0.139 24.966 ( -0.000 0.000 0.107) 0.107 24.966 ( -0.000 0.000 0.107) 0.107 25.489 ( 0.000 0.000 0.002) 0.002 27.298 ( 0.000 0.000 0.145) 0.145 27.328 ( -0.000 0.000 -0.023) 0.023 27.420 ( 0.000 -0.000 0.573) 0.573 27.474 ( 0.000 -0.000 0.448) 0.448 27.490 ( -0.000 -0.000 -0.031) 0.031 28.129 ( 0.000 -0.000 -0.118) 0.118 28.662 ( -0.000 0.000 -0.000) 0.000 29.248 ( -0.000 0.000 -0.274) 0.274 29.248 ( -0.000 0.000 -0.274) 0.274 29.349 ( -0.000 0.000 -0.344) 0.344 29.349 ( -0.000 0.000 -0.344) 0.344 29.411 ( 0.000 -0.000 -0.160) 0.160 29.412 ( 0.000 0.000 -0.154) 0.154 29.412 ( -0.000 0.000 -0.154) 0.154 29.421 ( 0.000 0.000 -0.102) 0.102 29.584 ( 0.000 0.000 0.341) 0.341 29.584 ( -0.000 0.000 0.341) 0.341 29.643 ( -0.000 0.000 0.271) 0.271 29.643 ( -0.000 0.000 0.271) 0.271 30.887 ( 0.000 0.000 0.061) 0.061 30.887 ( 0.000 0.000 0.061) 0.061 55.917 ( 0.000 0.000 2.162) 2.162 56.555 ( 0.000 -0.000 1.271) 1.271 56.561 ( 0.000 0.000 -1.394) 1.394 56.561 ( 0.000 0.000 -1.394) 1.394 56.699 ( -0.000 0.000 -1.525) 1.525 56.699 ( -0.000 0.000 -1.525) 1.525 57.756 ( -0.000 0.000 -1.122) 1.122 57.756 ( 0.000 0.000 -1.122) 1.122 58.088 ( -0.000 0.000 0.087) 0.087 58.241 ( 0.000 0.000 0.681) 0.681 58.241 ( -0.000 0.000 0.681) 0.681 58.309 ( -0.000 0.000 0.672) 0.672 58.309 ( 0.000 0.000 0.672) 0.672 58.895 ( 0.000 -0.000 -0.268) 0.268 59.208 ( 0.000 0.000 0.017) 0.017 59.413 ( 0.000 0.000 -0.239) 0.239 59.473 ( -0.000 0.000 0.463) 0.463 59.473 ( 0.000 0.000 0.463) 0.463 59.975 ( 0.000 0.000 0.009) 0.009 59.975 ( 0.000 0.000 0.009) 0.009 60.053 ( -0.000 0.000 -0.099) 0.099 60.053 ( 0.000 0.000 -0.099) 0.099 60.101 ( 0.000 0.000 -0.160) 0.160 60.101 ( -0.000 0.000 -0.160) 0.160 61.151 ( 0.000 0.000 0.144) 0.144 61.300 ( 0.000 -0.000 0.108) 0.108 61.993 ( 0.000 -0.000 0.242) 0.242 ======================= Grid point 173 (30/35) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -1.044 -0.603 10.544) 10.612 1.371 ( 0.512 0.296 9.816) 9.834 1.545 ( -5.658 -3.266 -6.298) 9.074 1.592 ( -2.281 -1.317 -5.151) 5.785 1.970 ( -0.381 -0.220 2.741) 2.776 2.033 ( -5.074 -2.930 -2.531) 6.383 2.088 ( -0.611 -0.353 -2.581) 2.676 2.189 ( 3.586 2.071 8.348) 9.319 2.437 ( 3.194 1.844 1.240) 3.891 2.494 ( 0.493 0.285 -2.151) 2.225 2.499 ( 1.091 0.630 -2.211) 2.545 2.662 ( 0.118 0.068 0.616) 0.631 2.665 ( 0.426 0.246 0.475) 0.684 2.833 ( 2.231 1.288 -0.521) 2.628 2.853 ( 3.161 1.825 0.571) 3.694 2.870 ( -0.544 -0.314 -1.171) 1.329 2.899 ( 1.438 0.830 1.288) 2.101 3.505 ( -9.232 -5.330 -1.009) 10.708 3.895 ( 0.794 0.458 1.725) 1.954 3.898 ( 1.010 0.583 1.550) 1.940 3.972 ( 0.306 0.177 -1.535) 1.575 4.035 ( 0.213 0.123 -0.082) 0.260 4.076 ( 5.390 3.112 -1.278) 6.354 4.348 ( 0.251 0.145 1.074) 1.112 4.369 ( 1.896 1.095 0.930) 2.378 4.489 ( -3.085 -1.781 -2.502) 4.353 4.988 ( -2.760 -1.593 -0.855) 3.299 7.344 ( 0.446 0.257 -0.198) 0.551 7.429 ( -0.467 -0.270 0.174) 0.567 9.685 ( -0.034 -0.019 -0.693) 0.694 10.807 ( 0.001 0.001 0.384) 0.384 10.808 ( 0.034 0.020 0.389) 0.391 10.903 ( 0.811 0.468 -0.158) 0.950 10.903 ( 0.886 0.512 -0.154) 1.035 11.029 ( -0.422 -0.244 -0.201) 0.528 11.031 ( -0.262 -0.151 -0.183) 0.353 11.203 ( -0.500 -0.289 -0.376) 0.689 11.204 ( -0.443 -0.256 -0.371) 0.632 13.919 ( -0.092 -0.053 -0.285) 0.304 13.920 ( -0.010 -0.006 -0.264) 0.264 13.953 ( -0.024 -0.014 -0.367) 0.368 13.958 ( 0.357 0.206 -0.361) 0.548 22.198 ( 1.688 0.975 -0.563) 2.029 22.218 ( 3.365 1.943 -0.544) 3.923 22.619 ( -0.542 -0.313 2.416) 2.496 22.688 ( 0.477 0.275 2.420) 2.482 22.772 ( -2.793 -1.613 -0.659) 3.292 22.791 ( -1.258 -0.726 -0.322) 1.487 22.848 ( -2.026 -1.170 -0.155) 2.345 22.918 ( 0.239 0.138 0.081) 0.287 22.989 ( -2.537 -1.465 -0.134) 2.932 23.095 ( 0.171 0.099 -0.922) 0.943 23.158 ( 2.700 1.559 -0.830) 3.227 24.697 ( 0.055 0.032 0.099) 0.118 24.698 ( 0.173 0.100 0.102) 0.224 24.728 ( -0.185 -0.107 