----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:06:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.311673130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.347299090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.611748250000000 Atomic positions (fractional): *1 Rb 0.09612981668084 0.15120876968652 0.50000000000000 85.468 2 Rb 0.40387018331916 0.65120876968652 0.50000000000000 85.468 3 Rb 0.90387018331916 0.84879123031348 0.50000000000000 85.468 4 Rb 0.59612981668084 0.34879123031347 0.50000000000000 85.468 *5 C 0.06852627838069 0.44161060633206 0.00000000000000 12.011 6 C 0.56852627838069 0.05838939366794 0.00000000000000 12.011 7 C 0.93147372161931 0.55838939366794 0.00000000000000 12.011 8 C 0.43147372161931 0.94161060633206 0.00000000000000 12.011 *9 O 0.46810079014607 0.15514218653505 0.00000000000000 15.999 *10 O 0.26778275551364 0.45352821381834 0.00000000000000 15.999 11 O 0.23221724448636 0.95352821381834 0.00000000000000 15.999 12 O 0.96810079014607 0.34485781346495 0.00000000000000 15.999 13 O 0.03189920985393 0.65514218653505 0.00000000000000 15.999 14 O 0.53189920985393 0.84485781346495 0.00000000000000 15.999 15 O 0.73221724448636 0.54647178618166 0.00000000000000 15.999 16 O 0.76778275551364 0.04647178618166 0.00000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.311673130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.347299090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.611748250000000 Atomic positions (fractional): *1 Rb 0.09612981668084 0.15120876968652 0.50000000000000 85.468 > 1 2 Rb 0.40387018331916 0.65120876968652 0.50000000000000 85.468 > 2 3 Rb 0.90387018331916 0.84879123031348 0.50000000000000 85.468 > 3 4 Rb 0.59612981668084 0.34879123031347 0.50000000000000 85.468 > 4 *5 C 0.06852627838069 0.44161060633206 0.00000000000000 12.011 > 5 6 C 0.56852627838069 0.05838939366794 0.00000000000000 12.011 > 6 7 C 0.93147372161931 0.55838939366794 0.00000000000000 12.011 > 7 8 C 0.43147372161931 0.94161060633206 0.00000000000000 12.011 > 8 *9 O 0.46810079014607 0.15514218653505 0.00000000000000 15.999 > 9 *10 O 0.26778275551364 0.45352821381834 0.00000000000000 15.999 > 10 11 O 0.23221724448636 0.95352821381834 0.00000000000000 15.999 > 11 12 O 0.96810079014607 0.34485781346495 0.00000000000000 15.999 > 12 13 O 0.03189920985393 0.65514218653505 0.00000000000000 15.999 > 13 14 O 0.53189920985393 0.84485781346495 0.00000000000000 15.999 > 14 15 O 0.73221724448636 0.54647178618166 0.00000000000000 15.999 > 15 16 O 0.76778275551364 0.04647178618166 0.00000000000000 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.623346260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.347299090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.446993000000001 Atomic positions (fractional): *1 Rb 0.04806490834042 0.15120876968652 0.12500000000000 85.468 > 1 2 Rb 0.54806490834042 0.15120876968652 0.12500000000000 85.468 > 1 3 Rb 0.04806490834042 0.15120876968652 0.37500000000000 85.468 > 1 4 Rb 0.54806490834042 0.15120876968652 0.37500000000000 85.468 > 1 5 Rb 0.04806490834042 0.15120876968652 0.62500000000000 85.468 > 1 6 Rb 0.54806490834042 0.15120876968652 0.62500000000000 85.468 > 1 7 Rb 0.04806490834042 0.15120876968652 0.87500000000000 85.468 > 1 8 Rb 0.54806490834042 0.15120876968652 0.87500000000000 85.468 > 1 9 Rb 0.20193509165958 0.65120876968652 0.12500000000000 85.468 > 2 10 Rb 0.70193509165958 0.65120876968652 0.12500000000000 85.468 > 2 11 Rb 0.20193509165958 0.65120876968652 0.37500000000000 85.468 > 2 12 Rb 0.70193509165958 0.65120876968652 0.37500000000000 85.468 > 2 13 Rb 0.20193509165958 0.65120876968652 0.62500000000000 85.468 > 2 14 Rb 0.70193509165958 0.65120876968652 0.62500000000000 85.468 > 2 15 Rb 0.20193509165958 0.65120876968652 0.87500000000000 85.468 > 2 16 Rb 0.70193509165958 0.65120876968652 0.87500000000000 85.468 > 2 17 Rb 0.45193509165958 0.84879123031348 0.12500000000000 85.468 > 3 18 Rb 0.95193509165958 0.84879123031348 0.12500000000000 85.468 > 3 19 Rb 0.45193509165958 0.84879123031348 0.37500000000000 85.468 > 3 20 Rb 0.95193509165958 0.84879123031348 0.37500000000000 85.468 > 3 21 Rb 0.45193509165958 0.84879123031348 0.62500000000000 85.468 > 3 22 Rb 0.95193509165958 0.84879123031348 0.62500000000000 85.468 > 3 23 Rb 0.45193509165958 0.84879123031348 0.87500000000000 85.468 > 3 24 Rb 0.95193509165958 0.84879123031348 0.87500000000000 85.468 > 3 25 Rb 0.29806490834042 0.34879123031347 0.12500000000000 85.468 > 4 26 Rb 0.79806490834042 0.34879123031347 0.12500000000000 85.468 > 4 27 Rb 0.29806490834042 0.34879123031347 0.37500000000000 85.468 > 4 28 Rb 0.79806490834042 0.34879123031347 0.37500000000000 85.468 > 4 29 Rb 0.29806490834042 0.34879123031347 0.62500000000000 85.468 > 4 30 Rb 0.79806490834042 0.34879123031347 0.62500000000000 85.468 > 4 31 Rb 0.29806490834042 0.34879123031347 0.87500000000000 85.468 > 4 32 Rb 0.79806490834042 0.34879123031347 0.87500000000000 85.468 > 4 *33 C 0.03426313919035 0.44161060633206 0.00000000000000 12.011 > 5 34 C 0.53426313919035 0.44161060633206 0.00000000000000 12.011 > 5 35 C 0.03426313919035 0.44161060633206 0.25000000000000 12.011 > 5 36 C 0.53426313919035 0.44161060633206 0.25000000000000 12.011 > 5 37 C 0.03426313919035 0.44161060633206 0.50000000000000 12.011 > 5 38 C 0.53426313919035 0.44161060633206 0.50000000000000 12.011 > 5 39 C 0.03426313919035 0.44161060633206 0.75000000000000 12.011 > 5 40 C 0.53426313919035 0.44161060633206 0.75000000000000 12.011 > 5 41 C 0.28426313919035 0.05838939366794 0.00000000000000 12.011 > 6 42 C 0.78426313919035 0.05838939366794 0.00000000000000 12.011 > 6 43 C 0.28426313919035 0.05838939366794 0.25000000000000 12.011 > 6 44 C 0.78426313919035 0.05838939366794 0.25000000000000 12.011 > 6 45 C 0.28426313919035 0.05838939366794 0.50000000000000 12.011 > 6 46 C 0.78426313919035 0.05838939366794 0.50000000000000 12.011 > 6 47 C 0.28426313919035 0.05838939366794 0.75000000000000 12.011 > 6 48 C 0.78426313919035 0.05838939366794 0.75000000000000 12.011 > 6 49 C 0.46573686080965 0.55838939366794 0.00000000000000 12.011 > 7 50 C 0.96573686080965 0.55838939366794 0.00000000000000 12.011 > 7 51 C 0.46573686080965 0.55838939366794 0.25000000000000 12.011 > 7 52 C 0.96573686080965 0.55838939366794 0.25000000000000 12.011 > 7 53 C 0.46573686080965 0.55838939366794 0.50000000000000 12.011 > 7 54 C 0.96573686080965 0.55838939366794 0.50000000000000 12.011 > 7 55 C 0.46573686080965 0.55838939366794 0.75000000000000 12.011 > 7 56 C 0.96573686080965 0.55838939366794 0.75000000000000 12.011 > 7 57 C 0.21573686080965 0.94161060633206 0.00000000000000 12.011 > 8 58 C 0.71573686080965 0.94161060633206 0.00000000000000 12.011 > 8 59 C 0.21573686080965 0.94161060633206 0.25000000000000 12.011 > 8 60 C 0.71573686080965 0.94161060633206 0.25000000000000 12.011 > 8 61 C 0.21573686080965 0.94161060633206 0.50000000000000 12.011 > 8 62 C 0.71573686080965 0.94161060633206 0.50000000000000 12.011 > 8 63 C 0.21573686080965 0.94161060633206 0.75000000000000 12.011 > 8 64 C 0.71573686080965 0.94161060633206 0.75000000000000 12.011 > 8 *65 O 0.23405039507304 0.15514218653505 0.00000000000000 15.999 > 9 66 O 0.73405039507304 0.15514218653505 0.00000000000000 15.999 > 9 67 O 0.23405039507304 0.15514218653505 0.25000000000000 15.999 > 9 68 O 0.73405039507304 0.15514218653505 0.25000000000000 15.999 > 9 69 O 0.23405039507304 0.15514218653505 0.50000000000000 15.999 > 9 70 O 0.73405039507304 0.15514218653505 0.50000000000000 15.999 > 9 71 O 0.23405039507304 0.15514218653505 0.75000000000000 15.999 > 9 72 O 0.73405039507304 0.15514218653505 0.75000000000000 15.999 > 9 *73 O 0.13389137775682 0.45352821381834 0.00000000000000 15.999 > 10 74 O 0.63389137775682 0.45352821381834 0.00000000000000 15.999 > 10 75 O 0.13389137775682 0.45352821381834 0.25000000000000 15.999 > 10 76 O 0.63389137775682 0.45352821381834 0.25000000000000 15.999 > 10 77 O 0.13389137775682 0.45352821381834 0.50000000000000 15.999 > 10 78 O 0.63389137775682 0.45352821381834 0.50000000000000 15.999 > 10 79 O 0.13389137775682 0.45352821381834 0.75000000000000 15.999 > 10 80 O 0.63389137775682 0.45352821381834 0.75000000000000 15.999 > 10 81 O 0.11610862224318 0.95352821381834 0.00000000000000 15.999 > 11 82 O 0.61610862224318 0.95352821381834 0.00000000000000 15.999 > 11 83 O 0.11610862224318 0.95352821381834 0.25000000000000 15.999 > 11 84 O 0.61610862224318 0.95352821381834 0.25000000000000 15.999 > 11 85 O 0.11610862224318 0.95352821381834 0.50000000000000 15.999 > 11 86 O 0.61610862224318 0.95352821381834 0.50000000000000 15.999 > 11 87 O 0.11610862224318 0.95352821381834 0.75000000000000 15.999 > 11 88 O 0.61610862224318 0.95352821381834 0.75000000000000 15.999 > 11 89 O 0.48405039507304 0.34485781346495 0.00000000000000 15.999 > 12 90 O 0.98405039507304 0.34485781346495 0.00000000000000 15.999 > 12 91 O 0.48405039507304 0.34485781346495 0.25000000000000 15.999 > 12 92 O 0.98405039507304 0.34485781346495 0.25000000000000 15.999 > 12 93 O 0.48405039507304 0.34485781346495 0.50000000000000 15.999 > 12 94 O 0.98405039507304 0.34485781346495 0.50000000000000 15.999 > 12 95 O 0.48405039507304 0.34485781346495 0.75000000000000 15.999 > 12 96 O 0.98405039507304 0.34485781346495 0.75000000000000 15.999 > 12 97 O 0.01594960492696 0.65514218653505 0.00000000000000 15.999 > 13 98 O 0.51594960492696 0.65514218653505 0.00000000000000 15.999 > 13 99 O 0.01594960492696 0.65514218653505 0.25000000000000 15.999 > 13 100 O 0.51594960492696 0.65514218653505 0.25000000000000 15.999 > 13 101 O 0.01594960492696 0.65514218653505 0.50000000000000 15.999 > 13 102 O 0.51594960492696 0.65514218653505 0.50000000000000 15.999 > 13 103 O 0.01594960492696 0.65514218653505 0.75000000000000 15.999 > 13 104 O 0.51594960492696 0.65514218653505 0.75000000000000 15.999 > 13 105 O 0.26594960492696 0.84485781346495 0.00000000000000 15.999 > 14 106 O 0.76594960492696 0.84485781346495 0.00000000000000 15.999 > 14 107 O 0.26594960492696 0.84485781346495 0.25000000000000 15.999 > 14 108 O 0.76594960492696 0.84485781346495 0.25000000000000 15.999 > 14 109 O 0.26594960492696 0.84485781346495 0.50000000000000 15.999 > 14 110 O 0.76594960492696 0.84485781346495 0.50000000000000 15.999 > 14 111 O 0.26594960492696 0.84485781346495 0.75000000000000 15.999 > 14 112 O 0.76594960492696 0.84485781346495 0.75000000000000 15.999 > 14 113 O 0.36610862224318 0.54647178618166 0.00000000000000 15.999 > 15 114 O 0.86610862224318 0.54647178618166 0.00000000000000 15.999 > 15 115 O 0.36610862224318 0.54647178618166 0.25000000000000 15.999 > 15 116 O 0.86610862224318 0.54647178618166 0.25000000000000 15.999 > 15 117 O 0.36610862224318 0.54647178618166 0.50000000000000 15.999 > 15 118 O 0.86610862224318 0.54647178618166 0.50000000000000 15.999 > 15 119 O 0.36610862224318 0.54647178618166 0.75000000000000 15.999 > 15 120 O 0.86610862224318 0.54647178618166 0.75000000000000 15.999 > 15 121 O 0.38389137775682 0.04647178618166 0.00000000000000 15.999 > 16 122 O 0.88389137775682 0.04647178618166 0.00000000000000 15.999 > 16 123 O 0.38389137775682 0.04647178618166 0.25000000000000 15.999 > 16 124 O 0.88389137775682 0.04647178618166 0.25000000000000 15.999 > 16 125 O 0.38389137775682 0.04647178618166 0.50000000000000 15.999 > 16 126 O 0.88389137775682 0.04647178618166 0.50000000000000 15.999 > 16 127 O 0.38389137775682 0.04647178618166 0.75000000000000 15.999 > 16 128 O 0.88389137775682 0.04647178618166 0.75000000000000 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7130685 0.0000000 0.0000000 0.0000000 2.6016468 0.0000000 0.0000000 0.0000000 2.1664265 -------------------------- Born effective charges -------------------------- 1 Rb 1.3108541 -0.0295550 0.0000000 -0.1429805 1.2553616 0.0000000 0.0000000 0.0000000 1.2985715 2 Rb 1.3108541 0.0295550 0.0000000 0.1429805 1.2553616 0.0000000 0.0000000 0.0000000 1.2985715 3 Rb 1.3108541 -0.0295550 0.0000000 -0.1429805 1.2553616 0.0000000 0.0000000 0.0000000 1.2985715 4 Rb 1.3108541 0.0295550 0.0000000 0.1429805 1.2553616 0.0000000 0.0000000 0.0000000 1.2985715 5 C 2.1987205 0.6441396 0.0000000 0.7093033 1.6338173 0.0000000 0.0000000 0.0000000 0.2646345 6 C 2.1987205 -0.6441396 0.0000000 -0.7093033 1.6338173 0.0000000 0.0000000 0.0000000 0.2646345 7 C 2.1987205 0.6441396 0.0000000 0.7093033 1.6338173 0.0000000 0.0000000 0.0000000 0.2646345 8 C 2.1987205 -0.6441396 0.0000000 -0.7093033 1.6338173 0.0000000 0.0000000 0.0000000 0.2646345 9 O -1.3170945 0.6781410 0.0000000 0.3223967 -1.8854318 0.0000000 0.0000000 0.0000000 -0.7912618 10 O -2.1924802 0.0774570 0.0000000 -0.3824860 -1.0037471 0.0000000 0.0000000 0.0000000 -0.7719442 11 O -2.1924802 -0.0774570 0.0000000 0.3824860 -1.0037471 0.0000000 0.0000000 0.0000000 -0.7719442 12 O -1.3170945 -0.6781410 0.0000000 -0.3223967 -1.8854318 0.0000000 0.0000000 0.0000000 -0.7912618 13 O -1.3170945 -0.6781410 0.0000000 -0.3223967 -1.8854318 0.0000000 0.0000000 0.0000000 -0.7912618 14 O -1.3170945 0.6781410 0.0000000 0.3223967 -1.8854318 0.0000000 0.0000000 0.0000000 -0.7912618 15 O -2.1924802 0.0774570 0.0000000 -0.3824860 -1.0037471 0.0000000 0.0000000 0.0000000 -0.7719442 16 O -2.1924802 -0.0774570 0.0000000 0.3824860 -1.0037471 0.0000000 0.0000000 0.0000000 -0.7719442 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1300 Number of blocks in projector: 1300 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 204 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 204 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 204 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1300, 1280), data: False |-- (176, 176), data: True |-- (176, 176), data: True |-- (204, 200), data: True |-- (204, 200), data: True |-- (204, 200), data: True |-- (336, 328), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 240 - Time: 1.826 Solver_block: 200 / 240 - Time: 1.789 Solver_block: 240 / 240 - Time: 0.784 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.427 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1300 Number of blocks in projector: 1300 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 204 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 204 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 204 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1300, 1280), data: False |-- (176, 176), data: True |-- (176, 176), data: True |-- (204, 200), data: True |-- (204, 200), data: True |-- (204, 200), data: True |-- (336, 328), 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 13:06:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:06:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.311673130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.347299090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.611748250000000 Atomic positions (fractional): 1 Rb 0.09612981668084 0.15120876968652 0.50000000000000 85.468 2 Rb 0.40387018331916 0.65120876968652 0.50000000000000 85.468 3 Rb 0.90387018331916 0.84879123031348 0.50000000000000 85.468 4 Rb 0.59612981668084 0.34879123031347 0.50000000000000 85.468 5 C 0.06852627838069 0.44161060633206 0.00000000000000 12.011 6 C 0.56852627838069 0.05838939366794 0.00000000000000 12.011 7 C 0.93147372161931 0.55838939366794 0.00000000000000 12.011 8 C 0.43147372161931 0.94161060633206 0.00000000000000 12.011 9 O 0.46810079014607 0.15514218653505 0.00000000000000 15.999 10 O 0.26778275551364 0.45352821381834 0.00000000000000 15.999 11 O 0.23221724448636 0.95352821381834 0.00000000000000 15.999 12 O 0.96810079014607 0.34485781346495 0.00000000000000 15.999 13 O 0.03189920985393 0.65514218653505 0.00000000000000 15.999 14 O 0.53189920985393 0.84485781346495 0.00000000000000 15.999 15 O 0.73221724448636 0.54647178618166 0.00000000000000 15.999 16 O 0.76778275551364 0.04647178618166 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.623346260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.347299090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.446993000000001 Atomic positions (fractional): 1 Rb 0.04806490834042 0.15120876968652 0.12500000000000 85.468 > 1 2 Rb 0.54806490834042 0.15120876968652 0.12500000000000 85.468 > 1 3 Rb 0.04806490834042 0.15120876968652 0.37500000000000 85.468 > 1 4 Rb 0.54806490834042 0.15120876968652 0.37500000000000 85.468 > 1 5 Rb 0.04806490834042 0.15120876968652 0.62500000000000 85.468 > 1 6 Rb 0.54806490834042 0.15120876968652 0.62500000000000 85.468 > 1 7 Rb 0.04806490834042 0.15120876968652 0.87500000000000 85.468 > 1 8 Rb 0.54806490834042 0.15120876968652 0.87500000000000 85.468 > 1 9 Rb 0.20193509165958 0.65120876968652 0.12500000000000 85.468 > 9 10 Rb 0.70193509165958 0.65120876968652 0.12500000000000 85.468 > 9 11 Rb 0.20193509165958 0.65120876968652 0.37500000000000 85.468 > 9 12 Rb 0.70193509165958 0.65120876968652 0.37500000000000 85.468 > 9 13 Rb 0.20193509165958 0.65120876968652 0.62500000000000 85.468 > 9 14 Rb 0.70193509165958 0.65120876968652 0.62500000000000 85.468 > 9 15 Rb 0.20193509165958 0.65120876968652 0.87500000000000 85.468 > 9 16 Rb 0.70193509165958 0.65120876968652 0.87500000000000 85.468 > 9 17 Rb 0.45193509165958 0.84879123031348 0.12500000000000 85.468 > 17 18 Rb 0.95193509165958 0.84879123031348 0.12500000000000 85.468 > 17 19 Rb 0.45193509165958 0.84879123031348 0.37500000000000 85.468 > 17 20 Rb 0.95193509165958 0.84879123031348 0.37500000000000 85.468 > 17 21 Rb 0.45193509165958 0.84879123031348 0.62500000000000 85.468 > 17 22 Rb 0.95193509165958 0.84879123031348 0.62500000000000 85.468 > 17 23 Rb 0.45193509165958 0.84879123031348 0.87500000000000 85.468 > 17 24 Rb 0.95193509165958 0.84879123031348 0.87500000000000 85.468 > 17 25 Rb 0.29806490834042 0.34879123031347 0.12500000000000 85.468 > 25 26 Rb 0.79806490834042 0.34879123031347 0.12500000000000 85.468 > 25 27 Rb 0.29806490834042 0.34879123031347 0.37500000000000 85.468 > 25 28 Rb 0.79806490834042 0.34879123031347 0.37500000000000 85.468 > 25 29 Rb 0.29806490834042 0.34879123031347 0.62500000000000 85.468 > 25 30 Rb 0.79806490834042 0.34879123031347 0.62500000000000 85.468 > 25 31 Rb 0.29806490834042 0.34879123031347 0.87500000000000 85.468 > 25 32 Rb 0.79806490834042 0.34879123031347 0.87500000000000 85.468 > 25 33 C 0.03426313919035 0.44161060633206 0.00000000000000 12.011 > 33 34 C 0.53426313919035 0.44161060633206 0.00000000000000 12.011 > 33 35 C 0.03426313919035 0.44161060633206 0.25000000000000 12.011 > 33 36 C 0.53426313919035 0.44161060633206 0.25000000000000 12.011 > 33 37 C 0.03426313919035 0.44161060633206 0.50000000000000 12.011 > 33 38 C 0.53426313919035 0.44161060633206 0.50000000000000 12.011 > 33 39 C 0.03426313919035 0.44161060633206 0.75000000000000 12.011 > 33 40 C 0.53426313919035 0.44161060633206 0.75000000000000 12.011 > 33 41 C 0.28426313919035 0.05838939366794 0.00000000000000 12.011 > 41 42 C 0.78426313919035 0.05838939366794 0.00000000000000 12.011 > 41 43 C 0.28426313919035 0.05838939366794 0.25000000000000 12.011 > 41 44 C 0.78426313919035 0.05838939366794 0.25000000000000 12.011 > 41 45 C 0.28426313919035 0.05838939366794 0.50000000000000 12.011 > 41 46 C 0.78426313919035 0.05838939366794 0.50000000000000 12.011 > 41 47 C 0.28426313919035 0.05838939366794 0.75000000000000 12.011 > 41 48 C 0.78426313919035 0.05838939366794 0.75000000000000 12.011 > 41 49 C 0.46573686080965 0.55838939366794 0.00000000000000 12.011 > 49 50 C 0.96573686080965 0.55838939366794 0.00000000000000 12.011 > 49 51 C 0.46573686080965 0.55838939366794 0.25000000000000 12.011 > 49 52 C 0.96573686080965 0.55838939366794 0.25000000000000 12.011 > 49 53 C 0.46573686080965 0.55838939366794 0.50000000000000 12.011 > 49 54 C 0.96573686080965 0.55838939366794 0.50000000000000 12.011 > 49 55 C 0.46573686080965 0.55838939366794 0.75000000000000 12.011 > 49 56 C 0.96573686080965 0.55838939366794 0.75000000000000 12.011 > 49 57 C 0.21573686080965 0.94161060633206 0.00000000000000 12.011 > 57 58 C 0.71573686080965 0.94161060633206 0.00000000000000 12.011 > 57 59 C 0.21573686080965 0.94161060633206 0.25000000000000 12.011 > 57 60 C 0.71573686080965 0.94161060633206 0.25000000000000 12.011 > 57 61 C 0.21573686080965 0.94161060633206 0.50000000000000 12.011 > 57 62 C 0.71573686080965 0.94161060633206 0.50000000000000 12.011 > 57 63 C 0.21573686080965 0.94161060633206 0.75000000000000 12.011 > 57 64 C 0.71573686080965 0.94161060633206 0.75000000000000 12.011 > 57 65 O 0.23405039507304 0.15514218653505 0.00000000000000 15.999 > 65 66 O 0.73405039507304 0.15514218653505 0.00000000000000 15.999 > 65 67 O 0.23405039507304 0.15514218653505 0.25000000000000 15.999 > 65 68 O 0.73405039507304 0.15514218653505 0.25000000000000 15.999 > 65 69 O 0.23405039507304 0.15514218653505 0.50000000000000 15.999 > 65 70 O 0.73405039507304 0.15514218653505 0.50000000000000 15.999 > 65 71 O 0.23405039507304 0.15514218653505 0.75000000000000 15.999 > 65 72 O 0.73405039507304 0.15514218653505 0.75000000000000 15.999 > 65 73 O 0.13389137775682 0.45352821381834 0.00000000000000 15.999 > 73 74 O 0.63389137775682 0.45352821381834 0.00000000000000 15.999 > 73 75 O 0.13389137775682 0.45352821381834 0.25000000000000 15.999 > 73 76 O 0.63389137775682 0.45352821381834 0.25000000000000 15.999 > 73 77 O 0.13389137775682 0.45352821381834 0.50000000000000 15.999 > 73 78 O 0.63389137775682 0.45352821381834 0.50000000000000 15.999 > 73 79 O 0.13389137775682 0.45352821381834 0.75000000000000 15.999 > 73 80 O 0.63389137775682 0.45352821381834 0.75000000000000 15.999 > 73 81 O 0.11610862224318 0.95352821381834 0.00000000000000 15.999 > 81 82 O 0.61610862224318 0.95352821381834 0.00000000000000 15.999 > 81 83 O 0.11610862224318 0.95352821381834 0.25000000000000 15.999 > 81 84 O 0.61610862224318 0.95352821381834 0.25000000000000 15.999 > 81 85 O 0.11610862224318 0.95352821381834 0.50000000000000 15.999 > 81 86 O 0.61610862224318 0.95352821381834 0.50000000000000 15.999 > 81 87 O 0.11610862224318 0.95352821381834 0.75000000000000 15.999 > 81 88 O 0.61610862224318 0.95352821381834 0.75000000000000 15.999 > 81 89 O 0.48405039507304 0.34485781346495 0.00000000000000 15.999 > 89 90 O 0.98405039507304 0.34485781346495 0.00000000000000 15.999 > 89 91 O 0.48405039507304 0.34485781346495 0.25000000000000 15.999 > 89 92 O 0.98405039507304 0.34485781346495 0.25000000000000 15.999 > 89 93 O 0.48405039507304 0.34485781346495 0.50000000000000 15.999 > 89 94 O 0.98405039507304 0.34485781346495 0.50000000000000 15.999 > 89 95 O 0.48405039507304 0.34485781346495 0.75000000000000 15.999 > 89 96 O 0.98405039507304 0.34485781346495 0.75000000000000 15.999 > 89 97 O 0.01594960492696 0.65514218653505 0.00000000000000 15.999 > 97 98 O 0.51594960492696 0.65514218653505 0.00000000000000 15.999 > 97 99 O 0.01594960492696 0.65514218653505 0.25000000000000 15.999 > 97 100 O 0.51594960492696 0.65514218653505 0.25000000000000 15.999 > 97 101 O 0.01594960492696 0.65514218653505 0.50000000000000 15.999 > 97 102 O 0.51594960492696 0.65514218653505 0.50000000000000 15.999 > 97 103 O 0.01594960492696 0.65514218653505 0.75000000000000 15.999 > 97 104 O 0.51594960492696 0.65514218653505 0.75000000000000 15.999 > 97 105 O 0.26594960492696 0.84485781346495 0.00000000000000 15.999 > 105 106 O 0.76594960492696 0.84485781346495 0.00000000000000 15.999 > 105 107 O 0.26594960492696 0.84485781346495 0.25000000000000 15.999 > 105 108 O 0.76594960492696 0.84485781346495 0.25000000000000 15.999 > 105 109 O 0.26594960492696 0.84485781346495 0.50000000000000 15.999 > 105 110 O 0.76594960492696 0.84485781346495 0.50000000000000 15.999 > 105 111 O 0.26594960492696 0.84485781346495 0.75000000000000 15.999 > 105 112 O 0.76594960492696 0.84485781346495 0.75000000000000 15.999 > 105 113 O 0.36610862224318 0.54647178618166 0.00000000000000 15.999 > 113 114 O 0.86610862224318 0.54647178618166 0.00000000000000 15.999 > 113 115 O 0.36610862224318 0.54647178618166 0.25000000000000 15.999 > 113 116 O 0.86610862224318 0.54647178618166 0.25000000000000 15.999 > 113 117 O 0.36610862224318 0.54647178618166 0.50000000000000 15.999 > 113 118 O 0.86610862224318 0.54647178618166 0.50000000000000 15.999 > 113 119 O 0.36610862224318 0.54647178618166 0.75000000000000 15.999 > 113 120 O 0.86610862224318 0.54647178618166 0.75000000000000 15.999 > 113 121 O 0.38389137775682 0.04647178618166 0.00000000000000 15.999 > 121 122 O 0.88389137775682 0.04647178618166 0.00000000000000 15.999 > 121 123 O 0.38389137775682 0.04647178618166 0.25000000000000 15.999 > 121 124 O 0.88389137775682 0.04647178618166 0.25000000000000 15.999 > 121 125 O 0.38389137775682 0.04647178618166 0.50000000000000 15.999 > 121 126 O 0.88389137775682 0.04647178618166 0.50000000000000 15.999 > 121 127 O 0.38389137775682 0.04647178618166 0.75000000000000 15.999 > 121 128 O 0.88389137775682 0.04647178618166 0.75000000000000 15.999 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7130685 0.0000000 0.0000000 0.0000000 2.6016468 0.0000000 0.0000000 0.0000000 2.1664265 -------------------------- Born effective charges -------------------------- 1 Rb 1.3108541 -0.0295550 0.0000000 -0.1429805 1.2553616 0.0000000 0.0000000 0.0000000 1.2985715 2 Rb 1.3108541 0.0295550 0.0000000 0.1429805 1.2553616 0.0000000 0.0000000 0.0000000 1.2985715 3 Rb 1.3108541 -0.0295550 0.0000000 -0.1429805 1.2553616 0.0000000 0.0000000 0.0000000 1.2985715 4 Rb 1.3108541 0.0295550 0.0000000 0.1429805 1.2553616 0.0000000 0.0000000 0.0000000 1.2985715 5 C 2.1987205 0.6441396 0.0000000 0.7093033 1.6338173 0.0000000 0.0000000 0.0000000 0.2646345 6 C 2.1987205 -0.6441396 0.0000000 -0.7093033 1.6338173 0.0000000 0.0000000 0.0000000 0.2646345 7 C 2.1987205 0.6441396 0.0000000 0.7093033 1.6338173 0.0000000 0.0000000 0.0000000 0.2646345 8 C 2.1987205 -0.6441396 0.0000000 -0.7093033 1.6338173 0.0000000 0.0000000 0.0000000 0.2646345 9 O -1.3170945 0.6781410 0.0000000 0.3223967 -1.8854318 0.0000000 0.0000000 0.0000000 -0.7912618 10 O -2.1924802 0.0774570 0.0000000 -0.3824860 -1.0037471 0.0000000 0.0000000 0.0000000 -0.7719442 11 O -2.1924802 -0.0774570 0.0000000 0.3824860 -1.0037471 0.0000000 0.0000000 0.0000000 -0.7719442 12 O -1.3170945 -0.6781410 0.0000000 -0.3223967 -1.8854318 0.0000000 0.0000000 0.0000000 -0.7912618 13 O -1.3170945 -0.6781410 0.0000000 -0.3223967 -1.8854318 0.0000000 0.0000000 0.0000000 -0.7912618 14 O -1.3170945 0.6781410 0.0000000 0.3223967 -1.8854318 0.0000000 0.0000000 0.0000000 -0.7912618 15 O -2.1924802 0.0774570 0.0000000 -0.3824860 -1.0037471 0.0000000 0.0000000 0.0000000 -0.7719442 16 O -2.1924802 -0.0774570 0.0000000 0.3824860 -1.0037471 0.0000000 0.0000000 0.0000000 -0.7719442 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) 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 13:06:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:06:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.311673130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.347299090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.611748250000000 Atomic positions (fractional): 1 Rb 0.09612981668084 0.15120876968652 0.50000000000000 85.468 2 Rb 0.40387018331916 0.65120876968652 0.50000000000000 85.468 3 Rb 0.90387018331916 0.84879123031348 0.50000000000000 85.468 4 Rb 0.59612981668084 0.34879123031347 0.50000000000000 85.468 5 C 0.06852627838069 0.44161060633206 0.00000000000000 12.011 6 C 0.56852627838069 0.05838939366794 0.00000000000000 12.011 7 C 0.93147372161931 0.55838939366794 0.00000000000000 12.011 8 C 0.43147372161931 0.94161060633206 0.00000000000000 12.011 9 O 0.46810079014607 0.15514218653505 0.00000000000000 15.999 10 O 0.26778275551364 0.45352821381834 0.00000000000000 15.999 11 O 0.23221724448636 0.95352821381834 0.00000000000000 15.999 12 O 0.96810079014607 0.34485781346495 0.00000000000000 15.999 13 O 0.03189920985393 0.65514218653505 0.00000000000000 15.999 14 O 0.53189920985393 0.84485781346495 0.00000000000000 15.999 15 O 0.73221724448636 0.54647178618166 0.00000000000000 15.999 16 O 0.76778275551364 0.04647178618166 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.623346260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.347299090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.446993000000001 Atomic positions (fractional): 1 Rb 0.04806490834042 0.15120876968652 0.12500000000000 85.468 > 1 2 Rb 0.54806490834042 0.15120876968652 0.12500000000000 85.468 > 1 3 Rb 0.04806490834042 0.15120876968652 0.37500000000000 85.468 > 1 4 Rb 0.54806490834042 0.15120876968652 0.37500000000000 85.468 > 1 5 Rb 0.04806490834042 0.15120876968652 0.62500000000000 85.468 > 1 6 Rb 0.54806490834042 0.15120876968652 0.62500000000000 85.468 > 1 7 Rb 0.04806490834042 0.15120876968652 0.87500000000000 85.468 > 1 8 Rb 0.54806490834042 0.15120876968652 0.87500000000000 85.468 > 1 9 Rb 0.20193509165958 0.65120876968652 0.12500000000000 85.468 > 9 10 Rb 0.70193509165958 0.65120876968652 0.12500000000000 85.468 > 9 11 Rb 0.20193509165958 0.65120876968652 0.37500000000000 85.468 > 9 12 Rb 0.70193509165958 0.65120876968652 0.37500000000000 85.468 > 9 13 Rb 0.20193509165958 0.65120876968652 0.62500000000000 85.468 > 9 14 Rb 0.70193509165958 0.65120876968652 0.62500000000000 85.468 > 9 15 Rb 0.20193509165958 0.65120876968652 0.87500000000000 85.468 > 9 16 Rb 0.70193509165958 0.65120876968652 0.87500000000000 85.468 > 9 17 Rb 0.45193509165958 0.84879123031348 0.12500000000000 85.468 > 17 18 Rb 0.95193509165958 0.84879123031348 0.12500000000000 85.468 > 17 19 Rb 0.45193509165958 0.84879123031348 0.37500000000000 85.468 > 17 20 Rb 0.95193509165958 0.84879123031348 0.37500000000000 85.468 > 17 21 Rb 0.45193509165958 0.84879123031348 0.62500000000000 85.468 > 17 22 Rb 0.95193509165958 0.84879123031348 0.62500000000000 85.468 > 17 23 Rb 0.45193509165958 0.84879123031348 0.87500000000000 85.468 > 17 24 Rb 0.95193509165958 0.84879123031348 0.87500000000000 85.468 > 17 25 Rb 0.29806490834042 0.34879123031347 0.12500000000000 85.468 > 25 26 Rb 0.79806490834042 0.34879123031347 0.12500000000000 85.468 > 25 27 Rb 0.29806490834042 0.34879123031347 0.37500000000000 85.468 > 25 28 Rb 0.79806490834042 0.34879123031347 0.37500000000000 85.468 > 25 29 Rb 0.29806490834042 0.34879123031347 0.62500000000000 85.468 > 25 30 Rb 0.79806490834042 0.34879123031347 0.62500000000000 85.468 > 25 31 Rb 0.29806490834042 0.34879123031347 0.87500000000000 85.468 > 25 32 Rb 0.79806490834042 0.34879123031347 0.87500000000000 85.468 > 25 33 C 0.03426313919035 0.44161060633206 0.00000000000000 12.011 > 33 34 C 0.53426313919035 0.44161060633206 0.00000000000000 12.011 > 33 35 C 0.03426313919035 0.44161060633206 0.25000000000000 12.011 > 33 36 C 0.53426313919035 0.44161060633206 0.25000000000000 12.011 > 33 37 C 0.03426313919035 0.44161060633206 0.50000000000000 12.011 > 33 38 C 0.53426313919035 0.44161060633206 0.50000000000000 12.011 > 33 39 C 0.03426313919035 0.44161060633206 0.75000000000000 12.011 > 33 40 C 0.53426313919035 0.44161060633206 0.75000000000000 12.011 > 33 41 C 0.28426313919035 0.05838939366794 0.00000000000000 12.011 > 41 42 C 0.78426313919035 0.05838939366794 0.00000000000000 12.011 > 41 43 C 0.28426313919035 0.05838939366794 0.25000000000000 12.011 > 41 44 C 0.78426313919035 0.05838939366794 0.25000000000000 12.011 > 41 45 C 0.28426313919035 0.05838939366794 0.50000000000000 12.011 > 41 46 C 0.78426313919035 0.05838939366794 0.50000000000000 12.011 > 41 47 C 0.28426313919035 0.05838939366794 0.75000000000000 12.011 > 41 48 C 0.78426313919035 0.05838939366794 0.75000000000000 12.011 > 41 49 C 0.46573686080965 0.55838939366794 0.00000000000000 12.011 > 49 50 C 0.96573686080965 0.55838939366794 0.00000000000000 12.011 > 49 51 C 0.46573686080965 0.55838939366794 0.25000000000000 12.011 > 49 52 C 0.96573686080965 0.55838939366794 0.25000000000000 12.011 > 49 53 C 0.46573686080965 0.55838939366794 0.50000000000000 12.011 > 49 54 C 0.96573686080965 0.55838939366794 0.50000000000000 12.011 > 49 55 C 0.46573686080965 0.55838939366794 0.75000000000000 12.011 > 49 56 C 0.96573686080965 0.55838939366794 0.75000000000000 12.011 > 49 57 C 0.21573686080965 0.94161060633206 0.00000000000000 12.011 > 57 58 C 0.71573686080965 0.94161060633206 0.00000000000000 12.011 > 57 59 C 0.21573686080965 0.94161060633206 0.25000000000000 12.011 > 57 60 C 0.71573686080965 0.94161060633206 0.25000000000000 12.011 > 57 61 C 0.21573686080965 0.94161060633206 0.50000000000000 12.011 > 57 62 C 0.71573686080965 0.94161060633206 0.50000000000000 12.011 > 57 63 C 0.21573686080965 0.94161060633206 0.75000000000000 12.011 > 57 64 C 0.71573686080965 0.94161060633206 0.75000000000000 12.011 > 57 65 O 0.23405039507304 0.15514218653505 0.00000000000000 15.999 > 65 66 O 0.73405039507304 0.15514218653505 0.00000000000000 15.999 > 65 67 O 0.23405039507304 0.15514218653505 0.25000000000000 15.999 > 65 68 O 0.73405039507304 0.15514218653505 0.25000000000000 15.999 > 65 69 O 0.23405039507304 0.15514218653505 0.50000000000000 15.999 > 65 70 O 0.73405039507304 0.15514218653505 0.50000000000000 15.999 > 65 71 O 0.23405039507304 0.15514218653505 0.75000000000000 15.999 > 65 72 O 0.73405039507304 0.15514218653505 0.75000000000000 15.999 > 65 73 O 0.13389137775682 0.45352821381834 0.00000000000000 15.999 > 73 74 O 0.63389137775682 0.45352821381834 0.00000000000000 15.999 > 73 75 O 0.13389137775682 0.45352821381834 0.25000000000000 15.999 > 73 76 O 0.63389137775682 0.45352821381834 0.25000000000000 15.999 > 73 77 O 0.13389137775682 0.45352821381834 0.50000000000000 15.999 > 73 78 O 0.63389137775682 0.45352821381834 0.50000000000000 15.999 > 73 79 O 0.13389137775682 0.45352821381834 0.75000000000000 15.999 > 73 80 O 0.63389137775682 0.45352821381834 0.75000000000000 15.999 > 73 81 O 0.11610862224318 0.95352821381834 0.00000000000000 15.999 > 81 82 O 0.61610862224318 0.95352821381834 0.00000000000000 15.999 > 81 83 O 0.11610862224318 0.95352821381834 0.25000000000000 15.999 > 81 84 O 0.61610862224318 0.95352821381834 0.25000000000000 15.999 > 81 85 O 0.11610862224318 0.95352821381834 0.50000000000000 15.999 > 81 86 O 0.61610862224318 0.95352821381834 0.50000000000000 15.999 > 81 87 O 0.11610862224318 0.95352821381834 0.75000000000000 15.999 > 81 88 O 0.61610862224318 0.95352821381834 0.75000000000000 15.999 > 81 89 O 0.48405039507304 0.34485781346495 0.00000000000000 15.999 > 89 90 O 0.98405039507304 0.34485781346495 0.00000000000000 15.999 > 89 91 O 0.48405039507304 0.34485781346495 0.25000000000000 15.999 > 89 92 O 0.98405039507304 0.34485781346495 0.25000000000000 15.999 > 89 93 O 0.48405039507304 0.34485781346495 0.50000000000000 15.999 > 89 94 O 0.98405039507304 0.34485781346495 0.50000000000000 15.999 > 89 95 O 0.48405039507304 0.34485781346495 0.75000000000000 15.999 > 89 96 O 0.98405039507304 0.34485781346495 0.75000000000000 15.999 > 89 97 O 0.01594960492696 0.65514218653505 0.00000000000000 15.999 > 97 98 O 0.51594960492696 0.65514218653505 0.00000000000000 15.999 > 97 99 O 0.01594960492696 0.65514218653505 0.25000000000000 15.999 > 97 100 O 0.51594960492696 0.65514218653505 0.25000000000000 15.999 > 97 101 O 0.01594960492696 0.65514218653505 0.50000000000000 15.999 > 97 102 O 0.51594960492696 0.65514218653505 0.50000000000000 15.999 > 97 103 O 0.01594960492696 0.65514218653505 0.75000000000000 15.999 > 97 104 O 0.51594960492696 0.65514218653505 0.75000000000000 15.999 > 97 105 O 0.26594960492696 0.84485781346495 0.00000000000000 15.999 > 105 106 O 0.76594960492696 0.84485781346495 0.00000000000000 15.999 > 105 107 O 0.26594960492696 0.84485781346495 0.25000000000000 15.999 > 105 108 O 0.76594960492696 0.84485781346495 0.25000000000000 15.999 > 105 109 O 0.26594960492696 0.84485781346495 0.50000000000000 15.999 > 105 110 O 0.76594960492696 0.84485781346495 0.50000000000000 15.999 > 105 111 O 0.26594960492696 0.84485781346495 0.75000000000000 15.999 > 105 112 O 0.76594960492696 0.84485781346495 0.75000000000000 15.999 > 105 113 O 0.36610862224318 0.54647178618166 0.00000000000000 15.999 > 113 114 O 0.86610862224318 0.54647178618166 0.00000000000000 15.999 > 113 115 O 0.36610862224318 0.54647178618166 0.25000000000000 15.999 > 113 116 O 0.86610862224318 0.54647178618166 0.25000000000000 15.999 > 113 117 O 0.36610862224318 0.54647178618166 0.50000000000000 15.999 > 113 118 O 0.86610862224318 0.54647178618166 0.50000000000000 15.999 > 113 119 O 0.36610862224318 0.54647178618166 0.75000000000000 15.999 > 113 120 O 0.86610862224318 0.54647178618166 0.75000000000000 15.999 > 113 121 O 0.38389137775682 0.04647178618166 0.00000000000000 15.999 > 121 122 O 0.88389137775682 0.04647178618166 0.00000000000000 15.999 > 121 123 O 0.38389137775682 0.04647178618166 0.25000000000000 15.999 > 121 124 O 0.88389137775682 0.04647178618166 0.25000000000000 15.999 > 121 125 O 0.38389137775682 0.04647178618166 0.50000000000000 15.999 > 121 126 O 0.88389137775682 0.04647178618166 0.50000000000000 15.999 > 121 127 O 0.38389137775682 0.04647178618166 0.75000000000000 15.999 > 121 128 O 0.88389137775682 0.04647178618166 0.75000000000000 15.999 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7130685 0.0000000 0.0000000 0.0000000 2.6016468 0.0000000 0.0000000 0.0000000 2.1664265 -------------------------- Born effective charges -------------------------- 1 Rb 1.3108541 -0.0295550 0.0000000 -0.1429805 1.2553616 0.0000000 0.0000000 0.0000000 1.2985715 2 Rb 1.3108541 0.0295550 0.0000000 0.1429805 1.2553616 0.0000000 0.0000000 0.0000000 1.2985715 3 Rb 1.3108541 -0.0295550 0.0000000 -0.1429805 1.2553616 0.0000000 0.0000000 0.0000000 1.2985715 4 Rb 1.3108541 0.0295550 0.0000000 0.1429805 1.2553616 0.0000000 0.0000000 0.0000000 1.2985715 5 C 2.1987205 0.6441396 0.0000000 0.7093033 1.6338173 0.0000000 0.0000000 0.0000000 0.2646345 6 C 2.1987205 -0.6441396 0.0000000 -0.7093033 1.6338173 0.0000000 0.0000000 0.0000000 0.2646345 7 C 2.1987205 0.6441396 0.0000000 0.7093033 1.6338173 0.0000000 0.0000000 0.0000000 0.2646345 8 C 2.1987205 -0.6441396 0.0000000 -0.7093033 1.6338173 0.0000000 0.0000000 0.0000000 0.2646345 9 O -1.3170945 0.6781410 0.0000000 0.3223967 -1.8854318 0.0000000 0.0000000 0.0000000 -0.7912618 10 O -2.1924802 0.0774570 0.0000000 -0.3824860 -1.0037471 0.0000000 0.0000000 0.0000000 -0.7719442 11 O -2.1924802 -0.0774570 0.0000000 0.3824860 -1.0037471 0.0000000 0.0000000 0.0000000 -0.7719442 12 O -1.3170945 -0.6781410 0.0000000 -0.3223967 -1.8854318 0.0000000 0.0000000 0.0000000 -0.7912618 13 O -1.3170945 -0.6781410 0.0000000 -0.3223967 -1.8854318 0.0000000 0.0000000 0.0000000 -0.7912618 14 O -1.3170945 0.6781410 0.0000000 0.3223967 -1.8854318 0.0000000 0.0000000 0.0000000 -0.7912618 15 O -2.1924802 0.0774570 0.0000000 -0.3824860 -1.0037471 0.0000000 0.0000000 0.0000000 -0.7719442 16 O -2.1924802 -0.0774570 0.0000000 0.3824860 -1.0037471 0.0000000 0.0000000 0.0000000 -0.7719442 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) 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 ... [ 8 4 14 ] 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: 0.65, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 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 1.132 ( 0.000 0.000 0.000) 0.000 1.154 ( 0.000 0.000 0.000) 0.000 1.734 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 9.639 ( 0.000 0.000 0.000) 0.000 9.907 ( 0.000 0.000 0.000) 0.000 13.201 ( 0.000 0.000 0.000) 0.000 13.294 ( 0.000 0.000 0.000) 0.000 14.108 ( 0.000 0.000 0.000) 0.000 14.115 ( 0.000 0.000 0.000) 0.000 16.348 ( 0.000 0.000 0.000) 0.000 16.464 ( 0.000 0.000 0.000) 0.000 21.997 ( 0.000 0.000 0.000) 0.000 22.189 ( 0.000 0.000 0.000) 0.000 25.069 ( 0.000 0.000 0.000) 0.000 25.071 ( 0.000 0.000 0.000) 0.000 25.300 ( 0.000 0.000 0.000) 0.000 25.331 ( 0.000 0.000 0.000) 0.000 39.097 ( 0.000 0.000 0.000) 0.000 39.515 ( 0.000 0.000 0.000) 0.000 41.704 ( 0.000 0.000 0.000) 0.000 41.716 ( 0.000 0.000 0.000) 0.000 48.132 ( 0.000 0.000 0.000) 0.000 48.348 ( 0.000 0.000 0.000) 0.000 48.892 ( 0.000 0.000 0.000) 0.000 48.921 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( 12.484 0.000 0.000) 12.484 0.551 ( 26.602 0.000 0.000) 26.602 0.839 ( 41.198 0.000 0.000) 41.198 1.142 ( -1.254 0.000 0.000) 1.254 1.154 ( 2.116 0.000 0.000) 2.116 1.702 ( -3.123 0.000 0.000) 3.123 1.820 ( -9.445 0.000 0.000) 9.445 1.918 ( 8.056 0.000 0.000) 8.056 2.491 ( 12.895 0.000 0.000) 12.895 2.516 ( 0.203 0.000 0.000) 0.203 2.520 ( -2.261 0.000 0.000) 2.261 2.550 ( -3.453 0.000 0.000) 3.453 2.828 ( 2.269 0.000 0.000) 2.269 2.872 ( -2.619 0.000 0.000) 2.619 2.924 ( 0.386 0.000 0.000) 0.386 3.073 ( 1.887 0.000 0.000) 1.887 3.150 ( 2.238 0.000 0.000) 2.238 3.372 ( 1.451 0.000 0.000) 1.451 3.515 ( -1.284 0.000 0.000) 1.284 3.547 ( -2.212 0.000 0.000) 2.212 3.613 ( -0.494 0.000 0.000) 0.494 3.633 ( -3.543 0.000 0.000) 3.543 3.804 ( -0.967 0.000 0.000) 0.967 3.992 ( 6.452 0.000 0.000) 6.452 4.178 ( -8.143 0.000 0.000) 8.143 5.358 ( -5.132 0.000 0.000) 5.132 9.621 ( -1.627 0.000 0.000) 1.627 9.883 ( -2.376 0.000 0.000) 2.376 13.226 ( 2.302 0.000 0.000) 2.302 13.299 ( 0.434 0.000 0.000) 0.434 14.110 ( 0.166 0.000 0.000) 0.166 14.116 ( 0.119 0.000 0.000) 0.119 16.355 ( 0.535 0.000 0.000) 0.535 16.421 ( -3.818 0.000 0.000) 3.818 22.008 ( 1.085 0.000 0.000) 1.085 22.280 ( -2.205 0.000 0.000) 2.205 25.070 ( 0.018 0.000 0.000) 0.018 25.071 ( 0.009 0.000 0.000) 0.009 25.309 ( 0.719 0.000 0.000) 0.719 25.320 ( -0.985 0.000 0.000) 0.985 39.123 ( 2.459 0.000 0.000) 2.459 39.693 ( -4.685 0.000 0.000) 4.685 41.705 ( 0.026 0.000 0.000) 0.026 41.715 ( -0.051 0.000 0.000) 0.051 48.157 ( 2.423 0.000 0.000) 2.423 48.327 ( -1.289 0.000 0.000) 1.289 49.065 ( 15.801 0.000 0.000) 15.801 50.765 ( -3.782 0.000 0.000) 3.782 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 11.923 0.000 0.000) 11.923 1.031 ( 21.138 0.000 0.000) 21.138 1.103 ( -2.764 0.000 0.000) 2.764 1.212 ( 3.623 0.000 0.000) 3.623 1.569 ( 20.603 0.000 0.000) 20.603 1.617 ( -5.227 0.000 0.000) 5.227 1.693 ( 8.081 0.000 0.000) 8.081 1.994 ( 0.220 0.000 0.000) 0.220 2.464 ( -3.068 0.000 0.000) 3.068 2.475 ( -3.744 0.000 0.000) 3.744 2.533 ( 0.664 0.000 0.000) 0.664 2.672 ( -0.051 0.000 0.000) 0.051 2.857 ( 5.445 0.000 0.000) 5.445 2.874 ( 2.109 0.000 0.000) 2.109 2.932 ( 0.326 0.000 0.000) 0.326 3.210 ( 3.618 0.000 0.000) 3.618 3.213 ( 11.106 0.000 0.000) 11.106 3.411 ( 2.396 0.000 0.000) 2.396 3.479 ( -2.253 0.000 0.000) 2.253 3.488 ( -3.044 0.000 0.000) 3.044 3.543 ( -4.532 0.000 0.000) 4.532 3.596 ( -1.235 0.000 0.000) 1.235 3.777 ( -2.027 0.000 0.000) 2.027 3.972 ( -11.755 0.000 0.000) 11.755 4.137 ( 8.122 0.000 0.000) 8.122 5.209 ( -9.905 0.000 0.000) 9.905 9.592 ( -0.911 0.000 0.000) 0.911 9.817 ( -4.076 0.000 0.000) 4.076 13.278 ( 2.605 0.000 0.000) 2.605 13.311 ( 0.731 0.000 0.000) 0.731 14.114 ( 0.246 0.000 0.000) 0.246 14.119 ( 0.157 0.000 0.000) 0.157 16.343 ( -3.355 0.000 0.000) 3.355 16.362 ( -0.044 0.000 0.000) 0.044 22.037 ( 1.731 0.000 0.000) 1.731 22.225 ( -3.041 0.000 0.000) 3.041 25.070 ( 0.028 0.000 0.000) 0.028 25.071 ( 0.011 0.000 0.000) 0.011 25.300 ( -0.883 0.000 0.000) 0.883 25.320 ( 0.269 0.000 0.000) 0.269 39.184 ( 3.464 0.000 0.000) 3.464 39.575 ( -6.660 0.000 0.000) 6.660 41.705 ( 0.039 0.000 0.000) 0.039 41.714 ( -0.126 0.000 0.000) 0.126 48.218 ( 3.432 0.000 0.000) 3.432 48.316 ( 0.198 0.000 0.000) 0.198 49.446 ( 21.234 0.000 0.000) 21.234 50.656 ( -7.278 0.000 0.000) 7.278 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 10.487 0.000 0.000) 10.487 1.028 ( -5.013 0.000 0.000) 5.013 1.294 ( 4.571 0.000 0.000) 4.571 1.353 ( 10.756 0.000 0.000) 10.756 1.505 ( -5.883 0.000 0.000) 5.883 1.544 ( -3.464 0.000 0.000) 3.464 2.039 ( 6.610 0.000 0.000) 6.610 2.199 ( 21.357 0.000 0.000) 21.357 2.410 ( -2.114 0.000 0.000) 2.114 2.412 ( -2.322 0.000 0.000) 2.322 2.523 ( -1.568 0.000 0.000) 1.568 2.526 ( -11.574 0.000 0.000) 11.574 2.908 ( 1.358 0.000 0.000) 1.358 2.935 ( -0.064 0.000 0.000) 0.064 3.031 ( 9.796 0.000 0.000) 9.796 3.286 ( 3.941 0.000 0.000) 3.941 3.402 ( 6.797 0.000 0.000) 6.797 3.423 ( -4.836 0.000 0.000) 4.836 3.427 ( -2.989 0.000 0.000) 2.989 3.463 ( 2.763 0.000 0.000) 2.763 3.509 ( 1.907 0.000 0.000) 1.907 3.564 ( -2.040 0.000 0.000) 2.040 3.719 ( -3.955 0.000 0.000) 3.955 3.742 ( -10.855 0.000 0.000) 10.855 4.345 ( 13.693 0.000 0.000) 13.693 4.969 ( -14.146 0.000 0.000) 14.146 9.596 ( 1.406 0.000 0.000) 1.406 9.729 ( -4.551 0.000 0.000) 4.551 13.319 ( 1.396 0.000 0.000) 1.396 13.325 ( 0.663 0.000 0.000) 0.663 14.119 ( 0.203 0.000 0.000) 0.203 14.122 ( 0.083 0.000 0.000) 0.083 16.305 ( -0.403 0.000 0.000) 0.403 16.349 ( -1.247 0.000 0.000) 1.247 22.074 ( 2.008 0.000 0.000) 2.008 22.167 ( -2.774 0.000 0.000) 2.774 25.071 ( 0.025 0.000 0.000) 0.025 25.071 ( 0.002 0.000 0.000) 0.002 25.291 ( 0.049 0.000 0.000) 0.049 25.316 ( -0.625 0.000 0.000) 0.625 39.256 ( 3.832 0.000 0.000) 3.832 39.446 ( -6.091 0.000 0.000) 6.091 41.706 ( 0.060 0.000 0.000) 0.060 41.711 ( -0.157 0.000 0.000) 0.157 48.281 ( 2.715 0.000 0.000) 2.715 48.325 ( 0.315 0.000 0.000) 0.315 49.861 ( 19.827 0.000 0.000) 19.827 50.475 ( -11.051 0.000 0.000) 11.051 ======================= Grid point 4 (5/120) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -7.954 0.000 0.000) 7.954 0.900 ( 7.954 0.000 0.000) 7.954 1.392 ( -5.385 0.000 0.000) 5.385 1.392 ( 5.385 0.000 0.000) 5.385 1.480 ( -3.622 0.000 0.000) 3.622 1.480 ( 3.622 0.000 0.000) 3.622 2.256 ( -13.583 0.000 0.000) 13.583 2.256 ( 13.583 0.000 0.000) 13.583 2.388 ( -0.039 0.000 0.000) 0.039 2.388 ( 0.039 0.000 0.000) 0.039 2.461 ( -5.811 0.000 0.000) 5.811 2.461 ( 5.811 0.000 0.000) 5.811 2.928 ( -0.642 0.000 0.000) 0.642 2.928 ( 0.642 0.000 0.000) 0.642 3.252 ( -11.597 0.000 0.000) 11.597 3.252 ( 11.597 0.000 0.000) 11.597 3.361 ( -3.595 0.000 0.000) 3.595 3.361 ( 3.595 0.000 0.000) 3.595 3.517 ( -2.618 0.000 0.000) 2.618 3.517 ( 2.618 0.000 0.000) 2.618 3.529 ( -6.003 0.000 0.000) 6.003 3.529 ( 6.003 0.000 0.000) 6.003 3.624 ( -3.993 0.000 0.000) 3.993 3.624 ( 3.993 0.000 0.000) 3.993 4.659 ( -16.688 0.000 0.000) 16.688 4.659 ( 16.688 0.000 0.000) 16.688 9.646 ( -3.569 0.000 0.000) 3.569 9.646 ( 3.569 0.000 0.000) 3.569 13.333 ( -0.054 0.000 0.000) 0.054 13.333 ( 0.054 0.000 0.000) 0.054 14.122 ( -0.066 0.000 0.000) 0.066 14.122 ( 0.066 0.000 0.000) 0.066 16.319 ( -1.478 0.000 0.000) 1.478 16.319 ( 1.478 0.000 0.000) 1.478 22.117 ( -2.295 0.000 0.000) 2.295 22.117 ( 2.295 0.000 0.000) 2.295 25.071 ( -0.013 0.000 0.000) 0.013 25.071 ( 0.013 0.000 0.000) 0.013 25.301 ( -0.797 0.000 0.000) 0.797 25.301 ( 0.797 0.000 0.000) 0.797 39.339 ( -4.722 0.000 0.000) 4.722 39.339 ( 4.722 0.000 0.000) 4.722 41.708 ( -0.115 0.000 0.000) 0.115 41.708 ( 0.115 0.000 0.000) 0.115 48.319 ( -1.040 0.000 0.000) 1.040 48.319 ( 1.040 0.000 0.000) 1.040 50.213 ( -15.535 0.000 0.000) 15.535 50.213 ( 15.535 0.000 0.000) 15.535 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( 0.000 13.315 0.000) 13.315 0.501 ( 0.000 22.655 0.000) 22.655 0.874 ( 0.000 -12.753 0.000) 12.753 0.934 ( 0.000 39.766 0.000) 39.766 1.377 ( 0.000 9.619 0.000) 9.619 1.480 ( 0.000 -18.549 0.000) 18.549 1.689 ( 0.000 -4.009 0.000) 4.009 2.200 ( 0.000 -7.662 0.000) 7.662 2.218 ( 0.000 12.159 0.000) 12.159 2.504 ( 0.000 -1.171 0.000) 1.171 2.547 ( 0.000 0.374 0.000) 0.374 2.580 ( 0.000 -0.782 0.000) 0.782 2.823 ( 0.000 1.844 0.000) 1.844 2.841 ( 0.000 -4.742 0.000) 4.742 2.905 ( 0.000 -12.760 0.000) 12.760 2.908 ( 0.000 -1.138 0.000) 1.138 3.154 ( 0.000 2.390 0.000) 2.390 3.311 ( 0.000 -3.510 0.000) 3.510 3.553 ( 0.000 1.772 0.000) 1.772 3.611 ( 0.000 -0.620 0.000) 0.620 3.633 ( 0.000 -5.393 0.000) 5.393 3.638 ( 0.000 -2.285 0.000) 2.285 3.884 ( 0.000 1.805 0.000) 1.805 3.888 ( 0.000 1.587 0.000) 1.587 4.543 ( 0.000 16.621 0.000) 16.621 5.124 ( 0.000 -7.417 0.000) 7.417 9.678 ( 0.000 3.313 0.000) 3.313 9.867 ( 0.000 -3.435 0.000) 3.435 13.215 ( 0.000 1.228 0.000) 1.228 13.281 ( 0.000 -1.134 0.000) 1.134 14.109 ( 0.000 0.080 0.000) 0.080 14.114 ( 0.000 -0.083 0.000) 0.083 16.365 ( 0.000 1.439 0.000) 1.439 16.447 ( 0.000 -1.472 0.000) 1.472 22.198 ( 0.000 0.771 0.000) 0.771 22.244 ( 0.000 -0.873 0.000) 0.873 25.070 ( 0.000 0.016 0.000) 0.016 25.070 ( 0.000 -0.016 0.000) 0.016 25.306 ( 0.000 0.449 0.000) 0.449 25.328 ( 0.000 -0.341 0.000) 0.341 39.523 ( 0.000 0.662 0.000) 0.662 39.560 ( 0.000 -0.666 0.000) 0.666 41.706 ( 0.000 0.145 0.000) 0.145 41.714 ( 0.000 -0.144 0.000) 0.144 48.206 ( 0.000 6.584 0.000) 6.584 48.661 ( 0.000 -11.837 0.000) 11.837 49.093 ( 0.000 6.778 0.000) 6.778 49.263 ( 0.000 -1.506 0.000) 1.506 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 7.966 10.038 0.000) 12.814 0.669 ( 15.363 13.659 0.000) 20.557 0.897 ( 2.174 -11.874 0.000) 12.071 1.257 ( 25.816 24.834 0.000) 35.822 1.366 ( -1.076 8.989 0.000) 9.053 1.520 ( 2.292 -13.825 0.000) 14.014 1.659 ( -2.918 -3.811 0.000) 4.800 2.098 ( -0.091 7.636 0.000) 7.636 2.388 ( 4.287 -6.817 0.000) 8.052 2.523 ( -2.297 0.322 0.000) 2.320 2.545 ( -3.080 -0.392 0.000) 3.105 2.554 ( 7.172 -1.154 0.000) 7.265 2.804 ( -2.709 -2.698 0.000) 3.823 2.845 ( 1.885 1.431 0.000) 2.367 2.915 ( 0.645 -0.915 0.000) 1.119 2.934 ( 3.989 -10.532 0.000) 11.262 3.174 ( 1.965 2.174 0.000) 2.930 3.325 ( 1.270 -3.520 0.000) 3.742 3.530 ( -3.586 -0.947 0.000) 3.709 3.543 ( -0.934 1.945 0.000) 2.157 3.606 ( -0.541 -0.674 0.000) 0.864 3.620 ( -6.156 -6.479 0.000) 8.937 3.890 ( 0.742 8.400 0.000) 8.433 3.963 ( 4.783 1.031 0.000) 4.893 4.475 ( -6.172 17.101 0.000) 18.181 5.142 ( -1.110 -13.445 0.000) 13.490 9.660 ( -1.593 3.317 0.000) 3.680 9.846 ( -2.021 -3.263 0.000) 3.838 13.238 ( 2.079 1.106 0.000) 2.354 13.296 ( 0.957 -0.713 0.000) 1.193 14.111 ( 0.159 0.074 0.000) 0.175 14.115 ( 0.126 -0.077 0.000) 0.147 16.331 ( -1.661 0.074 0.000) 1.663 16.407 ( -3.477 -1.600 0.000) 3.827 22.101 ( -3.973 4.714 0.000) 6.165 22.245 ( -1.763 -2.485 0.000) 3.047 25.070 ( 0.017 0.015 0.000) 0.023 25.071 ( 0.011 -0.015 0.000) 0.018 25.313 ( 0.571 0.539 0.000) 0.785 25.333 ( -0.031 0.214 0.000) 0.216 39.323 ( -6.434 10.315 0.000) 12.157 39.620 ( -2.188 -5.097 0.000) 5.546 41.706 ( 0.017 0.138 0.000) 0.139 41.714 ( -0.037 -0.132 0.000) 0.137 48.219 ( 1.565 5.377 0.000) 5.600 48.418 ( -7.839 2.191 0.000) 8.140 49.169 ( 14.949 9.369 0.000) 17.642 50.023 ( 30.183 -36.334 0.000) 47.235 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 9.962 6.340 0.000) 11.809 0.949 ( 2.628 -9.180 0.000) 9.549 1.015 ( 17.684 2.230 0.000) 17.824 1.340 ( -1.371 6.916 0.000) 7.051 1.485 ( 0.970 -13.610 0.000) 13.644 1.580 ( -4.911 -3.310 0.000) 5.922 1.825 ( 19.463 16.692 0.000) 25.641 2.118 ( 5.012 10.417 0.000) 11.560 2.395 ( -3.223 -10.125 0.000) 10.626 2.467 ( -3.086 0.250 0.000) 3.096 2.476 ( -3.565 0.034 0.000) 3.565 2.744 ( -1.845 4.120 0.000) 4.514 2.776 ( 11.674 -5.695 0.000) 12.989 2.885 ( 1.924 0.960 0.000) 2.150 2.929 ( 0.674 -0.392 0.000) 0.780 3.089 ( 10.864 -11.940 0.000) 16.143 3.226 ( 3.155 1.566 0.000) 3.522 3.356 ( 1.661 -3.537 0.000) 3.908 3.479 ( -5.180 -2.105 0.000) 5.591 3.489 ( -1.785 -2.326 0.000) 2.932 3.520 ( -1.299 2.325 0.000) 2.663 3.588 ( -1.217 -0.721 0.000) 1.414 3.863 ( -3.726 9.349 0.000) 10.064 4.024 ( -0.930 2.046 0.000) 2.247 4.354 ( -3.482 15.394 0.000) 15.783 5.053 ( -7.494 -12.732 0.000) 14.774 9.629 ( -1.091 3.186 0.000) 3.367 9.792 ( -3.324 -2.395 0.000) 4.097 13.284 ( 2.219 0.602 0.000) 2.300 13.313 ( 0.807 -0.075 0.000) 0.811 14.115 ( 0.233 0.058 0.000) 0.240 14.118 ( 0.170 -0.059 0.000) 0.180 16.307 ( -1.271 -1.594 0.000) 2.038 16.346 ( -1.875 -1.705 0.000) 2.534 22.067 ( -0.114 2.447 0.000) 2.449 22.196 ( -2.743 -2.438 0.000) 3.670 25.070 ( 0.026 0.012 0.000) 0.028 25.071 ( 0.013 -0.011 0.000) 0.017 25.315 ( -0.448 1.019 0.000) 1.114 25.331 ( -0.060 0.615 0.000) 0.618 39.272 ( -0.058 6.612 0.000) 6.613 39.532 ( -5.570 -3.749 0.000) 6.714 41.707 ( 0.018 0.112 0.000) 0.114 41.712 ( -0.099 -0.098 0.000) 0.140 48.266 ( 2.915 3.850 0.000) 4.829 48.351 ( -0.659 1.848 0.000) 1.962 49.530 ( 19.530 8.085 0.000) 21.137 50.330 ( 5.051 -23.945 0.000) 24.472 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 9.088 3.775 0.000) 9.841 0.977 ( -0.553 -4.185 0.000) 4.222 1.319 ( 12.189 -0.722 0.000) 12.210 1.328 ( 0.680 2.797 0.000) 2.878 1.474 ( -5.438 -2.607 0.000) 6.031 1.528 ( 2.408 -4.095 0.000) 4.750 1.916 ( 0.329 -2.213 0.000) 2.237 2.259 ( -9.955 -13.155 0.000) 16.497 2.413 ( -2.097 0.228 0.000) 2.109 2.416 ( -2.292 0.194 0.000) 2.300 2.430 ( 15.774 13.631 0.000) 20.848 2.682 ( -3.297 4.927 0.000) 5.928 2.917 ( 1.285 0.724 0.000) 1.475 2.938 ( 0.192 0.144 0.000) 0.240 3.018 ( 12.504 -0.394 0.000) 12.510 3.282 ( 5.698 -11.676 0.000) 12.992 3.292 ( 3.331 0.667 0.000) 3.397 3.377 ( 0.055 -2.837 0.000) 2.838 3.448 ( 3.713 2.137 0.000) 4.284 3.498 ( 2.134 -0.900 0.000) 2.316 3.503 ( -0.071 2.020 0.000) 2.021 3.558 ( -1.795 -0.526 0.000) 1.871 3.742 ( -8.193 7.643 0.000) 11.204 3.890 ( -10.531 4.764 0.000) 11.558 4.406 ( 7.880 6.107 0.000) 9.969 4.862 ( -11.432 -9.124 0.000) 14.627 9.625 ( 0.764 2.415 0.000) 2.533 9.722 ( -3.544 -0.874 0.000) 3.650 13.318 ( 1.171 0.069 0.000) 1.173 13.327 ( 0.553 -0.010 0.000) 0.553 14.119 ( 0.186 0.031 0.000) 0.188 14.121 ( 0.100 -0.033 0.000) 0.106 16.289 ( -0.061 -0.910 0.000) 0.912 16.324 ( -0.937 -1.882 0.000) 2.103 22.079 ( 1.109 0.589 0.000) 1.256 22.145 ( -2.243 -1.717 0.000) 2.825 25.071 ( 0.022 0.006 0.000) 0.023 25.071 ( 0.005 -0.006 0.000) 0.008 25.307 ( -0.117 1.177 0.000) 1.182 25.325 ( -0.566 0.529 0.000) 0.774 39.292 ( 1.840 2.935 0.000) 3.464 39.424 ( -4.940 -1.935 0.000) 5.305 41.707 ( 0.030 0.067 0.000) 0.074 41.710 ( -0.123 -0.046 0.000) 0.131 48.321 ( 2.349 2.991 0.000) 3.803 48.354 ( 0.407 1.983 0.000) 2.024 49.894 ( 16.467 3.572 0.000) 16.850 50.323 ( -4.613 -12.064 0.000) 12.916 ======================= Grid point 13 (10/120) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -5.877 0.895 0.000) 5.944 0.912 ( 5.877 0.895 0.000) 5.944 1.377 ( -4.067 -1.128 0.000) 4.220 1.377 ( 4.067 -1.128 0.000) 4.220 1.496 ( -5.890 1.614 0.000) 6.108 1.496 ( 5.890 1.614 0.000) 6.108 2.036 ( -10.915 -12.271 0.000) 16.423 2.036 ( 10.915 -12.271 0.000) 16.423 2.392 ( -0.065 0.225 0.000) 0.234 2.392 ( 0.065 0.225 0.000) 0.234 2.611 ( -4.537 7.086 0.000) 8.414 2.611 ( 4.537 7.086 0.000) 8.414 2.935 ( -0.524 0.511 0.000) 0.732 2.935 ( 0.524 0.511 0.000) 0.732 3.262 ( -8.684 -0.267 0.000) 8.689 3.262 ( 8.684 -0.267 0.000) 8.689 3.351 ( -2.429 -0.718 0.000) 2.533 3.351 ( 2.429 -0.718 0.000) 2.533 3.522 ( -1.702 0.316 0.000) 1.731 3.522 ( 1.702 0.316 0.000) 1.731 3.525 ( -4.952 1.531 0.000) 5.183 3.525 ( 4.952 1.531 0.000) 5.183 3.685 ( -8.387 3.357 0.000) 9.034 3.685 ( 8.387 3.357 0.000) 9.034 4.619 ( -12.446 -2.975 0.000) 12.797 4.619 ( 12.446 -2.975 0.000) 12.797 9.659 ( -2.581 0.911 0.000) 2.737 9.659 ( 2.581 0.911 0.000) 2.737 13.331 ( -0.219 -0.100 0.000) 0.240 13.331 ( 0.219 -0.100 0.000) 0.240 14.122 ( -0.047 -0.001 0.000) 0.047 14.122 ( 0.047 -0.001 0.000) 0.047 16.303 ( -1.132 -1.158 0.000) 1.619 16.303 ( 1.132 -1.158 0.000) 