0.137) 0.253 24.729 ( -0.080 -0.046 0.139) 0.167 24.966 ( 0.007 0.004 0.107) 0.107 24.966 ( 0.008 0.005 0.107) 0.107 25.489 ( -0.002 -0.001 0.003) 0.003 27.297 ( -0.057 -0.033 0.143) 0.157 27.337 ( 0.706 0.407 -0.024) 0.815 27.423 ( 0.258 0.149 0.571) 0.644 27.471 ( -0.265 -0.153 0.468) 0.559 27.479 ( -0.857 -0.495 -0.030) 0.990 28.128 ( -0.054 -0.031 -0.115) 0.131 28.661 ( -0.120 -0.069 0.005) 0.139 29.233 ( -1.033 -0.596 -0.294) 1.229 29.248 ( 0.012 0.007 -0.303) 0.303 29.345 ( -0.370 -0.214 -0.333) 0.542 29.351 ( 0.184 0.106 -0.303) 0.370 29.412 ( 0.011 0.007 -0.119) 0.120 29.414 ( 0.179 0.103 -0.088) 0.225 29.419 ( 0.505 0.292 -0.224) 0.625 29.428 ( 0.546 0.316 -0.129) 0.644 29.582 ( -0.139 -0.080 0.338) 0.374 29.588 ( 0.344 0.198 0.327) 0.514 29.641 ( -0.188 -0.108 0.275) 0.350 29.645 ( 0.112 0.065 0.270) 0.300 30.887 ( 0.032 0.018 0.062) 0.072 30.888 ( 0.102 0.059 0.058) 0.132 55.940 ( 1.842 1.064 2.240) 3.089 56.477 ( -5.704 -3.293 2.213) 6.948 56.568 ( 0.620 0.358 -1.400) 1.572 56.572 ( 0.686 0.396 -1.869) 2.030 56.691 ( -0.674 -0.389 -1.576) 1.757 56.692 ( -0.654 -0.377 -1.655) 1.819 57.757 ( 0.098 0.057 -1.121) 1.127 57.778 ( 1.387 0.801 -1.235) 2.023 58.075 ( -0.932 -0.538 0.830) 1.359 58.210 ( -1.699 -0.981 0.614) 2.056 58.225 ( -0.684 -0.395 0.410) 0.890 58.340 ( 1.852 1.069 0.695) 2.249 58.352 ( 2.601 1.502 0.460) 3.039 58.908 ( 1.018 0.588 -0.286) 1.210 59.172 ( -2.653 -1.532 -0.027) 3.063 59.408 ( -0.362 -0.209 -0.234) 0.479 59.476 ( 0.245 0.141 0.458) 0.538 59.488 ( 0.964 0.556 0.388) 1.178 59.969 ( -0.484 -0.279 0.012) 0.559 59.987 ( 0.828 0.478 -0.045) 0.957 60.054 ( 0.029 0.017 -0.069) 0.077 60.054 ( 0.036 0.021 -0.064) 0.076 60.099 ( -0.124 -0.072 -0.185) 0.234 60.107 ( 0.470 0.272 -0.176) 0.571 61.160 ( 0.766 0.442 0.138) 0.895 61.292 ( -0.666 -0.385 0.108) 0.777 61.993 ( 0.020 0.012 0.243) 0.244 ======================= Grid point 174 (31/35) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -2.592 -1.497 4.503) 5.407 1.388 ( 1.045 0.604 5.476) 5.608 1.451 ( 0.385 0.222 -0.781) 0.899 1.535 ( -2.222 -1.283 -0.643) 2.646 1.795 ( -10.211 -5.896 0.956) 11.830 2.016 ( 0.423 0.244 1.726) 1.794 2.084 ( 0.155 0.090 -4.570) 4.573 2.277 ( 3.222 1.860 5.191) 6.387 2.506 ( 0.869 0.502 -0.109) 1.010 2.516 ( 2.248 1.298 1.867) 3.197 2.537 ( 2.086 1.204 -1.671) 2.931 2.650 ( -1.218 -0.703 0.440) 1.474 2.670 ( -0.068 -0.039 -0.590) 0.595 2.849 ( -0.379 -0.219 -0.261) 0.510 2.909 ( 3.779 2.182 -0.462) 4.388 2.933 ( 2.179 1.258 1.679) 3.025 2.963 ( 4.010 2.315 0.337) 4.643 3.282 ( -8.955 -5.170 -0.701) 10.363 3.914 ( 0.702 0.405 1.441) 1.654 3.928 ( 1.323 0.764 1.505) 2.145 3.991 ( 1.093 0.631 -1.319) 1.826 4.030 ( -0.561 -0.324 -0.092) 0.654 4.150 ( 0.900 0.520 -0.756) 1.285 4.354 ( -0.589 -0.340 1.353) 1.514 4.408 ( -1.059 -0.611 -2.697) 2.961 4.433 ( 1.663 0.960 -1.466) 2.416 4.915 ( -2.758 -1.592 -0.176) 3.189 7.358 ( 0.693 0.400 -0.129) 0.811 7.414 ( -0.712 -0.411 0.114) 0.830 9.684 ( -0.034 -0.020 -0.692) 0.693 10.807 ( -0.001 -0.001 0.382) 0.382 10.808 ( 0.034 0.020 0.395) 0.397 10.928 ( 1.188 0.686 -0.140) 1.379 10.931 ( 1.296 0.748 -0.106) 1.500 11.013 ( -0.833 -0.481 -0.160) 0.975 11.020 ( -0.624 -0.360 -0.081) 0.725 11.190 ( -0.500 -0.288 -0.486) 0.754 11.192 ( -0.456 -0.263 -0.494) 0.721 13.917 ( -0.065 -0.038 -0.374) 0.382 13.920 ( 0.047 0.027 -0.387) 0.391 13.952 ( -0.081 -0.047 -0.299) 0.313 13.967 ( 0.322 0.186 -0.353) 0.513 22.246 ( 1.974 1.140 -0.623) 2.363 22.327 ( 5.420 3.129 -0.359) 6.269 22.585 ( -2.884 -1.665 1.264) 3.562 22.690 ( -1.941 -1.121 1.121) 2.506 22.709 ( -0.030 -0.017 0.989) 0.990 22.756 ( -1.442 -0.832 0.865) 1.876 22.790 ( -2.345 -1.354 -0.475) 2.749 22.926 ( 0.374 0.216 0.107) 0.445 22.950 ( -0.912 -0.527 -0.001) 1.054 23.099 ( 0.175 0.101 -1.032) 1.051 23.203 ( 1.134 0.655 -0.795) 1.532 24.698 ( 0.058 0.034 0.094) 