1.619 22.107 ( -1.651 -0.678 0.000) 1.785 22.107 ( 1.651 -0.678 0.000) 1.785 25.071 ( -0.009 0.000 0.000) 0.009 25.071 ( 0.009 0.000 0.000) 0.009 25.312 ( -0.548 0.817 0.000) 0.984 25.312 ( 0.548 0.817 0.000) 0.984 39.342 ( -3.316 0.231 0.000) 3.325 39.342 ( 3.316 0.231 0.000) 3.325 41.708 ( -0.080 0.012 0.000) 0.081 41.708 ( 0.080 0.012 0.000) 0.081 48.352 ( -0.758 2.422 0.000) 2.538 48.352 ( 0.758 2.422 0.000) 2.538 50.167 ( -10.966 -3.319 0.000) 11.457 50.167 ( 10.966 -3.319 0.000) 11.457 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 -13.284 0.000) 13.284 0.586 ( 0.000 13.284 0.000) 13.284 0.992 ( 0.000 -21.499 0.000) 21.499 0.992 ( 0.000 21.499 0.000) 21.499 1.564 ( 0.000 -7.198 0.000) 7.198 1.564 ( 0.000 7.198 0.000) 7.198 1.773 ( 0.000 -30.387 0.000) 30.387 1.773 ( 0.000 30.387 0.000) 30.387 2.433 ( 0.000 -6.824 0.000) 6.824 2.433 ( 0.000 6.824 0.000) 6.824 2.561 ( 0.000 -0.823 0.000) 0.823 2.561 ( 0.000 0.823 0.000) 0.823 2.751 ( 0.000 -1.010 0.000) 1.010 2.751 ( 0.000 1.010 0.000) 1.010 2.870 ( 0.000 -2.142 0.000) 2.142 2.870 ( 0.000 2.142 0.000) 2.142 3.226 ( 0.000 -3.888 0.000) 3.888 3.226 ( 0.000 3.888 0.000) 3.888 3.589 ( 0.000 -1.350 0.000) 1.350 3.589 ( 0.000 1.350 0.000) 1.350 3.595 ( 0.000 -0.932 0.000) 0.932 3.595 ( 0.000 0.932 0.000) 0.932 3.907 ( 0.000 -0.100 0.000) 0.100 3.907 ( 0.000 0.100 0.000) 0.100 4.888 ( 0.000 -13.687 0.000) 13.687 4.888 ( 0.000 13.687 0.000) 13.687 9.772 ( 0.000 -4.771 0.000) 4.771 9.772 ( 0.000 4.771 0.000) 4.771 13.249 ( 0.000 -1.666 0.000) 1.666 13.249 ( 0.000 1.666 0.000) 1.666 14.112 ( 0.000 -0.115 0.000) 0.115 14.112 ( 0.000 0.115 0.000) 0.115 16.406 ( 0.000 -2.058 0.000) 2.058 16.406 ( 0.000 2.058 0.000) 2.058 22.220 ( 0.000 -1.161 0.000) 1.161 22.220 ( 0.000 1.161 0.000) 1.161 25.070 ( 0.000 -0.022 0.000) 0.022 25.070 ( 0.000 0.022 0.000) 0.022 25.317 ( 0.000 -0.557 0.000) 0.557 25.317 ( 0.000 0.557 0.000) 0.557 39.542 ( 0.000 -0.939 0.000) 0.939 39.542 ( 0.000 0.939 0.000) 0.939 41.710 ( 0.000 -0.204 0.000) 0.204 41.710 ( 0.000 0.204 0.000) 0.204 48.405 ( 0.000 -10.886 0.000) 10.886 48.405 ( 0.000 10.886 0.000) 10.886 49.207 ( 0.000 -3.719 0.000) 3.719 49.207 ( 0.000 3.719 0.000) 3.719 ======================= Grid point 20 (12/120) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 4.369 -11.992 0.000) 12.764 0.632 ( 4.369 11.992 0.000) 12.764 1.055 ( 4.975 -19.311 0.000) 19.942 1.055 ( 4.975 19.311 0.000) 19.942 1.541 ( -2.253 -6.773 0.000) 7.138 1.541 ( -2.253 6.773 0.000) 7.138 1.933 ( 15.101 -24.181 0.000) 28.509 1.933 ( 15.101 24.181 0.000) 28.509 2.401 ( -2.464 -9.351 0.000) 9.671 2.401 ( -2.464 9.351 0.000) 9.671 2.534 ( -2.528 -0.591 0.000) 2.597 2.534 ( -2.528 0.591 0.000) 2.597 2.795 ( 3.624 -2.315 0.000) 4.301 2.795 ( 3.624 2.315 0.000) 4.301 2.883 ( 1.208 -1.802 0.000) 2.170 2.883 ( 1.208 1.802 0.000) 2.170 3.241 ( 1.484 -3.707 0.000) 3.993 3.241 ( 1.484 3.707 0.000) 3.993 3.533 ( -4.727 -1.704 0.000) 5.025 3.533 ( -4.727 1.704 0.000) 5.025 3.582 ( -0.678 -1.450 0.000) 1.601 3.582 ( -0.678 1.450 0.000) 1.601 3.980 ( 4.878 -0.674 0.000) 4.925 3.980 ( 4.878 0.674 0.000) 4.925 4.833 ( -5.069 -15.034 0.000) 15.866 4.833 ( -5.069 15.034 0.000) 15.866 9.753 ( -1.665 -4.724 0.000) 5.009 9.753 ( -1.665 4.724 0.000) 5.009 13.269 ( 1.683 -1.525 0.000) 2.271 13.269 ( 1.683 1.525 0.000) 2.271 14.113 ( 0.143 -0.107 0.000) 0.178 14.113 ( 0.143 0.107 0.000) 0.178 16.361 ( -3.459 -2.191 0.000) 4.095 16.361 ( -3.459 2.191 0.000) 4.095 22.184 ( -2.948 -3.076 0.000) 4.260 22.184 ( -2.948 3.076 0.000) 4.260 25.070 ( 0.014 -0.021 0.000) 0.025 25.070 ( 0.014 0.021 0.000) 0.025 25.327 ( 0.658 -0.616 0.000) 0.901 25.327 ( 0.658 0.616 0.000) 0.901 39.497 ( -3.789 -6.214 0.000) 7.278 39.497 ( -3.789 6.214 0.000) 7.278 41.710 ( -0.007 -0.192 0.000) 0.192 41.710 ( -0.007 0.192 0.000) 0.192 48.358 ( -2.301 -6.081 0.000) 6.502 48.358 ( -2.301 6.081 0.000) 6.502 49.461 ( 19.902 -17.510 0.000) 26.508 49.461 ( 19.902 17.510 0.000) 26.508 ======================= Grid point 22 (13/120) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 6.416 -9.113 0.000) 11.145 0.743 ( 6.416 9.113 0.000) 11.145 1.183 ( 8.411 -12.128 0.000) 14.759 1.183 ( 8.411 12.128 0.000) 14.759 1.479 ( -3.781 -5.603 0.000) 6.759 1.479 ( -3.781 5.603 0.000) 6.759 2.145 ( -1.383 -12.060 0.000) 12.139 2.145 ( -1.383 12.060 0.000) 12.139 2.473 ( -3.243 -0.269 0.000) 3.254 2.473 ( -3.243 0.269 0.000) 3.254 2.478 ( 14.493 -19.316 0.000) 24.149 2.478 ( 14.493 19.316 0.000) 24.149 2.868 ( 4.136 -6.472 0.000) 7.681 2.868 ( 4.136 6.472 0.000) 7.681 2.911 ( 1.390 -1.186 0.000) 1.827 2.911 ( 1.390 1.186 0.000) 1.827 3.279 ( 2.212 -3.143 0.000) 3.843 3.279 ( 2.212 3.143 0.000) 3.843 3.459 ( -1.785 -0.474 0.000) 1.847 3.459 ( -1.785 0.474 0.000) 1.847 3.563 ( -1.188 -1.564 0.000) 1.964 3.563 ( -1.188 1.564 0.000) 1.964 4.019 ( -1.982 -3.420 0.000) 3.953 4.019 ( -1.982 3.420 0.000) 3.953 4.716 ( -6.009 -16.663 0.000) 17.714 4.716 ( -6.009 16.663 0.000) 17.714 9.716 ( -1.892 -4.158 0.000) 4.568 9.716 ( -1.892 4.158 0.000) 4.568 13.302 ( 1.436 -0.855 0.000) 1.671 13.302 ( 1.436 0.855 0.000) 1.671 14.117 ( 0.202 -0.083 0.000) 0.218 14.117 ( 0.202 0.083 0.000) 0.218 16.306 ( -1.808 -1.371 0.000) 2.269 16.306 ( -1.808 1.371 0.000) 2.269 22.131 ( -2.022 -3.131 0.000) 3.727 22.131 ( -2.022 3.131 0.000) 3.727 25.070 ( 0.019 -0.016 0.000) 0.025 25.070 ( 0.019 0.016 0.000) 0.025 25.333 ( -0.072 -0.456 0.000) 0.462 25.333 ( -0.072 0.456 0.000) 0.462 39.420 ( -3.538 -6.209 0.000) 7.146 39.420 ( -3.538 6.209 0.000) 7.146 41.710 ( -0.038 -0.148 0.000) 0.152 41.710 ( -0.038 0.148 0.000) 0.152 48.347 ( 0.845 -2.475 0.000) 2.615 48.347 ( 0.845 2.475 0.000) 2.615 49.827 ( 15.277 -19.038 0.000) 24.410 49.827 ( 15.277 19.038 0.000) 24.410 ======================= Grid point 24 (14/120) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 5.308 -5.414 0.000) 7.582 0.866 ( 5.308 5.414 0.000) 7.582 1.382 ( 10.881 -6.375 0.000) 12.611 1.382 ( 10.881 6.375 0.000) 12.611 1.402 ( -3.602 -3.640 0.000) 5.121 1.402 ( -3.602 3.640 0.000) 5.121 2.005 ( -9.478 -8.896 0.000) 12.999 2.005 ( -9.478 8.896 0.000) 12.999 2.417 ( -2.171 -0.097 0.000) 2.173 2.417 ( -2.171 0.097 0.000) 2.173 2.687 ( 2.818 -6.816 0.000) 7.376 2.687 ( 2.818 6.816 0.000) 7.376 2.934 ( 0.847 -0.590 0.000) 1.032 2.934 ( 0.847 0.590 0.000) 1.032 3.056 ( 14.838 -5.911 0.000) 15.972 3.056 ( 14.838 5.911 0.000) 15.972 3.321 ( 1.811 -2.027 0.000) 2.718 3.321 ( 1.811 2.027 0.000) 2.718 3.477 ( 3.383 -0.803 0.000) 3.477 3.477 ( 3.383 0.803 0.000) 3.477 3.539 ( -1.146 -1.248 0.000) 1.694 3.539 ( -1.146 1.248 0.000) 1.694 3.896 ( -9.739 -4.142 0.000) 10.583 3.896 ( -9.739 4.142 0.000) 10.583 4.615 ( -3.839 -11.816 0.000) 12.424 4.615 ( -3.839 11.816 0.000) 12.424 9.684 ( -1.182 -2.485 0.000) 2.752 9.684 ( -1.182 2.485 0.000) 2.752 13.323 ( 0.699 -0.319 0.000) 0.768 13.323 ( 0.699 0.319 0.000) 0.768 14.120 ( 0.143 -0.045 0.000) 0.150 14.120 ( 0.143 0.045 0.000) 0.150 16.288 ( -0.251 -0.982 0.000) 1.013 16.288 ( -0.251 0.982 0.000) 1.013 22.105 ( -0.761 -1.676 0.000) 1.841 22.105 ( -0.761 1.676 0.000) 1.841 25.071 ( 0.014 -0.009 0.000) 0.016 25.071 ( 0.014 0.009 0.000) 0.016 25.328 ( -0.358 -0.427 0.000) 0.557 25.328 ( -0.358 0.427 0.000) 0.557 39.365 ( -1.929 -3.295 0.000) 3.819 39.365 ( -1.929 3.295 0.000) 3.819 41.709 ( -0.045 -0.078 0.000) 0.090 41.709 ( -0.045 0.078 0.000) 0.090 48.373 ( 1.298 -0.887 0.000) 1.572 48.373 ( 1.298 0.887 0.000) 1.572 50.049 ( 7.252 -10.723 0.000) 12.945 50.049 ( 7.252 10.723 0.000) 12.945 ======================= Grid point 26 (15/120) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.000 0.000 0.000) 0.000 0.925 ( 0.000 0.000 0.000) 0.000 1.360 ( -0.000 0.000 0.000) 0.000 1.360 ( 0.000 0.000 0.000) 0.000 1.531 ( -0.000 0.000 0.000) 0.000 1.531 ( 0.000 0.000 0.000) 0.000 1.870 ( -0.000 0.000 0.000) 0.000 1.870 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.564 ( -0.000 -0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 9.672 ( 0.000 0.000 0.000) 0.000 9.672 ( 0.000 0.000 0.000) 0.000 13.330 ( 0.000 0.000 0.000) 0.000 13.330 ( 0.000 0.000 0.000) 0.000 14.122 ( 0.000 0.000 0.000) 0.000 14.122 ( 0.000 0.000 0.000) 0.000 16.287 ( 0.000 0.000 0.000) 0.000 16.287 ( 0.000 0.000 0.000) 0.000 22.098 ( 0.000 0.000 0.000) 0.000 22.098 ( 0.000 0.000 0.000) 0.000 25.071 ( 0.000 0.000 0.000) 0.000 25.071 ( 0.000 0.000 0.000) 0.000 25.324 ( 0.000 0.000 0.000) 0.000 25.324 ( 0.000 0.000 0.000) 0.000 39.346 ( 0.000 0.000 0.000) 0.000 39.346 ( 0.000 0.000 0.000) 0.000 41.708 ( 0.000 0.000 0.000) 0.000 41.708 ( 0.000 0.000 0.000) 0.000 48.387 ( 0.000 0.000 0.000) 0.000 48.387 ( 0.000 0.000 0.000) 0.000 50.120 ( 0.000 -0.000 0.000) 0.000 50.120 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 45 (16/120) ======================= q-point: ( 0.00 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( 0.000 0.000 14.593) 14.593 0.280 ( 0.000 0.000 14.512) 14.512 0.730 ( 0.000 0.000 36.422) 36.422 1.297 ( 0.000 0.000 14.963) 14.963 1.317 ( 0.000 0.000 14.969) 14.969 1.745 ( 0.000 0.000 0.981) 0.981 1.891 ( 0.000 0.000 8.900) 8.900 1.948 ( 0.000 0.000 -0.851) 0.851 2.258 ( 0.000 0.000 0.663) 0.663 2.518 ( 0.000 0.000 -0.004) 0.004 2.653 ( 0.000 0.000 10.521) 10.521 2.698 ( 0.000 0.000 10.422) 10.422 2.818 ( 0.000 0.000 -4.265) 4.265 2.968 ( 0.000 0.000 -3.526) 3.526 3.043 ( 0.000 0.000 8.224) 8.224 3.102 ( 0.000 0.000 10.392) 10.392 3.270 ( 0.000 0.000 10.424) 10.424 3.442 ( 0.000 0.000 8.295) 8.295 3.546 ( 0.000 0.000 -1.888) 1.888 3.656 ( 0.000 0.000 -1.249) 1.249 3.701 ( 0.000 0.000 6.502) 6.502 3.785 ( 0.000 0.000 -0.844) 0.844 3.799 ( 0.000 0.000 -1.968) 1.968 3.892 ( 0.000 0.000 -2.359) 2.359 4.287 ( 0.000 0.000 0.363) 0.363 5.301 ( 0.000 0.000 -0.672) 0.672 9.633 ( 0.000 0.000 -0.680) 0.680 9.886 ( 0.000 0.000 -1.995) 1.995 13.201 ( 0.000 0.000 0.051) 0.051 13.285 ( 0.000 0.000 -0.924) 0.924 14.139 ( 0.000 0.000 2.982) 2.982 14.657 ( 0.000 0.000 0.155) 0.155 16.348 ( 0.000 0.000 -0.070) 0.070 16.456 ( 0.000 0.000 -0.774) 0.774 21.986 ( 0.000 0.000 -1.103) 1.103 22.167 ( 0.000 0.000 -2.174) 2.174 25.077 ( 0.000 0.000 0.777) 0.777 25.078 ( 0.000 0.000 0.740) 0.740 25.297 ( 0.000 0.000 -0.313) 0.313 25.328 ( 0.000 0.000 -0.373) 0.373 39.084 ( 0.000 0.000 -1.285) 1.285 39.481 ( 0.000 0.000 -3.360) 3.360 41.696 ( 0.000 0.000 -0.785) 0.785 41.709 ( 0.000 0.000 -0.697) 0.697 48.109 ( 0.000 0.000 -2.203) 2.203 48.315 ( 0.000 0.000 -3.342) 3.342 48.825 ( 0.000 0.000 -6.581) 6.581 48.837 ( 0.000 0.000 -8.242) 8.242 ======================= Grid point 46 (17/120) ======================= q-point: ( 0.12 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 23.352 0.000 6.066) 24.127 0.692 ( 11.810 0.000 21.861) 24.847 0.936 ( 30.488 0.000 15.842) 34.358 1.313 ( -0.458 0.000 15.644) 15.651 1.315 ( 1.771 0.000 14.495) 14.603 1.769 ( -0.676 0.000 5.292) 5.335 1.805 ( -8.925 0.000 -0.144) 8.926 1.942 ( 5.097 0.000 3.717) 6.308 2.466 ( 13.718 0.000 -1.443) 13.794 2.515 ( 0.189 0.000 0.094) 0.211 2.626 ( -2.484 0.000 10.242) 10.539 2.660 ( -3.510 0.000 10.017) 10.614 2.805 ( -1.405 0.000 -3.368) 3.649 2.997 ( 3.065 0.000 -4.904) 5.783 3.036 ( -2.567 0.000 13.250) 13.496 3.037 ( 0.842 0.000 10.603) 10.637 3.274 ( 0.894 0.000 9.723) 9.764 3.454 ( 0.661 0.000 7.477) 7.506 3.530 ( -1.465 0.000 -1.166) 1.872 3.588 ( -4.251 0.000 -0.318) 4.262 3.701 ( -0.493 0.000 7.127) 7.144 3.756 ( -3.073 0.000 10.902) 11.327 3.787 ( -0.847 0.000 -1.661) 1.865 3.966 ( 6.334 0.000 -2.527) 6.820 4.198 ( -8.171 0.000 2.243) 8.473 5.257 ( -4.404 0.000 -6.507) 7.857 9.615 ( -1.478 0.000 -0.542) 1.575 9.864 ( -2.243 0.000 -1.862) 2.915 13.222 ( 2.026 0.000 -0.240) 2.041 13.289 ( 0.467 0.000 -0.895) 1.010 14.140 ( 0.082 0.000 2.900) 2.901 14.341 ( -13.236 0.000 13.363) 18.808 16.346 ( 0.210 0.000 -0.603) 0.639 16.416 ( -3.562 0.000 -0.487) 3.595 21.997 ( 1.046 0.000 -1.143) 1.549 22.210 ( 0.626 0.000 -4.935) 4.975 25.078 ( 0.024 0.000 0.789) 0.789 25.078 ( 0.008 0.000 0.738) 0.738 25.300 ( 0.490 0.000 -0.643) 0.808 25.318 ( -0.914 0.000 -0.293) 0.960 39.109 ( 2.377 0.000 -1.376) 2.747 39.577 ( 1.212 0.000 -8.279) 8.367 41.697 ( 0.046 0.000 -0.765) 0.766 41.703 ( -0.217 0.000 -0.984) 1.007 48.126 ( 2.101 0.000 -2.971) 3.639 48.292 ( -1.375 0.000 -3.400) 3.667 48.989 ( 14.946 0.000 -7.497) 16.720 49.863 ( 43.564 0.000 -54.241) 69.569 ======================= Grid point 47 (18/120) ======================= q-point: ( 0.25 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 7.551 0.000 26.713) 27.760 1.056 ( 20.100 0.000 2.661) 20.275 1.295 ( -1.479 0.000 17.409) 17.472 1.357 ( 3.160 0.000 12.937) 13.317 1.596 ( 17.813 0.000 3.105) 18.081 1.684 ( 9.288 0.000 0.827) 9.325 1.711 ( -4.327 0.000 8.572) 9.602 1.995 ( 0.172 0.000 0.761) 0.780 2.524 ( -0.540 0.000 0.329) 0.632 2.571 ( -2.250 0.000 9.068) 9.343 2.580 ( -4.206 0.000 9.413) 10.310 2.658 ( 0.576 0.000 -0.889) 1.060 2.800 ( 4.967 0.000 -3.536) 6.097 3.018 ( 0.132 0.000 5.748) 5.749 3.027 ( 1.277 0.000 12.335) 12.401 3.184 ( 11.425 0.000 1.437) 11.515 3.312 ( 2.735 0.000 7.664) 8.137 3.439 ( -1.704 0.000 0.015) 1.705 3.508 ( -3.267 0.000 -0.699) 3.341 3.528 ( 1.496 0.000 6.845) 7.007 3.666 ( -4.619 0.000 9.681) 10.727 3.688 ( -1.802 0.000 10.910) 11.058 3.760 ( -1.999 0.000 -1.493) 2.495 3.991 ( -11.923 0.000 3.065) 12.311 4.110 ( 8.166 0.000 -2.559) 8.558 5.127 ( -8.737 0.000 -7.330) 11.404 9.589 ( -0.807 0.000 -0.282) 0.855 9.802 ( -3.840 0.000 -1.490) 4.119 13.270 ( 2.497 0.000 -0.692) 2.591 13.302 ( 0.752 0.000 -0.853) 1.137 14.143 ( 0.174 0.000 2.748) 2.753 14.201 ( -3.214 0.000 7.133) 7.824 16.342 ( -3.223 0.000 -0.065) 3.224 16.350 ( -0.086 0.000 -1.076) 1.080 22.024 ( 1.660 0.000 -1.250) 2.078 22.189 ( -2.101 0.000 -3.327) 3.935 25.078 ( 0.012 0.000 0.787) 0.787 25.078 ( 0.010 0.000 0.736) 0.736 25.298 ( -0.837 0.000 -0.162) 0.853 25.310 ( 0.310 0.000 -0.910) 0.962 39.168 ( 3.384 0.000 -1.540) 3.718 39.525 ( -4.960 0.000 -4.693) 6.828 41.698 ( 0.056 0.000 -0.728) 0.730 41.701 ( -0.048 0.000 -1.149) 1.150 48.181 ( 3.143 0.000 -3.641) 4.810 48.279 ( -0.018 0.000 -3.709) 3.709 49.349 ( 20.036 0.000 -9.568) 22.204 50.278 ( 5.851 0.000 -32.978) 33.493 ======================= Grid point 48 (19/120) ======================= q-point: ( 0.38 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 7.789 0.000 23.774) 25.018 1.245 ( -3.688 0.000 19.203) 19.554 1.364 ( 10.141 0.000 1.437) 10.242 1.426 ( 3.734 0.000 10.946) 11.566 1.556 ( -3.064 0.000 2.778) 4.136 1.618 ( -4.791 0.000 10.576) 11.611 2.040 ( 6.488 0.000 0.433) 6.502 2.186 ( 20.598 0.000 -0.499) 20.604 2.481 ( -2.596 0.000 3.565) 4.410 2.483 ( -7.687 0.000 2.597) 8.114 2.547 ( -1.112 0.000 5.506) 5.617 2.554 ( -5.696 0.000 6.763) 8.842 2.925 ( 4.849 0.000 -1.828) 5.182 3.016 ( -0.449 0.000 6.375) 6.391 3.092 ( 5.573 0.000 9.063) 10.640 3.336 ( 0.556 0.000 2.778) 2.833 3.390 ( 6.530 0.000 -0.920) 6.594 3.428 ( 0.528 0.000 4.215) 4.248 3.495 ( 2.453 0.000 -0.937) 2.626 3.563 ( -5.136 0.000 10.132) 11.359 3.566 ( 2.194 0.000 9.225) 9.482 3.653 ( -2.184 0.000 8.136) 8.424 3.703 ( -3.943 0.000 -1.338) 4.164 3.755 ( -11.266 0.000 3.455) 11.784 4.318 ( 13.400 0.000 -2.653) 13.660 4.911 ( -13.035 0.000 -5.567) 14.174 9.593 ( 1.350 0.000 -0.233) 1.370 9.719 ( -4.281 0.000 -0.979) 4.392 13.310 ( 1.374 0.000 -0.870) 1.626 13.317 ( 0.651 0.000 -0.857) 1.076 14.147 ( 0.258 0.000 2.723) 2.735 14.165 ( -0.951 0.000 4.134) 4.241 16.304 ( -0.557 0.000 -0.092) 0.565 16.338 ( -1.064 0.000 -0.997) 1.458 22.060 ( 1.892 0.000 -1.424) 2.368 22.143 ( -2.342 0.000 -2.281) 3.269 25.078 ( 0.010 0.000 0.762) 0.762 25.079 ( 0.004 0.000 0.735) 0.735 25.289 ( -0.017 0.000 -0.169) 0.170 25.308 ( -0.445 0.000 -0.736) 0.860 39.239 ( 3.732 0.000 -1.699) 4.101 39.417 ( -5.430 0.000 -2.826) 6.122 41.699 ( 0.037 0.000 -0.731) 0.732 41.700 ( -0.039 0.000 -1.004) 1.005 48.239 ( 2.530 0.000 -4.148) 4.858 48.283 ( 0.130 0.000 -4.129) 4.131 49.738 ( 18.406 0.000 -12.080) 22.016 50.256 ( -6.419 0.000 -20.872) 21.837 ======================= Grid point 49 (20/120) ======================= q-point: (-0.50 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -6.278 0.000 21.207) 22.117 1.145 ( 6.278 0.000 21.207) 22.117 1.474 ( -1.428 0.000 1.717) 2.233 1.474 ( 1.428 0.000 1.717) 2.233 1.534 ( -2.657 0.000 11.285) 11.593 1.534 ( 2.657 0.000 11.285) 11.593 2.251 ( -13.123 0.000 -0.238) 13.126 2.251 ( 13.123 0.000 -0.238) 13.126 2.424 ( -4.736 0.000 0.406) 4.753 2.424 ( 4.736 0.000 0.406) 4.753 2.519 ( -1.046 0.000 8.664) 8.727 2.519 ( 1.046 0.000 8.664) 8.727 2.993 ( -2.127 0.000 4.123) 4.640 2.993 ( 2.127 0.000 4.123) 4.640 3.243 ( -8.513 0.000 1.802) 8.701 3.243 ( 8.513 0.000 1.802) 8.701 3.463 ( -3.856 0.000 5.738) 6.913 3.463 ( 3.856 0.000 5.738) 6.913 3.537 ( -7.228 0.000 3.670) 8.106 3.537 ( 7.228 0.000 3.670) 8.106 3.605 ( -4.721 0.000 -1.503) 4.954 3.605 ( 4.721 0.000 -1.503) 4.954 3.616 ( -2.767 0.000 9.572) 9.964 3.616 ( 2.766 0.000 9.572) 9.964 4.620 ( -15.886 0.000 -3.753) 16.324 4.620 ( 15.886 0.000 -3.753) 16.324 9.641 ( -3.365 0.000 -0.498) 3.402 9.641 ( 3.365 0.000 -0.498) 3.402 13.324 ( -0.070 0.000 -0.889) 0.892 13.324 ( 0.070 0.000 -0.889) 0.892 14.153 ( -0.399 0.000 3.047) 3.073 14.153 ( 0.399 0.000 3.047) 3.073 16.313 ( -1.193 0.000 -0.543) 1.311 16.313 ( 1.193 0.000 -0.543) 1.311 22.099 ( -2.079 0.000 -1.722) 2.699 22.099 ( 2.079 0.000 -1.722) 2.699 25.078 ( -0.005 0.000 0.742) 0.742 25.078 ( 0.005 0.000 0.742) 0.742 25.296 ( -0.623 0.000 -0.399) 0.740 25.296 ( 0.623 0.000 -0.399) 0.740 39.319 ( -4.463 0.000 -2.015) 4.897 39.319 ( 4.463 0.000 -2.015) 4.897 41.699 ( -0.032 0.000 -0.827) 0.827 41.699 ( 0.032 0.000 -0.827) 0.827 48.275 ( -1.052 0.000 -4.333) 4.459 48.275 ( 1.052 0.000 -4.333) 4.459 50.056 ( -13.368 0.000 -15.305) 20.321 50.056 ( 13.368 0.000 -15.305) 20.321 ======================= Grid point 54 (21/120) ======================= q-point: ( 0.00 0.25 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 0.000 17.925 5.719) 18.815 0.660 ( 0.000 9.424 20.531) 22.591 1.041 ( 0.000 31.582 14.045) 34.564 1.102 ( 0.000 -8.559 19.263) 21.079 1.486 ( 0.000 -17.613 1.271) 17.659 1.502 ( 0.000 8.190 11.613) 14.211 1.790 ( 0.000 -4.143 9.141) 10.036 2.192 ( 0.000 -8.456 -0.232) 8.459 2.202 ( 0.000 12.022 -0.891) 12.055 2.502 ( 0.000 -1.358 0.050) 1.359 2.655 ( 0.000 0.162 10.238) 10.239 2.689 ( 0.000 -0.881 10.213) 10.251 2.755 ( 0.000 -2.711 -2.528) 3.707 2.847 ( 0.000 -9.793 -4.135) 10.631 3.041 ( 0.000 -0.374 11.877) 11.883 3.055 ( 0.000 -2.288 13.230) 13.427 3.262 ( 0.000 0.799 9.656) 9.688 3.406 ( 0.000 -3.315 8.638) 9.252 3.543 ( 0.000 0.473 -0.915) 1.030 3.605 ( 0.000 -5.253 -1.245) 5.398 3.724 ( 0.000 -0.069 8.691) 8.691 3.733 ( 0.000 1.598 4.553) 4.825 3.861 ( 0.000 1.837 -2.335) 2.971 3.879 ( 0.000 0.135 -0.997) 1.006 4.523 ( 0.000 15.746 -1.447) 15.812 5.117 ( 0.000 -10.747 -0.209) 10.749 9.669 ( 0.000 3.165 -0.846) 3.276 9.849 ( 0.000 -3.236 -1.764) 3.685 13.206 ( 0.000 0.856 -0.461) 0.973 13.271 ( 0.000 -1.204 -0.972) 1.547 14.148 ( 0.000 0.819 3.633) 3.725 14.316 ( 0.000 -11.609 12.802) 17.282 16.357 ( 0.000 1.244 -0.566) 1.366 16.438 ( 0.000 -1.522 -0.821) 1.729 22.137 ( 0.000 4.533 -7.191) 8.501 22.171 ( 0.000 0.346 -2.565) 2.588 25.078 ( 0.000 0.033 0.794) 0.794 25.079 ( 0.000 0.011 0.798) 0.798 25.302 ( 0.000 0.424 -0.360) 0.556 25.324 ( 0.000 -0.351 -0.383) 0.520 39.376 ( 0.000 9.507 -12.166) 15.440 39.483 ( 0.000 0.045 -3.911) 3.911 41.697 ( 0.000 0.046 -0.883) 0.885 41.702 ( 0.000 -0.270 -0.960) 0.997 48.178 ( 0.000 6.171 -2.831) 6.790 48.605 ( 0.000 -11.077 -5.592) 12.408 48.853 ( 0.000 18.922 -25.889) 32.067 48.989 ( 0.000 5.051 -9.941) 11.151 ======================= Grid point 55 (22/120) ======================= q-point: ( 0.12 0.25 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 13.642 9.004 6.963) 17.767 0.763 ( 7.256 5.736 22.218) 24.066 1.110 ( 2.386 -6.760 18.167) 19.530 1.322 ( 22.857 22.876 8.209) 33.363 1.487 ( -1.012 3.154 8.814) 9.415 1.526 ( 2.197 -9.594 3.582) 10.474 1.760 ( -2.760 -3.286 9.070) 10.034 2.107 ( -0.337 7.790 1.208) 7.890 2.370 ( 5.709 -7.229 -1.412) 9.319 2.536 ( 5.370 -1.481 -0.980) 5.656 2.630 ( -2.403 0.277 10.173) 10.457 2.654 ( -3.093 -0.436 9.832) 10.317 2.744 ( -1.226 -2.376 -2.396) 3.591 2.877 ( 3.560 -9.433 -3.952) 10.830 3.039 ( -0.517 0.086 13.051) 13.062 3.046 ( 0.976 0.343 11.943) 11.987 3.277 ( 1.551 1.075 9.270) 9.460 3.408 ( 0.055 -3.336 7.181) 7.919 3.508 ( -2.043 -0.789 -0.696) 2.298 3.556 ( -4.100 -3.225 0.027) 5.217 3.703 ( -0.994 0.369 8.679) 8.743 3.740 ( -1.588 -1.657 7.867) 8.194 3.882 ( 1.017 6.668 -0.204) 6.748 3.942 ( 4.908 0.710 -1.899) 5.311 4.455 ( -6.333 15.881 -1.495) 17.163 5.087 ( -3.256 -12.151 -4.209) 13.265 9.652 ( -1.465 3.179 -0.701) 3.570 9.829 ( -1.921 -3.056 -1.656) 3.971 13.228 ( 2.041 0.812 -0.681) 2.300 13.283 ( 0.970 -0.784 -1.119) 1.676 14.147 ( -0.031 0.689 3.454) 3.522 14.250 ( -4.452 -4.983 10.216) 12.207 16.330 ( -1.566 0.023 -0.047) 1.567 16.401 ( -3.242 -1.547 -0.576) 3.638 22.073 ( -2.589 4.373 -2.633) 5.723 22.194 ( -0.427 -1.428 -4.150) 4.409 25.078 ( 0.010 0.017 0.779) 0.780 25.079 ( -0.018 0.007 0.793) 0.793 25.307 ( 0.481 0.560 -0.571) 0.933 25.325 ( -0.174 0.204 -0.671) 0.723 39.274 ( -3.809 9.719 -4.359) 11.312 39.539 ( 0.097 -3.197 -6.628) 7.360 41.697 ( 0.043 0.042 -0.862) 0.864 41.701 ( -0.057 -0.129 -1.099) 1.108 48.186 ( 1.224 5.107 -3.235) 6.168 48.370 ( -6.869 2.178 -4.642) 8.572 49.066 ( 15.243 7.204 -9.909) 19.556 49.609 ( 34.615 -16.556 -32.058) 50.000 ======================= Grid point 56 (23/120) ======================= q-point: ( 0.25 0.25 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 7.424 3.013 24.652) 25.922 1.028 ( 16.208 0.198 3.227) 16.527 1.170 ( 3.699 -5.576 17.924) 19.132 1.453 ( -1.222 -0.298 6.757) 6.873 1.517 ( 0.747 -6.084 7.463) 9.657 1.682 ( -3.726 -2.728 9.582) 10.637 1.846 ( 18.114 16.015 2.458) 24.303 2.113 ( 4.254 10.127 0.038) 10.984 2.390 ( -3.189 -9.840 -0.335) 10.349 2.570 ( -3.249 0.303 9.790) 10.319 2.581 ( -3.523 0.024 9.664) 10.286 2.708 ( -2.217 0.281 -2.067) 3.044 2.733 ( 11.384 -2.551 -2.713) 11.977 2.983 ( 5.989 -7.353 0.072) 9.484 3.041 ( 0.454 1.207 11.721) 11.791 3.112 ( 6.247 -3.738 8.222) 10.982 3.322 ( 2.864 0.882 8.398) 8.917 3.391 ( -1.604 -2.103 0.926) 2.802 3.475 ( -1.625 -1.858 -0.742) 2.578 3.501 ( 0.074 -2.523 6.240) 6.731 3.674 ( -2.203 0.006 10.299) 10.532 3.692 ( -2.601 0.195 9.274) 9.634 3.855 ( -3.724 8.899 0.398) 9.655 4.011 ( -0.429 1.359 -0.812) 1.641 4.326 ( -3.933 14.652 -2.403) 15.360 4.984 ( -7.054 -11.791 -6.208) 15.077 9.625 ( -0.997 3.031 -0.459) 3.224 9.778 ( -3.134 -2.255 -1.363) 4.094 13.273 ( 2.221 0.445 -0.903) 2.438 13.302 ( 0.912 -0.204 -1.030) 1.391 14.147 ( 0.035 0.419 3.091) 3.119 14.186 ( -1.980 -1.143 6.037) 6.455 16.306 ( -1.184 -1.434 -0.081) 1.861 16.342 ( -2.023 -1.445 -0.405) 2.519 22.052 ( 0.082 2.206 -1.542) 2.692 22.164 ( -2.059 -2.036 -2.890) 4.091 25.078 ( 0.014 0.003 0.762) 0.762 25.078 ( -0.003 -0.001 0.766) 0.766 25.310 ( -0.354 0.826 -0.441) 1.001 25.320 ( -0.041 0.649 -0.918) 1.125 39.248 ( 0.407 6.081 -2.303) 6.515 39.487 ( -4.311 -3.300 -4.206) 6.867 41.698 ( 0.050 0.032 -0.812) 0.814 41.700 ( -0.015 -0.049 -1.121) 1.122 48.226 ( 2.590 3.632 -3.918) 5.937 48.309 ( -0.732 1.584 -4.154) 4.506 49.419 ( 18.802 6.696 -10.872) 22.728 50.048 ( 11.171 -17.551 -25.532) 32.935 ======================= Grid point 57 (24/120) ======================= q-point: ( 0.38 0.25 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 7.128 2.383 22.773) 23.981 1.193 ( 0.827 -4.037 18.484) 18.938 1.335 ( 10.947 -0.410 2.468) 11.229 1.450 ( 1.033 1.449 8.955) 9.130 1.548 ( 1.736 -2.749 4.956) 5.928 1.595 ( -4.477 -2.012 10.820) 11.881 1.925 ( 0.239 -1.997 1.186) 2.335 2.254 ( -9.429 -12.447 -0.293) 15.618 2.407 ( 13.682 12.319 -1.021) 18.438 2.510 ( -2.427 0.561 8.843) 9.187 2.526 ( -1.192 0.435 9.827) 9.908 2.659 ( -2.736 2.945 -1.275) 4.217 2.919 ( 7.759 0.724 -1.955) 8.034 3.045 ( -0.143 2.022 9.467) 9.681 3.098 ( 6.135 -0.366 7.846) 9.966 3.247 ( 4.869 -9.122 -0.420) 10.349 3.389 ( 3.423 -0.789 7.524) 8.304 3.406 ( 4.072 0.334 0.135) 4.088 3.474 ( 1.086 -1.353 1.099) 2.054 3.518 ( 1.289 -2.234 6.610) 7.096 3.625 ( -1.797 1.840 10.696) 11.001 3.642 ( -2.952 0.857 5.806) 6.570 3.744 ( -6.853 6.710 2.364) 9.878 3.879 ( -10.584 4.437 -0.180) 11.478 4.377 ( 7.917 5.910 -2.750) 10.255 4.810 ( -10.464 -8.614 -4.977) 14.439 9.621 ( 0.732 2.279 -0.393) 2.426 9.712 ( -3.329 -0.831 -0.952) 3.560 13.308 ( 1.202 0.008 -0.936) 1.524 13.318 ( 0.576 -0.078 -0.951) 1.114 14.149 ( 0.144 0.179 2.869) 2.878 14.162 ( -0.690 -0.288 3.857) 3.929 16.289 ( -0.182 -0.889 -0.069) 0.910 16.318 ( -0.910 -1.600 -0.608) 1.938 22.065 ( 1.070 0.546 -1.451) 1.884 22.124 ( -1.908 -1.526 -2.060) 3.195 25.078 ( 0.013 0.000 0.750) 0.750 25.079 ( 0.002 -0.003 0.745) 0.745 25.304 ( -0.131 1.019 -0.366) 1.091 25.316 ( -0.410 0.528 -0.761) 1.013 39.272 ( 1.905 2.767 -1.903) 3.861 39.397 ( -4.381 -1.794 -2.670) 5.435 41.699 ( 0.029 0.019 -0.783) 0.784 41.700 ( -0.022 -0.016 -0.978) 0.978 48.276 ( 2.156 2.767 -4.448) 5.665 48.309 ( 0.246 1.741 -4.455) 4.790 49.766 ( 15.528 3.039 -12.537) 20.187 50.129 ( -1.578 -10.094 -18.588) 21.211 ======================= Grid point 58 (25/120) ======================= q-point: (-0.50 0.25 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -4.586 0.457 20.823) 21.327 1.152 ( 4.586 0.457 20.823) 21.327 1.478 ( -1.192 0.171 4.129) 4.301 1.478 ( 1.192 0.171 4.129) 4.301 1.533 ( -1.055 0.461 9.012) 9.085 1.533 ( 1.055 0.461 9.012) 9.085 2.040 ( -10.469 -11.688 0.613) 15.703 2.040 ( 10.469 -11.688 0.613) 15.703 2.484 ( -0.249 1.096 8.044) 8.122 2.484 ( 0.249 1.096 8.044) 8.122 2.597 ( -4.032 4.901 -0.337) 6.355 2.597 ( 4.032 4.901 -0.337) 6.355 3.024 ( -2.475 2.753 6.590) 7.559 3.024 ( 2.475 2.753 6.590) 7.559 3.246 ( -6.079 -1.009 0.108) 6.163 3.246 ( 6.079 -1.009 0.108) 6.163 3.441 ( -2.019 -1.667 7.096) 7.563 3.441 ( 2.019 -1.667 7.096) 7.563 3.518 ( -4.861 1.094 0.705) 5.032 3.518 ( 4.861 1.094 0.705) 5.032 3.617 ( -1.006 0.178 6.134) 6.218 3.617 ( 1.006 0.178 6.134) 6.218 3.686 ( -5.781 4.001 3.124) 7.693 3.686 ( 5.781 4.001 3.124) 7.693 4.583 ( -11.793 -2.679 -3.373) 12.555 4.583 ( 11.793 -2.679 -3.373) 12.555 9.653 ( -2.428 0.852 -0.579) 2.638 9.653 ( 2.428 0.852 -0.579) 2.638 13.322 ( -0.215 -0.135 -0.933) 0.967 13.322 ( 0.215 -0.135 -0.933) 0.967 14.153 ( -0.282 -0.015 3.027) 3.040 14.153 ( 0.282 -0.015 3.027) 3.040 16.299 ( -0.947 -1.046 -0.393) 1.465 16.299 ( 0.947 -1.046 -0.393) 1.465 22.090 ( -1.495 -0.610 -1.631) 2.295 22.090 ( 1.495 -0.610 -1.631) 2.295 25.078 ( -0.005 -0.001 0.742) 0.742 25.078 ( 0.005 -0.001 0.742) 0.742 25.307 ( -0.426 0.746 -0.496) 0.992 25.307 ( 0.426 0.746 -0.496) 0.992 39.322 ( -3.136 0.237 -2.009) 3.732 39.322 ( 3.136 0.237 -2.009) 3.732 41.699 ( -0.022 0.004 -0.837) 0.837 41.699 ( 0.022 0.004 -0.837) 0.837 48.305 ( -0.764 2.190 -4.639) 5.187 48.305 ( 0.764 2.190 -4.639) 5.187 50.016 ( -9.448 -2.904 -14.768) 17.770 50.016 ( 9.448 -2.904 -14.768) 17.770 ======================= Grid point 63 (26/120) ======================= q-point: ( 0.00 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 0.000 -1.966 14.606) 14.738 0.798 ( 0.000 1.966 14.606) 14.738 1.085 ( 0.000 -13.856 11.088) 17.746 1.085 ( 0.000 13.856 11.088) 17.746 1.658 ( 0.000 -3.809 8.359) 9.185 1.658 ( 0.000 3.809 8.359) 9.185 1.781 ( 0.000 -25.980 2.478) 26.098 1.781 ( 0.000 25.980 2.478) 26.098 2.419 ( 0.000 -7.223 -1.103) 7.307 