0.115 24.704 ( 0.297 0.171 0.104) 0.358 24.722 ( -0.309 -0.178 0.131) 0.380 24.727 ( -0.084 -0.048 0.140) 0.170 24.966 ( 0.006 0.003 0.106) 0.107 24.966 ( 0.008 0.005 0.108) 0.108 25.489 ( -0.002 -0.001 0.005) 0.005 27.296 ( -0.055 -0.032 0.137) 0.151 27.360 ( 1.117 0.645 -0.025) 1.290 27.431 ( 0.395 0.228 0.565) 0.725 27.452 ( -1.265 -0.730 -0.023) 1.461 27.462 ( -0.401 -0.232 0.504) 0.684 28.127 ( -0.055 -0.032 -0.109) 0.126 28.658 ( -0.114 -0.066 0.008) 0.132 29.209 ( -0.857 -0.495 -0.318) 1.039 29.248 ( -0.005 -0.003 -0.356) 0.356 29.334 ( -0.407 -0.235 -0.303) 0.560 29.357 ( 0.218 0.126 -0.241) 0.349 29.413 ( 0.009 0.005 -0.084) 0.085 29.419 ( 0.207 0.120 -0.137) 0.275 29.428 ( 0.228 0.131 -0.191) 0.325 29.444 ( 0.675 0.390 -0.160) 0.796 29.578 ( -0.144 -0.083 0.332) 0.372 29.597 ( 0.336 0.194 0.309) 0.495 29.635 ( -0.217 -0.125 0.284) 0.378 29.647 ( 0.115 0.066 0.269) 0.300 30.888 ( 0.032 0.018 0.064) 0.074 30.891 ( 0.097 0.056 0.057) 0.126 56.002 ( 3.205 1.851 2.439) 4.432 56.323 ( -6.399 -3.695 2.778) 7.894 56.588 ( 0.921 0.532 -1.398) 1.757 56.593 ( 1.054 0.608 -1.931) 2.283 56.670 ( -1.041 -0.601 -1.645) 2.038 56.671 ( -0.995 -0.574 -1.768) 2.109 57.760 ( 0.115 0.066 -1.121) 1.129 57.802 ( 0.547 0.316 -1.450) 1.582 58.053 ( -0.796 -0.460 1.832) 2.049 58.176 ( -1.034 -0.597 0.553) 1.316 58.219 ( 0.090 0.052 0.300) 0.318 58.379 ( 1.263 0.729 0.697) 1.616 58.409 ( 1.883 1.087 0.131) 2.178 58.941 ( 1.706 0.985 -0.311) 1.994 59.102 ( -2.939 -1.697 -0.191) 3.399 59.399 ( -0.346 -0.200 -0.266) 0.480 59.483 ( 0.289 0.167 0.440) 0.553 59.508 ( 0.597 0.344 0.347) 0.771 59.957 ( -0.442 -0.255 0.025) 0.511 60.007 ( 0.747 0.432 -0.096) 0.868 60.055 ( 0.033 0.019 -0.015) 0.041 60.055 ( 0.040 0.023 -0.045) 0.065 60.096 ( -0.146 -0.084 -0.208) 0.268 60.119 ( 0.419 0.242 -0.198) 0.523 61.184 ( 1.138 0.657 0.124) 1.319 61.270 ( -1.039 -0.600 0.109) 1.204 61.994 ( 0.020 0.012 0.244) 0.245 ======================= Grid point 175 (32/35) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.000 0.000 0.646) 0.646 1.408 ( 0.000 0.000 1.034) 1.034 1.503 ( 0.000 0.000 3.416) 3.416 1.554 ( 0.000 0.000 3.089) 3.089 1.579 ( -0.000 -0.000 1.122) 1.122 2.020 ( 0.000 0.000 2.077) 2.077 2.087 ( 0.000 0.000 -4.868) 4.868 2.319 ( 0.000 0.000 3.901) 3.901 2.516 ( 0.000 0.000 -0.301) 0.301 2.540 ( 0.000 0.000 3.398) 3.398 2.582 ( 0.000 0.000 -2.172) 2.172 2.620 ( 0.000 0.000 0.740) 0.740 2.667 ( 0.000 0.000 -1.142) 1.142 2.846 ( 0.000 0.000 0.175) 0.175 2.954 ( 0.000 0.000 1.895) 1.895 2.977 ( 0.000 0.000 0.638) 0.638 3.057 ( -0.000 -0.000 -1.450) 1.450 3.117 ( 0.000 0.000 0.357) 0.357 3.923 ( 0.000 0.000 1.336) 1.336 3.947 ( 0.000 0.000 1.619) 1.619 4.010 ( 0.000 0.000 -1.374) 1.374 4.018 ( 0.000 0.000 0.009) 0.009 4.153 ( 0.000 0.000 -0.757) 0.757 4.328 ( 0.000 0.000 -1.548) 1.548 4.405 ( 0.000 0.000 -2.017) 2.017 4.463 ( 0.000 0.000 -0.100) 0.100 4.879 ( 0.000 0.000 -0.036) 0.036 7.370 ( 0.000 0.000 -0.076) 0.076 7.403 ( 0.000 0.000 0.065) 0.065 9.683 ( 0.000 0.000 -0.692) 0.692 10.807 ( 0.000 0.000 0.382) 0.382 10.809 ( 0.000 0.000 0.398) 0.398 10.948 ( -0.000 -0.000 -0.144) 0.144 10.951 ( 0.000 0.000 -0.067) 0.067 10.999 ( 0.000 0.000 -0.142) 0.142 11.008 ( 0.000 0.000 -0.016) 0.016 11.184 ( 0.000 0.000 -0.527) 0.527 11.186 ( 0.000 0.000 -0.582) 0.582 13.916 ( 0.000 0.000 -0.406) 0.406 13.921 ( 0.000 0.000 -0.474) 0.474 13.951 ( 0.000 0.000 -0.238) 0.238 13.971 ( 0.000 0.000 -0.357) 0.357 22.273 ( 0.000 0.000 -0.662) 0.662 22.440 ( 0.000 0.000 0.702) 0.702 22.499 ( 0.000 0.000 -0.649) 0.649 22.662 ( 0.000 0.000 0.498) 0.498 22.724 ( 0.000 0.000 2.282) 2.282 22.732 ( -0.000 -0.000 1.620) 1.620 22.757 ( -0.000 -0.000 -0.938) 0.938 22.935 ( -0.459 -0.265 0.068) 0.535 22.935 ( 0.459 0.265 0.093) 0.538 23.102 ( 0.000 0.000 -1.078) 1.078 23.216 ( 0.000 0.000 -0.756) 0.756 24.699 ( 0.000 0.000 0.090) 0.090 24.710 ( 0.000 0.000 0.101) 0.101 24.716 ( 0.000 0.000 0.133) 0.133 24.726 ( 0.000 0.000 0.142) 0.142 24.966 ( -0.000 -0.000 0.106) 0.106 24.966 ( 0.000 0.000 0.108) 0.108 25.489 ( 0.000 0.000 0.005) 0.005 27.295 ( 0.000 0.000 0.134) 0.134 27.379 ( 0.000 0.000 -0.027) 0.027 27.431 ( 0.000 0.000 -0.023) 0.023 27.438 ( -0.000 -0.000 0.555) 0.555 27.456 ( 0.000 0.000 0.532) 0.532 28.126 ( 0.000 0.000 -0.106) 0.106 28.656 ( 0.000 0.000 0.008) 0.008 29.198 ( 0.000 0.000 -0.326) 0.326 29.248 ( 0.000 0.000 -0.381) 0.381 29.329 ( 0.000 0.000 -0.288) 0.288 29.360 ( 0.000 0.000 -0.218) 0.218 29.413 ( 0.000 0.000 -0.067) 0.067 29.422 ( 0.000 0.000 -0.167) 0.167 29.430 ( 0.000 0.000 -0.178) 0.178 29.453 ( 0.000 0.000 -0.168) 0.168 29.576 ( 0.000 0.000 0.329) 0.329 29.602 ( 0.000 0.000 0.302) 0.302 29.632 ( 0.000 0.000 0.291) 0.291 29.649 ( 0.000 0.000 0.269) 0.269 30.888 ( 0.000 0.000 0.065) 0.065 30.892 ( 0.000 0.000 0.059) 0.059 56.060 ( -0.000 -0.000 2.584) 2.584 56.224 ( 0.000 0.000 2.871) 2.871 56.603 ( 0.000 0.000 -1.341) 1.341 56.611 ( 0.000 0.000 -1.975) 1.975 56.652 ( 0.000 0.000 -1.546) 1.546 56.655 ( 0.000 0.000 -1.935) 1.935 57.761 ( 0.000 0.000 -1.122) 1.122 57.807 ( 0.000 0.000 -1.537) 1.537 58.042 ( 0.000 0.000 2.129) 2.129 58.164 ( 0.000 0.000 0.531) 0.531 58.221 ( 0.000 0.000 0.402) 0.402 58.395 ( 0.000 0.000 0.693) 0.693 58.432 ( 0.000 0.000 0.011) 0.011 58.971 ( 0.000 0.000 -0.290) 0.290 59.056 ( 0.000 0.000 -0.322) 0.322 59.394 ( 0.000 0.000 -0.292) 0.292 59.487 ( 0.000 0.000 0.425) 0.425 59.515 ( 0.000 0.000 0.357) 0.357 59.951 ( 0.000 0.000 0.035) 0.035 60.017 ( 0.000 0.000 -0.071) 0.071 60.055 ( 0.000 0.000 0.011) 0.011 60.056 ( 0.000 0.000 -0.104) 0.104 60.093 ( 0.000 0.000 -0.193) 0.193 60.124 ( 0.000 0.000 -0.206) 0.206 61.203 ( 0.000 0.000 0.115) 0.115 61.253 ( 0.000 0.000 0.112) 0.112 61.994 ( 0.000 0.000 0.244) 0.244 ======================= Grid point 180 (33/35) ======================= q-point: ( 0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -0.222 -0.384 7.731) 7.744 1.366 ( -0.402 -0.696 6.654) 6.702 1.477 ( -1.179 -2.041 -4.039) 4.677 1.515 ( -2.662 -4.610 -1.808) 5.622 1.931 ( -2.630 -4.556 2.425) 5.793 1.971 ( -3.600 -6.235 -0.639) 7.227 2.067 ( 1.845 3.195 -3.221) 4.898 2.243 ( 1.474 2.554 5.777) 6.486 2.509 ( 0.495 0.857 -1.187) 1.546 2.516 ( 2.247 3.891 1.264) 4.668 2.522 ( 1.587 2.749 -0.742) 3.260 2.655 ( -0.370 -0.642 -0.857) 1.133 2.671 ( -0.141 -0.244 0.804) 0.852 2.855 ( 0.141 0.244 -0.202) 0.346 2.878 ( 1.466 2.540 -1.384) 3.243 2.915 ( 1.285 2.226 2.270) 3.429 2.940 ( 2.169 3.757 0.209) 4.343 3.341 ( -5.310 -9.198 -0.760) 10.648 3.912 ( 0.587 1.017 1.695) 2.062 3.917 ( 0.720 1.247 1.299) 1.939 3.984 ( 0.647 1.120 -1.437) 1.933 4.032 ( -0.297 -0.514 -0.058) 0.597 4.136 ( 0.760 1.316 -0.796) 1.715 4.361 ( 0.208 0.361 1.739) 1.789 4.405 ( 1.301 2.254 0.562) 2.662 4.433 ( -1.406 -2.434 -4.557) 5.354 4.934 ( -1.777 -3.077 -0.319) 3.568 7.354 ( 0.399 0.691 -0.149) 0.812 7.419 ( -0.412 -0.714 0.132) 0.835 9.684 ( -0.023 -0.040 -0.692) 0.694 10.807 ( 0.005 0.009 0.383) 0.384 10.808 ( 0.017 0.029 0.393) 0.394 10.922 ( 0.739 1.280 -0.127) 1.483 10.922 ( 0.736 1.275 -0.137) 1.478 11.020 ( -0.422 -0.731 -0.159) 0.858 11.022 ( -0.375 -0.649 -0.121) 0.759 11.194 ( -0.312 -0.540 -0.476) 0.784 11.195 ( -0.319 -0.552 -0.442) 0.776 13.914 ( -0.178 -0.308 -0.392) 0.529 13.924 ( 0.182 0.315 -0.299) 0.471 13.954 ( -0.003 -0.005 -0.367) 0.367 13.963 ( 0.149 0.258 -0.323) 0.439 22.238 ( 1.512 2.620 -0.601) 3.084 22.289 ( 2.744 4.753 -0.469) 5.508 22.603 ( -0.859 -1.487 1.875) 2.543 22.692 ( -0.918 -1.590 1.917) 2.654 22.709 ( -1.358 -2.352 -0.265) 2.728 22.771 ( -0.688 -1.192 1.011) 1.708 22.807 ( -1.292 -2.237 -0.743) 2.688 22.923 ( 0.176 0.304 0.104) 0.366 22.956 ( -0.712 -1.233 -0.054) 1.424 23.104 ( 0.435 0.753 -0.958) 