2.419 ( 0.000 7.223 -1.103) 7.307 2.661 ( 0.000 -0.715 7.900) 7.932 2.661 ( 0.000 0.715 7.900) 7.932 2.722 ( 0.000 -0.441 0.051) 0.444 2.722 ( 0.000 0.441 0.051) 0.444 3.030 ( 0.000 -0.079 13.441) 13.441 3.030 ( 0.000 0.079 13.441) 13.441 3.322 ( 0.000 -3.895 8.954) 9.764 3.322 ( 0.000 3.895 8.954) 9.764 3.551 ( 0.000 -0.596 -1.447) 1.565 3.551 ( 0.000 0.596 -1.447) 1.565 3.731 ( 0.000 -0.563 9.450) 9.467 3.731 ( 0.000 0.563 9.450) 9.467 3.886 ( 0.000 -0.259 -2.146) 2.162 3.886 ( 0.000 0.259 -2.146) 2.162 4.855 ( 0.000 -13.564 -2.605) 13.812 4.855 ( 0.000 13.564 -2.605) 13.812 9.759 ( 0.000 -4.543 -1.273) 4.718 9.759 ( 0.000 4.543 -1.273) 4.718 13.237 ( 0.000 -1.706 -0.987) 1.971 13.237 ( 0.000 1.706 -0.987) 1.971 14.183 ( 0.000 -2.786 6.286) 6.876 14.183 ( 0.000 2.786 6.286) 6.876 16.396 ( 0.000 -2.073 -0.852) 2.241 16.396 ( 0.000 2.073 -0.852) 2.241 22.176 ( 0.000 -0.184 -3.998) 4.003 22.176 ( 0.000 0.184 -3.998) 4.003 25.079 ( 0.000 -0.040 0.823) 0.824 25.079 ( 0.000 0.040 0.823) 0.824 25.313 ( 0.000 -0.562 -0.394) 0.686 25.313 ( 0.000 0.562 -0.394) 0.686 39.473 ( 0.000 -1.378 -6.238) 6.388 39.473 ( 0.000 1.378 -6.238) 6.388 41.698 ( 0.000 -0.100 -1.063) 1.068 41.698 ( 0.000 0.100 -1.063) 1.068 48.364 ( 0.000 -10.233 -4.032) 10.999 48.364 ( 0.000 10.233 -4.032) 10.999 49.037 ( 0.000 -1.374 -15.172) 15.234 49.037 ( 0.000 1.374 -15.172) 15.234 ======================= Grid point 65 (27/120) ======================= q-point: ( 0.12 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 5.066 -4.518 15.612) 17.023 0.854 ( 5.066 4.518 15.612) 17.023 1.127 ( 3.439 -14.024 9.329) 17.191 1.127 ( 3.439 14.024 9.329) 17.191 1.644 ( -1.657 -5.719 9.600) 11.297 1.644 ( -1.657 5.719 9.600) 11.297 1.943 ( 15.142 -22.965 1.690) 27.559 1.943 ( 15.142 22.965 1.690) 27.559 2.388 ( -2.531 -9.214 -0.944) 9.602 2.388 ( -2.531 9.214 -0.944) 9.602 2.639 ( -2.362 -0.553 9.746) 10.044 2.639 ( -2.362 0.553 9.746) 10.044 2.745 ( 2.214 -2.174 -2.638) 4.073 2.745 ( 2.214 2.174 -2.638) 4.073 3.044 ( 1.279 -0.318 13.012) 13.078 3.044 ( 1.279 0.318 13.012) 13.078 3.332 ( 0.951 -3.378 8.263) 8.977 3.332 ( 0.951 3.378 8.263) 8.977 3.507 ( -3.422 -1.013 -0.740) 3.644 3.507 ( -3.422 1.013 -0.740) 3.644 3.717 ( -1.197 -0.788 10.160) 10.260 3.717 ( -1.197 0.788 10.160) 10.260 3.957 ( 4.969 -0.533 -2.216) 5.466 3.957 ( 4.969 0.533 -2.216) 5.466 4.793 ( -5.632 -14.376 -3.321) 15.793 4.793 ( -5.632 14.376 -3.321) 15.793 9.742 ( -1.551 -4.485 -1.138) 4.881 9.742 ( -1.551 4.485 -1.138) 4.881 13.256 ( 1.648 -1.487 -1.109) 2.481 13.256 ( 1.648 1.487 -1.109) 2.481 14.175 ( -0.688 -2.024 5.560) 5.957 14.175 ( -0.688 2.024 5.560) 5.957 16.357 ( -3.093 -2.042 -0.367) 3.724 16.357 ( -3.093 2.042 -0.367) 3.724 22.149 ( -2.200 -2.653 -3.180) 4.690 22.149 ( -2.200 2.653 -3.180) 4.690 25.078 ( -0.011 -0.029 0.801) 0.802 25.078 ( -0.011 0.029 0.801) 0.802 25.320 ( 0.485 -0.547 -0.631) 0.965 25.320 ( 0.485 0.547 -0.631) 0.965 39.442 ( -2.656 -5.705 -5.053) 8.070 39.442 ( -2.656 5.705 -5.053) 8.070 41.699 ( 0.024 -0.080 -1.056) 1.060 41.699 ( 0.024 0.080 -1.056) 1.060 48.317 ( -2.357 -5.672 -4.057) 7.361 48.317 ( -2.357 5.672 -4.057) 7.361 49.286 ( 19.830 -12.312 -15.976) 28.285 49.286 ( 19.830 12.312 -15.976) 28.285 ======================= Grid point 67 (28/120) ======================= q-point: ( 0.25 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 6.834 -5.105 18.032) 19.948 0.977 ( 6.834 5.105 18.032) 19.948 1.224 ( 6.816 -10.193 5.706) 13.525 1.224 ( 6.816 10.193 5.706) 13.525 1.596 ( -2.965 -4.763 10.963) 12.315 1.596 ( -2.965 4.763 10.963) 12.315 2.151 ( -1.803 -11.544 0.760) 11.708 2.151 ( -1.803 11.544 0.760) 11.708 2.457 ( 13.641 -18.158 -1.358) 22.751 2.457 ( 13.641 18.158 -1.358) 22.751 2.579 ( -3.208 -0.174 9.892) 10.401 2.579 ( -3.208 0.174 9.892) 10.401 2.802 ( 4.263 -4.970 -3.377) 7.367 2.802 ( 4.263 4.970 -3.377) 7.367 3.073 ( 1.386 -1.511 12.304) 12.474 3.073 ( 1.386 1.511 12.304) 12.474 3.356 ( 1.453 -1.743 5.887) 6.310 3.356 ( 1.453 1.743 5.887) 6.310 3.457 ( -0.883 -0.770 1.723) 2.084 3.457 ( -0.883 0.770 1.723) 2.084 3.686 ( -1.867 -0.607 10.269) 10.455 3.686 ( -1.867 0.607 10.269) 10.455 4.002 ( -1.630 -3.245 -1.280) 3.850 4.002 ( -1.630 3.245 -1.280) 3.850 4.669 ( -5.994 -15.740 -4.308) 17.385 4.669 ( -5.994 15.740 -4.308) 17.385 9.706 ( -1.786 -3.919 -0.913) 4.402 9.706 ( -1.786 3.919 -0.913) 4.402 13.289 ( 1.524 -0.841 -1.128) 2.074 13.289 ( 1.524 0.841 -1.128) 2.074 14.162 ( -0.545 -0.922 4.217) 4.351 14.162 ( -0.545 0.922 4.217) 4.351 16.305 ( -1.791 -1.255 -0.026) 2.187 16.305 ( -1.791 1.255 -0.026) 2.187 22.109 ( -1.601 -2.777 -2.141) 3.855 22.109 ( -1.601 2.777 -2.141) 3.855 25.078 ( 0.002 -0.015 0.766) 0.766 25.078 ( 0.002 0.015 0.766) 0.766 25.325 ( -0.050 -0.312 -0.773) 0.835 25.325 ( -0.050 0.312 -0.773) 0.835 39.386 ( -2.750 -5.758 -3.307) 7.187 39.386 ( -2.750 5.758 -3.307) 7.187 41.699 ( 0.027 -0.049 -0.992) 0.994 41.699 ( 0.027 0.049 -0.992) 0.994 48.303 ( 0.624 -2.376 -4.347) 4.993 48.303 ( 0.624 2.376 -4.347) 4.993 49.661 ( 16.085 -15.260 -15.747) 27.195 49.661 ( 16.085 15.260 -15.747) 27.195 ======================= Grid point 69 (29/120) ======================= q-point: ( 0.38 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 5.142 -3.877 19.964) 20.977 1.101 ( 5.142 3.877 19.964) 20.977 1.393 ( 9.208 -5.269 2.023) 10.800 1.393 ( 9.208 5.269 2.023) 10.800 1.538 ( -2.345 -2.579 12.257) 12.743 1.538 ( -2.345 2.579 12.257) 12.743 2.011 ( -9.173 -8.531 0.763) 12.551 2.011 ( -9.173 8.531 0.763) 12.551 2.518 ( -2.270 -0.039 9.665) 9.928 2.518 ( -2.270 0.039 9.665) 9.928 2.644 ( 2.312 -5.628 -3.190) 6.869 2.644 ( 2.312 5.628 -3.190) 6.869 2.994 ( 12.541 -6.712 0.268) 14.227 2.994 ( 12.541 6.712 0.268) 14.227 3.103 ( 2.972 -3.007 9.016) 9.958 3.103 ( 2.972 3.007 9.016) 9.958 3.393 ( 2.089 -0.905 5.185) 5.662 3.393 ( 2.089 0.905 5.185) 5.662 3.477 ( 2.811 -1.411 1.963) 3.707 3.477 ( 2.811 1.411 1.963) 3.707 3.648 ( -1.883 -0.401 9.349) 9.545 3.648 ( -1.883 0.401 9.349) 9.545 3.885 ( -9.303 -3.874 -0.254) 10.081 3.885 ( -9.303 3.874 -0.254) 10.081 4.577 ( -3.181 -11.191 -3.667) 12.199 4.577 ( -3.181 11.191 -3.667) 12.199 9.677 ( -1.112 -2.334 -0.732) 2.687 9.677 ( -1.112 2.334 -0.732) 2.687 13.312 ( 0.764 -0.320 -1.023) 1.316 13.312 ( 0.764 0.320 -1.023) 1.316 14.155 ( -0.202 -0.321 3.298) 3.320 14.155 ( -0.202 0.321 3.298) 3.320 16.286 ( -0.340 -0.849 -0.147) 0.926 16.286 ( -0.340 0.849 -0.147) 0.926 22.088 ( -0.617 -1.509 -1.665) 2.330 22.088 ( -0.617 1.509 -1.665) 2.330 25.078 ( 0.007 -0.006 0.746) 0.746 25.078 ( 0.007 0.006 0.746) 0.746 25.321 ( -0.283 -0.318 -0.666) 0.791 25.321 ( -0.283 0.318 -0.666) 0.791 39.341 ( -1.594 -3.100 -2.306) 4.180 39.341 ( -1.594 3.100 -2.306) 4.180 41.699 ( 0.008 -0.022 -0.893) 0.894 41.699 ( 0.008 0.022 -0.893) 0.894 48.324 ( 1.117 -0.879 -4.775) 4.982 48.324 ( 1.117 0.879 -4.775) 4.982 49.898 ( 7.826 -9.100 -14.676) 18.958 49.898 ( 7.826 9.100 -14.676) 18.958 ======================= Grid point 71 (30/120) ======================= q-point: (-0.50 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -0.000 -0.000 20.298) 20.298 1.158 ( -0.000 0.000 20.298) 20.298 1.476 ( -0.000 -0.000 7.859) 7.859 1.476 ( -0.000 0.000 7.859) 7.859 1.554 ( -0.000 -0.000 5.312) 5.312 1.554 ( -0.000 0.000 5.312) 5.312 1.883 ( 0.000 -0.000 1.479) 1.479 1.883 ( 0.000 0.000 1.479) 1.479 2.494 ( 0.000 0.000 9.542) 9.542 2.494 ( 0.000 0.000 9.542) 9.542 2.653 ( 0.000 -0.000 -3.233) 3.233 2.653 ( 0.000 0.000 -3.233) 3.233 3.075 ( 0.000 -0.000 11.637) 11.637 3.075 ( 0.000 0.000 11.637) 11.637 3.212 ( 0.000 -0.000 -3.377) 3.377 3.212 ( 0.000 0.000 -3.377) 3.377 3.418 ( -0.000 -0.000 6.751) 6.751 3.418 ( -0.000 0.000 6.751) 6.751 3.553 ( -0.000 -0.000 -0.361) 0.361 3.553 ( -0.000 0.000 -0.361) 0.361 3.615 ( 0.000 -0.000 6.328) 6.328 3.615 ( 0.000 0.000 6.328) 6.328 3.734 ( 0.000 0.000 3.318) 3.318 3.734 ( 0.000 0.000 3.318) 3.318 4.544 ( 0.000 0.000 -2.932) 2.932 4.544 ( 0.000 0.000 -2.932) 2.932 9.665 ( 0.000 0.000 -0.658) 0.658 9.665 ( 0.000 0.000 -0.658) 0.658 13.320 ( 0.000 0.000 -0.976) 0.976 13.320 ( 0.000 0.000 -0.976) 0.976 14.153 ( 0.000 0.000 3.007) 3.007 14.153 ( 0.000 0.000 3.007) 3.007 16.284 ( 0.000 0.000 -0.246) 0.246 16.284 ( 0.000 0.000 -0.246) 0.246 22.082 ( 0.000 0.000 -1.542) 1.542 22.082 ( 0.000 0.000 -1.542) 1.542 25.078 ( 0.000 0.000 0.741) 0.741 25.078 ( 0.000 0.000 0.741) 0.741 25.317 ( 0.000 0.000 -0.590) 0.590 25.317 ( 0.000 0.000 -0.590) 0.590 39.325 ( 0.000 0.000 -2.002) 2.002 39.325 ( 0.000 0.000 -2.002) 2.002 41.699 ( 0.000 0.000 -0.846) 0.846 41.699 ( 0.000 0.000 -0.846) 0.846 48.337 ( 0.000 0.000 -4.965) 4.965 48.337 ( 0.000 0.000 -4.965) 4.965 49.975 ( 0.000 0.000 -14.214) 14.214 49.975 ( 0.000 0.000 -14.214) 14.214 ======================= Grid point 90 (31/120) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.000 0.000 15.460) 15.460 0.578 ( 0.000 0.000 16.691) 16.691 1.427 ( 0.000 0.000 33.319) 33.319 1.638 ( 0.000 0.000 17.300) 17.300 1.673 ( 0.000 0.000 19.363) 19.363 1.782 ( 0.000 0.000 2.914) 2.914 1.934 ( 0.000 0.000 0.155) 0.155 2.124 ( 0.000 0.000 13.817) 13.817 2.295 ( 0.000 0.000 3.727) 3.727 2.522 ( 0.000 0.000 0.306) 0.306 2.742 ( 0.000 0.000 -3.607) 3.607 2.865 ( 0.000 0.000 -5.328) 5.328 2.928 ( 0.000 0.000 16.389) 16.389 2.969 ( 0.000 0.000 15.991) 15.991 3.284 ( 0.000 0.000 13.762) 13.762 3.341 ( 0.000 0.000 13.409) 13.409 3.490 ( 0.000 0.000 -3.734) 3.734 3.519 ( 0.000 0.000 14.039) 14.039 3.621 ( 0.000 0.000 -2.170) 2.170 3.662 ( 0.000 0.000 13.075) 13.075 3.707 ( 0.000 0.000 -3.704) 3.704 3.752 ( 0.000 0.000 -2.090) 2.090 3.827 ( 0.000 0.000 -3.972) 3.972 3.840 ( 0.000 0.000 1.708) 1.708 4.369 ( 0.000 0.000 9.626) 9.626 5.279 ( 0.000 0.000 -1.636) 1.636 9.614 ( 0.000 0.000 -1.186) 1.186 9.831 ( 0.000 0.000 -3.520) 3.520 13.203 ( 0.000 0.000 0.098) 0.098 13.262 ( 0.000 0.000 -1.267) 1.267 14.217 ( 0.000 0.000 4.574) 4.574 14.661 ( 0.000 0.000 0.282) 0.282 16.346 ( 0.000 0.000 -0.118) 0.118 16.436 ( 0.000 0.000 -1.168) 1.168 21.955 ( 0.000 0.000 -1.927) 1.927 22.109 ( 0.000 0.000 -3.520) 3.520 25.098 ( 0.000 0.000 1.295) 1.295 25.099 ( 0.000 0.000 1.281) 1.281 25.288 ( 0.000 0.000 -0.542) 0.542 25.317 ( 0.000 0.000 -0.649) 0.649 39.048 ( 0.000 0.000 -2.248) 2.248 39.390 ( 0.000 0.000 -5.564) 5.564 41.675 ( 0.000 0.000 -1.255) 1.255 41.689 ( 0.000 0.000 -1.231) 1.231 48.048 ( 0.000 0.000 -3.917) 3.917 48.221 ( 0.000 0.000 -5.938) 5.938 48.614 ( 0.000 0.000 -13.723) 13.723 48.645 ( 0.000 0.000 -11.169) 11.169 ======================= Grid point 91 (32/120) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 17.081 0.000 10.594) 20.100 0.929 ( 25.091 0.000 9.531) 26.840 1.491 ( 7.489 0.000 30.912) 31.806 1.622 ( -1.806 0.000 13.150) 13.273 1.682 ( 0.869 0.000 19.974) 19.993 1.845 ( 4.087 0.000 2.698) 4.897 1.855 ( -4.535 0.000 7.525) 8.786 2.114 ( -1.037 0.000 12.569) 12.611 2.448 ( 11.584 0.000 0.128) 11.585 2.521 ( 0.042 0.000 0.465) 0.467 2.719 ( -2.198 0.000 -3.337) 3.996 2.872 ( -1.254 0.000 4.450) 4.623 2.916 ( 1.758 0.000 6.176) 6.422 2.941 ( -2.612 0.000 15.682) 15.898 3.293 ( 1.374 0.000 13.931) 13.998 3.310 ( -1.392 0.000 14.372) 14.440 3.454 ( -3.209 0.000 -1.448) 3.520 3.523 ( 0.093 0.000 11.594) 11.595 3.561 ( -4.217 0.000 -1.866) 4.612 3.662 ( 0.875 0.000 8.121) 8.168 3.763 ( 0.897 0.000 2.341) 2.507 3.782 ( 0.379 0.000 -0.018) 0.379 3.892 ( 6.311 0.000 1.812) 6.565 3.904 ( 6.496 0.000 -2.934) 7.128 4.307 ( -5.972 0.000 10.497) 12.077 5.169 ( -9.328 0.000 -2.555) 9.671 9.601 ( -1.111 0.000 -0.919) 1.442 9.812 ( -1.868 0.000 -3.275) 3.770 13.218 ( 1.471 0.000 -0.163) 1.480 13.267 ( 0.487 0.000 -1.279) 1.369 14.216 ( -0.068 0.000 4.503) 4.503 14.521 ( -10.461 0.000 5.610) 11.870 16.336 ( -0.621 0.000 -0.410) 0.744 16.403 ( -2.952 0.000 -0.761) 3.048 21.965 ( 0.941 0.000 -1.994) 2.205 22.118 ( 0.339 0.000 -4.403) 4.416 25.099 ( 0.005 0.000 1.278) 1.278 25.099 ( 0.030 0.000 1.281) 1.281 25.287 ( 0.025 0.000 -0.656) 0.657 25.309 ( -0.728 0.000 -0.521) 0.895 39.071 ( 2.171 0.000 -2.386) 3.225 39.423 ( 1.461 0.000 -7.337) 7.481 41.676 ( 0.084 0.000 -1.237) 1.240 41.681 ( -0.561 0.000 -1.240) 1.361 48.047 ( 0.905 0.000 -4.792) 4.876 48.197 ( -1.598 0.000 -6.022) 6.231 48.783 ( 12.611 0.000 -12.756) 17.938 49.056 ( 32.442 0.000 -30.566) 44.573 ======================= Grid point 92 (33/120) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 17.237 0.000 5.714) 18.159 1.308 ( 12.038 0.000 15.938) 19.973 1.568 ( -3.049 0.000 4.654) 5.564 1.700 ( 0.573 0.000 21.653) 21.660 1.758 ( 11.039 0.000 16.436) 19.799 1.842 ( 10.358 0.000 16.438) 19.430 1.877 ( -0.429 0.000 5.712) 5.728 2.080 ( -2.218 0.000 9.356) 9.615 2.522 ( -0.373 0.000 0.093) 0.385 2.615 ( -1.846 0.000 -1.939) 2.677 2.702 ( 6.386 0.000 -2.584) 6.889 2.812 ( -3.290 0.000 12.854) 13.269 2.877 ( -3.604 0.000 14.872) 15.303 3.017 ( 5.699 0.000 -2.836) 6.366 3.302 ( 0.435 0.000 14.575) 14.582 3.344 ( 1.643 0.000 8.389) 8.548 3.387 ( -0.511 0.000 1.471) 1.557 3.482 ( -2.968 0.000 -1.494) 3.323 3.545 ( 2.259 0.000 11.841) 12.054 3.685 ( 0.581 0.000 1.912) 1.999 3.734 ( -4.571 0.000 -0.928) 4.665 3.784 ( 1.570 0.000 10.098) 10.220 3.966 ( 0.234 0.000 11.412) 11.415 4.052 ( 8.474 0.000 -2.191) 8.752 4.149 ( -9.416 0.000 12.943) 16.006 4.975 ( -9.625 0.000 -6.377) 11.546 9.581 ( -0.545 0.000 -0.478) 0.725 9.761 ( -3.181 0.000 -2.604) 4.111 13.255 ( 1.992 0.000 -0.823) 2.156 13.280 ( 0.736 0.000 -1.328) 1.519 14.216 ( 0.057 0.000 4.378) 4.379 14.351 ( -6.154 0.000 7.121) 9.412 16.326 ( -0.484 0.000 -1.177) 1.272 16.340 ( -2.909 0.000 -0.164) 2.913 21.990 ( 1.477 0.000 -2.169) 2.624 22.111 ( -1.014 0.000 -4.251) 4.370 25.099 ( 0.005 0.000 1.272) 1.272 25.099 ( 0.003 0.000 1.279) 1.279 25.290 ( 0.187 0.000 -0.990) 1.008 25.294 ( -0.712 0.000 -0.305) 0.774 39.126 ( 3.177 0.000 -2.641) 4.131 39.411 ( -2.512 0.000 -6.405) 6.880 41.674 ( -0.112 0.000 -1.457) 1.461 41.678 ( 0.081 0.000 -1.208) 1.211 48.081 ( 2.205 0.000 -6.182) 6.563 48.176 ( -0.600 0.000 -6.543) 6.570 49.087 ( 16.786 0.000 -16.339) 23.425 49.564 ( 16.559 0.000 -35.941) 39.572 ======================= Grid point 93 (34/120) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 8.220 0.000 2.856) 8.702 1.484 ( 6.087 0.000 21.617) 22.457 1.522 ( -0.448 0.000 1.643) 1.703 1.687 ( -2.012 0.000 22.797) 22.886 1.809 ( 1.551 0.000 19.029) 19.092 1.871 ( -0.308 0.000 13.127) 13.131 2.075 ( 3.926 0.000 4.124) 5.695 2.215 ( 16.523 0.000 4.387) 17.095 2.478 ( -9.903 0.000 -1.189) 9.974 2.497 ( -2.184 0.000 0.276) 2.201 2.763 ( -1.479 0.000 12.779) 12.864 2.801 ( -2.648 0.000 15.573) 15.796 2.858 ( 6.643 0.000 -4.020) 7.765 3.070 ( -0.757 0.000 -1.815) 1.967 3.334 ( 2.657 0.000 13.597) 13.854 3.339 ( 1.567 0.000 -2.021) 2.558 3.444 ( 1.541 0.000 7.987) 8.134 3.467 ( 1.578 0.000 -1.548) 2.211 3.591 ( 0.977 0.000 5.448) 5.535 3.613 ( -7.113 0.000 -2.534) 7.551 3.688 ( 1.115 0.000 5.715) 5.822 3.830 ( 2.764 0.000 15.195) 15.444 3.917 ( -5.796 0.000 15.111) 16.185 3.969 ( -6.741 0.000 15.975) 17.339 4.258 ( 12.655 0.000 -2.237) 12.851 4.777 ( -10.955 0.000 -6.720) 12.852 9.587 ( 1.192 0.000 -0.400) 1.257 9.692 ( -3.539 0.000 -1.698) 3.925 13.288 ( 1.184 0.000 -1.310) 1.766 13.294 ( 0.595 0.000 -1.414) 1.534 14.220 ( 0.404 0.000 4.405) 4.424 14.268 ( -2.617 0.000 5.782) 6.347 16.301 ( -0.933 0.000 -0.212) 0.956 16.314 ( -0.765 0.000 -1.350) 1.552 22.021 ( 1.612 0.000 -2.433) 2.918 22.084 ( -1.536 0.000 -3.462) 3.788 25.099 ( 0.004 0.000 1.266) 1.266 25.099 ( -0.009 0.000 1.274) 1.275 25.285 ( -0.158 0.000 -0.292) 0.332 25.291 ( -0.136 0.000 -0.940) 0.950 39.192 ( 3.469 0.000 -2.902) 4.522 39.342 ( -3.977 0.000 -4.541) 6.037 41.675 ( 0.121 0.000 -1.471) 1.476 41.679 ( -0.019 0.000 -1.228) 1.228 48.124 ( 1.966 0.000 -7.205) 7.468 48.168 ( -0.367 0.000 -7.259) 7.268 49.408 ( 14.777 0.000 -20.513) 25.282 49.727 ( 1.089 0.000 -30.527) 30.547 ======================= Grid point 94 (35/120) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -1.663 0.000 2.558) 3.051 1.484 ( 1.663 0.000 2.558) 3.051 1.619 ( -5.029 0.000 21.685) 22.260 1.619 ( 5.029 0.000 21.685) 22.260 1.845 ( -1.924 0.000 18.254) 18.355 1.845 ( 1.924 0.000 18.254) 18.355 2.251 ( -11.837 0.000 0.213) 11.839 2.251 ( 11.837 0.000 0.213) 11.839 2.426 ( -5.716 0.000 0.826) 5.776 2.426 ( 5.716 0.000 0.826) 5.776 2.758 ( -1.099 0.000 13.537) 13.581 2.758 ( 1.099 0.000 13.537) 13.581 2.997 ( -6.278 0.000 -2.682) 6.826 2.997 ( 6.278 0.000 -2.682) 6.826 3.377 ( -0.542 0.000 8.825) 8.842 3.377 ( 0.542 0.000 8.825) 8.842 3.468 ( -3.813 0.000 -0.295) 3.825 3.468 ( 3.813 0.000 -0.295) 3.825 3.550 ( -3.649 0.000 -2.692) 4.535 3.550 ( 3.649 0.000 -2.692) 4.535 3.771 ( -6.664 0.000 14.447) 15.910 3.771 ( 6.664 0.000 14.447) 15.910 3.888 ( -3.149 0.000 16.671) 16.966 3.888 ( 3.149 0.000 16.671) 16.966 4.530 ( -13.781 0.000 -4.243) 14.420 4.530 ( 13.781 0.000 -4.243) 14.420 9.628 ( -2.805 0.000 -0.860) 2.934 9.628 ( 2.805 0.000 -0.860) 2.934 13.300 ( -0.074 0.000 -1.460) 1.462 13.300 ( 0.074 0.000 -1.460) 1.462 14.234 ( -1.075 0.000 4.802) 4.921 14.234 ( 1.075 0.000 4.802) 4.921 16.299 ( -0.546 0.000 -0.835) 0.998 16.299 ( 0.546 0.000 -0.835) 0.998 22.053 ( -1.603 0.000 -2.834) 3.256 22.053 ( 1.603 0.000 -2.834) 3.256 25.099 ( -0.006 0.000 1.266) 1.266 25.099 ( 0.006 0.000 1.266) 1.266 25.286 ( -0.249 0.000 -0.577) 0.628 25.286 ( 0.249 0.000 -0.577) 0.628 39.264 ( -3.813 0.000 -3.405) 5.112 39.264 ( 3.813 0.000 -3.405) 5.112 41.677 ( -0.124 0.000 -1.335) 1.340 41.677 ( 0.124 0.000 -1.335) 1.340 48.155 ( -1.060 0.000 -7.588) 7.662 48.155 ( 1.060 0.000 -7.588) 7.662 49.645 ( -8.666 0.000 -25.054) 26.511 49.645 ( 8.666 0.000 -25.054) 26.511 ======================= Grid point 99 (36/120) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 0.000 12.227 12.644) 17.589 0.915 ( 0.000 19.515 9.100) 21.532 1.452 ( 0.000 -1.923 14.379) 14.507 1.513 ( 0.000 -6.446 19.935) 20.951 1.608 ( 0.000 -2.950 19.319) 19.543 1.780 ( 0.000 5.151 15.046) 15.903 1.993 ( 0.000 -1.363 9.220) 9.320 2.214 ( 0.000 8.389 3.597) 9.128 2.223 ( 0.000 -7.884 4.335) 8.997 2.507 ( 0.000 -1.915 0.315) 1.941 2.700 ( 0.000 -2.384 -2.295) 3.309 2.759 ( 0.000 -7.628 -3.357) 8.334 2.931 ( 0.000 0.323 16.113) 16.116 2.962 ( 0.000 -0.661 15.622) 15.636 3.324 ( 0.000 2.582 15.429) 15.643 3.332 ( 0.000 -0.392 14.762) 14.767 3.501 ( 0.000 0.119 -1.841) 1.845 3.503 ( 0.000 -0.742 14.197) 14.216 3.569 ( 0.000 -5.284 -2.138) 5.701 3.639 ( 0.000 -2.342 12.767) 12.980 3.747 ( 0.000 8.056 -2.134) 8.334 3.794 ( 0.000 1.839 -4.236) 4.618 3.833 ( 0.000 0.538 -3.908) 3.945 3.883 ( 0.000 1.411 4.575) 4.787 4.538 ( 0.000 12.495 4.795) 13.383 5.121 ( 0.000 -12.042 0.489) 12.052 9.646 ( 0.000 2.762 -1.474) 3.131 9.800 ( 0.000 -2.692 -3.122) 4.123 13.201 ( 0.000 0.184 -0.047) 0.190 13.248 ( 0.000 -1.148 -1.170) 1.640 14.239 ( 0.000 2.067 5.157) 5.556 14.498 ( 0.000 -10.428 5.936) 11.999 16.348 ( 0.000 0.640 -0.302) 0.708 16.418 ( 0.000 -1.523 -1.130) 1.897 22.022 ( 0.000 4.042 -4.576) 6.106 22.105 ( 0.000 -0.398 -3.885) 3.905 25.099 ( 0.000 0.055 1.305) 1.306 25.100 ( 0.000 0.068 1.275) 1.277 25.292 ( 0.000 0.360 -0.562) 0.668 25.313 ( 0.000 -0.360 -0.650) 0.743 39.188 ( 0.000 8.715 -7.171) 11.286 39.380 ( 0.000 -1.074 -6.112) 6.205 41.674 ( 0.000 -0.087 -1.314) 1.316 41.680 ( 0.000 -0.528 -1.204) 1.315 48.100 ( 0.000 4.927 -4.900) 6.949 48.449 ( 0.000 -8.999 -9.859) 13.348 48.458 ( 0.000 14.953 -15.169) 21.300 48.733 ( 0.000 2.020 -15.048) 15.183 ======================= Grid point 100 (37/120) ======================= q-point: ( 0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 11.169 7.573 9.588) 16.554 1.116 ( 13.374 8.370 11.050) 19.262 1.507 ( 0.643 -7.216 10.871) 13.063 1.552 ( 6.816 -2.065 14.930) 16.541 1.663 ( 7.230 5.288 22.876) 24.567 1.786 ( 0.783 4.103 15.207) 15.770 1.964 ( -2.181 0.003 9.963) 10.199 2.172 ( -1.061 5.815 6.478) 8.770 2.353 ( 6.677 -7.496 0.309) 10.043 2.528 ( 3.281 -2.217 0.231) 3.966 2.683 ( -1.498 -1.350 -2.430) 3.158 2.786 ( 3.021 -7.742 -3.287) 8.936 2.900 ( -2.695 0.105 15.562) 15.794 2.931 ( -2.754 -0.824 15.339) 15.606 3.321 ( -0.409 0.823 14.975) 15.003 3.326 ( 0.532 2.025 14.797) 14.944 3.463 ( -3.648 -0.568 -1.142) 3.864 3.495 ( -2.739 -2.106 4.865) 5.967 3.521 ( -0.344 -1.123 7.953) 8.040 3.673 ( 1.782 -2.152 12.028) 12.348 3.759 ( 0.771 5.344 -2.341) 5.885 3.842 ( 0.224 1.956 -0.927) 2.176 3.908 ( 6.815 1.172 1.022) 6.990 3.917 ( 4.784 0.806 0.722) 4.905 4.470 ( -6.465 12.016 5.129) 14.577 5.030 ( -8.047 -11.033 -0.963) 13.689 9.633 ( -1.116 2.764 -1.222) 3.221 9.783 ( -1.613 -2.524 -2.908) 4.175 13.217 ( 1.534 0.233 -0.378) 1.597 13.258 ( 0.851 -0.844 -1.305) 1.772 14.235 ( -0.351 1.757 5.015) 5.326 14.426 ( -5.840 -6.610 6.970) 11.242 16.329 ( -1.465 0.006 -0.081) 1.467 16.387 ( -2.703 -1.437 -0.760) 3.154 22.011 ( -0.561 3.189 -3.324) 4.641 22.108 ( -0.158 -0.969 -4.375) 4.484 25.099 ( -0.014 0.038 1.294) 1.295 25.100 ( -0.014 0.038 1.285) 1.286 25.293 ( 0.146 0.496 -0.732) 0.897 25.311 ( -0.306 -0.007 -0.741) 0.802 39.176 ( -0.298 7.400 -5.063) 8.971 39.400 ( 0.662 -2.178 -7.138) 7.492 41.675 ( 0.075 -0.102 -1.305) 1.311 41.677 ( -0.266 -0.263 -1.299) 1.352 48.097 ( 0.321 4.211 -5.528) 6.957 48.246 ( -5.103 1.646 -7.517) 9.233 48.809 ( 15.218 2.986 -15.249) 21.749 49.015 ( 25.875 -3.521 -26.414) 37.143 ======================= Grid point 101 (38/120) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 14.893 0.315 5.825) 15.994 1.322 ( 8.202 -1.482 14.155) 16.427 1.513 ( 0.643 -3.000 11.104) 11.520 1.625 ( 2.192 -4.908 19.269) 20.005 1.804 ( 0.959 1.429 16.118) 16.210 1.910 ( -3.145 0.079 11.481) 11.904 1.955 ( 13.675 11.313 10.577) 20.660 2.151 ( 2.575 7.870 4.932) 9.638 2.390 ( -2.844 -8.765 0.616) 9.236 2.637 ( -1.060 -1.812 -2.581) 3.327 2.688 ( 8.476 0.777 -1.635) 8.668 2.814 ( -2.427 -0.572 11.584) 11.850 2.861 ( -3.371 -1.155 15.357) 15.765 2.927 ( 7.225 -8.304 -1.079) 11.060 3.316 ( -0.036 1.558 14.951) 15.032 3.360 ( 2.164 0.331 12.262) 12.456 3.374 ( -3.250 -0.432 -0.184) 3.284 3.445 ( -1.529 -1.685 -0.398) 2.310 3.552 ( 2.506 0.869 12.541) 12.819 3.707 ( 0.896 -0.330 8.252) 8.307 3.751 ( -1.370 1.744 3.210) 3.902 3.813 ( -2.704 2.747 0.308) 3.866 3.993 ( 0.877 1.997 9.682) 9.925 4.028 ( 4.516 0.005 2.005) 4.941 4.318 ( -7.027 11.418 4.751) 14.224 4.858 ( -8.498 -9.824 -4.828) 13.858 9.612 ( -0.740 2.591 -0.800) 2.811 9.740 ( -2.601 -1.870 -2.352) 3.974 13.254 ( 1.882 0.118 -0.995) 2.132 13.277 ( 0.948 -0.369 -1.435) 1.759 14.227 ( -0.303 1.092 4.724) 4.858 14.319 ( -4.290 -2.427 6.716) 8.331 16.303 ( -1.112 -0.958 -0.236) 1.487 16.333 ( -2.278 -1.081 -0.425) 2.557 22.010 ( 0.440 1.673 -2.534) 3.068 22.094 ( -1.085 -1.418 -3.940) 4.326 25.099 ( -0.002 0.011 1.278) 1.278 25.099 ( -0.022 0.005 1.287) 1.287 25.297 ( 0.115 0.523 -0.954) 1.094 25.302 ( -0.445 0.513 -0.732) 0.999 39.187 ( 1.259 4.832 -3.624) 6.170 39.382 ( -2.242 -2.560 -6.014) 6.910 41.674 ( -0.018 -0.018 -1.465) 1.465 41.677 ( 0.091 -0.109 -1.283) 1.291 48.119 ( 1.665 2.991 -6.715) 7.538 48.194 ( -1.020 0.919 -7.183) 7.313 49.127 ( 16.420 3.858 -17.822) 24.539 49.461 ( 16.373 -8.277 -31.110) 36.117 ======================= Grid point 102 (39/120) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 9.646 -1.429 3.416) 10.333 1.478 ( 7.644 -2.634 11.877) 14.368 1.535 ( 0.953 1.964 11.952) 12.150 1.658 ( 0.467 -2.310 22.426) 22.549 1.826 ( 0.888 0.220 18.202) 18.225 1.849 ( -1.766 -0.822 12.352) 12.505 1.991 ( -1.175 -1.894 7.270) 7.604 2.259 ( -7.898 -10.472 1.336) 13.184 2.400 ( 11.070 10.010 0.680) 14.940 2.592 ( -2.571 2.317 -1.613) 3.818 2.760 ( -1.745 -0.229 12.040) 12.168 2.791 ( -3.000 -1.255 13.620) 14.003 2.870 ( 9.296 2.169 -0.769) 9.577 3.078 ( 4.839 -2.393 -4.270) 6.883 3.320 ( 0.982 0.177 11.714) 11.757 3.362 ( 1.986 1.116 3.855) 4.478 3.403 ( 2.001 -1.996 7.953) 8.440 3.451 ( 2.019 -1.343 -1.151) 2.684 3.609 ( 2.730 0.430 11.212) 11.548 3.643 ( -6.026 4.458 -2.116) 7.789 3.741 ( -4.273 2.199 0.292) 4.815 3.752 ( 0.054 -4.297 14.059) 14.701 3.965 ( -2.665 2.622 15.178) 15.631 4.003 ( -5.480 1.754 12.943) 14.165 4.321 ( 7.196 5.784 -1.351) 9.331 4.693 ( -8.650 -7.178 -5.510) 12.519 9.610 ( 0.652 1.913 -0.671) 2.130 9.686 ( -2.741 -0.698 -1.624) 3.261 13.284 ( 1.107 -0.112 -1.367) 1.763 13.293 ( 0.577 -0.188 -1.494) 1.613 14.225 ( 0.098 0.470 4.562) 4.587 14.259 ( -2.000 -0.754 5.532) 5.930 16.286 ( -0.432 -0.821 -0.243) 0.959 16.303 ( -0.959 -0.990 -0.794) 1.591 22.025 ( 0.971 0.448 -2.471) 2.692 22.070 ( -1.250 -1.131 -3.211) 3.627 25.099 ( 0.006 0.001 1.267) 1.267 25.099 ( -0.014 -0.003 1.275) 1.276 25.294 ( -0.160 0.657 -0.566) 0.881 25.298 ( -0.146 0.499 -0.992) 1.120 39.221 ( 2.029 2.344 -3.214) 4.466 39.326 ( -3.127 -1.476 -4.341) 5.550 41.675 ( 0.118 0.029 -1.455) 1.460 41.678 ( 0.013 -0.075 -1.282) 1.285 48.153 ( 1.596 2.174 -7.696) 8.155 48.185 ( -0.201 1.133 -7.759) 7.844 49.425 ( 12.950 1.901 -21.055) 24.792 49.651 ( 3.360 -6.167 -28.066) 28.932 ======================= Grid point 103 (40/120) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -4.225 1.346 2.613) 5.147 1.498 ( 4.225 1.346 2.613) 5.147 1.615 ( -4.849 -0.626 20.994) 21.556 1.615 ( 4.849 -0.626 20.994) 21.556 1.834 ( -1.218 -0.588 17.805) 17.856 1.834 ( 1.218 -0.588 17.805) 17.856 2.074 ( -8.922 -9.655 3.409) 13.581 2.074 ( 8.922 -9.655 3.409) 13.581 2.535 ( -3.669 4.744 -1.273) 6.131 2.535 ( 3.669 4.744 -1.273) 6.131 2.749 ( -0.862 -0.792 12.908) 12.961 2.749 ( 0.862 -0.792 12.908) 12.961 3.054 ( -6.847 4.437 -2.877) 8.651 3.054 ( 6.847 4.437 -2.877) 8.651 3.363 ( -2.228 -1.390 9.634) 9.986 3.363 ( 2.228 -1.390 9.634) 9.986 3.470 ( -3.797 0.337 -0.180) 3.816 3.470 ( 3.797 0.337 -0.180) 3.816 3.587 ( -4.578 2.525 -1.694) 5.496 3.587 ( 4.578 2.525 -1.694) 5.496 3.718 ( -2.708 -2.979 12.776) 13.396 3.718 ( 2.708 -2.979 12.776) 13.396 3.937 ( -0.923 2.665 16.592) 16.830 3.937 ( 0.923 2.665 16.592) 16.830 4.505 ( -10.081 -1.815 -3.390) 10.789 4.505 ( 10.081 -1.815 -3.390) 10.789 9.638 ( -2.015 0.704 -0.981) 2.349 9.638 ( 2.015 0.704 -0.981) 2.349 13.297 ( -0.183 -0.195 -1.494) 1.517 13.297 ( 0.183 -0.195 -1.494) 1.517 14.233 ( -0.758 -0.051 4.774) 4.834 14.233 ( 0.758 -0.051 4.774) 4.834 16.288 ( -0.545 -0.785 -0.630) 1.144 16.288 ( 0.545 -0.785 -0.630) 1.144 22.046 ( -1.150 -0.455 -2.713) 2.982 22.046 ( 1.150 -0.455 -2.713) 2.982 25.099 ( -0.008 -0.001 1.267) 1.267 25.099 ( 0.008 -0.001 1.267) 1.267 25.294 ( -0.166 0.570 -0.721) 0.934 25.294 ( 0.166 0.570 -0.721) 0.934 39.267 ( -2.683 0.241 -3.408) 4.344 39.267 ( 2.683 0.241 -3.408) 4.344 41.677 ( -0.089 -0.014 -1.349) 1.352 41.677 ( 0.089 -0.014 -1.349) 1.352 48.177 ( -0.768 1.599 -8.069) 8.261 48.177 ( 0.768 1.599 -8.069) 8.261 49.618 ( -6.137 -1.963 -24.342) 25.180 49.618 ( 6.137 -1.963 -24.342) 25.180 ======================= Grid point 108 (41/120) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.000 -10.999 9.760) 14.705 1.024 ( 0.000 10.999 9.760) 14.705 1.385 ( 0.000 -3.995 13.936) 14.497 1.385 ( 0.000 3.995 13.936) 14.497 1.842 ( 0.000 -8.364 12.282) 14.859 1.842 ( 0.000 8.364 12.282) 14.859 1.952 ( 0.000 -5.986 13.531) 14.796 1.952 ( 0.000 5.986 13.531) 14.796 2.400 ( 0.000 -7.438 -0.532) 7.457 2.400 ( 0.000 7.438 -0.532) 7.457 2.668 ( 0.000 -0.138 -1.007) 1.017 2.668 ( 0.000 0.138 -1.007) 1.017 2.944 ( 0.000 -0.798 15.661) 15.681 2.944 ( 0.000 0.798 15.661) 15.681 3.336 ( 0.000 -0.732 16.578) 16.594 3.336 ( 0.000 0.732 16.578) 16.594 3.508 ( 0.000 -0.787 0.851) 1.159 3.508 ( 0.000 0.787 0.850) 1.159 3.558 ( 0.000 -4.379 10.397) 