1.293 23.190 ( 0.637 1.103 -0.820) 1.515 24.698 ( 0.049 0.085 0.095) 0.137 24.702 ( 0.146 0.254 0.103) 0.311 24.724 ( -0.157 -0.271 0.133) 0.340 24.727 ( -0.064 -0.111 0.139) 0.189 24.966 ( 0.004 0.008 0.107) 0.107 24.966 ( 0.005 0.008 0.107) 0.108 25.489 ( -0.002 -0.003 0.004) 0.005 27.296 ( -0.037 -0.063 0.139) 0.157 27.353 ( 0.635 1.100 -0.025) 1.270 27.429 ( 0.227 0.394 0.567) 0.727 27.460 ( -0.732 -1.268 -0.019) 1.464 27.465 ( -0.234 -0.405 0.488) 0.676 28.127 ( -0.037 -0.064 -0.111) 0.133 28.658 ( -0.076 -0.132 0.008) 0.153 29.215 ( -0.548 -0.949 -0.326) 1.143 29.248 ( 0.036 0.063 -0.322) 0.330 29.327 ( -0.678 -1.174 -0.311) 1.390 29.364 ( 0.512 0.886 -0.261) 1.056 29.414 ( 0.046 0.079 -0.112) 0.145 29.417 ( 0.097 0.169 -0.124) 0.231 29.430 ( 0.363 0.628 -0.180) 0.747 29.435 ( 0.217 0.375 -0.154) 0.460 29.579 ( -0.129 -0.224 0.332) 0.421 29.596 ( 0.277 0.480 0.314) 0.637 29.636 ( -0.197 -0.341 0.282) 0.484 29.648 ( 0.110 0.190 0.268) 0.347 30.888 ( 0.032 0.055 0.064) 0.090 30.890 ( 0.054 0.094 0.057) 0.123 55.982 ( 1.728 2.994 2.381) 4.198 56.364 ( -3.928 -6.804 2.687) 8.304 56.583 ( 0.560 0.970 -1.409) 1.800 56.587 ( 0.582 1.008 -1.928) 2.252 56.676 ( -0.589 -1.020 -1.813) 2.162 56.676 ( -0.591 -1.023 -1.559) 1.956 57.760 ( 0.143 0.248 -1.135) 1.171 57.796 ( 0.351 0.609 -1.377) 1.546 58.058 ( -0.550 -0.952 1.625) 1.962 58.174 ( -0.990 -1.715 0.552) 2.056 58.236 ( 0.589 1.020 0.243) 1.203 58.353 ( 0.306 0.531 0.668) 0.907 58.406 ( 1.585 2.745 0.287) 3.183 58.931 ( 0.941 1.630 -0.311) 1.907 59.121 ( -1.803 -3.122 -0.139) 3.608 59.401 ( -0.231 -0.401 -0.257) 0.529 59.483 ( 0.248 0.430 0.447) 0.668 59.503 ( 0.382 0.661 0.348) 0.839 59.957 ( -0.408 -0.707 0.022) 0.816 60.006 ( 0.694 1.202 -0.088) 1.390 60.054 ( 0.009 0.015 0.010) 0.020 60.055 ( 0.029 0.050 -0.059) 0.083 60.093 ( -0.247 -0.427 -0.251) 0.554 60.118 ( 0.362 0.628 -0.170) 0.745 61.177 ( 0.663 1.149 0.128) 1.333 61.277 ( -0.597 -1.034 0.109) 1.199 61.994 ( 0.013 0.023 0.243) 0.245 ======================= Grid point 181 (34/35) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -2.813 0.413 1.234) 3.099 1.353 ( 1.277 -3.222 1.848) 3.928 1.445 ( 1.343 -5.318 1.765) 5.762 1.530 ( 3.793 6.152 1.819) 7.453 1.732 ( -11.707 -0.742 1.494) 11.825 1.932 ( 4.747 -8.938 1.400) 10.216 2.126 ( -1.260 5.380 -1.815) 5.816 2.288 ( 2.306 -0.891 3.410) 4.212 2.523 ( -0.035 1.035 -0.036) 1.036 2.554 ( 0.813 0.744 -0.290) 1.140 2.596 ( 0.818 3.123 2.448) 4.052 2.636 ( -1.964 0.315 -0.417) 2.033 2.661 ( 0.159 -0.219 -1.748) 1.769 2.866 ( -0.387 1.901 0.271) 1.959 2.940 ( 0.988 -0.174 1.585) 1.876 2.953 ( 3.252 1.590 -0.847) 3.717 3.020 ( 2.459 2.151 0.537) 3.310 3.161 ( -5.312 -5.529 -0.185) 7.670 3.928 ( 0.033 0.858 1.464) 1.697 3.942 ( 0.712 0.531 1.381) 1.641 4.009 ( 0.441 0.153 -0.101) 0.477 4.024 ( -0.152 0.954 -1.171) 1.518 4.131 ( 0.221 -2.328 -0.899) 2.505 4.326 ( -1.130 -2.065 -1.017) 2.564 4.424 ( -0.503 1.887 -1.926) 2.742 4.452 ( 1.394 0.540 -0.378) 1.542 4.884 ( -0.960 -1.143 -0.100) 1.496 7.370 ( 0.403 0.704 -0.075) 0.814 7.402 ( -0.409 -0.715 0.065) 0.826 9.683 ( -0.011 -0.021 -0.692) 0.692 10.807 ( -0.010 0.027 0.385) 0.386 10.809 ( 0.021 -0.010 0.395) 0.396 10.949 ( 0.580 1.280 -0.124) 1.411 10.952 ( 0.742 1.204 -0.081) 1.417 11.000 ( -0.624 -0.900 -0.128) 1.102 11.006 ( -0.352 -1.018 -0.040) 1.078 11.185 ( -0.198 -0.224 -0.540) 0.618 11.186 ( -0.124 -0.297 -0.567) 0.652 13.909 ( 0.060 -0.386 -0.469) 0.611 13.931 ( -0.066 0.689 -0.378) 0.788 13.951 ( -0.139 -0.091 -0.320) 0.360 13.968 ( 0.218 -0.085 -0.308) 0.387 22.288 ( 0.368 2.603 -0.651) 2.708 22.406 ( 4.580 4.383 -0.037) 6.339 22.540 ( -4.447 -2.457 0.467) 5.102 22.617 ( 0.414 -5.102 0.109) 5.120 22.716 ( 0.704 0.478 1.959) 2.136 22.741 ( -1.083 -1.061 1.972) 2.488 22.778 ( -0.910 0.427 -1.027) 1.437 22.930 ( 0.321 0.167 0.101) 0.375 22.939 ( -0.368 -0.477 0.022) 0.603 23.120 ( -0.405 1.809 -0.962) 2.089 23.200 ( 0.671 -1.023 -0.777) 1.449 24.700 ( 0.004 0.086 0.090) 0.124 24.708 ( 0.235 0.218 0.107) 0.338 24.717 ( -0.236 -0.234 0.128) 0.356 24.725 ( -0.016 -0.089 0.141) 0.168 24.966 ( 0.001 0.004 0.106) 0.106 24.966 ( 0.003 0.003 0.107) 0.107 25.489 ( -0.001 -0.002 0.005) 0.006 27.295 ( -0.018 -0.030 0.134) 0.139 27.379 ( 0.669 1.128 -0.026) 1.312 27.432 ( -0.718 -1.213 -0.024) 1.410 27.438 ( 0.229 0.392 0.558) 0.719 27.456 ( -0.231 -0.395 0.529) 0.699 28.126 ( -0.018 -0.034 -0.106) 0.113 28.656 ( -0.037 -0.061 0.007) 0.072 29.200 ( -0.330 -0.302 -0.349) 0.567 29.251 ( -0.041 0.475 -0.338) 0.584 29.305 ( 0.226 -1.826 -0.285) 1.862 29.380 ( -0.231 1.425 -0.242) 1.464 29.415 ( -0.070 0.169 -0.084) 0.202 29.420 ( 0.137 -0.013 -0.142) 0.198 29.434 ( -0.248 0.368 -0.183) 0.480 29.446 ( 0.577 -0.220 -0.171) 0.641 29.575 ( -0.011 -0.218 0.325) 0.391 29.605 ( 0.060 0.528 0.306) 0.613 29.629 ( -0.023 -0.487 0.292) 0.568 29.651 ( 0.003 0.188 0.267) 0.327 30.889 ( -0.007 0.074 0.065) 0.098 30.891 ( 0.049 -0.002 0.060) 0.077 56.055 ( 2.192 3.271 2.589) 4.713 56.230 ( -3.198 -4.864 2.859) 6.486 56.604 ( 0.461 1.009 -1.398) 1.785 56.610 ( 0.684 0.978 -1.934) 2.273 56.653 ( -0.663 -1.036 -1.591) 2.011 56.654 ( -0.505 -0.984 -1.879) 2.181 57.766 ( -0.060 0.535 -1.167) 1.285 57.799 ( 0.246 -0.631 -1.453) 1.603 58.043 ( -0.249 -0.419 2.086) 2.143 58.149 ( 0.009 -1.228 0.497) 1.325 58.256 ( -0.844 2.724 0.390) 2.878 58.361 ( 1.259 -1.767 0.574) 2.244 58.448 ( 0.281 1.755 0.181) 1.787 58.970 ( 1.109 1.742 -0.321) 2.090 59.058 ( -1.489 -2.318 -0.289) 2.771 59.395 ( -0.115 -0.188 -0.299) 0.371 59.491 ( 0.015 0.561 0.422) 0.702 59.511 ( 0.250 -0.100 0.358) 0.448 59.945 ( -0.019 -0.637 0.038) 0.638 60.027 ( 0.014 1.328 -0.010) 1.328 60.054 ( 0.038 -0.047 0.110) 0.125 60.056 ( 0.013 0.083 -0.167) 0.187 60.084 ( 0.117 -0.922 -0.332) 0.987 60.128 ( 0.052 0.482 -0.158) 0.510 61.203 ( 0.641 1.121 0.117) 1.296 61.253 ( -0.608 -1.064 0.111) 1.230 61.994 ( 0.007 0.012 0.244) 0.244 ======================= Grid point 187 (35/35) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 47 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.000 -0.000 1.428) 1.428 1.344 ( -1.838 -3.183 0.728) 3.746 1.344 ( 1.838 3.183 0.728) 3.746 1.658 ( 0.000 0.000 1.432) 1.432 1.750 ( -2.499 -4.328 2.238) 5.476 1.750 ( 2.499 4.328 2.238) 5.476 2.236 ( -2.129 -3.688 1.173) 4.417 2.236 ( 2.129 3.688 1.173) 4.417 2.538 ( -0.000 -0.000 0.897) 0.897 2.558 ( -0.000 -0.000 -0.119) 0.119 2.618 ( -0.545 -0.944 -0.336) 1.140 2.618 ( 0.545 0.944 -0.336) 1.140 2.699 ( -0.000 -0.000 0.021) 0.021 2.912 ( -1.057 -1.830 0.982) 2.330 2.912 ( 1.057 1.830 0.982) 2.330 3.001 ( -1.510 -2.615 -1.504) 3.374 3.001 ( 1.510 2.615 -1.504) 3.374 3.109 ( -0.000 -0.000 2.247) 2.247 3.944 ( -0.227 -0.393 1.376) 1.448 3.944 ( 0.227 0.393 1.376) 1.448 4.002 ( -0.000 -0.000 0.577) 0.577 4.072 ( -1.474 -2.552 -1.434) 3.277 4.072 ( 1.474 2.552 -1.434) 3.277 4.301 ( -0.000 -0.000 -1.599) 1.599 4.452 ( -0.314 -0.543 -0.808) 1.023 4.452 ( 0.314 0.543 -0.808) 1.023 4.872 ( -0.000 -0.000 -0.192) 0.192 7.386 ( -0.411 -0.711 -0.004) 0.821 7.386 ( 0.411 0.711 -0.004) 0.821 9.683 ( -0.000 -0.000 -0.692) 0.692 10.808 ( -0.017 -0.029 0.391) 0.392 10.808 ( 0.017 0.029 0.391) 0.392 10.976 ( 0.000 0.000 -0.136) 0.136 10.977 ( -0.048 -0.083 -0.091) 0.132 10.977 ( 0.048 0.083 -0.091) 0.132 10.983 ( -0.000 -0.000 0.003) 0.003 11.182 ( -0.014 -0.024 -0.586) 0.586 11.182 ( 0.014 0.024 -0.586) 0.586 13.904 ( -0.000 -0.000 -0.504) 0.504 13.945 ( -0.284 -0.492 -0.377) 0.682 13.945 ( 0.284 0.492 -0.377) 0.682 13.967 ( -0.000 -0.000 -0.244) 0.244 22.325 ( -0.000 -0.000 -0.661) 0.661 22.496 ( 0.000 0.000 1.641) 1.641 22.511 ( -1.491 -2.582 -0.610) 3.044 22.511 ( 1.491 2.582 -0.610) 3.044 22.725 ( -0.218 -0.378 1.827) 1.879 22.725 ( 0.218 0.378 1.827) 1.879 22.785 ( -0.000 -0.000 -0.664) 0.664 22.933 ( -0.081 -0.140 0.066) 0.175 22.933 ( 0.081 0.140 0.066) 0.175 23.164 ( -1.115 -1.932 -0.828) 2.379 23.164 ( 1.115 1.932 -0.828) 2.379 24.701 ( -0.000 -0.000 0.086) 0.086 24.713 ( -0.112 -0.194 0.118) 0.253 24.713 ( 0.112 0.194 0.118) 0.253 24.724 ( -0.000 -0.000 0.142) 0.142 24.966 ( -0.001 -0.001 0.107) 0.107 24.966 ( 0.001 0.001 0.107) 0.107 25.489 ( -0.000 -0.000 0.006) 0.006 27.295 ( -0.000 -0.000 0.133) 0.133 27.405 ( -0.669 -1.159 -0.025) 1.338 27.405 ( 0.669 1.159 -0.025) 1.338 27.447 ( -0.225 -0.390 0.547) 0.709 27.447 ( 0.225 0.390 0.547) 0.709 28.125 ( -0.000 -0.000 -0.104) 0.104 28.655 ( -0.000 -0.000 0.006) 0.006 29.197 ( -0.000 -0.000 -0.372) 0.372 29.271 ( -0.696 -1.205 -0.297) 1.423 29.271 ( 0.696 1.205 -0.297) 1.423 29.399 ( -0.000 -0.000 -0.263) 0.263 29.418 ( -0.078 -0.136 -0.097) 0.185 29.418 ( 0.078 0.136 -0.097) 0.185 29.440 ( -0.113 -0.195 -0.186) 0.292 29.440 ( 0.113 0.195 -0.186) 0.292 29.572 ( -0.000 -0.000 0.320) 0.320 29.617 ( -0.298 -0.516 0.302) 0.668 29.617 ( 0.298 0.516 0.302) 0.668 29.653 ( -0.000 -0.000 0.266) 0.266 30.891 ( -0.034 -0.059 0.063) 0.093 30.891 ( 0.034 0.059 0.063) 0.093 56.134 ( -2.148 -3.720 2.769) 5.111 56.134 ( 2.148 3.720 2.769) 5.111 56.624 ( -0.000 -0.000 -1.249) 1.249 56.632 ( 0.000 0.000 -2.133) 2.133 56.632 ( -0.039 -0.068 -1.724) 1.725 56.632 ( 0.039 0.068 -1.724) 1.725 57.781 ( -0.463 -0.802 -1.303) 1.599 57.781 ( 0.463 0.802 -1.303) 1.599 58.038 ( -0.000 -0.000 2.143) 2.143 58.136 ( -0.000 -0.000 0.468) 0.468 58.314 ( -1.349 -2.336 0.497) 2.743 58.314 ( 1.349 2.336 0.497) 2.743 58.467 ( -0.000 -0.000 0.195) 0.195 59.011 ( -1.097 -1.901 -0.333) 2.220 59.011 ( 1.097 1.901 -0.333) 2.220 59.392 ( -0.000 -0.000 -0.321) 0.321 59.504 ( -0.282 -0.489 0.390) 0.686 59.504 ( 0.282 0.489 0.390) 0.686 59.938 ( -0.000 -0.000 0.050) 0.050 60.051 ( -0.266 -0.461 0.469) 0.710 60.051 ( 0.266 0.461 0.469) 0.710 60.063 ( -0.437 -0.756 -0.678) 1.105 60.063 ( 0.437 0.756 -0.678) 1.105 60.133 ( -0.000 -0.000 -0.132) 0.132 61.228 ( -0.631 -1.092 0.112) 1.266 61.228 ( 0.631 1.092 0.112) 1.266 61.994 ( -0.000 -0.000 0.244) 0.244 =================== 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 3/34992 10.0 230.243 230.243 287.235 0.000 0.000 -0.000 3/34992 20.0 49.009 49.009 59.258 0.000 -0.000 -0.000 3/34992 30.0 21.097 21.097 24.368 0.000 -0.000 -0.000 3/34992 40.0 12.736 12.736 14.525 0.000 -0.000 -0.000 3/34992 50.0 9.037 9.037 10.275 0.000 -0.000 -0.000 3/34992 60.0 7.005 7.005 7.960 0.000 -0.000 -0.000 3/34992 70.0 5.728 5.728 6.510 0.000 -0.000 -0.000 3/34992 80.0 4.851 4.851 5.513 0.000 -0.000 -0.000 3/34992 90.0 4.210 4.210 4.783 0.000 -0.000 -0.000 3/34992 100.0 3.721 3.721 4.226 0.000 -0.000 -0.000 3/34992 110.0 3.334 3.334 3.786 0.000 -0.000 -0.000 3/34992 120.0 3.022 3.022 3.429 0.000 -0.000 -0.000 3/34992 130.0 2.764 2.764 3.135 0.000 -0.000 -0.000 3/34992 140.0 2.546 2.546 2.888 0.000 -0.000 -0.000 3/34992 150.0 2.361 2.361 2.677 0.000 -0.000 -0.000 3/34992 160.0 2.201 2.201 2.496 0.000 -0.000 -0.000 3/34992 170.0 2.062 2.062 2.338 0.000 -0.000 -0.000 3/34992 180.0 1.939 1.939 2.198 0.000 -0.000 -0.000 3/34992 190.0 1.830 1.830 2.075 0.000 -0.000 -0.000 3/34992 200.0 1.733 1.733 1.965 0.000 -0.000 -0.000 3/34992 210.0 1.646 1.646 1.866 0.000 -0.000 -0.000 3/34992 220.0 1.567 1.567 1.777 0.000 -0.000 -0.000 3/34992 230.0 1.495 1.495 1.695 0.000 -0.000 -0.000 3/34992 240.0 1.429 1.429 1.621 0.000 -0.000 -0.000 3/34992 250.0 1.369 1.369 1.554 0.000 -0.000 -0.000 3/34992 260.0 1.314 1.314 1.491 0.000 -0.000 -0.000 3/34992 270.0 1.263 1.263 1.434 0.000 -0.000 -0.000 3/34992 280.0 1.216 1.216 1.381 0.000 -0.000 -0.000 3/34992 290.0 1.172 1.172 1.331 0.000 -0.000 -0.000 3/34992 300.0 1.132 1.132 1.285 0.000 -0.000 -0.000 