11.281 3.558 ( 0.000 4.379 10.397) 11.281 3.824 ( 0.000 -0.518 -3.953) 3.986 3.824 ( 0.000 0.518 -3.953) 3.986 3.877 ( 0.000 -2.267 3.150) 3.881 3.877 ( 0.000 2.267 3.150) 3.881 4.832 ( 0.000 -13.509 1.364) 13.577 4.832 ( 0.000 13.509 1.364) 13.577 9.723 ( 0.000 -3.900 -2.237) 4.496 9.723 ( 0.000 3.900 -2.237) 4.496 13.219 ( 0.000 -1.302 -0.736) 1.496 13.219 ( 0.000 1.302 -0.736) 1.496 14.318 ( 0.000 -5.558 6.644) 8.662 14.318 ( 0.000 5.558 6.644) 8.662 16.378 ( 0.000 -1.843 -0.880) 2.042 16.378 ( 0.000 1.843 -0.880) 2.042 22.085 ( 0.000 -1.661 -4.774) 5.054 22.085 ( 0.000 1.661 -4.774) 5.054 25.100 ( 0.000 -0.037 1.307) 1.307 25.100 ( 0.000 0.037 1.307) 1.307 25.303 ( 0.000 -0.537 -0.627) 0.826 25.303 ( 0.000 0.537 -0.627) 0.826 39.330 ( 0.000 -3.971 -7.573) 8.551 39.330 ( 0.000 3.971 -7.573) 8.551 41.674 ( 0.000 -0.090 -1.344) 1.347 41.674 ( 0.000 0.090 -1.344) 1.347 48.252 ( 0.000 -8.411 -7.106) 11.010 48.252 ( 0.000 8.411 -7.106) 11.010 48.697 ( 0.000 -5.910 -17.668) 18.630 48.697 ( 0.000 5.910 -17.668) 18.630 ======================= Grid point 110 (42/120) ======================= q-point: ( 0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 4.510 -10.952 8.066) 14.330 1.069 ( 4.510 10.952 8.066) 14.330 1.444 ( 4.351 -3.127 17.612) 18.409 1.444 ( 4.351 3.127 17.612) 18.409 1.875 ( 0.699 -2.742 12.877) 13.184 1.875 ( 0.699 2.742 12.877) 13.184 2.040 ( 10.712 -16.308 9.019) 21.495 2.040 ( 10.712 16.308 9.019) 21.495 2.379 ( -1.884 -8.920 0.488) 9.130 2.379 ( -1.884 8.920 0.488) 9.130 2.684 ( 1.506 -1.326 -1.887) 2.755 2.684 ( 1.506 1.326 -1.887) 2.755 2.911 ( -2.945 -0.839 15.466) 15.766 2.911 ( -2.945 0.839 15.466) 15.766 3.337 ( 0.141 -0.547 15.202) 15.213 3.337 ( 0.141 0.547 15.202) 15.213 3.456 ( -3.477 -0.933 1.441) 3.878 3.456 ( -3.477 0.933 1.441) 3.878 3.586 ( 1.794 -4.765 11.362) 12.450 3.586 ( 1.794 4.765 11.362) 12.450 3.853 ( 0.049 -1.626 -0.879) 1.849 3.853 ( 0.049 1.626 -0.879) 1.849 3.925 ( 5.980 -0.189 1.137) 6.090 3.925 ( 5.980 0.189 1.137) 6.090 4.754 ( -7.197 -13.109 0.913) 14.982 4.754 ( -7.197 13.109 0.913) 14.982 9.710 ( -1.244 -3.815 -2.016) 4.490 9.710 ( -1.244 3.815 -2.016) 4.490 13.234 ( 1.357 -1.139 -0.997) 2.033 13.234 ( 1.357 1.139 -0.997) 2.033 14.300 ( -1.667 -4.321 6.369) 7.875 14.300 ( -1.667 4.321 6.369) 7.875 16.349 ( -2.403 -1.668 -0.412) 2.954 16.349 ( -2.403 1.668 -0.412) 2.954 22.073 ( -1.008 -2.210 -4.167) 4.823 22.073 ( -1.008 2.210 -4.167) 4.823 25.100 ( -0.036 -0.036 1.304) 1.305 25.100 ( -0.036 0.036 1.304) 1.305 25.305 ( 0.162 -0.487 -0.830) 0.976 25.305 ( 0.162 0.487 -0.830) 0.976 39.321 ( -0.823 -5.112 -6.692) 8.461 39.321 ( -0.823 5.112 -6.692) 8.461 41.673 ( 0.006 -0.008 -1.381) 1.381 41.673 ( 0.006 0.008 -1.381) 1.381 48.205 ( -2.461 -4.619 -7.032) 8.766 48.205 ( -2.461 4.619 -7.032) 8.766 48.912 ( 17.564 -5.455 -20.166) 27.293 48.912 ( 17.564 5.455 -20.166) 27.293 ======================= Grid point 112 (43/120) ======================= q-point: ( 0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 8.588 -7.006 6.105) 12.653 1.201 ( 8.588 7.006 6.105) 12.653 1.526 ( 3.977 -3.433 20.878) 21.529 1.526 ( 3.977 3.433 20.878) 21.529 1.862 ( -1.514 -3.214 14.274) 14.709 1.862 ( -1.514 3.214 14.274) 14.709 2.185 ( -2.791 -9.293 3.142) 10.199 2.185 ( -2.791 9.293 3.142) 10.199 2.445 ( 11.411 -15.259 0.795) 19.071 2.445 ( 11.411 15.259 0.795) 19.071 2.731 ( 3.871 -3.201 -1.849) 5.352 2.731 ( 3.871 3.201 -1.849) 5.352 2.848 ( -2.607 -0.611 14.593) 14.836 2.848 ( -2.607 0.611 14.593) 14.836 3.344 ( 0.636 -1.186 11.926) 12.002 3.344 ( 0.636 1.186 11.926) 12.002 3.403 ( -1.515 -2.204 2.643) 3.760 3.403 ( -1.515 2.204 2.643) 3.760 3.620 ( 1.615 -4.684 12.510) 13.455 3.620 ( 1.615 4.684 12.510) 13.455 3.827 ( -2.554 -1.784 0.362) 3.136 3.827 ( -2.554 1.784 0.362) 3.136 4.029 ( 2.608 -0.739 4.821) 5.531 4.029 ( 2.608 0.739 4.821) 5.531 4.594 ( -7.481 -13.023 -1.003) 15.052 4.594 ( -7.481 13.023 -1.003) 15.052 9.681 ( -1.470 -3.273 -1.593) 3.925 9.681 ( -1.470 3.273 -1.593) 3.925 13.264 ( 1.452 -0.686 -1.356) 2.102 13.264 ( 1.452 0.686 -1.356) 2.102 14.264 ( -1.640 -2.234 5.669) 6.310 14.264 ( -1.640 2.234 5.669) 6.310 16.304 ( -1.778 -1.023 -0.067) 2.052 16.304 ( -1.778 1.023 -0.067) 2.052 22.054 ( -0.809 -2.087 -3.247) 3.943 22.054 ( -0.809 2.087 -3.247) 3.943 25.099 ( -0.024 -0.025 1.289) 1.289 25.099 ( -0.024 0.025 1.289) 1.289 25.307 ( -0.048 -0.194 -1.005) 1.025 25.307 ( -0.048 0.194 -1.005) 1.025 39.300 ( -1.176 -4.766 -5.042) 7.037 39.300 ( -1.176 4.766 -5.042) 7.037 41.674 ( 0.082 -0.089 -1.415) 1.421 41.674 ( 0.082 0.089 -1.415) 1.421 48.183 ( 0.022 -2.111 -7.494) 7.786 48.183 ( 0.022 2.111 -7.494) 7.786 49.263 ( 15.983 -8.350 -22.929) 29.171 49.263 ( 15.983 8.350 -22.929) 29.171 ======================= Grid point 114 (44/120) ======================= q-point: ( 0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 9.712 -3.677 4.797) 11.439 1.389 ( 9.712 3.677 4.797) 11.439 1.596 ( 2.406 -3.138 20.396) 20.776 1.596 ( 2.406 3.138 20.396) 20.776 1.830 ( -1.146 -1.169 15.206) 15.294 1.830 ( -1.146 1.169 15.206) 15.294 2.055 ( -7.867 -6.979 4.949) 11.622 2.055 ( -7.867 6.979 4.949) 11.622 2.582 ( 1.652 -4.519 -2.834) 5.584 2.582 ( 1.652 4.519 -2.834) 5.584 2.762 ( -2.029 -0.828 13.084) 13.266 2.762 ( -2.029 0.828 13.084) 13.266 2.958 ( 12.912 -5.805 -1.550) 14.242 2.958 ( 12.912 5.805 -1.550) 14.242 3.353 ( -0.277 -1.893 13.415) 13.551 3.353 ( -0.277 1.893 13.415) 13.551 3.410 ( 2.582 -2.295 -0.788) 3.543 3.410 ( 2.582 2.295 -0.788) 3.543 3.647 ( 0.961 -3.396 11.742) 12.261 3.647 ( 0.961 3.396 11.742) 12.261 3.746 ( -5.661 -2.327 -0.562) 6.146 3.746 ( -5.661 2.327 -0.562) 6.146 4.010 ( -3.211 -1.139 12.829) 13.274 4.010 ( -3.211 1.139 12.829) 13.274 4.498 ( -2.279 -9.457 -2.672) 10.088 4.498 ( -2.279 9.457 -2.672) 10.088 9.657 ( -0.908 -1.932 -1.239) 2.468 9.657 ( -0.908 1.932 -1.239) 2.468 13.286 ( 0.790 -0.274 -1.500) 1.718 13.286 ( 0.790 0.274 -1.500) 1.718 14.240 ( -0.798 -0.845 5.000) 5.133 14.240 ( -0.798 0.845 5.000) 5.133 16.282 ( -0.568 -0.573 -0.269) 0.850 16.282 ( -0.568 0.573 -0.269) 0.850 22.043 ( -0.316 -1.149 -2.739) 2.987 22.043 ( -0.316 1.149 -2.739) 2.987 25.099 ( -0.005 -0.011 1.273) 1.273 25.099 ( -0.005 0.011 1.273) 1.273 25.304 ( -0.148 -0.104 -0.933) 0.951 25.304 ( -0.148 0.104 -0.933) 0.951 39.279 ( -0.829 -2.624 -3.828) 4.715 39.279 ( -0.829 2.624 -3.828) 4.715 41.676 ( 0.080 -0.079 -1.389) 1.393 41.676 ( 0.080 0.079 -1.389) 1.393 48.193 ( 0.616 -0.849 -8.240) 8.306 48.193 ( 0.616 0.849 -8.240) 8.306 49.508 ( 8.342 -5.690 -23.600) 25.669 49.508 ( 8.342 5.690 -23.600) 25.669 ======================= Grid point 116 (45/120) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -0.000 -0.000 1.221) 1.221 1.529 ( -0.000 0.000 1.221) 1.221 1.592 ( 0.000 -0.000 20.515) 20.515 1.592 ( -0.000 0.000 20.515) 20.515 1.834 ( 0.000 -0.000 17.951) 17.951 1.834 ( 0.000 0.000 17.951) 17.951 1.947 ( 0.000 0.000 6.059) 6.059 1.947 ( 0.000 0.000 6.059) 6.059 2.590 ( 0.000 -0.000 -3.040) 3.040 2.590 ( 0.000 0.000 -3.040) 3.040 2.736 ( 0.000 -0.000 13.575) 13.575 2.736 ( 0.000 0.000 13.575) 13.575 3.121 ( 0.000 -0.000 -5.196) 5.196 3.121 ( 0.000 0.000 -5.196) 5.196 3.342 ( 0.000 -0.000 14.182) 14.182 3.342 ( 0.000 0.000 14.182) 14.182 3.468 ( -0.000 -0.000 -1.916) 1.916 3.468 ( -0.000 0.000 -1.916) 1.916 3.630 ( 0.000 -0.000 -2.226) 2.226 3.630 ( 0.000 0.000 -2.226) 2.226 3.676 ( -0.000 -0.000 12.569) 12.569 3.676 ( -0.000 0.000 12.569) 12.569 3.969 ( 0.000 -0.000 16.243) 16.243 3.969 ( 0.000 0.000 16.243) 16.243 4.479 ( 0.000 0.000 -2.405) 2.405 4.479 ( 0.000 0.000 -2.405) 2.405 9.647 ( 0.000 0.000 -1.100) 1.100 9.647 ( 0.000 0.000 -1.100) 1.100 13.294 ( 0.000 0.000 -1.527) 1.527 13.294 ( 0.000 0.000 -1.527) 1.527 14.232 ( 0.000 0.000 4.745) 4.745 14.232 ( 0.000 0.000 4.745) 4.745 16.277 ( 0.000 0.000 -0.427) 0.427 16.277 ( 0.000 0.000 -0.427) 0.427 22.040 ( 0.000 0.000 -2.596) 2.596 22.040 ( 0.000 0.000 -2.596) 2.596 25.099 ( 0.000 0.000 1.267) 1.267 25.099 ( -0.000 0.000 1.267) 1.267 25.302 ( 0.000 0.000 -0.862) 0.862 25.302 ( 0.000 0.000 -0.862) 0.862 39.270 ( 0.000 0.000 -3.411) 3.411 39.270 ( 0.000 0.000 -3.411) 3.411 41.677 ( 0.000 0.000 -1.363) 1.363 41.677 ( 0.000 0.000 -1.363) 1.363 48.200 ( 0.000 0.000 -8.575) 8.575 48.200 ( 0.000 0.000 -8.575) 8.575 49.590 ( 0.000 0.000 -23.607) 23.607 49.590 ( 0.000 0.000 -23.607) 23.607 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 0.000 0.000 15.827) 15.827 0.913 ( 0.000 0.000 16.851) 16.851 1.842 ( 0.000 0.000 3.015) 3.015 1.863 ( 0.000 0.000 5.278) 5.278 1.906 ( 0.000 0.000 8.962) 8.962 2.029 ( 0.000 0.000 15.565) 15.565 2.155 ( 0.000 0.000 27.544) 27.544 2.404 ( 0.000 0.000 13.717) 13.717 2.438 ( 0.000 0.000 10.871) 10.871 2.511 ( 0.000 0.000 -2.211) 2.211 2.673 ( 0.000 0.000 -3.239) 3.239 2.794 ( 0.000 0.000 -0.662) 0.662 3.262 ( 0.000 0.000 16.020) 16.020 3.289 ( 0.000 0.000 14.817) 14.817 3.400 ( 0.000 0.000 -4.901) 4.901 3.548 ( 0.000 0.000 12.174) 12.174 3.562 ( 0.000 0.000 -0.927) 0.927 3.621 ( 0.000 0.000 -4.028) 4.028 3.628 ( 0.000 0.000 12.351) 12.351 3.652 ( 0.000 0.000 -1.379) 1.379 3.731 ( 0.000 0.000 -4.257) 4.257 3.795 ( 0.000 0.000 -4.679) 4.679 3.880 ( 0.000 0.000 15.677) 15.677 3.949 ( 0.000 0.000 14.425) 14.425 4.643 ( 0.000 0.000 16.152) 16.152 5.234 ( 0.000 0.000 -3.044) 3.044 9.587 ( 0.000 0.000 -1.444) 1.444 9.753 ( 0.000 0.000 -4.249) 4.249 13.205 ( 0.000 0.000 0.133) 0.133 13.237 ( 0.000 0.000 -1.200) 1.200 14.310 ( 0.000 0.000 4.638) 4.638 14.668 ( 0.000 0.000 0.355) 0.355 16.343 ( 0.000 0.000 -0.134) 0.134 16.412 ( 0.000 0.000 -1.190) 1.190 21.913 ( 0.000 0.000 -2.296) 2.296 22.034 ( 0.000 0.000 -3.866) 3.866 25.126 ( 0.000 0.000 1.468) 1.468 25.127 ( 0.000 0.000 1.507) 1.507 25.276 ( 0.000 0.000 -0.636) 0.636 25.303 ( 0.000 0.000 -0.782) 0.782 38.998 ( 0.000 0.000 -2.683) 2.683 39.272 ( 0.000 0.000 -6.153) 6.153 41.649 ( 0.000 0.000 -1.413) 1.413 41.662 ( 0.000 0.000 -1.494) 1.494 47.960 ( 0.000 0.000 -4.789) 4.789 48.088 ( 0.000 0.000 -7.254) 7.254 48.318 ( 0.000 0.000 -15.565) 15.565 48.403 ( 0.000 0.000 -12.819) 12.819 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.12 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 11.502 0.000 12.781) 17.194 1.137 ( 18.432 0.000 11.316) 21.629 1.722 ( -6.304 0.000 2.319) 6.717 1.908 ( 3.221 0.000 3.951) 5.097 2.018 ( 5.920 0.000 13.715) 14.938 2.048 ( 1.892 0.000 15.920) 16.032 2.179 ( 2.302 0.000 25.952) 26.054 2.371 ( -2.810 0.000 11.449) 11.789 2.505 ( 6.301 0.000 6.875) 9.326 2.528 ( 1.157 0.000 0.519) 1.268 2.653 ( -1.977 0.000 -3.204) 3.764 2.813 ( 2.093 0.000 -1.491) 2.570 3.218 ( -3.673 0.000 14.794) 15.243 3.261 ( -2.566 0.000 15.357) 15.570 3.381 ( -2.006 0.000 -3.260) 3.828 3.521 ( -3.070 0.000 -1.027) 3.237 3.549 ( -0.845 0.000 9.123) 9.162 3.594 ( -1.064 0.000 12.636) 12.681 3.638 ( 0.836 0.000 -0.283) 0.883 3.734 ( 1.646 0.000 -3.724) 4.071 3.763 ( 1.342 0.000 0.523) 1.440 3.837 ( 8.652 0.000 -5.103) 10.045 3.875 ( 2.160 0.000 11.837) 12.032 4.040 ( 6.692 0.000 15.576) 16.953 4.594 ( -4.808 0.000 16.522) 17.207 5.136 ( -9.006 0.000 -1.225) 9.089 9.580 ( -0.611 0.000 -1.147) 1.299 9.739 ( -1.317 0.000 -3.938) 4.153 13.215 ( 0.943 0.000 -0.133) 0.953 13.241 ( 0.403 0.000 -1.271) 1.334 14.308 ( -0.141 0.000 4.628) 4.630 14.597 ( -6.171 0.000 2.579) 6.688 16.330 ( -1.167 0.000 -0.290) 1.202 16.387 ( -2.299 0.000 -0.842) 2.449 21.921 ( 0.803 0.000 -2.372) 2.504 22.034 ( -0.091 0.000 -4.049) 4.050 25.126 ( 0.015 0.000 1.458) 1.458 25.127 ( -0.002 0.000 1.503) 1.503 25.274 ( -0.164 0.000 -0.658) 0.678 25.298 ( -0.499 0.000 -0.655) 0.824 39.018 ( 1.932 0.000 -2.811) 3.411 39.284 ( 0.774 0.000 -6.624) 6.669 41.650 ( 0.101 0.000 -1.411) 1.415 41.654 ( -0.586 0.000 -1.406) 1.523 47.942 ( -0.602 0.000 -5.699) 5.731 48.063 ( -1.878 0.000 -7.322) 7.560 48.506 ( 9.392 0.000 -14.701) 17.445 48.548 ( 18.876 0.000 -22.187) 29.130 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.25 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 12.970 0.000 7.737) 15.102 1.487 ( 13.176 0.000 4.675) 13.980 1.639 ( -0.267 0.000 4.207) 4.216 1.953 ( 1.712 0.000 3.398) 3.805 2.093 ( 2.007 0.000 16.807) 16.926 2.124 ( 4.595 0.000 15.997) 16.644 2.251 ( 5.516 0.000 22.576) 23.240 2.308 ( -3.156 0.000 10.811) 11.263 2.542 ( 0.133 0.000 2.707) 2.710 2.581 ( -4.019 0.000 -1.394) 4.254 2.662 ( 7.050 0.000 0.373) 7.060 2.861 ( 1.651 0.000 -4.376) 4.677 3.156 ( -1.886 0.000 13.092) 13.227 3.195 ( -3.861 0.000 15.712) 16.180 3.316 ( -3.525 0.000 -1.955) 4.030 3.444 ( -3.468 0.000 -0.557) 3.512 3.548 ( 0.504 0.000 1.817) 1.886 3.601 ( 0.995 0.000 13.821) 13.857 3.673 ( 2.085 0.000 7.129) 7.427 3.677 ( -5.438 0.000 -3.927) 6.708 3.796 ( 2.854 0.000 5.243) 5.969 3.952 ( 4.860 0.000 7.023) 8.540 4.045 ( 8.512 0.000 -2.857) 8.979 4.188 ( 8.103 0.000 16.800) 18.653 4.462 ( -8.247 0.000 16.703) 18.628 4.928 ( -10.712 0.000 2.004) 10.898 9.570 ( -0.177 0.000 -0.630) 0.654 9.703 ( -2.238 0.000 -3.102) 3.825 13.238 ( 1.291 0.000 -0.798) 1.517 13.252 ( 0.599 0.000 -1.444) 1.564 14.307 ( 0.031 0.000 4.630) 4.630 14.470 ( -5.781 0.000 4.959) 7.617 16.306 ( -1.091 0.000 -0.855) 1.386 16.335 ( -2.579 0.000 -0.334) 2.600 21.942 ( 1.246 0.000 -2.565) 2.852 22.028 ( -0.568 0.000 -4.013) 4.053 25.127 ( 0.004 0.000 1.458) 1.458 25.127 ( -0.004 0.000 1.488) 1.488 25.272 ( 0.010 0.000 -0.802) 0.802 25.286 ( -0.547 0.000 -0.437) 0.701 39.068 ( 2.922 0.000 -3.059) 4.230 39.284 ( -1.031 0.000 -6.219) 6.304 41.645 ( -0.250 0.000 -1.434) 1.455 41.652 ( 0.080 0.000 -1.416) 1.418 47.946 ( 0.769 0.000 -7.286) 7.327 48.030 ( -1.386 0.000 -7.909) 8.029 48.731 ( 12.354 0.000 -18.913) 22.590 48.912 ( 15.371 0.000 -29.709) 33.450 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.38 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 5.778 0.000 3.808) 6.920 1.544 ( -1.077 0.000 1.322) 1.705 1.799 ( 10.280 0.000 9.480) 13.984 2.021 ( 5.116 0.000 6.586) 8.340 2.098 ( -1.102 0.000 12.309) 12.358 2.190 ( 2.244 0.000 17.917) 18.057 2.267 ( -0.781 0.000 14.522) 14.543 2.385 ( 6.650 0.000 11.873) 13.608 2.455 ( -8.314 0.000 -0.675) 8.341 2.531 ( -1.322 0.000 4.051) 4.261 2.791 ( 5.308 0.000 -1.665) 5.563 2.861 ( -0.851 0.000 -5.332) 5.400 3.122 ( -3.040 0.000 15.964) 16.251 3.134 ( -1.089 0.000 11.221) 11.273 3.294 ( 1.871 0.000 -1.838) 2.623 3.421 ( 1.365 0.000 -1.718) 2.194 3.531 ( -2.234 0.000 -2.303) 3.208 3.536 ( -7.820 0.000 -3.338) 8.503 3.627 ( 1.237 0.000 13.120) 13.178 3.695 ( -0.475 0.000 11.274) 11.284 3.894 ( 6.700 0.000 7.922) 10.376 4.057 ( 5.628 0.000 6.544) 8.631 4.125 ( -0.627 0.000 3.473) 3.529 4.290 ( -8.143 0.000 14.991) 17.060 4.362 ( 9.482 0.000 15.537) 18.202 4.736 ( -8.931 0.000 5.331) 10.402 9.578 ( 0.989 0.000 -0.509) 1.112 9.655 ( -2.503 0.000 -2.006) 3.208 13.260 ( 0.796 0.000 -1.410) 1.619 13.263 ( 0.480 0.000 -1.623) 1.693 14.312 ( 0.586 0.000 4.729) 4.765 14.380 ( -3.340 0.000 5.322) 6.283 16.288 ( -0.652 0.000 -1.180) 1.348 16.295 ( -1.340 0.000 -0.383) 1.394 21.968 ( 1.296 0.000 -2.831) 3.114 22.013 ( -0.930 0.000 -3.613) 3.731 25.126 ( -0.004 0.000 1.481) 1.481 25.127 ( -0.008 0.000 1.460) 1.460 25.273 ( 0.062 0.000 -0.814) 0.816 25.278 ( -0.282 0.000 -0.398) 0.488 39.129 ( 3.129 0.000 -3.334) 4.573 39.247 ( -2.529 0.000 -4.906) 5.519 41.645 ( 0.146 0.000 -1.514) 1.521 41.652 ( -0.077 0.000 -1.448) 1.450 47.965 ( 1.097 0.000 -8.576) 8.646 48.007 ( -1.032 0.000 -8.735) 8.796 48.962 ( 10.279 0.000 -23.590) 25.733 49.112 ( 4.787 0.000 -30.499) 30.872 ======================= Grid point 139 (50/120) ======================= q-point: (-0.50 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -1.098 0.000 2.218) 2.475 1.525 ( 1.098 0.000 2.218) 2.475 1.972 ( -7.097 0.000 11.888) 13.846 1.972 ( 7.097 0.000 11.888) 13.846 2.197 ( -4.169 0.000 11.950) 12.657 2.197 ( 4.169 0.000 11.950) 12.657 2.285 ( -5.361 0.000 8.041) 9.664 2.285 ( 5.361 0.000 8.041) 9.664 2.486 ( -3.425 0.000 5.515) 6.492 2.486 ( 3.425 0.000 5.515) 6.492 2.851 ( -0.743 0.000 -4.296) 4.360 2.851 ( 0.743 0.000 -4.296) 4.360 3.104 ( -1.306 0.000 13.937) 13.998 3.104 ( 1.306 0.000 13.937) 13.998 3.384 ( -6.696 0.000 -3.153) 7.401 3.384 ( 6.696 0.000 -3.153) 7.401 3.475 ( -3.154 0.000 -3.008) 4.359 3.475 ( 3.154 0.000 -3.008) 4.359 3.662 ( -2.191 0.000 12.725) 12.912 3.662 ( 2.191 0.000 12.725) 12.912 4.035 ( -6.981 0.000 9.478) 11.771 4.035 ( 6.981 0.000 9.478) 11.771 4.165 ( -5.192 0.000 9.192) 10.557 4.165 ( 5.192 0.000 9.192) 10.557 4.555 ( -9.606 0.000 10.330) 14.107 4.555 ( 9.606 0.000 10.330) 14.107 9.609 ( -2.042 0.000 -1.023) 2.284 9.609 ( 2.042 0.000 -1.023) 2.284 13.268 ( -0.021 0.000 -1.668) 1.668 13.268 ( 0.021 0.000 -1.668) 1.668 14.333 ( -1.589 0.000 4.998) 5.244 14.333 ( 1.589 0.000 4.998) 5.244 16.282 ( -0.077 0.000 -0.885) 0.888 16.282 ( 0.077 0.000 -0.885) 0.888 21.992 ( -1.148 0.000 -3.176) 3.377 21.992 ( 1.148 0.000 -3.176) 3.377 25.126 ( -0.003 0.000 1.470) 1.470 25.126 ( 0.003 0.000 1.470) 1.470 25.275 ( -0.081 0.000 -0.595) 0.601 25.275 ( 0.081 0.000 -0.595) 0.601 39.190 ( -3.037 0.000 -3.860) 4.912 39.190 ( 3.037 0.000 -3.860) 4.912 41.649 ( -0.222 0.000 -1.502) 1.518 41.649 ( 0.222 0.000 -1.502) 1.518 47.987 ( -1.028 0.000 -9.092) 9.150 47.987 ( 1.028 0.000 -9.092) 9.150 49.113 ( -4.311 0.000 -27.719) 28.052 49.113 ( 4.311 0.000 -27.719) 28.052 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.25 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.000 8.035 14.640) 16.700 1.101 ( 0.000 15.156 10.005) 18.161 1.597 ( 0.000 -11.284 6.081) 12.818 1.808 ( 0.000 -8.218 9.082) 12.248 2.060 ( 0.000 2.288 12.805) 13.008 2.069 ( 0.000 8.439 5.927) 10.312 2.165 ( 0.000 0.136 23.097) 23.097 2.372 ( 0.000 -4.776 7.692) 9.054 2.381 ( 0.000 -0.563 11.557) 11.570 2.519 ( 0.000 -1.336 3.113) 3.388 2.671 ( 0.000 0.200 0.035) 0.203 2.739 ( 0.000 -3.844 2.231) 4.445 3.256 ( 0.000 -0.461 15.096) 15.103 3.273 ( 0.000 -1.111 14.082) 14.125 3.451 ( 0.000 2.012 -2.441) 3.164 3.522 ( 0.000 -3.622 -1.513) 3.926 3.609 ( 0.000 4.333 11.673) 12.451 3.625 ( 0.000 2.516 12.068) 12.327 3.677 ( 0.000 7.500 -2.315) 7.849 3.704 ( 0.000 2.349 -3.143) 3.924 3.736 ( 0.000 0.196 -4.425) 4.430 3.805 ( 0.000 -1.916 12.159) 12.309 3.882 ( 0.000 1.008 -0.229) 1.034 3.916 ( 0.000 -3.100 13.922) 14.263 4.726 ( 0.000 6.846 12.690) 14.419 5.128 ( 0.000 -8.581 -0.014) 8.581 9.613 ( 0.000 2.192 -1.798) 2.835 9.730 ( 0.000 -1.954 -3.792) 4.266 13.202 ( 0.000 -0.110 0.082) 0.138 13.227 ( 0.000 -0.834 -0.978) 1.286 14.340 ( 0.000 2.716 4.839) 5.549 14.579 ( 0.000 -6.733 2.790) 7.289 16.344 ( 0.000 0.305 -0.164) 0.347 16.396 ( 0.000 -1.331 -1.038) 1.688 21.945 ( 0.000 2.433 -3.339) 4.132 22.026 ( 0.000 -0.819 -4.007) 4.090 25.127 ( 0.000 0.059 1.468) 1.469 25.128 ( 0.000 0.059 1.478) 1.479 25.280 ( 0.000 0.317 -0.654) 0.727 25.299 ( 0.000 -0.345 -0.769) 0.842 39.072 ( 0.000 5.545 -4.824) 7.350 39.254 ( 0.000 -1.741 -6.389) 6.622 41.647 ( 0.000 -0.107 -1.400) 1.404 41.655 ( 0.000 -0.494 -1.375) 1.461 47.991 ( 0.000 3.124 -5.951) 6.721 48.204 ( 0.000 8.361 -11.123) 13.915 48.228 ( 0.000 -6.019 -12.155) 13.563 48.427 ( 0.000 0.034 -15.197) 15.197 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.12 0.25 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 7.011 5.225 12.011) 14.857 1.291 ( 12.798 8.115 7.963) 17.119 1.597 ( 1.476 -5.846 4.731) 7.664 1.885 ( 6.209 -6.301 11.626) 14.608 2.024 ( -1.450 3.938 7.092) 8.241 2.121 ( 2.956 4.652 12.524) 13.683 2.191 ( 2.250 -0.169 21.260) 21.379 2.357 ( -1.689 0.116 9.456) 9.607 2.408 ( 2.698 -5.006 6.013) 8.276 2.564 ( 4.226 -1.163 4.915) 6.585 2.648 ( -1.887 0.541 -0.327) 1.990 2.754 ( 1.762 -4.577 1.250) 5.061 3.211 ( -3.635 -0.288 14.066) 14.530 3.243 ( -2.742 -1.371 14.341) 14.665 3.422 ( -2.564 1.546 -0.728) 3.082 3.475 ( -4.532 -3.133 0.027) 5.510 3.611 ( -1.020 4.303 7.807) 8.973 3.616 ( 0.461 2.742 13.728) 14.007 3.675 ( 1.306 5.653 -0.838) 5.862 3.755 ( 0.809 -0.333 0.183) 0.893 3.796 ( 1.062 1.661 3.779) 4.263 3.853 ( 9.580 0.743 -3.268) 10.149 3.890 ( 2.409 1.608 2.703) 3.961 3.985 ( 5.298 -4.482 13.762) 15.413 4.674 ( -4.937 6.500 13.668) 15.920 5.042 ( -7.986 -7.686 1.652) 11.206 9.606 ( -0.642 2.168 -1.516) 2.722 9.719 ( -1.131 -1.818 -3.510) 4.112 13.212 ( 0.956 -0.092 -0.213) 0.984 13.234 ( 0.620 -0.661 -1.132) 1.450 14.334 ( -0.495 2.353 4.823) 5.389 14.530 ( -4.352 -5.174 3.878) 7.794 16.327 ( -1.467 0.069 -0.115) 1.473 16.372 ( -2.141 -1.238 -0.731) 2.579 21.947 ( 0.227 2.019 -3.089) 3.697 22.024 ( -0.218 -0.947 -4.046) 4.161 25.127 ( -0.016 0.043 1.476) 1.477 25.128 ( -0.011 0.043 1.473) 1.474 25.279 ( -0.083 0.393 -0.713) 0.818 25.296 ( -0.291 -0.175 -0.752) 0.825 39.082 ( 1.028 4.930 -4.396) 6.685 39.263 ( 0.540 -2.030 -6.588) 6.915 41.648 ( 0.075 -0.142 -1.408) 1.417 41.650 ( -0.363 -0.293 -1.364) 1.441 47.975 ( -0.811 2.841 -6.602) 7.233 48.084 ( -3.789 0.567 -8.585) 9.401 48.490 ( 14.254 0.168 -16.599) 21.880 48.559 ( 13.727 -0.160 -19.973) 24.236 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.25 0.25 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 11.255 0.062 7.917) 13.761 1.459 ( 4.412 -4.920 3.777) 7.611 1.707 ( 8.089 6.723 7.555) 12.951 1.990 ( 1.051 2.255 6.407) 6.873 2.011 ( 3.013 -4.664 13.699) 14.781 2.158 ( -0.081 -0.284 12.044) 12.048 2.247 ( 2.098 -0.110 12.933) 13.102 2.345 ( 2.628 4.737 15.449) 16.371 2.438 ( -0.695 -5.603 5.224) 7.692 2.591 ( -2.187 -0.469 -1.487) 2.686 2.686 ( 5.789 1.394 2.506) 6.460 2.820 ( 4.790 -4.814 -1.926) 7.059 3.142 ( -2.789 -0.491 13.636) 13.927 3.179 ( -3.473 -1.278 15.049) 15.497 3.346 ( -3.687 1.359 -0.404) 3.950 3.411 ( -1.785 -1.747 -0.515) 2.551 3.577 ( -1.373 2.485 5.621) 6.297 3.633 ( -0.518 1.357 10.834) 10.931 3.674 ( -1.673 4.465 2.274) 5.283 3.767 ( -1.401 2.936 -1.041) 3.416 3.802 ( 3.021 0.933 8.475) 9.045 3.960 ( 3.812 0.633 5.521) 6.739 4.058 ( 8.557 0.445 -3.088) 9.108 4.101 ( 5.907 -5.552 12.320) 14.748 4.553 ( -6.416 6.470 15.863) 18.293 4.857 ( -9.425 -5.827 5.053) 12.179 9.594 ( -0.360 1.979 -1.008) 2.249 9.689 ( -1.820 -1.336 -2.788) 3.587 13.235 ( 1.251 -0.122 -0.879) 1.534 13.248 ( 0.766 -0.361 -1.413) 1.647 14.324 ( -0.451 1.534 4.792) 5.052 14.437 ( -4.391 -2.655 5.105) 7.238 16.297 ( -1.334 -0.376 -0.347) 1.429 16.325 ( -2.296 -0.926 -0.377) 2.504 21.956 ( 0.646 1.164 -2.841) 3.138 22.016 ( -0.553 -1.021 -3.837) 4.009 25.126 ( -0.010 0.016 1.479) 1.479 25.127 ( -0.023 0.015 1.472) 1.473 25.278 ( 0.025 0.448 -0.870) 0.979 25.289 ( -0.380 0.127 -0.656) 0.769 39.112 ( 1.834 3.507 -3.869) 5.534 39.262 ( -0.790 -2.012 -5.971) 6.350 41.645 ( -0.129 -0.025 -1.437) 1.443 41.650 ( 0.083 -0.179 -1.432) 1.446 47.971 ( 0.367 2.078 -7.908) 8.184 48.036 ( -1.530 0.129 -8.520) 8.658 48.747 ( 12.555 1.534 -19.852) 23.539 48.876 ( 14.487 -2.971 -27.430) 31.162 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.38 0.25 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 7.077 -0.935 4.293) 8.330 1.534 ( 3.105 -1.980 1.743) 4.075 1.825 ( 4.005 2.445 9.108) 10.245 2.031 ( 5.368 0.697 7.828) 9.518 2.040 ( -2.994 -4.413 12.259) 13.368 2.161 ( 2.400 -3.235 14.565) 15.112 2.240 ( -1.779 -0.553 15.261) 15.375 2.362 ( -5.869 -4.857 10.324) 12.831 2.453 ( 4.847 4.556 5.171) 8.426 2.556 ( -1.436 0.667 -1.322) 2.063 2.794 ( 5.113 1.449 -1.332) 5.478 2.895 ( 1.402 0.545 -3.644) 3.942 3.111 ( -1.517 -0.601 14.508) 14.599 3.124 ( -0.279 -0.883 12.741) 12.775 3.324 ( 1.606 2.012 -1.520) 2.989 3.407 ( 1.798 -1.234 -1.673) 2.748 3.540 ( -4.440 2.456 -2.125) 5.501 3.575 ( -3.176 1.044 2.320) 4.069 3.643 ( -0.843 2.120 10.345) 10.593 3.721 ( -3.048 1.236 7.213) 7.928 3.892 ( 5.296 0.161 10.880) 12.102 4.020 ( 1.541 -2.598 9.471) 9.941 4.156 ( 1.561 1.134 2.423) 3.098 4.182 ( 1.418 -4.198 6.650) 7.991 4.481 ( 0.777 6.124 17.087) 18.168 4.695 ( -7.001 -3.377 8.438) 11.473 9.596 ( 0.571 1.432 -0.809) 1.741 9.651 ( -1.921 -0.487 -1.891) 2.739 13.256 ( 0.786 -0.196 -1.439) 1.651 13.261 ( 0.484 -0.222 -1.621) 1.706 14.320 ( 0.137 0.687 4.814) 4.865 14.368 ( -2.610 -1.034 5.237) 5.942 16.278 ( -0.593 -0.541 -0.593) 0.998 16.290 ( -1.244 -0.610 -0.561) 1.494 21.971 ( 0.845 0.350 -2.866) 3.008 22.003 ( -0.726 -0.779 -3.428) 3.590 25.126 ( -0.000 0.002 1.475) 1.475 25.127 ( -0.019 0.001 1.472) 1.472 25.279 ( 0.041 0.409 -0.881) 0.972 25.283 ( -0.224 0.313 -0.616) 0.726 39.151 ( 2.099 1.835 -3.649) 4.592 39.234 ( -1.854 -1.150 -4.739) 5.217 41.645 ( 0.138 0.044 -1.516) 1.523 41.650 ( -0.025 -0.137 -1.470) 1.477 47.984 ( 0.768 1.423 -9.087) 9.229 48.014 ( -0.822 0.417 -9.226) 9.272 48.971 ( 9.422 0.906 -23.944) 25.747 49.077 ( 5.534 -2.869 -28.832) 29.498 ======================= Grid point 148 (55/120) ======================= q-point: (-0.50 0.25 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -2.820 1.078 2.042) 3.645 1.537 ( 2.820 1.078 2.042) 3.645 1.930 ( -6.581 -4.091 8.645) 11.610 1.930 ( 6.581 -4.091 8.645) 11.610 2.164 ( -6.099 -1.132 12.959) 14.367 2.164 ( 6.099 -1.132 12.959) 14.367 2.240 ( -4.929 -2.760 15.044) 16.069 2.240 ( 4.929 -2.760 15.044) 16.069 2.521 ( -2.335 1.747 0.610) 2.979 2.521 ( 2.335 1.747 0.610) 2.979 2.874 ( -2.890 1.767 -2.929) 4.478 2.874 ( 2.890 1.767 -2.929) 4.478 3.116 ( -1.403 0.735 12.190) 12.292 3.116 ( 1.403 0.735 12.190) 12.292 3.397 ( -5.090 1.137 -2.387) 5.735 3.397 ( 5.090 1.137 -2.387) 5.735 3.505 ( -3.924 1.866 -3.044) 5.306 3.505 ( 3.924 1.866 -3.044) 5.306 3.660 ( -2.502 -0.127 11.981) 12.240 3.660 ( 2.502 -0.127 11.981) 12.240 3.991 ( -4.118 -2.781 12.849) 13.776 3.991 ( 4.118 -2.781 12.849) 13.776 4.175 ( -1.188 0.363 4.411) 4.583 4.175 ( 1.188 0.363 4.411) 4.583 4.566 ( -6.165 0.803 12.769) 14.202 4.566 ( 6.165 0.803 12.769) 14.202 9.616 ( -1.460 0.534 -1.138) 1.926 9.616 ( 1.460 0.534 -1.138) 1.926 13.265 ( -0.116 -0.218 -1.665) 1.683 13.265 ( 0.116 -0.218 -1.665) 1.683 14.332 ( -1.120 -0.086 4.980) 5.105 14.332 ( 1.120 -0.086 4.980) 5.105 16.275 ( -0.295 -0.513 -0.712) 0.926 16.275 ( 0.295 -0.513 -0.712) 0.926 21.988 ( -0.819 -0.297 -3.076) 3.198 21.988 ( 0.819 -0.297 -3.076) 3.198 25.126 ( -0.009 0.000 1.472) 1.472 25.126 ( 0.009 0.000 1.472) 1.472 25.280 ( -0.071 0.371 -0.728) 0.820 25.280 ( 0.071 0.371 -0.728) 0.820 39.193 ( -2.139 0.224 -3.883) 4.439 39.193 ( 2.139 0.224 -3.883) 4.439 41.648 ( -0.158 -0.032 -1.512) 1.521 41.648 ( 0.158 -0.032 -1.512) 1.521 47.999 ( -0.742 0.888 -9.570) 9.640 47.999 ( 0.742 0.888 -9.570) 9.640 49.099 ( -3.053 -1.007 -27.125) 27.315 49.099 ( 3.053 -1.007 -27.125) 27.315 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 -0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 0.000 -8.758 9.962) 13.264 1.220 ( 0.000 8.758 9.962) 13.264 1.568 ( 0.000 -11.674 6.606) 13.413 1.568 ( 0.000 11.674 6.606) 13.413 2.122 ( 0.000 -3.027 11.977) 12.353 2.122 ( 0.000 3.027 11.977) 12.353 2.239 ( 0.000 -6.953 11.810) 13.705 2.239 ( 0.000 6.953 11.810) 13.705 2.435 ( 0.000 -4.768 7.788) 9.132 2.435 ( 0.000 4.768 7.788) 9.132 2.685 ( 0.000 -1.109 3.228) 3.414 2.685 ( 0.000 1.109 3.228) 3.414 3.253 ( 0.000 -0.423 13.718) 13.725 3.253 ( 0.000 0.423 13.718) 13.725 3.476 ( 0.000 -0.952 -0.505) 1.078 3.476 ( 0.000 0.952 -0.505) 1.078 3.673 ( 0.000 -1.264 15.807) 15.857 3.673 ( 0.000 1.264 15.807) 15.857 3.727 ( 0.000 -0.759 -4.409) 4.473 3.727 ( 0.000 0.759 -4.409) 4.473 3.819 ( 0.000 -4.510 11.980) 12.801 3.819 ( 0.000 4.510 11.980) 12.801 3.846 ( 0.000 -5.084 -4.110) 6.537 3.846 ( 0.000 5.084 -4.110) 6.537 4.914 ( 0.000 -9.745 6.168) 11.533 4.914 ( 0.000 9.745 6.168) 11.533 9.673 ( 0.000 -2.974 -2.738) 4.042 9.673 ( 0.000 2.974 -2.738) 4.042 