3/34992 310.0 1.094 1.094 1.243 0.000 -0.000 -0.000 3/34992 320.0 1.058 1.058 1.203 0.000 -0.000 -0.000 3/34992 330.0 1.025 1.025 1.165 0.000 -0.000 -0.000 3/34992 340.0 0.994 0.994 1.130 0.000 -0.000 -0.000 3/34992 350.0 0.965 0.965 1.097 0.000 -0.000 -0.000 3/34992 360.0 0.937 0.937 1.066 0.000 -0.000 -0.000 3/34992 370.0 0.911 0.911 1.036 0.000 -0.000 -0.000 3/34992 380.0 0.886 0.886 1.009 0.000 -0.000 -0.000 3/34992 390.0 0.863 0.863 0.982 0.000 -0.000 -0.000 3/34992 400.0 0.841 0.841 0.957 0.000 -0.000 -0.000 3/34992 410.0 0.820 0.820 0.934 0.000 -0.000 -0.000 3/34992 420.0 0.800 0.800 0.911 0.000 -0.000 -0.000 3/34992 430.0 0.781 0.781 0.890 0.000 -0.000 -0.000 3/34992 440.0 0.762 0.762 0.870 0.000 -0.000 -0.000 3/34992 450.0 0.745 0.745 0.850 0.000 -0.000 -0.000 3/34992 460.0 0.729 0.729 0.832 0.000 -0.000 -0.000 3/34992 470.0 0.713 0.713 0.814 0.000 -0.000 -0.000 3/34992 480.0 0.698 0.698 0.797 0.000 -0.000 -0.000 3/34992 490.0 0.683 0.683 0.781 0.000 -0.000 -0.000 3/34992 500.0 0.669 0.669 0.765 0.000 -0.000 -0.000 3/34992 510.0 0.656 0.656 0.750 0.000 -0.000 -0.000 3/34992 520.0 0.643 0.643 0.736 0.000 -0.000 -0.000 3/34992 530.0 0.631 0.631 0.722 0.000 -0.000 -0.000 3/34992 540.0 0.619 0.619 0.709 0.000 -0.000 -0.000 3/34992 550.0 0.607 0.607 0.696 0.000 -0.000 -0.000 3/34992 560.0 0.596 0.596 0.684 0.000 -0.000 -0.000 3/34992 570.0 0.586 0.586 0.672 0.000 -0.000 -0.000 3/34992 580.0 0.576 0.576 0.661 0.000 -0.000 -0.000 3/34992 590.0 0.566 0.566 0.650 0.000 -0.000 -0.000 3/34992 600.0 0.556 0.556 0.639 0.000 -0.000 -0.000 3/34992 610.0 0.547 0.547 0.629 0.000 -0.000 -0.000 3/34992 620.0 0.538 0.538 0.619 0.000 -0.000 -0.000 3/34992 630.0 0.529 0.529 0.609 0.000 -0.000 -0.000 3/34992 640.0 0.521 0.521 0.600 0.000 -0.000 -0.000 3/34992 650.0 0.513 0.513 0.591 0.000 -0.000 -0.000 3/34992 660.0 0.505 0.505 0.582 0.000 -0.000 -0.000 3/34992 670.0 0.498 0.498 0.574 0.000 -0.000 -0.000 3/34992 680.0 0.490 0.490 0.565 0.000 -0.000 -0.000 3/34992 690.0 0.483 0.483 0.557 0.000 -0.000 -0.000 3/34992 700.0 0.476 0.476 0.550 0.000 -0.000 -0.000 3/34992 710.0 0.469 0.469 0.542 0.000 -0.000 -0.000 3/34992 720.0 0.463 0.463 0.535 0.000 -0.000 -0.000 3/34992 730.0 0.456 0.456 0.528 0.000 -0.000 -0.000 3/34992 740.0 0.450 0.450 0.521 0.000 -0.000 -0.000 3/34992 750.0 0.444 0.444 0.514 0.000 -0.000 -0.000 3/34992 760.0 0.438 0.438 0.507 0.000 -0.000 -0.000 3/34992 770.0 0.433 0.433 0.501 0.000 -0.000 -0.000 3/34992 780.0 0.427 0.427 0.495 0.000 -0.000 -0.000 3/34992 790.0 0.422 0.422 0.489 0.000 -0.000 -0.000 3/34992 800.0 0.416 0.416 0.483 0.000 -0.000 -0.000 3/34992 810.0 0.411 0.411 0.477 0.000 -0.000 -0.000 3/34992 820.0 0.406 0.406 0.471 0.000 -0.000 -0.000 3/34992 830.0 0.401 0.401 0.466 0.000 -0.000 -0.000 3/34992 840.0 0.396 0.396 0.460 0.000 -0.000 -0.000 3/34992 850.0 0.392 0.392 0.455 0.000 -0.000 -0.000 3/34992 860.0 0.387 0.387 0.450 0.000 -0.000 -0.000 3/34992 870.0 0.383 0.383 0.445 0.000 -0.000 -0.000 3/34992 880.0 0.378 0.378 0.440 0.000 -0.000 -0.000 3/34992 890.0 0.374 0.374 0.435 0.000 -0.000 -0.000 3/34992 900.0 0.370 0.370 0.431 0.000 -0.000 -0.000 3/34992 910.0 0.366 0.366 0.426 0.000 -0.000 -0.000 3/34992 920.0 0.362 0.362 0.422 0.000 -0.000 -0.000 3/34992 930.0 0.358 0.358 0.417 0.000 -0.000 -0.000 3/34992 940.0 0.354 0.354 0.413 0.000 -0.000 -0.000 3/34992 950.0 0.350 0.350 0.409 0.000 -0.000 -0.000 3/34992 960.0 0.347 0.347 0.405 0.000 -0.000 -0.000 3/34992 970.0 0.343 0.343 0.401 0.000 -0.000 -0.000 3/34992 980.0 0.340 0.340 0.397 0.000 -0.000 -0.000 3/34992 990.0 0.336 0.336 0.393 0.000 -0.000 -0.000 3/34992 1000.0 0.333 0.333 0.389 0.000 -0.000 -0.000 3/34992 Thermal conductivity related properties were written into "kappa-m669.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:30:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|