13.208 ( 0.000 -0.692 -0.391) 0.795 13.208 ( 0.000 0.692 -0.391) 0.795 14.433 ( 0.000 -5.733 4.830) 7.496 14.433 ( 0.000 5.733 4.830) 7.496 16.363 ( 0.000 -1.384 -0.599) 1.508 16.363 ( 0.000 1.384 -0.599) 1.508 21.996 ( 0.000 -1.891 -4.123) 4.536 21.996 ( 0.000 1.891 -4.123) 4.536 25.128 ( 0.000 -0.025 1.465) 1.465 25.128 ( 0.000 0.025 1.465) 1.465 25.289 ( 0.000 -0.482 -0.717) 0.864 25.289 ( 0.000 0.482 -0.717) 0.864 39.188 ( 0.000 -4.294 -6.522) 7.808 39.188 ( 0.000 4.294 -6.522) 7.808 41.647 ( 0.000 -0.155 -1.347) 1.356 41.647 ( 0.000 0.155 -1.347) 1.356 48.093 ( 0.000 -5.785 -8.717) 10.462 48.093 ( 0.000 5.785 -8.717) 10.462 48.369 ( 0.000 -5.443 -15.151) 16.099 48.369 ( 0.000 5.443 -15.151) 16.099 ======================= Grid point 155 (57/120) ======================= q-point: ( 0.12 -0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 2.184 -9.461 8.550) 12.937 1.232 ( 2.184 9.461 8.550) 12.937 1.693 ( 9.872 -10.176 8.131) 16.344 1.693 ( 9.872 10.176 8.131) 16.344 2.117 ( -0.890 -4.176 9.373) 10.300 2.117 ( -0.890 4.176 9.373) 10.300 2.264 ( 2.690 -6.532 9.979) 12.226 2.264 ( 2.690 6.532 9.979) 12.226 2.457 ( 2.115 -6.578 10.285) 12.391 2.457 ( 2.115 6.578 10.285) 12.391 2.679 ( -0.133 -2.064 2.304) 3.096 2.679 ( -0.133 2.064 2.304) 3.096 3.216 ( -3.176 -0.796 13.298) 13.695 3.216 ( -3.176 0.796 13.298) 13.695 3.437 ( -3.329 -0.575 1.109) 3.555 3.437 ( -3.329 0.575 1.109) 3.555 3.665 ( -1.034 -1.902 13.581) 13.752 3.665 ( -1.034 1.902 13.581) 13.752 3.767 ( 2.167 -2.596 -3.467) 4.843 3.767 ( 2.167 2.596 -3.467) 4.843 3.838 ( 2.072 -5.043 7.786) 9.505 3.838 ( 2.072 5.043 7.786) 9.505 3.904 ( 5.967 -2.109 0.072) 6.329 3.904 ( 5.967 2.109 0.072) 6.329 4.849 ( -6.113 -8.882 7.742) 13.274 4.849 ( -6.113 8.882 7.742) 13.274 9.665 ( -0.809 -2.871 -2.477) 3.877 9.665 ( -0.809 2.871 -2.477) 3.877 13.218 ( 0.895 -0.618 -0.660) 1.273 13.218 ( 0.895 0.618 -0.660) 1.273 14.413 ( -1.790 -4.750 4.961) 7.098 14.413 ( -1.790 4.750 4.961) 7.098 16.342 ( -1.891 -1.254 -0.336) 2.293 16.342 ( -1.891 1.254 -0.336) 2.293 21.993 ( -0.301 -1.857 -3.855) 4.290 21.993 ( -0.301 1.857 -3.855) 4.290 25.128 ( -0.033 -0.029 1.472) 1.473 25.128 ( -0.033 0.029 1.472) 1.473 25.289 ( -0.048 -0.452 -0.800) 0.921 25.289 ( -0.048 0.452 -0.800) 0.921 39.192 ( 0.298 -4.370 -6.126) 7.531 39.192 ( 0.298 4.370 -6.126) 7.531 41.646 ( -0.056 -0.034 -1.374) 1.376 41.646 ( -0.056 0.034 -1.374) 1.376 48.050 ( -2.469 -3.288 -8.387) 9.340 48.050 ( -2.469 3.288 -8.387) 9.340 48.528 ( 13.063 -2.384 -18.276) 22.591 48.528 ( 13.063 2.384 -18.276) 22.591 ======================= Grid point 157 (58/120) ======================= q-point: ( 0.25 -0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 6.498 -5.949 6.363) 10.867 1.320 ( 6.498 5.949 6.363) 10.867 1.868 ( 6.725 -7.051 11.968) 15.433 1.868 ( 6.725 7.051 11.968) 15.433 2.080 ( -2.488 -4.648 6.490) 8.362 2.080 ( -2.488 4.648 6.490) 8.362 2.311 ( 0.392 -4.735 9.295) 10.439 2.311 ( 0.392 4.735 9.295) 10.439 2.514 ( 2.929 -7.585 6.574) 10.456 2.514 ( 2.929 7.585 6.574) 10.456 2.716 ( 5.091 -2.336 2.046) 5.963 2.716 ( 5.091 2.336 2.046) 5.963 3.151 ( -3.072 -1.057 14.022) 14.393 3.151 ( -3.072 1.057 14.022) 14.393 3.374 ( -2.278 -1.520 0.310) 2.756 3.374 ( -2.278 1.520 0.310) 2.756 3.633 ( -2.151 -1.808 8.668) 9.112 3.633 ( -2.151 1.808 8.668) 9.112 3.768 ( -1.646 -2.669 0.584) 3.190 3.768 ( -1.646 2.669 0.584) 3.190 3.892 ( 2.528 -6.266 10.652) 12.614 3.892 ( 2.528 6.266 10.652) 12.614 4.052 ( 7.502 -0.844 -1.534) 7.703 4.052 ( 7.502 0.844 -1.534) 7.703 4.706 ( -7.144 -7.218 11.468) 15.318 4.706 ( -7.144 7.218 11.468) 15.318 9.646 ( -0.970 -2.405 -1.924) 3.229 9.646 ( -0.970 2.405 -1.924) 3.229 13.238 ( 1.068 -0.398 -1.176) 1.638 13.238 ( 1.068 0.398 -1.176) 1.638 14.373 ( -1.993 -2.819 5.088) 6.149 14.373 ( -1.993 2.819 5.088) 6.149 16.302 ( -1.817 -0.846 -0.157) 2.010 16.302 ( -1.817 0.846 -0.157) 2.010 21.987 ( -0.230 -1.505 -3.382) 3.709 21.987 ( -0.230 1.505 -3.382) 3.709 25.127 ( -0.032 -0.025 1.479) 1.480 25.127 ( -0.032 0.025 1.479) 1.480 25.287 ( -0.085 -0.290 -0.897) 0.947 25.287 ( -0.085 0.290 -0.897) 0.947 39.197 ( 0.130 -3.719 -5.175) 6.374 39.197 ( 0.130 3.719 -5.175) 6.374 41.646 ( 0.036 -0.132 -1.446) 1.452 41.646 ( 0.036 0.132 -1.446) 1.452 48.019 ( -0.779 -1.741 -8.818) 9.022 48.019 ( -0.779 1.741 -8.818) 9.022 48.801 ( 13.129 -3.286 -22.976) 26.666 48.801 ( 13.129 3.286 -22.976) 26.666 ======================= Grid point 159 (59/120) ======================= q-point: ( 0.38 -0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 7.334 -3.032 3.780) 8.790 1.466 ( 7.334 3.032 3.780) 8.790 1.913 ( -2.764 -5.499 8.291) 10.326 1.913 ( -2.764 5.499 8.291) 10.326 2.080 ( 3.914 -3.185 12.276) 13.273 2.080 ( 3.914 3.185 12.276) 13.273 2.273 ( -3.618 -3.071 14.881) 15.619 2.273 ( -3.618 3.071 14.881) 15.619 2.541 ( 0.183 -2.563 -0.752) 2.678 2.541 ( 0.183 2.563 -0.752) 2.678 2.853 ( 5.853 -3.351 -1.245) 6.859 2.853 ( 5.853 3.351 -1.245) 6.859 3.109 ( -0.331 -0.380 14.075) 14.084 3.109 ( -0.331 0.380 14.075) 14.084 3.369 ( 1.936 -1.945 -1.705) 3.230 3.369 ( 1.936 1.945 -1.705) 3.230 3.582 ( -3.098 -0.794 2.735) 4.209 3.582 ( -3.098 0.794 2.736) 4.209 3.707 ( -3.938 -2.590 5.509) 7.250 3.707 ( -3.938 2.590 5.509) 7.250 3.934 ( 1.800 -3.920 13.471) 14.145 3.934 ( 1.800 3.920 13.471) 14.145 4.157 ( 2.724 -0.705 0.177) 2.819 4.157 ( 2.724 0.705 0.177) 2.819 4.602 ( -3.000 -4.883 14.334) 15.437 4.602 ( -3.000 4.883 14.334) 15.437 9.630 ( -0.590 -1.399 -1.440) 2.093 9.630 ( -0.590 1.399 -1.440) 2.093 13.256 ( 0.630 -0.171 -1.544) 1.676 13.256 ( 0.630 0.171 -1.544) 1.676 14.341 ( -1.098 -1.197 5.025) 5.281 14.341 ( -1.098 1.197 5.025) 5.281 16.276 ( -0.849 -0.408 -0.378) 1.015 16.276 ( -0.849 0.408 -0.378) 1.015 21.984 ( -0.063 -0.813 -3.073) 3.180 21.984 ( -0.063 0.813 -3.073) 3.180 25.127 ( -0.013 -0.013 1.476) 1.477 25.127 ( -0.013 0.013 1.476) 1.477 25.286 ( -0.070 -0.105 -0.887) 0.896 25.286 ( -0.070 0.105 -0.887) 0.896 39.197 ( -0.050 -2.072 -4.266) 4.742 39.197 ( -0.050 2.072 -4.266) 4.742 41.647 ( 0.078 -0.134 -1.505) 1.513 41.647 ( 0.078 0.134 -1.505) 1.513 48.012 ( -0.079 -0.783 -9.672) 9.704 48.012 ( -0.079 0.783 -9.672) 9.704 49.010 ( 7.416 -2.683 -25.719) 26.901 49.010 ( 7.416 2.683 -25.719) 26.901 ======================= Grid point 161 (60/120) ======================= q-point: (-0.50 -0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -0.000 0.000 1.601) 1.601 1.557 ( -0.000 0.000 1.601) 1.601 1.859 ( 0.000 0.000 7.239) 7.239 1.859 ( 0.000 0.000 7.239) 7.239 2.181 ( -0.000 0.000 15.711) 15.711 2.181 ( 0.000 -0.000 15.711) 15.711 2.183 ( -0.000 -0.000 16.096) 16.096 2.183 ( 0.000 0.000 16.096) 16.096 2.541 ( 0.000 0.000 -1.412) 1.412 2.541 ( 0.000 0.000 -1.412) 1.412 2.899 ( -0.000 0.000 -1.364) 1.364 2.899 ( 0.000 0.000 -1.364) 1.364 3.125 ( 0.000 0.000 10.003) 10.003 3.125 ( 0.000 0.000 10.003) 10.003 3.418 ( 0.000 -0.000 -2.631) 2.631 3.418 ( 0.000 0.000 -2.631) 2.631 3.524 ( 0.000 0.000 -1.220) 1.220 3.524 ( 0.000 0.000 -1.220) 1.220 3.659 ( 0.000 0.000 10.280) 10.280 3.659 ( 0.000 0.000 10.280) 10.280 3.955 ( -0.000 -0.000 14.743) 14.743 3.955 ( 0.000 0.000 14.743) 14.743 4.177 ( 0.000 0.000 1.635) 1.635 4.177 ( -0.000 0.000 1.635) 1.635 4.577 ( 0.000 -0.000 14.793) 14.793 4.577 ( 0.000 0.000 14.793) 14.793 9.624 ( 0.000 0.000 -1.253) 1.253 9.624 ( 0.000 0.000 -1.253) 1.253 13.262 ( 0.000 0.000 -1.662) 1.662 13.262 ( 0.000 0.000 -1.662) 1.662 14.330 ( 0.000 0.000 4.962) 4.962 14.330 ( 0.000 0.000 4.962) 4.962 16.268 ( 0.000 0.000 -0.541) 0.541 16.268 ( 0.000 0.000 -0.541) 0.541 21.984 ( 0.000 0.000 -2.978) 2.978 21.984 ( 0.000 0.000 -2.978) 2.978 25.126 ( 0.000 0.000 1.474) 1.474 25.126 ( 0.000 0.000 1.474) 1.474 25.285 ( 0.000 0.000 -0.859) 0.859 25.285 ( 0.000 0.000 -0.859) 0.859 39.197 ( 0.000 0.000 -3.906) 3.906 39.197 ( 0.000 0.000 -3.906) 3.906 41.648 ( 0.000 0.000 -1.523) 1.523 41.648 ( 0.000 0.000 -1.523) 1.523 48.012 ( 0.000 0.000 -10.067) 10.067 48.012 ( 0.000 0.000 -10.067) 10.067 49.084 ( 0.000 0.000 -26.513) 26.513 49.084 ( 0.000 0.000 -26.513) 26.513 ======================= Grid point 180 (61/120) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 0.000 0.000 14.926) 14.926 1.231 ( 0.000 0.000 14.975) 14.975 1.846 ( 0.000 0.000 -0.566) 0.566 1.987 ( 0.000 0.000 7.170) 7.170 2.020 ( 0.000 0.000 3.934) 3.934 2.248 ( 0.000 0.000 5.353) 5.353 2.444 ( 0.000 0.000 -2.730) 2.730 2.583 ( 0.000 0.000 -0.074) 0.074 2.642 ( 0.000 0.000 9.850) 9.850 2.672 ( 0.000 0.000 10.903) 10.903 2.749 ( 0.000 0.000 24.613) 24.613 2.854 ( 0.000 0.000 5.753) 5.753 3.264 ( 0.000 0.000 -7.309) 7.309 3.397 ( 0.000 0.000 -4.778) 4.778 3.513 ( 0.000 0.000 -2.653) 2.653 3.517 ( 0.000 0.000 4.301) 4.301 3.605 ( 0.000 0.000 -1.279) 1.279 3.674 ( 0.000 0.000 5.870) 5.870 3.714 ( 0.000 0.000 6.421) 6.421 3.719 ( 0.000 0.000 2.205) 2.205 3.779 ( 0.000 0.000 9.791) 9.791 3.889 ( 0.000 0.000 12.451) 12.451 4.194 ( 0.000 0.000 14.933) 14.933 4.224 ( 0.000 0.000 12.952) 12.952 4.954 ( 0.000 0.000 14.501) 14.501 5.157 ( 0.000 0.000 -4.762) 4.762 9.558 ( 0.000 0.000 -1.444) 1.444 9.669 ( 0.000 0.000 -4.085) 4.085 13.208 ( 0.000 0.000 0.144) 0.144 13.215 ( 0.000 0.000 -1.018) 1.018 14.394 ( 0.000 0.000 3.745) 3.745 14.675 ( 0.000 0.000 0.359) 0.359 16.341 ( 0.000 0.000 -0.119) 0.119 16.390 ( 0.000 0.000 -1.046) 1.046 21.868 ( 0.000 0.000 -2.180) 2.180 21.961 ( 0.000 0.000 -3.477) 3.477 25.154 ( 0.000 0.000 1.346) 1.346 25.156 ( 0.000 0.000 1.409) 1.409 25.264 ( 0.000 0.000 -0.593) 0.593 25.287 ( 0.000 0.000 -0.768) 0.768 38.946 ( 0.000 0.000 -2.551) 2.551 39.156 ( 0.000 0.000 -5.384) 5.384 41.621 ( 0.000 0.000 -1.382) 1.382 41.632 ( 0.000 0.000 -1.448) 1.448 47.865 ( 0.000 0.000 -4.683) 4.683 47.944 ( 0.000 0.000 -7.091) 7.091 48.019 ( 0.000 0.000 -14.316) 14.316 48.156 ( 0.000 0.000 -11.716) 11.716 ======================= Grid point 181 (62/120) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 7.064 0.000 12.699) 14.531 1.360 ( 10.926 0.000 10.665) 15.268 1.760 ( -4.762 0.000 2.070) 5.193 2.004 ( 1.297 0.000 5.795) 5.939 2.146 ( 8.699 0.000 2.424) 9.030 2.276 ( 2.911 0.000 6.301) 6.941 2.423 ( -1.995 0.000 -2.728) 3.379 2.573 ( -0.915 0.000 -0.372) 0.988 2.650 ( 0.713 0.000 9.150) 9.177 2.652 ( -1.753 0.000 11.447) 11.581 2.775 ( 2.408 0.000 22.001) 22.132 2.855 ( -0.165 0.000 5.022) 5.025 3.252 ( -1.271 0.000 -5.868) 6.004 3.426 ( -1.071 0.000 -0.265) 1.104 3.502 ( -1.057 0.000 5.233) 5.338 3.552 ( 5.117 0.000 -0.402) 5.133 3.589 ( -5.579 0.000 5.437) 7.791 3.650 ( 2.039 0.000 -2.241) 3.030 3.655 ( -1.317 0.000 0.402) 1.377 3.711 ( -0.157 0.000 1.556) 1.564 3.862 ( 4.190 0.000 10.229) 11.054 3.902 ( 1.562 0.000 11.472) 11.578 4.147 ( -0.623 0.000 13.272) 13.287 4.355 ( 8.758 0.000 15.189) 17.533 4.899 ( -5.481 0.000 12.909) 14.024 5.115 ( -3.640 0.000 -0.305) 3.653 9.557 ( -0.115 0.000 -1.185) 1.191 9.662 ( -0.701 0.000 -3.772) 3.836 13.213 ( 0.447 0.000 -0.100) 0.458 13.218 ( 0.241 0.000 -1.112) 1.138 14.393 ( -0.108 0.000 3.782) 3.783 14.635 ( -3.699 0.000 1.430) 3.966 16.325 ( -1.460 0.000 -0.206) 1.474 16.370 ( -1.827 0.000 -0.835) 2.009 21.875 ( 0.663 0.000 -2.248) 2.344 21.959 ( -0.156 0.000 -3.479) 3.483 25.155 ( 0.007 0.000 1.344) 1.344 25.156 ( -0.009 0.000 1.405) 1.405 25.262 ( -0.204 0.000 -0.590) 0.624 25.284 ( -0.310 0.000 -0.683) 0.750 38.964 ( 1.742 0.000 -2.636) 3.159 39.164 ( 0.622 0.000 -5.453) 5.489 41.622 ( 0.091 0.000 -1.392) 1.395 41.627 ( -0.475 0.000 -1.361) 1.442 47.827 ( -1.979 0.000 -5.865) 6.190 47.918 ( -2.128 0.000 -7.112) 7.424 48.160 ( 11.342 0.000 -17.064) 20.490 48.223 ( 6.009 0.000 -13.511) 14.787 ======================= Grid point 182 (63/120) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 7.982 0.000 7.880) 11.217 1.549 ( 4.842 0.000 2.232) 5.331 1.742 ( 5.148 0.000 5.909) 7.837 2.032 ( 2.037 0.000 4.789) 5.204 2.305 ( 6.908 0.000 2.532) 7.358 2.320 ( -1.913 0.000 5.438) 5.765 2.410 ( 3.877 0.000 -0.170) 3.881 2.542 ( -2.482 0.000 -1.367) 2.834 2.616 ( -1.606 0.000 11.672) 11.782 2.662 ( 0.241 0.000 7.899) 7.903 2.828 ( -2.951 0.000 2.422) 3.818 2.833 ( 3.015 0.000 16.721) 16.991 3.221 ( -1.270 0.000 -3.114) 3.363 3.379 ( -2.057 0.000 1.351) 2.461 3.457 ( -3.356 0.000 11.508) 11.987 3.510 ( -1.725 0.000 -1.845) 2.525 3.537 ( -5.013 0.000 10.562) 11.691 3.602 ( -5.353 0.000 -2.343) 5.843 3.746 ( 7.123 0.000 -2.404) 7.518 3.801 ( 5.774 0.000 0.864) 5.838 3.919 ( 1.585 0.000 11.013) 11.126 3.974 ( 6.153 0.000 2.714) 6.725 4.174 ( 2.983 0.000 12.187) 12.547 4.542 ( 9.727 0.000 17.286) 19.835 4.745 ( -9.511 0.000 10.817) 14.404 5.037 ( -3.887 0.000 8.467) 9.317 9.557 ( 0.226 0.000 -0.709) 0.744 9.642 ( -1.210 0.000 -2.942) 3.181 13.224 ( 0.592 0.000 -0.696) 0.914 13.224 ( 0.373 0.000 -1.334) 1.385 14.392 ( 0.112 0.000 3.877) 3.879 14.549 ( -4.407 0.000 3.155) 5.420 16.292 ( -1.588 0.000 -0.544) 1.679 16.327 ( -2.346 0.000 -0.529) 2.405 21.892 ( 1.024 0.000 -2.422) 2.630 21.954 ( -0.361 0.000 -3.390) 3.409 25.155 ( 0.010 0.000 1.344) 1.344 25.156 ( -0.017 0.000 1.396) 1.396 25.258 ( -0.082 0.000 -0.633) 0.638 25.277 ( -0.407 0.000 -0.537) 0.674 39.009 ( 2.702 0.000 -2.807) 3.896 39.171 ( -0.158 0.000 -5.111) 5.114 41.618 ( -0.306 0.000 -1.303) 1.339 41.623 ( 0.054 0.000 -1.418) 1.419 47.802 ( -0.693 0.000 -7.121) 7.155 47.874 ( -2.191 0.000 -7.634) 7.942 48.365 ( 7.771 0.000 -17.464) 19.115 48.393 ( 10.848 0.000 -22.714) 25.171 ======================= Grid point 183 (64/120) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 3.101 0.000 3.839) 4.935 1.573 ( -0.088 0.000 1.489) 1.491 1.915 ( 9.625 0.000 3.710) 10.315 2.114 ( 6.407 0.000 4.212) 7.668 2.230 ( -5.892 0.000 1.916) 6.196 2.386 ( -1.145 0.000 0.525) 1.259 2.497 ( 0.559 0.000 2.727) 2.784 2.527 ( 5.721 0.000 6.873) 8.943 2.595 ( -0.487 0.000 10.303) 10.315 2.650 ( -2.153 0.000 6.056) 6.427 2.761 ( -1.702 0.000 0.617) 1.811 2.868 ( -0.217 0.000 9.783) 9.785 3.224 ( 2.009 0.000 -1.658) 2.605 3.370 ( 0.895 0.000 3.057) 3.185 3.410 ( -1.518 0.000 11.595) 11.694 3.426 ( -5.158 0.000 5.799) 7.761 3.471 ( -6.917 0.000 -0.100) 6.918 3.471 ( -2.440 0.000 -2.744) 3.672 3.869 ( 2.001 0.000 9.157) 9.373 3.900 ( 5.007 0.000 -0.845) 5.078 3.942 ( 3.367 0.000 10.063) 10.611 4.084 ( 2.911 0.000 -3.151) 4.290 4.255 ( 5.158 0.000 11.669) 12.758 4.550 ( -9.640 0.000 11.244) 14.811 4.725 ( 8.461 0.000 18.397) 20.249 4.962 ( -3.932 0.000 14.450) 14.975 9.567 ( 0.823 0.000 -0.556) 0.993 9.616 ( -1.413 0.000 -1.890) 2.360 13.231 ( 0.333 0.000 -1.541) 1.577 13.233 ( 0.330 0.000 -1.285) 1.327 14.400 ( 0.746 0.000 4.006) 4.075 14.473 ( -3.186 0.000 4.002) 5.115 16.268 ( -0.740 0.000 -0.861) 1.135 16.286 ( -1.629 0.000 -0.560) 1.723 21.913 ( 1.025 0.000 -2.647) 2.839 21.945 ( -0.581 0.000 -3.168) 3.221 25.155 ( 0.005 0.000 1.354) 1.354 25.155 ( -0.018 0.000 1.384) 1.384 25.259 ( 0.133 0.000 -0.662) 0.675 25.269 ( -0.347 0.000 -0.501) 0.609 39.065 ( 2.809 0.000 -3.024) 4.127 39.155 ( -1.421 0.000 -4.245) 4.476 41.616 ( 0.080 0.000 -1.370) 1.372 41.623 ( -0.109 0.000 -1.444) 1.448 47.796 ( 0.154 0.000 -8.255) 8.257 47.834 ( -1.715 0.000 -8.404) 8.578 48.508 ( 6.060 0.000 -21.667) 22.499 48.553 ( 4.965 0.000 -25.455) 25.935 ======================= Grid point 184 (65/120) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -0.175 0.000 2.399) 2.405 1.571 ( 0.175 0.000 2.399) 2.405 2.090 ( -7.852 0.000 1.539) 8.001 2.090 ( 7.852 0.000 1.539) 8.001 2.271 ( -8.069 0.000 2.262) 8.380 2.271 ( 8.069 0.000 2.262) 8.380 2.569 ( -4.766 0.000 3.068) 5.668 2.569 ( 4.766 0.000 3.068) 5.668 2.588 ( -0.725 0.000 11.232) 11.255 2.588 ( 0.725 0.000 11.232) 11.256 2.811 ( -4.787 0.000 3.049) 5.675 2.811 ( 4.787 0.000 3.049) 5.675 3.305 ( -5.790 0.000 -0.739) 5.837 3.305 ( 5.790 0.000 -0.739) 5.837 3.392 ( -0.234 0.000 10.660) 10.663 3.392 ( 0.234 0.000 10.660) 10.663 3.421 ( -2.353 0.000 -2.117) 3.165 3.421 ( 2.353 0.000 -2.117) 3.165 3.901 ( -1.325 0.000 9.794) 9.884 3.901 ( 1.325 0.000 9.794) 9.884 4.064 ( -4.677 0.000 -1.367) 4.873 4.064 ( 4.677 0.000 -1.367) 4.873 4.379 ( -7.436 0.000 11.686) 13.851 4.379 ( 7.436 0.000 11.686) 13.851 4.868 ( -5.867 0.000 17.526) 18.482 4.868 ( 5.867 0.000 17.525) 18.482 9.589 ( -1.276 0.000 -0.986) 1.612 9.589 ( 1.276 0.000 -0.986) 1.612 13.236 ( -0.077 0.000 -1.572) 1.574 13.236 ( 0.077 0.000 -1.572) 1.574 14.424 ( -1.780 0.000 4.121) 4.489 14.424 ( 1.780 0.000 4.121) 4.489 16.265 ( -0.442 0.000 -0.815) 0.927 16.265 ( 0.442 0.000 -0.815) 0.927 21.931 ( -0.821 0.000 -2.900) 3.014 21.931 ( 0.821 0.000 -2.900) 3.014 25.155 ( -0.011 0.000 1.369) 1.369 25.155 ( 0.011 0.000 1.369) 1.369 25.263 ( -0.261 0.000 -0.587) 0.643 25.263 ( 0.261 0.000 -0.587) 0.643 39.117 ( -2.343 0.000 -3.457) 4.176 39.117 ( 2.343 0.000 -3.457) 4.176 41.619 ( -0.224 0.000 -1.435) 1.453 41.619 ( 0.224 0.000 -1.435) 1.453 47.808 ( -0.967 0.000 -8.735) 8.789 47.808 ( 0.967 0.000 -8.735) 8.789 48.586 ( -1.473 0.000 -24.721) 24.765 48.586 ( 1.473 0.000 -24.721) 24.765 ======================= Grid point 189 (66/120) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.000 4.842 13.276) 14.132 1.308 ( 0.000 8.660 10.693) 13.760 1.719 ( 0.000 -6.870 5.998) 9.120 1.923 ( 0.000 -8.496 4.227) 9.489 2.118 ( 0.000 7.629 2.506) 8.031 2.251 ( 0.000 1.019 5.348) 5.444 2.391 ( 0.000 -4.051 -1.177) 4.219 2.450 ( 0.000 -7.240 3.395) 7.996 2.710 ( 0.000 2.059 10.939) 11.131 2.710 ( 0.000 2.038 10.894) 11.083 2.766 ( 0.000 1.872 18.158) 18.254 2.846 ( 0.000 -0.832 7.793) 7.837 3.341 ( 0.000 3.317 -4.201) 5.353 3.373 ( 0.000 -1.592 -3.615) 3.950 3.471 ( 0.000 0.469 -2.295) 2.342 3.539 ( 0.000 -2.567 -0.770) 2.680 3.608 ( 0.000 5.391 0.311) 5.400 3.692 ( 0.000 0.617 7.833) 7.857 3.712 ( 0.000 -0.213 6.148) 6.152 3.759 ( 0.000 2.062 -2.250) 3.052 3.861 ( 0.000 5.456 9.313) 10.794 3.915 ( 0.000 2.288 12.961) 13.161 4.140 ( 0.000 -4.236 14.747) 15.344 4.176 ( 0.000 -4.263 11.914) 12.654 4.982 ( 0.000 2.270 12.246) 12.454 5.117 ( 0.000 -3.143 -1.149) 3.347 9.577 ( 0.000 1.564 -1.797) 2.382 9.655 ( 0.000 -1.207 -3.677) 3.870 13.204 ( 0.000 -0.264 0.101) 0.283 13.210 ( 0.000 -0.420 -0.772) 0.879 14.425 ( 0.000 2.738 3.690) 4.595 14.620 ( 0.000 -4.451 1.528) 4.706 16.341 ( 0.000 0.173 -0.127) 0.215 16.377 ( 0.000 -1.018 -0.851) 1.327 21.886 ( 0.000 1.516 -2.640) 3.044 21.951 ( 0.000 -0.877 -3.459) 3.568 25.155 ( 0.000 0.057 1.344) 1.345 25.156 ( 0.000 0.023 1.381) 1.381 25.267 ( 0.000 0.277 -0.617) 0.676 25.284 ( 0.000 -0.310 -0.745) 0.807 38.990 ( 0.000 3.547 -3.592) 5.048 39.136 ( 0.000 -1.851 -5.383) 5.692 41.620 ( 0.000 -0.051 -1.335) 1.336 41.627 ( 0.000 -0.360 -1.348) 1.395 47.871 ( 0.000 1.106 -5.991) 6.093 47.982 ( 0.000 -2.800 -12.239) 12.555 48.008 ( 0.000 4.594 -8.760) 9.891 48.152 ( 0.000 -0.825 -12.338) 12.365 ======================= Grid point 190 (67/120) ======================= q-point: ( 0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 3.844 3.077 11.842) 12.825 1.441 ( 7.332 3.745 7.020) 10.820 1.708 ( 1.783 -1.308 6.365) 6.738 2.033 ( 8.581 -7.037 4.760) 12.075 2.094 ( -1.781 4.242 2.121) 5.066 2.299 ( 3.865 1.852 5.812) 7.221 2.352 ( -2.880 -5.213 -1.132) 6.062 2.478 ( 1.940 -5.436 1.906) 6.078 2.682 ( -1.495 2.508 12.961) 13.286 2.710 ( -1.459 2.170 6.859) 7.341 2.790 ( 2.540 1.033 18.181) 18.387 2.848 ( 0.134 -0.780 7.371) 7.414 3.296 ( -2.122 1.790 -3.145) 4.194 3.381 ( -2.638 -3.929 0.195) 4.737 3.495 ( 0.531 2.565 -0.781) 2.733 3.547 ( 1.719 -0.178 2.128) 2.741 3.611 ( -3.620 1.859 8.347) 9.287 3.673 ( 1.373 1.344 -2.419) 3.089 3.707 ( 3.060 2.151 -0.785) 3.822 3.734 ( -1.951 2.590 -1.874) 3.745 3.901 ( 2.009 2.605 10.884) 11.371 3.936 ( 2.385 2.906 11.279) 11.889 4.113 ( 0.240 -2.523 12.866) 13.113 4.275 ( 6.582 -6.444 13.885) 16.663 4.940 ( -3.935 3.129 11.828) 12.852 5.083 ( -3.007 -2.642 2.729) 4.845 9.575 ( -0.162 1.524 -1.544) 2.176 9.649 ( -0.575 -1.109 -3.388) 3.611 13.208 ( 0.425 -0.259 -0.189) 0.532 13.214 ( 0.366 -0.341 -0.874) 1.007 14.420 ( -0.440 2.418 3.753) 4.486 14.589 ( -2.902 -3.757 2.237) 5.248 16.324 ( -1.529 0.121 -0.136) 1.539 16.359 ( -1.752 -0.971 -0.676) 2.113 21.890 ( 0.394 1.303 -2.608) 2.942 21.950 ( -0.147 -0.864 -3.417) 3.528 25.155 ( -0.007 0.048 1.349) 1.350 25.156 ( -0.014 0.018 1.381) 1.381 25.265 ( -0.158 0.318 -0.630) 0.723 25.281 ( -0.222 -0.242 -0.710) 0.782 39.004 ( 1.356 3.258 -3.511) 4.978 39.144 ( 0.629 -1.863 -5.362) 5.711 41.620 ( 0.051 -0.097 -1.349) 1.354 41.623 ( -0.337 -0.233 -1.305) 1.368 47.843 ( -1.821 1.425 -6.620) 7.012 47.916 ( -2.789 -0.612 -8.236) 8.717 48.166 ( 10.703 0.984 -15.320) 18.714 48.223 ( 6.462 -0.289 -14.361) 15.750 ======================= Grid point 191 (68/120) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 7.081 -0.263 8.213) 10.847 1.526 ( 2.232 -2.722 3.129) 4.709 1.828 ( 8.067 6.990 5.192) 11.870 2.063 ( -0.133 2.251 3.364) 4.050 2.202 ( 5.859 -6.624 4.551) 9.945 2.282 ( -1.613 -5.409 1.390) 5.813 2.392 ( 4.103 1.066 3.534) 5.519 2.509 ( 0.902 -3.487 -0.659) 3.661 2.652 ( -1.558 2.526 11.287) 11.671 2.666 ( -2.586 0.923 9.403) 9.796 2.829 ( -0.523 0.798 8.671) 8.723 2.862 ( 2.321 0.662 9.113) 9.427 3.258 ( -1.647 1.628 -0.620) 2.398 3.330 ( -1.082 -3.118 0.612) 3.357 3.460 ( -3.688 1.149 8.662) 9.485 3.517 ( -2.855 0.286 0.739) 2.963 3.530 ( -4.293 0.942 7.450) 8.650 3.638 ( -4.936 0.527 -2.806) 5.702 3.780 ( 5.080 3.126 -1.421) 6.132 3.833 ( 6.477 2.334 -2.289) 7.256 3.932 ( 1.203 1.355 11.380) 11.524 4.008 ( 5.394 1.890 4.780) 7.451 4.152 ( 3.167 -1.120 11.851) 12.317 4.393 ( 4.236 -9.515 14.045) 17.486 4.852 ( -3.778 6.015 13.221) 15.008 5.018 ( -3.147 -1.699 10.174) 10.785 9.573 ( 0.076 1.350 -1.056) 1.716 9.634 ( -0.942 -0.787 -2.652) 2.923 13.219 ( 0.556 -0.230 -0.863) 1.052 13.223 ( 0.489 -0.229 -1.096) 1.222 14.411 ( -0.377 1.650 3.891) 4.244 14.521 ( -3.523 -2.344 3.421) 5.442 16.290 ( -1.668 -0.010 -0.336) 1.701 16.317 ( -2.199 -0.798 -0.460) 2.385 21.901 ( 0.672 0.809 -2.595) 2.800 21.945 ( -0.283 -0.770 -3.268) 3.369 25.155 ( -0.006 0.026 1.358) 1.358 25.156 ( -0.025 0.007 1.380) 1.380 25.263 ( -0.068 0.361 -0.689) 0.781 25.276 ( -0.299 -0.090 -0.640) 0.712 39.039 ( 2.084 2.473 -3.357) 4.661 39.153 ( 0.107 -1.623 -4.937) 5.198 41.617 ( -0.206 -0.030 -1.302) 1.318 41.621 ( 0.040 -0.163 -1.390) 1.400 47.816 ( -0.903 1.194 -7.613) 7.759 47.868 ( -2.088 -0.565 -8.120) 8.403 48.367 ( 8.325 0.273 -18.010) 19.843 48.390 ( 9.862 -0.324 -21.433) 23.595 ======================= Grid point 192 (69/120) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 3.955 -0.593 4.336) 5.899 1.570 ( 2.090 -0.748 1.873) 2.905 1.941 ( 3.695 1.945 4.024) 5.799 2.113 ( 0.916 -3.036 1.494) 3.505 2.181 ( 1.219 0.225 4.606) 4.770 2.385 ( 6.238 -4.027 4.764) 8.821 2.431 ( -0.998 -0.476 3.149) 3.337 2.516 ( 0.491 -1.991 -0.792) 2.198 2.605 ( -2.457 0.370 11.517) 11.782 2.632 ( -1.717 -0.345 9.383) 9.545 2.805 ( -0.425 3.482 2.795) 4.485 2.889 ( -0.524 0.647 5.813) 5.873 3.255 ( 1.866 1.840 0.052) 2.622 3.345 ( 1.966 -1.832 2.043) 3.376 3.401 ( -1.801 0.308 8.510) 8.704 3.429 ( -3.743 -0.684 8.985) 9.758 3.462 ( -4.092 1.994 -2.698) 5.292 3.531 ( -5.277 1.579 -2.673) 6.122 3.848 ( 1.823 -0.074 6.481) 6.733 3.904 ( -0.227 -0.754 4.947) 5.010 3.992 ( 6.242 4.048 5.578) 9.299 4.112 ( 3.148 1.971 -0.947) 3.833 4.225 ( 4.197 -2.202 11.498) 12.437 4.405 ( -2.893 -8.590 12.205) 15.202 4.836 ( 2.222 5.903 17.232) 18.350 4.961 ( -2.720 -0.308 15.380) 15.621 9.579 ( 0.543 0.964 -0.815) 1.375 9.614 ( -1.047 -0.248 -1.770) 2.071 13.228 ( 0.385 -0.184 -1.395) 1.459 13.231 ( 0.295 -0.210 -1.381) 1.428 14.408 ( 0.245 0.770 4.027) 4.107 14.460 ( -2.522 -1.077 4.029) 4.874 16.265 ( -0.795 -0.153 -0.634) 1.028 16.279 ( -1.490 -0.540 -0.536) 1.673 21.916 ( 0.717 0.276 -2.674) 2.782 21.938 ( -0.417 -0.536 -3.046) 3.121 25.155 ( 0.001 0.009 1.365) 1.365 25.155 ( -0.022 0.001 1.377) 1.377 25.263 ( 0.091 0.319 -0.727) 0.799 25.270 ( -0.257 0.071 -0.623) 0.677 39.082 ( 2.095 1.375 -3.278) 4.126 39.145 ( -0.879 -0.896 -4.131) 4.317 41.616 ( 0.072 0.035 -1.380) 1.382 41.621 ( -0.064 -0.143 -1.434) 1.442 47.806 ( -0.108 0.762 -8.626) 8.660 47.833 ( -1.459 -0.180 -8.761) 8.883 48.511 ( 5.814 0.327 -21.842) 22.605 48.543 ( 5.027 -0.827 -24.519) 25.043 ======================= Grid point 193 (70/120) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -1.287 0.656 2.146) 2.587 1.579 ( 1.287 0.656 2.146) 2.587 2.029 ( -5.324 -4.198 3.046) 7.433 2.029 ( 5.324 -4.198 3.046) 7.433 2.317 ( -7.682 3.398 3.139) 8.968 2.317 ( 7.682 3.398 3.139) 8.968 2.504 ( -3.343 -4.816 4.409) 7.336 2.504 ( 3.343 -4.816 4.409) 7.336 2.587 ( -1.462 0.189 8.621) 8.746 2.587 ( 1.462 0.189 8.621) 8.746 2.841 ( -3.384 1.980 2.748) 4.788 2.841 ( 3.384 1.980 2.748) 4.788 3.325 ( -4.180 1.039 0.504) 4.336 3.325 ( 4.180 1.039 0.504) 4.336 3.394 ( -1.069 0.461 8.838) 8.915 3.394 ( 1.069 0.461 8.838) 8.915 3.439 ( -3.921 1.036 -2.704) 4.874 3.439 ( 3.921 1.036 -2.704) 4.874 3.879 ( -1.574 -1.368 8.356) 8.612 3.879 ( 1.574 -1.368 8.356) 8.612 4.103 ( -3.703 3.086 1.011) 4.926 4.103 ( 3.703 3.086 1.011) 4.926 4.318 ( -5.017 -4.585 11.419) 13.289 4.318 ( 5.017 -4.585 11.419) 13.289 4.901 ( -3.464 2.207 17.790) 18.258 4.901 ( 3.464 2.207 17.790) 18.258 9.594 ( -0.908 0.391 -1.073) 1.459 9.594 ( 0.908 0.391 -1.073) 1.459 13.233 ( -0.078 -0.194 -1.545) 1.559 13.233 ( 0.078 -0.194 -1.545) 1.559 14.423 ( -1.256 -0.099 4.119) 4.308 14.423 ( 1.256 -0.099 4.119) 4.308 16.261 ( -0.364 -0.313 -0.703) 0.852 16.261 ( 0.364 -0.313 -0.703) 0.852 21.929 ( -0.584 -0.181 -2.833) 2.898 21.929 ( 0.584 -0.181 -2.833) 2.898 25.155 ( -0.011 0.003 1.371) 1.371 25.155 ( 0.011 0.003 1.371) 1.371 25.266 ( -0.190 0.211 -0.680) 0.737 25.266 ( 0.190 0.211 -0.680) 0.737 39.119 ( -1.653 0.181 -3.493) 3.869 39.119 ( 1.653 0.181 -3.493) 3.869 41.619 ( -0.159 -0.042 -1.438) 1.448 41.619 ( 0.159 -0.042 -1.438) 1.448 47.812 ( -0.690 0.292 -9.072) 9.103 47.812 ( 0.690 0.292 -9.072) 9.103 48.582 ( -1.042 -0.311 -24.348) 24.372 48.582 ( 1.042 -0.311 -24.348) 24.372 ======================= Grid point 198 (71/120) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.000 -3.430 8.436) 9.106 1.405 ( 0.000 3.430 8.436) 9.106 1.705 ( 0.000 -8.315 7.742) 11.361 1.705 ( 0.000 8.315 7.742) 11.361 2.272 ( 0.000 -5.515 2.631) 6.110 2.272 ( 0.000 5.515 2.631) 6.110 2.317 ( 0.000 -3.828 2.191) 4.410 2.317 ( 0.000 3.828 2.191) 4.410 2.731 ( 0.000 -0.121 12.816) 12.817 2.731 ( 0.000 0.121 12.816) 12.817 2.815 ( 0.000 -1.979 11.697) 11.863 2.815 ( 0.000 1.979 11.697) 11.863 3.354 ( 0.000 -0.088 -1.778) 1.780 3.354 ( 0.000 0.088 -1.778) 1.780 3.508 ( 0.000 -1.238 -2.726) 2.994 3.508 ( 0.000 1.238 -2.726) 2.994 3.704 ( 0.000 -0.395 7.384) 7.395 3.704 ( 0.000 0.395 7.384) 7.395 3.737 ( 0.000 -4.441 -4.055) 6.014 3.737 ( 0.000 4.441 -4.055) 6.014 3.963 ( 0.000 -0.662 12.234) 12.251 3.963 ( 0.000 0.662 12.234) 12.251 4.074 ( 0.000 -1.740 12.257) 12.380 4.074 ( 0.000 1.740 12.257) 12.380 5.043 ( 0.000 -3.193 6.307) 7.069 5.043 ( 0.000 3.193 6.307) 7.069 9.619 ( 0.000 -1.985 -2.707) 3.357 9.619 ( 0.000 1.985 -2.707) 3.357 13.202 ( 0.000 -0.169 -0.237) 0.291 13.202 ( 0.000 0.169 -0.237) 0.291 14.511 ( 0.000 -4.856 3.128) 5.776 14.511 ( 0.000 4.856 3.128) 5.776 16.353 ( 0.000 -0.946 -0.413) 1.032 16.353 ( 0.000 0.946 -0.413) 1.032 21.923 ( 0.000 -1.596 -3.252) 3.622 21.923 ( 0.000 1.596 -3.252) 3.622 25.156 ( 0.000 -0.033 1.349) 1.350 25.156 ( 0.000 0.033 1.349) 1.350 25.275 ( 0.000 -0.418 -0.682) 0.800 25.275 ( 0.000 0.418 -0.682) 0.800 39.075 ( 0.000 -3.612 -4.971) 6.145 39.075 ( 0.000 3.612 -4.971) 6.145 41.621 ( 0.000 -0.179 -1.273) 1.285 41.621 ( 0.000 0.179 -1.273) 1.285 47.916 ( 0.000 -2.820 -8.853) 9.291 47.916 ( 0.000 2.820 -8.853) 9.291 48.104 ( 0.000 -3.547 -11.535) 12.068 48.104 ( 0.000 3.547 -11.535) 12.068 ======================= Grid point 200 (72/120) ======================= q-point: ( 0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.666 -5.553 8.169) 9.900 1.400 ( 0.666 5.553 8.169) 9.900 1.823 ( 9.714 -9.748 5.944) 14.991 1.823 ( 9.714 9.748 5.944) 14.991 2.218 ( -3.423 -5.956 2.106) 7.185 2.218 ( -3.423 5.956 2.106) 7.185 2.373 ( 3.495 -4.149 2.829) 6.118 2.373 ( 3.495 4.149 2.829) 6.118 2.724 ( -1.055 -0.983 10.108) 10.211 2.724 ( -1.055 0.983 10.108) 10.211 2.819 ( 0.879 -1.601 13.040) 13.167 2.819 ( 0.879 1.601 13.040) 13.167 3.320 ( -2.554 -1.390 -0.773) 3.009 3.320 ( -2.554 1.390 -0.773) 3.009 3.541 ( 0.877 -0.822 1.801) 2.165 3.541 ( 0.877 0.822 1.801) 2.165 3.664 ( -2.770 -1.997 2.556) 4.266 3.664 ( -2.770 1.997 2.556) 4.266 3.759 ( 2.603 -1.468 -5.091) 5.903 3.759 ( 2.603 1.468 -5.091) 5.903 3.960 ( 0.275 -2.192 12.450) 12.644 3.960 ( 0.275 2.192 12.450) 12.644 4.124 ( 4.063 -5.440 12.375) 14.116 4.124 ( 4.063 5.440 12.375) 14.116 5.014 ( -2.577 -3.347 8.240) 9.259 5.014 ( -2.577 3.347 8.240) 9.259 9.615 ( -0.329 -1.889 -2.452) 3.113 9.615 ( -0.329 1.889 -2.452) 3.113 13.207 ( 0.446 -0.170 -0.460) 0.663 13.207 ( 0.446 0.170 -0.460) 0.663 14.495 ( -1.449 -4.210 3.364) 5.580 14.495 ( -1.449 4.210 3.364) 5.580 16.336 ( -1.641 -0.906 -0.306) 1.900 16.336 ( -1.641 0.906 -0.306) 1.900 21.923 ( -0.000 -1.470 -3.151) 3.477 21.923 ( -0.000 1.470 -3.151) 3.477 25.156 ( -0.020 -0.032 1.356) 1.357 25.156 ( -0.020 0.032 1.356) 1.357 25.274 ( -0.123 -0.411 -0.702) 0.823 25.274 ( -0.123 0.411 -0.702) 0.823 39.083 ( 0.812 -3.475 -4.807) 5.987 39.083 ( 0.812 3.475 -4.807) 5.987 41.620 ( -0.095 -0.069 -1.281) 1.287 41.620 ( -0.095 0.069 -1.281) 1.287 47.884 ( -2.212 -2.024 -8.175) 8.708 47.884 ( -2.212 2.024 -8.175) 8.708 48.201 ( 8.155 -1.679 -14.565) 16.777 48.201 ( 8.155 1.679 -14.565) 16.777 ======================= Grid point 202 (73/120) ======================= q-point: ( 0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 4.098 -3.316 6.455) 8.334 1.449 ( 4.098 3.316 6.455) 8.334 2.003 ( 6.033 -8.010 3.053) 10.482 2.003 ( 6.033 8.010 3.053) 10.482 2.166 ( -0.213 -4.206 3.480) 5.463 2.166 ( -0.213 4.206 3.480) 5.463 2.436 ( 2.624 -2.783 2.318) 4.472 2.436 ( 2.624 2.783 2.318) 4.472 2.683 ( -2.870 -0.227 9.277) 9.714 2.683 ( -2.870 0.227 9.277) 9.714 2.852 ( 1.943 -1.097 10.039) 10.284 2.852 ( 1.943 1.097 10.039) 10.284 3.282 ( -0.779 -1.277 0.272) 1.520 3.282 ( -0.779 1.277 0.272) 1.520 3.492 ( -4.646 -1.437 9.149) 10.361 3.492 ( -4.646 1.437 9.149) 10.361 3.601 ( -3.626 -3.358 -3.656) 6.147 3.601 ( -3.626 3.358 -3.656) 6.147 3.850 ( 4.254 -1.766 -3.583) 5.836 3.850 ( 4.254 1.766 -3.583) 5.836 3.987 ( 3.150 -3.301 9.880) 10.883 3.987 ( 3.150 3.301 9.880) 10.883 4.205 ( 3.571 -6.397 12.030) 14.085 4.205 ( 3.571 6.397 12.030) 14.085 4.960 ( -2.375 -3.684 12.745) 13.478 4.960 ( -2.375 3.684 12.745) 13.478 9.608 ( -0.374 -1.537 -1.882) 2.458 9.608 ( -0.374 1.537 -1.882) 2.458 13.217 ( 0.563 -0.141 -0.946) 1.109 13.217 ( 0.563 0.141 -0.946) 1.109 14.461 ( -1.757 -2.770 3.792) 5.014 14.461 ( -1.757 2.770 3.792) 5.014 16.298 ( -1.905 -0.727 -0.267) 2.056 16.298 ( -1.905 0.727 -0.267) 2.056 21.924 ( 0.060 -1.104 -2.955) 3.156 21.924 ( 0.060 1.104 -2.955) 3.156 25.156 ( -0.026 -0.025 1.368) 1.368 25.156 ( -0.026 0.025 1.368) 1.368 25.271 ( -0.123 -0.340 -0.742) 0.826 25.271 ( -0.123 0.340 -0.742) 0.826 39.102 ( 0.923 -2.837 -4.329) 5.257 39.102 ( 0.923 2.837 -4.329) 5.257 41.618 ( -0.042 -0.104 -1.331) 1.336 41.618 ( -0.042 0.104 -1.331) 1.336 47.846 ( -1.521 -1.368 -8.346) 8.593 47.846 ( -1.521 1.368 -8.346) 8.593 48.378 ( 8.854 -0.625 -19.359) 21.297 48.378 ( 8.854 0.625 -19.359) 21.297 ======================= Grid point 204 (74/120) ======================= q-point: ( 0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 4.361 -1.480 3.632) 5.865 1.540 ( 4.361 1.480 3.632) 5.865 2.006 ( -2.849 -4.336 3.138) 6.063 2.006 ( -2.849 4.336 3.138) 6.063 2.263 ( 7.541 -5.321 4.835) 10.419 2.263 ( 7.541 5.321 4.835) 10.419 2.462 ( -0.462 -2.179 1.709) 2.808 2.462 ( -0.462 2.179 1.709) 2.808 2.624 ( -2.774 -0.788 9.822) 10.237 2.624 ( -2.774 0.788 9.822) 10.237 2.873 ( -0.028 -2.140 4.029) 4.562 2.873 ( -0.028 2.140 4.029) 4.562 3.299 ( 2.355 -2.166 0.999) 3.351 3.299 ( 2.355 2.166 0.999) 3.351 3.412 ( -2.500 -0.589 9.016) 9.374 3.412 ( -2.500 0.589 9.016) 9.374 3.520 ( -4.463 -2.217 -3.941) 6.354 3.520 ( -4.463 2.217 -3.941) 6.354 3.874 ( -0.721 -1.800 5.570) 5.898 3.874 ( -0.721 1.800 5.570) 5.898 4.090 ( 5.795 -4.196 3.285) 7.873 4.090 ( 5.795 4.196 3.285) 7.873 4.247 ( 0.442 -5.055 11.276) 12.365 4.247 ( 0.442 5.055 11.276) 12.365 4.932 ( -0.473 -2.682 16.702) 16.922 4.932 ( -0.473 2.682 16.702) 16.922 9.602 ( -0.208 -0.874 -1.363) 1.632 9.602 ( -0.208 0.874 -1.363) 1.632 13.227 ( 0.348 -0.086 -1.363) 1.409 13.227 ( 0.348 0.086 -1.363) 1.409 14.432 ( -1.057 -1.294 4.052) 4.383 14.432 ( -1.057 1.294 4.052) 4.383 16.267 ( -1.102 -0.399 -0.461) 1.260 16.267 ( -1.102 0.399 -0.461) 1.260 21.925 ( 0.078 -0.580 -2.813) 2.873 21.925 ( 0.078 0.580 -2.813) 2.873 25.155 ( -0.014 -0.013 1.373) 1.373 25.155 ( -0.014 0.013 1.373) 1.373 25.269 ( -0.059 -0.189 -0.767) 0.792 25.269 ( -0.059 0.189 -0.767) 0.792 39.117 ( 0.524 -1.591 -3.773) 4.128 39.117 ( 0.524 1.591 -3.773) 4.128 41.618 ( 0.022 -0.129 -1.407) 1.413 41.618 ( 0.022 0.129 -1.407) 1.413 47.824 ( -0.784 -0.694 -9.062) 9.122 47.824 ( -0.784 0.694 -9.062) 9.122 48.524 ( 5.326 -0.821 -22.794) 23.423 48.524 ( 5.326 0.821 -22.794) 23.423 ======================= Grid point 206 (75/120) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 0.000 -0.000 1.705) 1.705 1.590 ( 0.000 0.000 1.705) 1.705 1.969 ( 0.000 -0.000 4.775) 4.775 1.969 ( 0.000 0.000 4.775) 4.775 2.397 ( -0.000 -0.000 3.680) 3.680 2.397 ( -0.000 0.000 3.680) 3.680 2.405 ( 0.000 -0.000 4.519) 4.519 2.405 ( 0.000 0.000 4.519) 4.519 2.591 ( 0.000 0.000 7.732) 7.732 2.591 ( -0.000 0.000 7.732) 7.732 2.867 ( -0.000 0.000 2.170) 2.170 2.867 ( 0.000 0.000 2.170) 2.170 3.336 ( 0.000 0.000 3.306) 3.306 3.336 ( 0.000 0.000 3.306) 3.306 3.404 ( 0.000 0.000 6.757) 6.757 3.404 ( 0.000 -0.000 6.757) 6.757 3.450 ( -0.000 -0.000 -4.581) 4.581 3.450 ( -0.000 0.000 -4.581) 4.581 3.862 ( 0.000 0.000 7.851) 7.851 3.862 ( 0.000 0.000 7.851) 7.851 4.164 ( -0.000 -0.000 0.379) 0.379 4.164 ( 0.000 0.000 0.379) 0.379 4.237 ( 0.000 -0.000 13.338) 13.338 4.237 ( 0.000 0.000 13.338) 13.338 4.930 ( 0.000 0.000 18.033) 18.033 4.930 ( -0.000 0.000 18.033) 18.033 9.600 ( 0.000 0.000 -1.160) 1.160 9.600 ( 0.000 0.000 -1.160) 1.160 13.230 ( 0.000 0.000 -1.516) 1.516 13.230 ( 0.000 0.000 -1.516) 1.516 14.421 ( 0.000 0.000 4.118) 4.118 14.421 ( 0.000 0.000 4.118) 4.118 16.256 ( 0.000 0.000 -0.593) 0.593 16.256 ( 0.000 0.000 -0.593) 0.593 21.926 ( 0.000 0.000 -2.767) 2.767 21.926 ( 0.000 0.000 -2.767) 2.767 25.155 ( 0.000 0.000 1.373) 1.373 25.155 ( 0.000 0.000 1.373) 1.373 25.269 ( 0.000 0.000 -0.773) 0.773 25.269 ( 0.000 0.000 -0.773) 0.773 39.122 ( 0.000 0.000 -3.529) 3.529 39.122 ( 0.000 0.000 -3.529) 3.529 41.618 ( 0.000 0.000 -1.442) 1.442 41.618 ( 0.000 0.000 -1.442) 1.442 47.816 ( 0.000 0.000 -9.415) 9.415 47.816 ( 0.000 0.000 -9.415) 9.415 48.578 ( 0.000 0.000 -23.969) 23.969 48.578 ( 0.000 0.000 -23.969) 23.969 ======================= Grid point 225 (76/120) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 0.000 12.213) 12.213 1.490 ( 0.000 0.000 10.706) 10.706 1.835 ( 0.000 0.000 -0.485) 0.485 2.102 ( 0.000 0.000 4.931) 4.931 2.143 ( 0.000 0.000 8.563) 8.563 2.231 ( 0.000 0.000 -4.362) 4.362 2.459 ( 0.000 0.000 2.665) 2.665 2.538 ( 0.000 0.000 -2.447) 2.447 2.776 ( 0.000 0.000 3.312) 3.312 2.812 ( 0.000 0.000 2.516) 2.516 2.969 ( 0.000 0.000 4.926) 4.926 3.106 ( 0.000 0.000 -8.233) 8.233 3.237 ( 0.000 0.000 22.277) 22.277 3.268 ( 0.000 0.000 -6.572) 6.572 3.467 ( 0.000 0.000 -1.841) 1.841 3.512 ( 0.000 0.000 -1.183) 1.183 3.604 ( 0.000 0.000 1.285) 1.285 3.671 ( 0.000 0.000 0.755) 0.755 3.917 ( 0.000 0.000 10.347) 10.347 3.923 ( 0.000 0.000 10.138) 10.138 3.941 ( 0.000 0.000 6.536) 6.536 4.103 ( 0.000 0.000 8.915) 8.915 4.448 ( 0.000 0.000 9.496) 9.496 4.451 ( 0.000 0.000 10.817) 10.817 5.047 ( 0.000 0.000 -6.120) 6.120 5.200 ( 0.000 0.000 10.154) 10.154 9.532 ( 0.000 0.000 -1.181) 1.181 9.596 ( 0.000 0.000 -3.152) 3.152 13.197 ( 0.000 0.000 -0.780) 0.780 13.211 ( 0.000 0.000 0.122) 0.122 14.456 ( 0.000 0.000 2.485) 2.485 14.682 ( 0.000 0.000 0.291) 0.291 16.339 ( 0.000 0.000 -0.085) 0.085 16.371 ( 0.000 0.000 -0.819) 0.819 21.829 ( 0.000 0.000 -1.665) 1.665 21.900 ( 0.000 0.000 -2.607) 2.607 25.178 ( 0.000 0.000 1.010) 1.010 25.181 ( 0.000 0.000 1.061) 1.061 25.254 ( 0.000 0.000 -0.445) 0.445 25.274 ( 0.000 0.000 -0.613) 0.613 38.900 ( 0.000 0.000 -1.952) 1.952 39.064 ( 0.000 0.000 -3.815) 3.815 41.595 ( 0.000 0.000 -1.155) 1.155 41.606 ( 0.000 0.000 -1.130) 1.130 47.767 ( 0.000 0.000 -10.811) 10.811 47.781 ( 0.000 0.000 -3.680) 3.680 47.817 ( 0.000 0.000 -5.571) 5.571 47.952 ( 0.000 0.000 -8.660) 8.660 ======================= Grid point 226 (77/120) ======================= q-point: ( 0.12 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 3.289 0.000 10.313) 10.825 1.538 ( 3.693 0.000 6.931) 7.853 1.811 ( -0.615 0.000 2.945) 3.009 2.131 ( -0.517 0.000 6.472) 6.492 2.183 ( 6.422 0.000 2.254) 6.806 2.271 ( 3.148 0.000 -3.477) 4.690 2.436 ( -2.109 0.000 2.694) 3.421 2.530 ( -0.717 0.000 -2.157) 2.273 2.778 ( 0.018 0.000 3.132) 3.132 2.805 ( -0.917 0.000 3.448) 3.568 2.961 ( -1.021 0.000 4.754) 4.863 3.114 ( 0.839 0.000 -7.617) 7.663 3.198 ( -1.989 0.000 15.681) 15.806 3.373 ( 4.837 0.000 -2.430) 5.413 3.482 ( 4.763 0.000 -1.492) 4.991 3.527 ( 0.537 0.000 1.554) 1.645 3.604 ( 1.267 0.000 -1.189) 1.738 3.646 ( -2.436 0.000 0.649) 2.521 3.777 ( -6.946 0.000 8.560) 11.023 3.876 ( -4.624 0.000 8.993) 10.112 4.057 ( 4.962 0.000 8.783) 10.088 4.113 ( 0.946 0.000 9.107) 9.156 4.376 ( -1.365 0.000 9.647) 9.743 4.618 ( 10.474 0.000 11.135) 15.287 5.001 ( -4.418 0.000 -1.670) 4.723 5.209 ( 0.841 0.000 8.718) 8.759 9.535 ( 0.283 0.000 -0.997) 1.036 9.595 ( -0.145 0.000 -2.901) 2.904 13.198 ( 0.074 0.000 -0.858) 0.862 13.211 ( 0.034 0.000 -0.064) 0.072 14.455 ( -0.023 0.000 2.532) 2.533 14.657 ( -2.361 0.000 0.827) 2.501 16.321 ( -1.612 0.000 -0.130) 1.618 16.355 ( -1.580 0.000 -0.726) 1.739 21.835 ( 0.547 0.000 -1.717) 1.802 21.899 ( -0.108 0.000 -2.579) 2.581 25.178 ( 0.008 0.000 1.012) 1.012 25.181 ( -0.014 0.000 1.059) 1.059 25.251 ( -0.210 0.000 -0.444) 0.491 25.271 ( -0.209 0.000 -0.579) 0.615 38.917 ( 1.633 0.000 -1.991) 2.575 39.072 ( 0.693 0.000 -3.787) 3.850 41.596 ( 0.067 0.000 -1.168) 1.170 41.602 ( -0.370 0.000 -1.075) 1.137 47.710 ( -2.457 0.000 -6.129) 6.603 47.791 ( -2.296 0.000 -5.548) 6.004 47.882 ( 6.559 0.000 -10.542) 12.416 47.987 ( 3.110 0.000 -10.053) 10.523 ======================= Grid point 227 (78/120) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 3.240 0.000 6.105) 6.911 1.586 ( 1.042 0.000 1.615) 1.922 1.858 ( 5.053 0.000 5.377) 7.378 2.141 ( 1.764 0.000 6.045) 6.297 2.300 ( -1.933 0.000 -4.731) 5.111 2.305 ( 5.135 0.000 -1.039) 5.239 2.422 ( 2.460 0.000 1.527) 2.895 2.511 ( -1.154 0.000 -1.156) 1.634 2.767 ( -1.149 0.000 2.243) 2.520 2.779 ( -1.243 0.000 4.808) 4.966 2.927 ( -2.298 0.000 5.559) 6.016 3.139 ( 1.739 0.000 -4.981) 5.276 3.150 ( -3.204 0.000 12.275) 12.686 3.382 ( -0.909 0.000 -0.672) 1.131 3.499 ( -2.730 0.000 1.481) 3.106 3.554 ( -5.063 0.000 -0.083) 5.064 3.657 ( -1.959 0.000 6.450) 6.740 3.707 ( 10.897 0.000 -3.873) 11.565 3.712 ( 5.652 0.000 0.854) 5.716 3.757 ( -5.846 0.000 8.549) 10.357 4.126 ( 2.096 0.000 9.172) 9.408 4.137 ( 1.348 0.000 8.856) 8.958 4.389 ( 2.435 0.000 9.205) 9.522 4.841 ( 11.346 0.000 12.577) 16.939 4.884 ( -7.126 0.000 3.958) 8.152 5.228 ( 0.854 0.000 9.555) 9.593 9.543 ( 0.582 0.000 -0.642) 0.866 9.590 ( -0.306 0.000 -2.245) 2.266 13.200 ( 0.147 0.000 -1.041) 1.052 13.211 ( 0.003 0.000 -0.517) 0.517 14.457 ( 0.236 0.000 2.643) 2.653 14.598 ( -3.234 0.000 1.854) 3.728 16.284 ( -1.914 0.000 -0.315) 1.940 16.315 ( -2.228 0.000 -0.595) 2.307 21.849 ( 0.842 0.000 -1.848) 2.031 21.896 ( -0.220 0.000 -2.491) 2.501 25.178 ( 0.014 0.000 1.015) 1.015 25.180 ( -0.026 0.000 1.053) 1.053 25.247 ( -0.132 0.000 -0.470) 0.489 25.266 ( -0.333 0.000 -0.524) 0.621 38.960 ( 2.565 0.000 -2.075) 3.299 39.085 ( 0.394 0.000 -3.528) 3.550 41.595 ( -0.312 0.000 -1.024) 1.071 41.597 ( 0.025 0.000 -1.196) 1.197 47.670 ( -1.608 0.000 -6.111) 6.319 47.737 ( -2.872 0.000 -5.932) 6.590 48.018 ( 6.553 0.000 -15.023) 16.390 48.060 ( 3.921 0.000 -13.048) 13.624 ======================= Grid point 228 (79/120) ======================= q-point: ( 0.38 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.708 0.000 1.239) 1.427 1.616 ( 0.909 0.000 3.045) 3.178 1.974 ( 6.042 0.000 2.431) 6.513 2.175 ( -1.310 0.000 0.459) 1.388 2.248 ( 0.456 0.000 2.104) 2.153 2.363 ( 0.248 0.000 -1.911) 1.927 2.492 ( 2.675 0.000 -4.531) 5.261 2.492 ( -0.304 0.000 -1.092) 1.134 2.763 ( 1.988 0.000 3.882) 4.361 2.772 ( 0.710 0.000 6.124) 6.165 2.878 ( -2.278 0.000 6.206) 6.611 3.055 ( -6.660 0.000 6.637) 9.402 3.190 ( 3.600 0.000 -1.483) 3.893 3.372 ( -0.338 0.000 -0.768) 0.839 3.430 ( -6.525 0.000 1.213) 6.637 3.442 ( -2.730 0.000 -0.070) 2.731 3.613 ( -1.574 0.000 8.498) 8.643 3.634 ( -4.173 0.000 7.943) 8.973 3.862 ( 7.202 0.000 -0.982) 7.268 3.903 ( 6.314 0.000 -1.718) 6.544 4.151 ( 0.758 0.000 9.254) 9.285 4.161 ( 0.852 0.000 7.952) 7.997 4.464 ( 5.011 0.000 8.998) 10.299 4.732 ( -7.892 0.000 7.169) 10.662 5.045 ( 8.841 0.000 13.503) 16.140 5.231 ( -0.862 0.000 11.898) 11.929 9.557 ( 0.733 0.000 -0.494) 0.884 9.582 ( -0.489 0.000 -1.437) 1.518 13.204 ( 0.201 0.000 -1.209) 1.225 13.211 ( -0.097 0.000 -0.978) 0.983 14.467 ( 0.858 0.000 2.753) 2.884 14.538 ( -2.744 0.000 2.554) 3.748 16.254 ( -0.926 0.000 -0.560) 1.083 16.274 ( -1.763 0.000 -0.603) 1.863 21.866 ( 0.819 0.000 -2.013) 2.173 21.890 ( -0.377 0.000 -2.351) 2.381 25.179 ( 0.017 0.000 1.022) 1.022 25.180 ( -0.030 0.000 1.044) 1.045 25.247 ( 0.122 0.000 -0.519) 0.533 25.259 ( -0.371 0.000 -0.513) 0.634 39.013 ( 2.572 0.000 -2.204) 3.387 39.083 ( -0.680 0.000 -2.999) 3.075 41.591 ( -0.009 0.000 -1.075) 1.075 41.596 ( -0.108 0.000 -1.205) 1.210 47.648 ( -0.538 0.000 -6.622) 6.644 47.684 ( -2.311 0.000 -6.541) 6.938 48.123 ( 3.696 0.000 -17.794) 18.174 48.129 ( 2.788 0.000 -16.116) 16.356 ======================= Grid point 229 (80/120) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -0.647 0.000 1.955) 2.059 1.615 ( 0.647 0.000 1.955) 2.059 2.088 ( -5.464 0.000 -0.942) 5.545 2.088 ( 5.464 0.000 -0.942) 5.545 2.318 ( -4.052 0.000 2.342) 4.680 2.318 ( 4.052 0.000 2.342) 4.680 2.503 ( -0.825 0.000 -4.575) 4.648 2.503 ( 0.825 0.000 -4.575) 4.648 2.800 ( -1.238 0.000 7.047) 7.155 2.800 ( 1.238 0.000 7.047) 7.155 2.904 ( -6.991 0.000 3.711) 7.915 2.904 ( 6.991 0.000 3.711) 7.915 3.286 ( -6.009 0.000 0.128) 6.010 3.286 ( 6.009 0.000 0.128) 6.010 3.398 ( -1.485 0.000 -0.065) 1.486 3.398 ( 1.485 0.000 -0.065) 1.486 3.596 ( -0.059 0.000 8.591) 8.591 3.596 ( 0.059 0.000 8.591) 8.591 3.953 ( -1.287 0.000 -1.025) 1.646 3.953 ( 1.287 0.000 -1.025) 1.646 4.164 ( -0.492 0.000 8.390) 8.405 4.164 ( 0.492 0.000 8.390) 8.405 4.583 ( -6.912 0.000 8.588) 11.024 4.583 ( 6.912 0.000 8.588) 11.024 5.180 ( -4.613 0.000 13.340) 14.115 5.180 ( 4.613 0.000 13.340) 14.115 9.571 ( -0.666 0.000 -0.775) 1.022 9.571 ( 0.666 0.000 -0.775) 1.022 13.208 ( -0.189 0.000 -1.221) 1.236 13.208 ( 0.189 0.000 -1.221) 1.236 14.493 ( -1.765 0.000 2.781) 3.294 14.493 ( 1.765 0.000 2.781) 3.294 16.250 ( -0.540 0.000 -0.658) 0.852 16.250 ( 0.540 0.000 -0.658) 0.852 21.880 ( -0.606 0.000 -2.185) 2.268 21.880 ( 0.606 0.000 -2.185) 2.268 25.179 ( -0.025 0.000 1.033) 1.034 25.179 ( 0.025 0.000 1.033) 1.034 25.252 ( -0.314 0.000 -0.532) 0.618 25.252 ( 0.314 0.000 -0.532) 0.618 39.057 ( -1.834 0.000 -2.493) 3.095 39.057 ( 1.834 0.000 -2.493) 3.095 41.593 ( -0.164 0.000 -1.161) 1.173 41.593 ( 0.164 0.000 -1.161) 1.173 47.651 ( -0.951 0.000 -6.851) 6.917 47.651 ( 0.951 0.000 -6.851) 6.917 48.159 ( -0.019 0.000 -18.017) 18.017 48.159 ( 0.019 0.000 -18.017) 18.017 ======================= Grid point 234 (81/120) ======================= q-point: ( 0.00 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.000 3.029 9.002) 9.498 1.514 ( 0.000 1.916 9.118) 9.317 1.825 ( 0.000 -0.214 4.524) 4.530 2.015 ( 0.000 -6.491 5.503) 8.510 2.191 ( 0.000 3.683 4.985) 6.198 2.255 ( 0.000 1.486 -2.598) 2.993 2.429 ( 0.000 -2.483 3.589) 4.364 2.470 ( 0.000 -4.669 0.239) 4.675 2.813 ( 0.000 2.405 2.123) 3.208 2.842 ( 0.000 1.723 1.929) 2.586 2.989 ( 0.000 1.846 5.192) 5.511 3.073 ( 0.000 -1.671 1.584) 2.302 3.263 ( 0.000 0.095 -5.927) 5.928 3.332 ( 0.000 5.544 10.438) 11.820 3.392 ( 0.000 -3.832 -3.321) 5.071 3.529 ( 0.000 -4.060 1.176) 4.227 3.589 ( 0.000 4.664 -0.759) 4.725 3.712 ( 0.000 1.194 0.701) 1.384 3.911 ( 0.000 -0.217 9.437) 9.439 3.913 ( 0.000 -0.273 10.172) 10.176 4.019 ( 0.000 5.412 6.360) 8.351 4.135 ( 0.000 2.584 8.994) 9.357 4.373 ( 0.000 -5.869 7.730) 9.706 4.395 ( 0.000 -4.565 10.741) 11.671 5.085 ( 0.000 2.940 -1.847) 3.472 5.191 ( 0.000 -0.940 8.710) 8.761 9.544 ( 0.000 1.006 -1.462) 1.775 9.590 ( 0.000 -0.606 -2.864) 2.927 13.196 ( 0.000 -0.042 -0.579) 0.580 13.206 ( 0.000 -0.384 0.077) 0.391 14.484 ( 0.000 2.510 2.365) 3.448 14.643 ( 0.000 -3.202 0.866) 3.317 16.339 ( 0.000 0.093 -0.107) 0.142 16.362 ( 0.000 -0.710 -0.652) 0.964 21.841 ( 0.000 1.029 -1.892) 2.154 21.891 ( 0.000 -0.768 -2.536) 2.650 25.179 ( 0.000 0.057 1.010) 1.011 25.181 ( 0.000 -0.010 1.043) 1.043 25.256 ( 0.000 0.232 -0.471) 0.525 25.270 ( 0.000 -0.268 -0.591) 0.649 38.930 ( 0.000 2.439 -2.468) 3.469 39.045 ( 0.000 -1.708 -3.738) 4.110 41.595 ( 0.000 0.024 -1.106) 1.107 41.603 ( 0.000 -0.260 -1.078) 1.109 47.760 ( 0.000 -0.817 -5.080) 5.145 47.761 ( 0.000 -0.449 -9.733) 9.743 47.861 ( 0.000 2.731 -5.964) 6.559 47.945 ( 0.000 -0.718 -8.490) 8.520 ======================= Grid point 235 (82/120) ======================= q-point: ( 0.12 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 1.704 1.035 9.462) 9.670 1.560 ( 1.964 0.687 4.864) 5.291 1.835 ( 2.386 2.707 5.872) 6.892 2.086 ( 4.644 -5.929 1.940) 7.777 2.177 ( 0.580 2.327 5.788) 6.265 2.281 ( 1.000 -0.138 -2.961) 3.128 2.410 ( -0.437 -1.454 3.894) 4.180 2.488 ( 0.818 -3.013 0.087) 3.123 2.809 ( -0.463 2.151 2.558) 3.374 2.835 ( -0.781 1.707 2.977) 3.519 2.978 ( -1.185 1.628 4.516) 4.945 3.066 ( -0.748 -2.220 1.668) 2.876 3.253 ( -0.103 1.717 0.554) 1.807 3.386 ( 0.817 -2.299 4.157) 4.820 3.419 ( 1.986 0.639 -3.099) 3.736 3.517 ( 3.371 -1.160 -0.359) 3.583 3.631 ( 2.926 2.606 -1.062) 4.060 3.691 ( -1.527 2.158 0.868) 2.782 3.804 ( -6.329 1.723 8.240) 10.532 3.866 ( -4.985 -0.918 8.831) 10.183 4.093 ( 3.966 2.995 8.187) 9.577 4.146 ( 1.043 2.715 9.086) 9.540 4.334 ( -0.242 -3.026 9.198) 9.686 4.509 ( 7.070 -8.059 9.409) 14.264 5.068 ( -1.285 4.565 1.970) 5.135 5.201 ( 0.926 -0.939 8.212) 8.317 9.546 ( 0.238 0.966 -1.276) 1.618 9.589 ( -0.066 -0.541 -2.630) 2.686 13.197 ( 0.083 -0.034 -0.676) 0.682 13.206 ( 0.063 -0.362 -0.114) 0.385 14.481 ( -0.305 2.251 2.440) 3.334 14.623 ( -1.944 -2.837 1.272) 3.667 16.322 ( -1.595 0.113 -0.125) 1.604 16.346 ( -1.560 -0.705 -0.581) 1.808 21.845 ( 0.393 0.901 -1.904) 2.143 21.891 ( -0.062 -0.723 -2.499) 2.602 25.179 ( 0.000 0.052 1.013) 1.014 25.181 ( -0.014 -0.010 1.044) 1.044 25.254 ( -0.180 0.259 -0.477) 0.572 25.269 ( -0.176 -0.247 -0.576) 0.651 38.945 ( 1.429 2.278 -2.451) 3.638 39.054 ( 0.776 -1.642 -3.686) 4.109 41.596 ( 0.022 -0.023 -1.120) 1.121 41.600 ( -0.285 -0.181 -1.047) 1.100 47.716 ( -2.163 0.558 -6.300) 6.685 47.767 ( -1.446 -1.588 -6.564) 6.907 47.914 ( 5.060 2.179 -9.756) 11.204 47.981 ( 3.267 -0.560 -10.053) 10.585 ======================= Grid point 236 (83/120) ======================= q-point: ( 0.25 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 3.110 -0.446 6.487) 7.208 1.582 ( 0.788 -0.549 2.546) 2.721 1.917 ( 4.765 4.670 3.577) 7.570 2.128 ( 1.124 -2.012 2.859) 3.673 2.253 ( 1.662 -2.675 1.504) 3.490 2.273 ( 2.389 -2.324 -0.711) 3.408 2.432 ( 1.828 0.741 1.443) 2.444 2.491 ( -0.387 -1.588 -0.543) 1.723 2.787 ( -1.985 1.994 2.869) 4.019 2.819 ( -0.434 2.156 4.792) 5.273 2.941 ( -2.496 1.412 4.253) 5.129 3.047 ( -1.000 -3.227 2.546) 4.230 3.261 ( 0.586 3.049 1.590) 3.488 3.349 ( -2.433 -2.917 3.150) 4.935 3.423 ( -1.343 -0.473 -3.239) 3.538 3.564 ( -3.237 -2.287 -0.691) 4.023 3.669 ( -3.007 1.155 6.458) 7.217 3.728 ( 0.010 0.367 0.817) 0.896 3.759 ( 2.903 1.791 4.676) 5.788 3.767 ( 5.007 2.849 1.705) 6.008 4.145 ( 1.531 1.642 9.253) 9.522 4.171 ( 1.247 2.432 8.310) 8.748 4.365 ( 2.972 -1.190 9.202) 9.743 4.620 ( 2.970 -10.800 8.742) 14.209 5.063 ( 1.578 7.351 8.414) 11.284 5.224 ( 1.239 -0.630 9.700) 9.799 9.554 ( 0.477 0.832 -0.898) 1.314 9.587 ( -0.152 -0.346 -2.039) 2.074 13.199 ( 0.143 -0.028 -0.913) 0.925 13.208 ( 0.043 -0.310 -0.556) 0.638 14.475 ( -0.210 1.596 2.603) 3.060 14.575 ( -2.652 -1.977 2.060) 3.897 16.284 ( -1.927 0.120 -0.260) 1.948 16.307 ( -2.151 -0.640 -0.501) 2.299 21.856 ( 0.617 0.588 -1.950) 2.128 21.889 ( -0.127 -0.589 -2.402) 2.476 25.179 ( 0.003 0.036 1.020) 1.021 25.180 ( -0.026 -0.009 1.044) 1.044 25.251 ( -0.127 0.288 -0.513) 0.602 25.264 ( -0.268 -0.175 -0.557) 0.643 38.982 ( 2.178 1.795 -2.399) 3.704 39.069 ( 0.653 -1.347 -3.412) 3.726 41.594 ( -0.241 -0.041 -1.030) 1.059 41.596 ( -0.005 -0.102 -1.154) 1.159 47.677 ( -1.682 0.665 -6.278) 6.534 47.724 ( -2.487 -1.076 -6.269) 6.830 48.030 ( 5.869 0.895 -14.495) 15.664 48.058 ( 4.097 -0.196 -13.227) 13.848 ======================= Grid point 237 (84/120) ======================= q-point: ( 0.38 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 1.075 0.031 2.115) 2.373 1.610 ( 1.432 -0.307 2.790) 3.151 2.000 ( 3.741 2.043 2.022) 4.717 2.132 ( -1.871 -3.359 0.688) 3.905 2.256 ( 2.952 1.141 3.168) 4.478 2.370 ( 3.138 -1.152 -3.301) 4.698 2.450 ( 0.132 -1.461 -0.330) 1.504 2.482 ( -0.256 -1.139 -1.473) 1.880 2.742 ( -1.638 0.639 3.837) 4.220 2.815 ( -1.324 -0.169 6.500) 6.636 2.901 ( -0.043 3.105 4.201) 5.224 3.020 ( -2.238 -1.825 5.305) 6.040 3.264 ( 0.134 3.757 0.888) 3.863 3.338 ( 1.367 -2.841 -0.521) 3.195 3.370 ( -3.660 -0.607 -2.785) 4.639 3.473 ( -4.946 -0.670 -1.007) 5.092 3.615 ( -1.933 0.154 8.255) 8.480 3.629 ( -3.734 -0.374 8.040) 8.872 3.887 ( 5.597 1.734 0.568) 5.887 3.911 ( 5.355 0.610 -0.456) 5.408 4.169 ( 1.235 1.718 8.820) 9.071 4.193 ( 0.879 2.157 6.822) 7.209 4.438 ( 4.215 -1.508 9.329) 10.347 4.612 ( -3.160 -8.005 8.419) 12.040 5.134 ( 4.693 5.381 12.504) 14.399 5.240 ( 0.021 0.339 12.061) 12.066 9.564 ( 0.575 0.598 -0.676) 1.070 9.583 ( -0.292 -0.046 -1.348) 1.380 13.203 ( 0.164 -0.067 -1.138) 1.151 13.208 ( -0.049 -0.238 -0.983) 1.012 14.476 ( 0.362 0.771 2.746) 2.875 14.526 ( -2.180 -1.007 2.608) 3.546 16.254 ( -1.010 0.024 -0.485) 1.121 16.268 ( -1.624 -0.454 -0.545) 1.772 21.868 ( 0.604 0.223 -2.034) 2.133 21.885 ( -0.242 -0.379 -2.274) 2.318 25.179 ( 0.008 0.019 1.028) 1.028 25.180 ( -0.027 -0.004 1.041) 1.041 25.250 ( 0.070 0.240 -0.567) 0.619 25.258 ( -0.281 -0.049 -0.567) 0.635 39.025 ( 2.060 1.035 -2.374) 3.309 39.074 ( -0.235 -0.728 -2.932) 3.030 41.592 ( -0.013 0.012 -1.088) 1.089 41.595 ( -0.083 -0.111 -1.181) 1.190 47.652 ( -0.751 0.392 -6.747) 6.800 47.678 ( -1.989 -0.543 -6.712) 7.022 48.125 ( 3.451 0.203 -17.400) 17.740 48.130 ( 2.829 0.027 -16.232) 16.476 ======================= Grid point 238 (85/120) ======================= q-point: (-0.50 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -0.475 0.217 1.713) 1.791 1.618 ( 0.475 0.217 1.713) 1.791 2.072 ( -3.543 -1.258 1.370) 4.001 2.072 ( 3.543 -1.258 1.370) 4.001 2.342 ( -4.411 2.022 0.078) 4.853 2.342 ( 4.411 2.022 0.078) 4.853 2.472 ( -1.107 -2.525 -2.984) 4.063 2.472 ( 1.107 -2.525 -2.984) 4.063 2.756 ( -2.992 -2.021 5.610) 6.672 2.756 ( 2.992 -2.021 5.611) 6.672 2.953 ( -3.970 2.553 5.932) 7.580 2.953 ( 3.970 2.553 5.932) 7.580 3.296 ( -3.175 1.060 -1.155) 3.541 3.296 ( 3.175 1.060 -1.155) 3.541 3.387 ( -3.481 -1.187 -1.668) 4.038 3.387 ( 3.481 -1.187 -1.668) 4.038 3.595 ( -0.127 -0.081 8.591) 8.592 3.595 ( 0.127 -0.081 8.591) 8.592 3.954 ( -0.783 0.097 1.078) 1.336 3.954 ( 0.783 0.097 1.078) 1.336 4.194 ( -0.894 2.349 6.872) 7.317 4.194 ( 0.894 2.349 6.872) 7.317 4.528 ( -4.728 -3.973 9.093) 10.992 4.528 ( 4.728 -3.973 9.093) 10.992 5.213 ( -2.819 2.265 13.227) 13.713 5.213 ( 2.819 2.265 13.227) 13.713 9.575 ( -0.473 0.291 -0.831) 0.999 9.575 ( 0.473 0.291 -0.831) 0.999 13.206 ( -0.135 -0.149 -1.190) 1.207 13.206 ( 0.135 -0.149 -1.190) 1.207 14.491 ( -1.247 -0.095 2.787) 3.055 14.491 ( 1.247 -0.095 2.787) 3.055 16.248 ( -0.398 -0.194 -0.597) 0.743 16.248 ( 0.398 -0.194 -0.597) 0.743 21.879 ( -0.430 -0.106 -2.146) 2.191 21.879 ( 0.430 -0.106 -2.146) 2.191 25.179 ( -0.018 0.006 1.035) 1.035 25.179 ( 0.018 0.006 1.035) 1.035 25.253 ( -0.224 0.109 -0.585) 0.636 25.253 ( 0.224 0.109 -0.585) 0.636 39.059 ( -1.296 0.130 -2.527) 2.842 39.059 ( 1.296 0.130 -2.527) 2.842 41.593 ( -0.117 -0.042 -1.160) 1.167 41.593 ( 0.117 -0.042 -1.160) 1.167 47.651 ( -0.670 -0.039 -6.976) 7.008 47.651 ( 0.670 -0.039 -6.976) 7.008 48.160 ( -0.015 0.046 -17.884) 17.884 48.160 ( 0.015 0.046 -17.884) 17.884 ======================= Grid point 243 (86/120) ======================= q-point: ( 0.00 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 -0.256 5.959) 5.965 1.547 ( 0.000 0.256 5.959) 5.965 1.873 ( 0.000 -5.101 8.763) 10.140 1.873 ( 0.000 5.101 8.763) 10.140 2.265 ( 0.000 -1.769 -1.059) 2.061 2.265 ( 0.000 1.769 -1.059) 2.061 2.393 ( 0.000 -0.970 4.308) 4.416 2.393 ( 0.000 0.970 4.308) 4.416 2.853 ( 0.000 -0.849 1.753) 1.948 2.853 ( 0.000 0.849 1.753) 1.948 3.037 ( 0.000 -1.945 4.872) 5.246 3.037 ( 0.000 1.945 4.872) 5.246 3.297 ( 0.000 -3.126 -3.595) 4.764 3.297 ( 0.000 3.126 -3.595) 4.764 3.448 ( 0.000 -3.742 1.755) 4.133 3.448 ( 0.000 3.742 1.755) 4.133 3.689 ( 0.000 -3.441 -0.007) 3.441 3.689 ( 0.000 3.441 -0.007) 3.441 3.909 ( 0.000 -0.024 9.808) 9.808 3.909 ( 0.000 0.024 9.808) 9.808 4.146 ( 0.000 -4.458 6.330) 7.743 4.146 ( 0.000 4.458 6.330) 7.743 4.296 ( 0.000 -2.318 9.745) 10.017 4.296 ( 0.000 2.318 9.745) 10.017 5.152 ( 0.000 -2.636 4.552) 5.260 5.152 ( 0.000 2.636 4.552) 5.260 9.570 ( 0.000 -1.150 -2.160) 2.447 9.570 ( 0.000 1.150 -2.160) 2.447 13.198 ( 0.000 -0.231 -0.172) 0.288 13.198 ( 0.000 0.231 -0.172) 0.288 14.559 ( 0.000 -3.990 1.838) 4.393 14.559 ( 0.000 3.990 1.838) 4.393 16.346 ( 0.000 -0.607 -0.311) 0.683 16.346 ( 0.000 0.607 -0.311) 0.683 21.868 ( 0.000 -1.249 -2.289) 2.608 21.868 ( 0.000 1.249 -2.289) 2.608 25.180 ( 0.000 -0.049 1.018) 1.019 25.180 ( 0.000 0.049 1.018) 1.019 25.263 ( 0.000 -0.353 -0.532) 0.639 25.263 ( 0.000 0.353 -0.532) 0.639 38.992 ( 0.000 -2.889 -3.318) 4.400 38.992 ( 0.000 2.889 -3.318) 4.400 41.598 ( 0.000 -0.192 -1.043) 1.061 41.598 ( 0.000 0.192 -1.043) 1.061 47.753 ( 0.000 -0.143 -7.361) 7.362 47.753 ( 0.000 0.143 -7.361) 7.362 47.916 ( 0.000 -1.993 -7.541) 7.800 47.916 ( 0.000 1.993 -7.541) 7.800 ======================= Grid point 245 (87/120) ======================= q-point: ( 0.12 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 0.206 -1.787 6.232) 6.486 1.544 ( 0.206 1.787 6.232) 6.486 1.940 ( 5.509 -6.375 5.659) 10.150 1.940 ( 5.509 6.375 5.659) 10.150 2.242 ( -1.611 -3.016 0.909) 3.538 2.242 ( -1.611 3.016 0.909) 3.538 2.422 ( 2.142 -2.446 2.742) 4.253 2.422 ( 2.142 2.446 2.742) 4.253 2.846 ( -0.575 -0.806 2.771) 2.942 2.846 ( -0.575 0.806 2.771) 2.942 3.023 ( -1.423 -2.002 3.585) 4.346 3.023 ( -1.423 2.002 3.585) 4.346 3.297 ( -0.184 -3.267 -1.194) 3.483 3.297 ( -0.184 3.267 -1.194) 3.483 3.481 ( 2.475 -2.298 -0.309) 3.391 3.481 ( 2.475 2.298 -0.309) 3.391 3.695 ( 1.421 -2.066 -0.369) 2.534 3.695 ( 1.421 2.066 -0.369) 2.534 3.838 ( -5.774 -1.449 8.629) 10.483 3.838 ( -5.774 1.449 8.629) 10.483 4.166 ( 1.253 -2.577 8.161) 8.649 4.166 ( 1.253 2.577 8.161) 8.649 4.339 ( 3.824 -5.551 9.152) 11.367 4.339 ( 3.824 5.551 9.152) 11.367 5.158 ( 0.692 -3.115 6.043) 6.834 5.158 ( 0.692 3.115 6.043) 6.834 9.571 ( 0.103 -1.075 -1.958) 2.236 9.571 ( 0.103 1.075 -1.958) 2.236 13.199 ( 0.092 -0.230 -0.329) 0.412 13.199 ( 0.092 0.230 -0.329) 0.412 14.548 ( -1.058 -3.561 2.029) 4.233 14.548 ( -1.058 3.561 2.029) 4.233 16.330 ( -1.561 -0.629 -0.282) 1.706 16.330 ( -1.561 0.629 -0.282) 1.706 21.869 ( 0.112 -1.133 -2.254) 2.526 21.869 ( 0.112 1.133 -2.254) 2.526 25.180 ( -0.011 -0.046 1.022) 1.023 25.180 ( -0.011 0.046 1.022) 1.023 25.262 ( -0.147 -0.360 -0.541) 0.666 25.262 ( -0.147 0.360 -0.541) 0.666 39.004 ( 1.043 -2.738 -3.244) 4.372 39.004 ( 1.043 2.738 -3.244) 4.372 41.596 ( -0.111 -0.105 -1.046) 1.057 41.596 ( -0.111 0.105 -1.046) 1.057 47.735 ( -1.610 -1.197 -6.702) 6.996 47.735 ( -1.610 1.197 -6.702) 6.996 47.958 ( 3.870 -1.599 -9.833) 10.688 47.958 ( 3.870 1.599 -9.833) 10.688 ======================= Grid point 247 (88/120) ======================= q-point: ( 0.25 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 1.829 -0.738 5.079) 5.448 1.566 ( 1.829 0.738 5.079) 5.448 2.035 ( 3.008 -5.555 0.759) 6.363 2.035 ( 3.008 5.555 0.759) 6.363 2.234 ( 1.600 -0.840 3.490) 3.930 2.234 ( 1.600 0.840 3.490) 3.930 2.455 ( 0.947 -1.445 0.699) 1.863 2.455 ( 0.947 1.445 0.699) 1.863 2.830 ( -1.302 -1.230 4.732) 5.060 2.830 ( -1.302 1.230 4.732) 5.060 2.987 ( -1.691 -2.490 1.893) 3.556 2.987 ( -1.691 2.490 1.893) 3.556 3.290 ( -0.270 -1.713 1.007) 2.005 3.290 ( -0.270 1.713 1.007) 2.005 3.488 ( -2.156 -4.117 -2.128) 5.112 3.488 ( -2.156 4.117 -2.128) 5.112 3.702 ( -4.780 -1.648 6.240) 8.032 3.702 ( -4.780 1.648 6.240) 8.032 3.799 ( 5.903 -0.493 1.017) 6.011 3.799 ( 5.903 0.493 1.017) 6.011 4.186 ( 0.918 -1.502 8.761) 8.936 4.186 ( 0.918 1.502 8.761) 8.936 4.416 ( 3.346 -6.721 8.922) 11.660 4.416 ( 3.346 6.721 8.922) 11.660 5.182 ( 1.818 -3.477 9.408) 10.193 5.182 ( 1.818 3.477 9.408) 10.193 9.574 ( 0.187 -0.841 -1.494) 1.725 9.574 ( 0.187 0.841 -1.494) 1.725 13.201 ( 0.111 -0.206 -0.690) 0.728 13.201 ( 0.111 0.206 -0.690) 0.728 14.522 ( -1.363 -2.510 2.414) 3.739 14.522 ( -1.363 2.510 2.414) 3.739 16.292 ( -2.007 -0.597 -0.308) 2.116 16.292 ( -2.007 0.597 -0.308) 2.116 21.872 ( 0.180 -0.829 -2.182) 2.341 21.872 ( 0.180 0.829 -2.182) 2.341 25.180 ( -0.017 -0.035 1.030) 1.031 25.180 ( -0.017 0.035 1.030) 1.031 25.258 ( -0.162 -0.333 -0.573) 0.682 25.258 ( -0.162 0.333 -0.573) 0.682 39.029 ( 1.352 -2.206 -3.008) 3.968 39.029 ( 1.352 2.206 -3.008) 3.968 41.594 ( -0.102 -0.047 -1.074) 1.080 41.594 ( -0.102 0.047 -1.074) 1.080 47.698 ( -1.955 -1.160 -6.496) 6.882 47.698 ( -1.955 1.160 -6.496) 6.882 48.049 ( 4.755 -0.694 -13.716) 14.533 48.049 ( 4.755 0.694 -13.716) 14.533 ======================= Grid point 249 (89/120) ======================= q-point: ( 0.38 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 1.662 -0.278 2.695) 3.178 1.604 ( 1.662 0.278 2.695) 3.178 2.056 ( -0.095 -3.097 1.844) 3.605 2.056 ( -0.095 3.097 1.844) 3.605 2.305 ( 4.825 -3.219 0.591) 5.830 2.305 ( 4.825 3.219 0.591) 5.830 2.456 ( -0.944 -1.033 -0.623) 1.532 2.456 ( -0.944 1.033 -0.623) 1.532 2.780 ( -3.486 -2.220 4.569) 6.161 2.780 ( -3.486 2.220 4.569) 6.161 2.975 ( 0.413 -2.707 4.772) 5.502 2.975 ( 0.413 2.707 4.772) 5.502 3.295 ( 0.977 -0.842 -0.137) 1.297 3.295 ( 0.977 0.842 -0.137) 1.297 3.420 ( -4.062 -3.518 -3.243) 6.276 3.420 ( -4.062 3.518 -3.243) 6.276 3.620 ( -2.785 -0.348 8.182) 8.650 3.620 ( -2.785 0.348 8.182) 8.650 3.915 ( 4.254 -0.547 1.162) 4.444 3.915 ( 4.254 0.547 1.162) 4.444 4.210 ( 1.554 -1.180 7.086) 7.349 4.210 ( 1.554 1.180 7.086) 7.349 4.461 ( 1.127 -4.519 9.345) 10.441 4.461 ( 1.127 4.519 9.345) 10.441 5.223 ( 1.889 -2.314 12.220) 12.580 5.223 ( 1.889 2.314 12.220) 12.580 9.577 ( 0.160 -0.461 -1.059) 1.166 9.577 ( 0.160 0.461 -1.059) 1.166 13.203 ( 0.063 -0.127 -1.027) 1.036 13.203 ( 0.063 0.127 -1.027) 1.036 14.499 ( -0.876 -1.252 2.701) 3.103 14.499 ( -0.876 1.252 2.701) 3.103 16.258 ( -1.290 -0.379 -0.449) 1.418 16.258 ( -1.290 0.379 -0.449) 1.418 21.876 ( 0.141 -0.428 -2.126) 2.173 21.876 ( 0.141 0.428 -2.126) 2.173 25.179 ( -0.012 -0.019 1.035) 1.036 25.179 ( -0.012 0.019 1.035) 1.036 25.256 ( -0.087 -0.208 -0.618) 0.658 25.256 ( -0.087 0.208 -0.618) 0.658 39.052 ( 0.878 -1.242 -2.704) 3.102 39.052 ( 0.878 1.242 -2.704) 3.102 41.593 ( -0.038 -0.089 -1.130) 1.134 41.593 ( -0.038 0.089 -1.130) 1.134 47.664 ( -1.317 -0.648 -6.875) 7.030 47.664 ( -1.317 0.648 -6.875) 7.030 48.129 ( 3.041 -0.109 -16.679) 16.954 48.129 ( 3.041 0.109 -16.679) 16.954 ======================= Grid point 251 (90/120) ======================= q-point: (-0.50 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.000 -0.000 1.396) 1.396 1.622 ( 0.000 0.000 1.396) 1.396 2.053 ( 0.000 -0.000 3.489) 3.489 2.053 ( -0.000 0.000 3.489) 3.489 2.383 ( -0.000 -0.000 -4.281) 4.281 2.383 ( -0.000 0.000 -4.281) 4.281 2.424 ( 0.000 -0.000 1.017) 1.017 2.424 ( 0.000 0.000 1.017) 1.017 2.735 ( 0.000 0.000 4.943) 4.943 2.735 ( 0.000 0.000 4.943) 4.943 2.983 ( 0.000 -0.000 7.115) 7.115 2.983 ( -0.000 0.000 7.115) 7.115 3.324 ( 0.000 -0.000 -0.687) 0.687 3.324 ( 0.000 0.000 -0.687) 0.687 3.357 ( 0.000 -0.000 -4.690) 4.690 3.357 ( 0.000 0.000 -4.690) 4.690 3.594 ( -0.000 0.000 8.604) 8.604 3.594 ( -0.000 0.000 8.604) 8.604 3.955 ( 0.000 0.000 2.757) 2.757 3.955 ( 0.000 0.000 2.757) 2.757 4.231 ( -0.000 0.000 5.277) 5.277 4.231 ( 0.000 -0.000 5.277) 5.277 4.469 ( 0.000 -0.000 9.925) 9.925 4.469 ( 0.000 0.000 9.925) 9.925 5.244 ( 0.000 0.000 13.168) 13.168 5.244 ( -0.000 0.000 13.168) 13.168 9.579 ( 0.000 0.000 -0.887) 0.887 9.579 ( 0.000 0.000 -0.887) 0.887 13.204 ( 0.000 0.000 -1.159) 1.159 13.204 ( 0.000 0.000 -1.159) 1.159 14.490 ( 0.000 0.000 2.793) 2.793 14.490 ( 0.000 0.000 2.793) 2.793 16.245 ( 0.000 0.000 -0.537) 0.537 16.245 ( 0.000 0.000 -0.537) 0.537 21.877 ( 0.000 0.000 -2.106) 2.106 21.877 ( 0.000 0.000 -2.106) 2.106 25.179 ( 0.000 0.000 1.037) 1.037 25.179 ( 0.000 0.000 1.037) 1.037 25.255 ( 0.000 0.000 -0.639) 0.639 25.255 ( 0.000 0.000 -0.639) 0.639 39.061 ( 0.000 0.000 -2.561) 2.561 39.061 ( 0.000 0.000 -2.561) 2.561 41.592 ( 0.000 0.000 -1.159) 1.159 41.592 ( 0.000 0.000 -1.159) 1.159 47.650 ( 0.000 0.000 -7.100) 7.100 47.650 ( 0.000 0.000 -7.100) 7.100 48.160 ( 0.000 0.000 -17.751) 17.751 48.160 ( 0.000 0.000 -17.751) 17.751 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.000 0.000 4.862) 4.862 1.662 ( 0.000 0.000 7.115) 7.115 1.828 ( 0.000 0.000 -0.240) 0.240 2.151 ( 0.000 0.000 -3.096) 3.096 2.220 ( 0.000 0.000 6.444) 6.444 2.320 ( 0.000 0.000 9.012) 9.012 2.499 ( 0.000 0.000 -1.394) 1.394 2.503 ( 0.000 0.000 1.497) 1.497 2.762 ( 0.000 0.000 -4.691) 4.691 2.782 ( 0.000 0.000 -4.317) 4.317 2.971 ( 0.000 0.000 -4.449) 4.449 3.035 ( 0.000 0.000 1.795) 1.795 3.168 ( 0.000 0.000 -3.312) 3.312 3.427 ( 0.000 0.000 -0.900) 0.900 3.504 ( 0.000 0.000 0.202) 0.202 3.616 ( 0.000 0.000 14.044) 14.044 3.643 ( 0.000 0.000 2.095) 2.095 3.709 ( 0.000 0.000 2.330) 2.330 4.037 ( 0.000 0.000 3.151) 3.151 4.078 ( 0.000 0.000 5.337) 5.337 4.078 ( 0.000 0.000 5.625) 5.625 4.233 ( 0.000 0.000 4.166) 4.166 4.592 ( 0.000 0.000 4.981) 4.981 4.614 ( 0.000 0.000 5.604) 5.604 4.929 ( 0.000 0.000 -5.265) 5.265 5.351 ( 0.000 0.000 5.119) 5.119 9.513 ( 0.000 0.000 -0.670) 0.670 9.547 ( 0.000 0.000 -1.700) 1.700 13.185 ( 0.000 0.000 -0.438) 0.438 13.213 ( 0.000 0.000 0.070) 0.070 14.492 ( 0.000 0.000 1.208) 1.208 14.686 ( 0.000 0.000 0.162) 0.162 16.337 ( 0.000 0.000 -0.043) 0.043 16.358 ( 0.000 0.000 -0.467) 0.467 21.803 ( 0.000 0.000 -0.893) 0.893 21.860 ( 0.000 0.000 -1.400) 1.400 25.193 ( 0.000 0.000 0.538) 0.538 25.197 ( 0.000 0.000 0.562) 0.562 25.247 ( 0.000 0.000 -0.236) 0.236 25.264 ( 0.000 0.000 -0.341) 0.341 38.870 ( 0.000 0.000 -1.047) 1.047 39.007 ( 0.000 0.000 -1.937) 1.937 41.577 ( 0.000 0.000 -0.675) 0.675 41.589 ( 0.000 0.000 -0.615) 0.615 47.601 ( 0.000 0.000 -5.794) 5.794 47.724 ( 0.000 0.000 -2.013) 2.013 47.730 ( 0.000 0.000 -3.048) 3.048 47.820 ( 0.000 0.000 -4.537) 4.537 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -1.123 0.000 2.686) 2.912 1.664 ( 0.164 0.000 5.677) 5.679 1.863 ( 3.284 0.000 1.879) 3.784 2.167 ( 1.723 0.000 -2.049) 2.677 2.248 ( 2.281 0.000 3.901) 4.519 2.310 ( -1.469 0.000 6.614) 6.775 2.481 ( -1.717 0.000 1.931) 2.583 2.500 ( 0.157 0.000 -0.773) 0.788 2.772 ( 0.464 0.000 -3.467) 3.498 2.804 ( 1.432 0.000 -2.514) 2.893 2.977 ( 0.868 0.000 -5.138) 5.211 3.030 ( -0.155 0.000 2.106) 2.111 3.214 ( 4.073 0.000 -3.990) 5.702 3.410 ( -2.009 0.000 -0.278) 2.028 3.558 ( 5.276 0.000 0.807) 5.337 3.612 ( -2.960 0.000 1.786) 3.457 3.620 ( 1.256 0.000 11.797) 11.864 3.685 ( -2.345 0.000 2.388) 3.347 3.903 ( -6.801 0.000 4.152) 7.968 4.005 ( -6.311 0.000 3.856) 7.395 4.194 ( 5.293 0.000 4.854) 7.182 4.251 ( 1.267 0.000 4.662) 4.831 4.522 ( -1.689 0.000 5.041) 5.316 4.787 ( 11.449 0.000 5.772) 12.822 4.946 ( 0.935 0.000 -2.832) 2.983 5.353 ( 0.485 0.000 5.120) 5.143 9.519 ( 0.535 0.000 -0.576) 0.786 9.550 ( 0.237 0.000 -1.561) 1.579 13.185 ( -0.040 0.000 -0.480) 0.481 13.210 ( -0.242 0.000 -0.030) 0.244 14.493 ( 0.052 0.000 1.237) 1.239 14.668 ( -1.697 0.000 0.390) 1.741 16.319 ( -1.684 0.000 -0.061) 1.686 16.343 ( -1.488 0.000 -0.440) 1.552 21.808 ( 0.470 0.000 -0.921) 1.034 21.859 ( -0.060 0.000 -1.382) 1.383 25.194 ( 0.011 0.000 0.540) 0.540 25.197 ( -0.017 0.000 0.562) 0.562 25.244 ( -0.218 0.000 -0.238) 0.323 25.262 ( -0.180 0.000 -0.336) 0.381 38.887 ( 1.591 0.000 -1.059) 1.911 39.016 ( 0.783 0.000 -1.909) 2.064 41.577 ( 0.045 0.000 -0.684) 0.685 41.585 ( -0.312 0.000 -0.592) 0.669 47.592 ( -0.954 0.000 -4.985) 5.075 47.705 ( -2.381 0.000 -3.017) 3.844 47.746 ( 2.199 0.000 -3.825) 4.412 47.834 ( 1.178 0.000 -5.297) 5.426 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -0.393 0.000 0.950) 1.028 1.666 ( 0.016 0.000 3.144) 3.144 1.941 ( 4.128 0.000 2.814) 4.996 2.211 ( 0.970 0.000 -2.903) 3.061 2.260 ( -1.757 0.000 4.485) 4.817 2.291 ( 1.887 0.000 -0.223) 1.901 2.452 ( -1.125 0.000 1.701) 2.040 2.502 ( -0.185 0.000 0.191) 0.266 2.770 ( -0.126 0.000 -1.264) 1.270 2.821 ( 0.514 0.000 0.126) 0.529 2.979 ( -1.280 0.000 -1.508) 1.978 3.068 ( 4.472 0.000 -0.358) 4.486 3.252 ( -2.912 0.000 -0.802) 3.021 3.359 ( -1.514 0.000 -1.007) 1.818 3.536 ( -4.337 0.000 1.534) 4.600 3.598 ( -4.923 0.000 3.389) 5.977 3.698 ( 8.067 0.000 1.278) 8.168 3.725 ( 7.195 0.000 4.542) 8.509 3.799 ( -3.517 0.000 4.017) 5.339 3.872 ( -5.903 0.000 2.988) 6.616 4.267 ( 2.224 0.000 4.966) 5.441 4.275 ( 1.123 0.000 4.831) 4.959 4.529 ( 2.226 0.000 4.871) 5.355 4.929 ( -3.030 0.000 1.101) 3.224 5.031 ( 12.356 0.000 6.480) 13.952 5.380 ( 2.152 0.000 5.460) 5.868 9.533 ( 0.825 0.000 -0.388) 0.912 9.556 ( 0.305 0.000 -1.202) 1.240 13.184 ( -0.007 0.000 -0.578) 0.578 13.204 ( -0.392 0.000 -0.275) 0.479 14.496 ( 0.335 0.000 1.305) 1.347 14.625 ( -2.533 0.000 0.858) 2.674 16.279 ( -2.099 0.000 -0.144) 2.103 16.305 ( -2.187 0.000 -0.404) 2.224 21.821 ( 0.721 0.000 -0.992) 1.226 21.857 ( -0.129 0.000 -1.331) 1.337 25.194 ( 0.018 0.000 0.542) 0.543 25.196 ( -0.031 0.000 0.560) 0.560 25.240 ( -0.175 0.000 -0.260) 0.314 25.257 ( -0.319 0.000 -0.332) 0.460 38.929 ( 2.504 0.000 -1.085) 2.729 39.032 ( 0.708 0.000 -1.774) 1.910 41.578 ( 0.006 0.000 -0.701) 0.701 41.579 ( -0.313 0.000 -0.571) 0.651 47.566 ( -1.519 0.000 -4.132) 4.402 47.646 ( -3.344 0.000 -3.230) 4.649 47.802 ( 3.167 0.000 -6.859) 7.555 47.861 ( 1.418 0.000 -6.885) 7.029 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 1.052 0.000 0.682) 1.254 1.663 ( -0.425 0.000 1.678) 1.731 2.013 ( 3.006 0.000 1.398) 3.315 2.143 ( -4.524 0.000 -2.171) 5.018 2.312 ( 3.869 0.000 2.962) 4.872 2.325 ( 1.711 0.000 -1.622) 2.358 2.430 ( -1.110 0.000 -1.475) 1.845 2.482 ( -1.917 0.000 0.047) 1.917 2.799 ( 3.690 0.000 0.442) 3.717 2.839 ( 1.515 0.000 1.323) 2.011 2.941 ( -2.335 0.000 0.401) 2.369 3.114 ( -9.124 0.000 0.375) 9.131 3.179 ( 6.187 0.000 0.325) 6.195 3.350 ( -0.454 0.000 -1.252) 1.332 3.455 ( -3.450 0.000 0.940) 3.576 3.484 ( -5.982 0.000 3.115) 6.744 3.741 ( -1.564 0.000 4.404) 4.674 3.751 ( -2.755 0.000 4.190) 5.015 3.864 ( 6.869 0.000 0.746) 6.910 3.900 ( 5.649 0.000 0.935) 5.726 4.293 ( 0.639 0.000 4.774) 4.817 4.293 ( 0.640 0.000 4.949) 4.990 4.602 ( 4.836 0.000 4.772) 6.794 4.835 ( -5.938 0.000 3.393) 6.839 5.249 ( 9.199 0.000 6.971) 11.542 5.414 ( 0.555 0.000 6.363) 6.387 9.549 ( 0.705 0.000 -0.296) 0.765 9.560 ( 0.115 0.000 -0.768) 0.777 13.185 ( 0.115 0.000 -0.667) 0.677 13.196 ( -0.395 0.000 -0.529) 0.660 14.508 ( 0.922 0.000 1.366) 1.648 14.575 ( -2.390 0.000 1.221) 2.684 16.246 ( -1.100 0.000 -0.281) 1.136 16.264 ( -1.791 0.000 -0.401) 1.835 21.835 ( 0.687 0.000 -1.081) 1.281 21.854 ( -0.259 0.000 -1.257) 1.284 25.194 ( 0.025 0.000 0.546) 0.547 25.196 ( -0.037 0.000 0.556) 0.557 25.239 ( 0.077 0.000 -0.303) 0.312 25.250 ( -0.380 0.000 -0.338) 0.509 38.979 ( 2.437 0.000 -1.139) 2.691 39.038 ( -0.261 0.000 -1.523) 1.545 41.575 ( -0.082 0.000 -0.602) 0.608 41.577 ( -0.089 0.000 -0.700) 0.705 47.541 ( -0.720 0.000 -3.942) 4.007 47.583 ( -2.763 0.000 -3.602) 4.540 47.858 ( 2.266 0.000 -8.829) 9.115 47.884 ( 0.793 0.000 -8.454) 8.491 ======================= Grid point 274 (95/120) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -1.296 0.000 1.051) 1.669 1.646 ( 1.296 0.000 1.051) 1.669 2.068 ( -3.008 0.000 -0.871) 3.132 2.068 ( 3.008 0.000 -0.871) 3.132 2.354 ( -0.510 0.000 0.977) 1.102 2.354 ( 0.510 0.000 0.977) 1.102 2.434 ( -2.203 0.000 -1.907) 2.914 2.434 ( 2.203 0.000 -1.907) 2.914 2.875 ( -0.924 0.000 1.308) 1.601 2.875 ( 0.924 0.000 1.308) 1.601 2.939 ( -6.774 0.000 0.362) 6.783 2.939 ( 6.774 0.000 0.362) 6.783 3.300 ( -5.361 0.000 0.637) 5.399 3.300 ( 5.361 0.000 0.637) 5.399 3.414 ( -0.077 0.000 1.320) 1.322 3.414 ( 0.078 0.000 1.320) 1.322 3.724 ( -0.040 0.000 4.365) 4.365 3.724 ( 0.040 0.000 4.365) 4.365 3.949 ( -1.131 0.000 0.557) 1.261 3.949 ( 1.131 0.000 0.557) 1.261 4.299 ( -0.010 0.000 4.832) 4.832 4.299 ( 0.010 0.000 4.832) 4.832 4.712 ( -6.155 0.000 4.421) 7.578 4.712 ( 6.155 0.000 4.421) 7.578 5.382 ( -4.097 0.000 6.960) 8.076 5.382 ( 4.097 0.000 6.960) 8.076 9.559 ( -0.292 0.000 -0.427) 0.517 9.559 ( 0.292 0.000 -0.427) 0.517 13.189 ( -0.276 0.000 -0.668) 0.723 13.189 ( 0.276 0.000 -0.668) 0.723 14.534 ( -1.700 0.000 1.367) 2.181 14.534 ( 1.700 0.000 1.367) 2.181 16.240 ( -0.501 0.000 -0.380) 0.629 16.240 ( 0.501 0.000 -0.380) 0.629 21.847 ( -0.475 0.000 -1.172) 1.265 21.847 ( 0.475 0.000 -1.172) 1.265 25.195 ( -0.033 0.000 0.551) 0.552 25.195 ( 0.033 0.000 0.551) 0.552 25.243 ( -0.306 0.000 -0.334) 0.453 25.243 ( 0.306 0.000 -0.334) 0.453 39.020 ( -1.533 0.000 -1.279) 1.997 39.020 ( 1.533 0.000 -1.279) 1.997 41.575 ( -0.096 0.000 -0.662) 0.669 41.575 ( 0.096 0.000 -0.662) 0.669 47.544 ( -1.060 0.000 -3.862) 4.005 47.544 ( 1.060 0.000 -3.862) 4.005 47.887 ( -0.597 0.000 -9.288) 9.307 47.887 ( 0.597 0.000 -9.288) 9.307 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.000 -0.115 4.006) 4.008 1.646 ( 0.000 -0.769 4.690) 4.752 1.896 ( 0.000 5.235 2.687) 5.884 2.129 ( 0.000 -2.933 4.759) 5.590 2.214 ( 0.000 0.686 -0.578) 0.897 2.306 ( 0.000 -1.476 5.975) 6.154 2.486 ( 0.000 -0.698 1.734) 1.869 2.497 ( 0.000 -0.518 3.216) 3.258 2.780 ( 0.000 1.398 -5.201) 5.386 2.798 ( 0.000 1.025 -5.054) 5.157 2.991 ( 0.000 1.578 -4.435) 4.707 3.044 ( 0.000 0.356 0.926) 0.992 3.172 ( 0.000 1.030 -3.022) 3.193 3.349 ( 0.000 -4.787 -1.172) 4.929 3.547 ( 0.000 0.274 2.976) 2.989 3.571 ( 0.000 -3.154 2.212) 3.853 3.647 ( 0.000 3.990 9.527) 10.329 3.761 ( 0.000 1.491 3.321) 3.640 4.048 ( 0.000 0.588 4.127) 4.168 4.070 ( 0.000 -0.544 5.466) 5.493 4.115 ( 0.000 3.580 3.521) 5.021 4.262 ( 0.000 1.745 3.730) 4.118 4.478 ( 0.000 -6.679 3.105) 7.366 4.557 ( 0.000 -4.695 5.577) 7.290 5.053 ( 0.000 8.222 -1.228) 8.313 5.321 ( 0.000 -2.832 4.419) 5.249 9.521 ( 0.000 0.627 -0.825) 1.036 9.545 ( 0.000 -0.234 -1.556) 1.574 13.187 ( 0.000 0.218 -0.325) 0.391 13.207 ( 0.000 -0.474 0.039) 0.476 14.519 ( 0.000 2.302 1.130) 2.564 14.656 ( 0.000 -2.588 0.401) 2.619 16.337 ( 0.000 0.027 -0.065) 0.070 16.352 ( 0.000 -0.493 -0.373) 0.618 21.813 ( 0.000 0.778 -0.994) 1.262 21.853 ( 0.000 -0.647 -1.348) 1.495 25.194 ( 0.000 0.059 0.539) 0.542 25.197 ( 0.000 -0.028 0.556) 0.556 25.249 ( 0.000 0.194 -0.253) 0.319 25.261 ( 0.000 -0.236 -0.327) 0.404 38.893 ( 0.000 1.891 -1.262) 2.274 38.989 ( 0.000 -1.556 -1.882) 2.442 41.578 ( 0.000 0.085 -0.644) 0.650 41.586 ( 0.000 -0.221 -0.600) 0.639 47.610 ( 0.000 0.828 -5.309) 5.373 47.678 ( 0.000 -2.102 -2.990) 3.655 47.773 ( 0.000 1.837 -2.931) 3.459 47.818 ( 0.000 -0.274 -4.330) 4.339 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -0.681 0.172 2.430) 2.530 1.654 ( 0.462 -0.679 5.074) 5.140 1.915 ( 1.831 4.306 2.130) 5.142 2.145 ( 1.351 -3.543 3.633) 5.252 2.227 ( 0.894 0.530 -1.403) 1.746 2.308 ( 0.399 -0.765 6.010) 6.072 2.482 ( -0.372 -0.005 3.496) 3.516 2.496 ( -0.294 -0.266 0.723) 0.824 2.793 ( 0.913 1.703 -3.766) 4.233 2.821 ( 1.671 1.055 -3.330) 3.872 2.983 ( -0.307 0.458 -4.866) 4.897 3.029 ( -1.315 -0.422 1.001) 1.706 3.204 ( 2.707 0.130 -3.175) 4.174 3.371 ( 1.513 -4.020 -1.306) 4.489 3.531 ( -2.735 -1.077 2.763) 4.035 3.569 ( 0.985 -1.277 3.602) 3.947 3.668 ( 2.506 3.567 6.597) 7.907 3.745 ( -0.980 2.249 3.588) 4.346 3.923 ( -6.851 1.600 3.728) 7.962 3.993 ( -6.504 -1.067 3.838) 7.626 4.218 ( 5.014 2.217 4.340) 6.992 4.282 ( 1.310 2.282 4.525) 5.235 4.470 ( 0.358 -3.433 4.509) 5.679 4.643 ( 6.382 -8.408 4.215) 11.366 5.092 ( 3.676 8.289 0.781) 9.101 5.332 ( 1.290 -2.092 4.619) 5.233 9.526 ( 0.499 0.594 -0.727) 1.063 9.548 ( 0.287 -0.191 -1.426) 1.468 13.187 ( -0.064 0.197 -0.379) 0.432 13.205 ( -0.207 -0.445 -0.058) 0.494 14.517 ( -0.191 2.086 1.174) 2.401 14.641 ( -1.425 -2.350 0.584) 2.810 16.320 ( -1.641 0.070 -0.076) 1.644 16.336 ( -1.497 -0.510 -0.355) 1.621 21.816 ( 0.363 0.687 -1.006) 1.272 21.852 ( -0.009 -0.599 -1.329) 1.458 25.194 ( 0.005 0.054 0.540) 0.543 25.197 ( -0.014 -0.025 0.556) 0.556 25.247 ( -0.196 0.215 -0.259) 0.389 25.259 ( -0.168 -0.231 -0.328) 0.435 38.908 ( 1.453 1.779 -1.255) 2.617 38.999 ( 0.883 -1.473 -1.849) 2.524 41.578 ( -0.000 0.040 -0.653) 0.654 41.583 ( -0.252 -0.165 -0.586) 0.659 47.601 ( -0.979 0.807 -4.665) 4.835 47.669 ( -1.206 -2.088 -3.292) 4.081 47.780 ( 1.053 1.897 -4.124) 4.660 47.830 ( 1.114 -0.374 -5.174) 5.306 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -0.178 0.806 1.431) 1.652 1.661 ( 0.181 -0.512 3.405) 3.448 1.964 ( 2.890 2.247 1.235) 3.864 2.165 ( 0.056 -5.601 0.901) 5.673 2.241 ( 0.920 2.458 -0.582) 2.689 2.326 ( 1.273 0.400 3.908) 4.130 2.461 ( -1.532 0.703 1.283) 2.119 2.493 ( -0.138 -0.689 0.783) 1.052 2.795 ( -0.920 2.344 -1.154) 2.770 2.849 ( 1.670 1.996 -0.802) 2.723 2.966 ( -2.454 -1.149 -2.568) 3.734 3.037 ( 3.162 -2.489 0.350) 4.039 3.244 ( 0.702 -0.395 -2.304) 2.441 3.373 ( -1.724 -0.329 -1.701) 2.444 3.454 ( -4.316 -2.698 4.508) 6.799 3.564 ( -3.052 -2.629 0.464) 4.055 3.758 ( 5.776 2.959 4.173) 7.715 3.769 ( 2.099 2.184 4.127) 5.120 3.825 ( -1.162 2.281 2.618) 3.662 3.866 ( -4.706 -0.416 3.007) 5.600 4.284 ( 1.859 1.433 4.754) 5.302 4.301 ( 0.610 1.980 4.618) 5.062 4.505 ( 3.094 -1.145 4.884) 5.894 4.741 ( 2.484 -10.102 3.735) 11.053 5.191 ( 6.284 7.776 4.485) 10.958 5.376 ( 2.853 -0.805 5.343) 6.110 9.539 ( 0.759 0.501 -0.522) 1.048 9.555 ( 0.390 -0.074 -1.100) 1.169 13.185 ( -0.059 0.130 -0.507) 0.527 13.199 ( -0.331 -0.363 -0.292) 0.571 14.513 ( -0.070 1.516 1.272) 1.980 14.604 ( -2.096 -1.734 0.961) 2.885 16.280 ( -2.083 0.127 -0.144) 2.092 16.299 ( -2.147 -0.501 -0.340) 2.230 21.826 ( 0.559 0.461 -1.042) 1.269 21.852 ( -0.040 -0.469 -1.281) 1.364 25.194 ( 0.008 0.041 0.544) 0.546 25.196 ( -0.026 -0.019 0.556) 0.556 25.243 ( -0.175 0.235 -0.285) 0.409 25.255 ( -0.277 -0.194 -0.337) 0.477 38.946 ( 2.219 1.425 -1.233) 2.911 39.019 ( 0.951 -1.180 -1.716) 2.289 41.577 ( -0.043 -0.043 -0.668) 0.671 41.578 ( -0.249 -0.059 -0.583) 0.636 47.573 ( -1.629 0.698 -3.985) 4.361 47.627 ( -2.700 -1.385 -3.370) 4.535 47.818 ( 2.496 1.185 -6.887) 7.421 47.857 ( 1.484 -0.357 -6.923) 7.090 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.646 0.637 0.865) 1.253 1.659 ( -0.422 -0.407 1.747) 1.843 2.024 ( 3.074 1.320 0.503) 3.383 2.140 ( -2.276 -1.452 0.133) 2.703 2.274 ( 2.343 -0.188 -1.703) 2.903 2.347 ( 0.306 -0.611 1.805) 1.929 2.436 ( -0.559 0.938 -0.612) 1.252 2.481 ( -1.221 -0.386 0.811) 1.516 2.780 ( 0.188 0.090 0.610) 0.645 2.874 ( -1.742 -1.728 0.207) 2.462 2.933 ( 2.071 3.150 -0.105) 3.771 3.095 ( 0.451 -1.351 2.524) 2.898 3.235 ( -0.092 2.890 -2.700) 3.956 3.331 ( -1.374 -0.777 -1.145) 1.950 3.379 ( -3.001 -3.875 2.948) 5.720 3.470 ( -5.545 -2.462 0.503) 6.087 3.742 ( -1.769 0.090 4.429) 4.770 3.750 ( -2.719 -0.141 4.251) 5.049 3.910 ( 5.655 2.987 1.450) 6.558 3.928 ( 5.356 1.842 1.506) 5.861 4.305 ( 0.495 0.976 4.581) 4.710 4.309 ( 0.227 1.194 4.371) 4.537 4.581 ( 4.265 -1.061 4.995) 6.653 4.736 ( -2.459 -6.975 4.157) 8.484 5.323 ( 6.218 4.835 6.457) 10.185 5.424 ( 1.368 0.385 6.350) 6.507 9.554 ( 0.627 0.373 -0.389) 0.826 9.562 ( 0.209 0.080 -0.724) 0.758 13.185 ( 0.042 0.021 -0.626) 0.628 13.192 ( -0.320 -0.246 -0.528) 0.665 14.516 ( 0.445 0.751 1.357) 1.613 14.564 ( -1.896 -0.934 1.256) 2.459 16.246 ( -1.176 0.069 -0.266) 1.208 16.259 ( -1.673 -0.369 -0.359) 1.751 21.837 ( 0.524 0.188 -1.093) 1.227 21.850 ( -0.144 -0.285 -1.218) 1.260 25.195 ( 0.014 0.025 0.548) 0.549 25.196 ( -0.030 -0.007 0.555) 0.556 25.241 ( 0.023 0.185 -0.329) 0.378 25.249 ( -0.300 -0.093 -0.355) 0.474 38.989 ( 2.030 0.833 -1.222) 2.512 39.030 ( 0.123 -0.636 -1.492) 1.627 41.574 ( -0.079 -0.011 -0.613) 0.618 41.576 ( -0.084 -0.074 -0.682) 0.691 47.546 ( -0.947 0.393 -3.858) 3.992 47.575 ( -2.354 -0.665 -3.613) 4.363 47.865 ( 1.920 0.495 -8.819) 9.039 47.883 ( 0.917 -0.163 -8.548) 8.599 ======================= Grid point 283 (100/120) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -0.974 -0.078 0.921) 1.343 1.644 ( 0.974 -0.078 0.921) 1.343 2.085 ( -3.087 1.202 0.115) 3.315 2.085 ( 3.087 1.202 0.115) 3.315 2.324 ( -2.300 -1.813 -1.474) 3.279 2.324 ( 2.300 -1.813 -1.474) 3.279 2.450 ( -1.607 0.727 0.500) 1.833 2.450 ( 1.607 0.727 0.500) 1.833 2.813 ( -2.914 -2.671 0.917) 4.057 2.813 ( 2.914 -2.671 0.917) 4.057 3.024 ( -5.568 4.623 1.269) 7.347 3.024 ( 5.568 4.623 1.269) 7.347 3.287 ( -3.650 -0.901 -0.182) 3.764 3.287 ( 3.650 -0.901 -0.182) 3.764 3.376 ( -3.047 -2.896 0.470) 4.230 3.376 ( 3.047 -2.896 0.470) 4.230 3.724 ( -0.080 -0.059 4.364) 4.366 3.724 ( 0.080 -0.059 4.364) 4.366 3.978 ( -0.621 1.919 1.368) 2.437 3.978 ( 0.621 1.919 1.368) 2.437 4.310 ( -0.083 0.892 4.263) 4.356 4.310 ( 0.083 0.892 4.263) 4.356 4.666 ( -4.165 -3.234 4.794) 7.126 4.666 ( 4.165 -3.234 4.794) 7.126 5.413 ( -2.614 2.117 6.843) 7.625 5.413 ( 2.614 2.117 6.843) 7.625 9.562 ( -0.207 0.232 -0.454) 0.550 9.562 ( 0.207 0.232 -0.454) 0.550 13.187 ( -0.196 -0.113 -0.649) 0.688 13.187 ( 0.196 -0.113 -0.649) 0.688 14.533 ( -1.202 -0.086 1.372) 1.826 14.533 ( 1.202 -0.086 1.372) 1.826 16.238 ( -0.360 -0.134 -0.354) 0.523 16.238 ( 0.360 -0.134 -0.354) 0.523 21.846 ( -0.337 -0.066 -1.154) 1.204 21.846 ( 0.337 -0.066 -1.154) 1.204 25.195 ( -0.024 0.008 0.552) 0.552 25.195 ( 0.024 0.008 0.552) 0.552 25.244 ( -0.217 0.056 -0.358) 0.422 25.244 ( 0.217 0.056 -0.358) 0.422 39.021 ( -1.084 0.091 -1.299) 1.694 39.021 ( 1.084 0.091 -1.299) 1.694 41.574 ( -0.068 -0.040 -0.660) 0.665 41.574 ( 0.068 -0.040 -0.660) 0.665 47.543 ( -0.745 -0.078 -3.817) 3.889 47.543 ( 0.745 -0.078 -3.817) 3.889 47.888 ( -0.418 0.093 -9.330) 9.340 47.888 ( 0.418 0.093 -9.330) 9.340 ======================= Grid point 288 (101/120) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 0.000 -0.070 3.244) 3.244 1.639 ( 0.000 0.070 3.244) 3.244 2.025 ( 0.000 -5.843 5.790) 8.226 2.025 ( 0.000 5.843 5.790) 8.226 2.257 ( 0.000 -2.602 0.439) 2.639 2.257 ( 0.000 2.602 0.439) 2.639 2.484 ( 0.000 -0.467 4.821) 4.843 2.484 ( 0.000 0.467 4.821) 4.843 2.806 ( 0.000 -0.528 -5.647) 5.672 2.806 ( 0.000 0.528 -5.647) 5.672 3.028 ( 0.000 -1.588 -2.594) 3.042 3.028 ( 0.000 1.589 -2.594) 3.042 3.239 ( 0.000 -4.709 -1.711) 5.010 3.239 ( 0.000 4.709 -1.711) 5.010 3.538 ( 0.000 -0.003 3.854) 3.854 3.538 ( 0.000 0.003 3.854) 3.854 3.742 ( 0.000 -3.209 4.772) 5.751 3.742 ( 0.000 3.209 4.772) 5.751 4.059 ( 0.000 -0.479 5.069) 5.091 4.059 ( 0.000 0.479 5.069) 5.091 4.222 ( 0.000 -5.280 1.797) 5.577 4.222 ( 0.000 5.280 1.797) 5.577 4.446 ( 0.000 -4.007 5.256) 6.609 4.446 ( 0.000 4.007 5.256) 6.609 5.220 ( 0.000 -6.357 2.346) 6.776 5.220 ( 0.000 6.357 2.346) 6.776 9.536 ( 0.000 -0.611 -1.197) 1.344 9.536 ( 0.000 0.611 -1.197) 1.344 13.195 ( 0.000 -0.493 -0.102) 0.504 13.195 ( 0.000 0.493 -0.102) 0.504 14.585 ( 0.000 -3.449 0.845) 3.551 14.585 ( 0.000 3.449 0.845) 3.551 16.341 ( 0.000 -0.384 -0.184) 0.425 16.341 ( 0.000 0.384 -0.184) 0.425 21.834 ( 0.000 -1.002 -1.195) 1.559 21.834 ( 0.000 1.002 -1.195) 1.559 25.196 ( 0.000 -0.061 0.544) 0.548 25.196 ( 0.000 0.061 0.544) 0.548 25.255 ( 0.000 -0.304 -0.292) 0.421 25.255 ( 0.000 0.304 -0.292) 0.421 38.943 ( 0.000 -2.430 -1.651) 2.937 38.943 ( 0.000 2.430 -1.651) 2.937 41.581 ( 0.000 -0.215 -0.599) 0.637 41.581 ( 0.000 0.215 -0.599) 0.637 47.637 ( 0.000 -1.575 -4.153) 4.442 47.637 ( 0.000 1.575 -4.153) 4.442 47.805 ( 0.000 -0.989 -3.711) 3.841 47.805 ( 0.000 0.989 -3.711) 3.841 ======================= Grid point 290 (102/120) ======================= q-point: ( 0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.103 -0.554 3.314) 3.362 1.640 ( 0.103 0.554 3.314) 3.362 2.031 ( 0.474 -5.775 3.153) 6.597 2.031 ( 0.474 5.775 3.153) 6.597 2.270 ( 1.333 -2.429 2.037) 3.439 2.270 ( 1.333 2.429 2.037) 3.439 2.487 ( 0.010 -0.462 3.608) 3.637 2.487 ( 0.010 0.462 3.608) 3.637 2.827 ( 1.975 -0.830 -4.041) 4.574 2.827 ( 1.975 0.830 -4.041) 4.574 3.002 ( -2.306 -1.467 -2.712) 3.850 3.002 ( -2.306 1.467 -2.712) 3.850 3.261 ( 1.768 -4.756 -1.569) 5.311 3.261 ( 1.768 4.756 -1.569) 5.311 3.539 ( -0.403 -1.227 3.004) 3.270 3.539 ( -0.403 1.227 3.004) 3.270 3.745 ( 0.990 -2.308 4.598) 5.239 3.745 ( 0.990 2.308 4.598) 5.239 3.961 ( -6.805 -1.719 3.677) 7.923 3.961 ( -6.805 1.719 3.677) 7.923 4.282 ( 3.166 -2.848 3.730) 5.661 4.282 ( 3.166 2.848 3.730) 5.661 4.479 ( 3.167 -5.345 4.838) 7.874 4.479 ( 3.167 5.345 4.838) 7.874 5.249 ( 2.841 -5.593 3.135) 7.013 5.249 ( 2.841 5.593 3.135) 7.013 9.540 ( 0.400 -0.558 -1.086) 1.284 9.540 ( 0.400 0.558 -1.086) 1.284 13.194 ( -0.131 -0.458 -0.182) 0.510 13.194 ( -0.131 0.458 -0.182) 0.510 14.577 ( -0.794 -3.130 0.944) 3.364 14.577 ( -0.794 3.130 0.944) 3.364 16.325 ( -1.551 -0.432 -0.181) 1.620 16.325 ( -1.551 0.432 -0.181) 1.620 21.835 ( 0.150 -0.906 -1.184) 1.498 21.835 ( 0.150 0.906 -1.184) 1.498 25.196 ( -0.006 -0.057 0.545) 0.548 25.196 ( -0.006 0.057 0.545) 0.548 25.253 ( -0.166 -0.315 -0.299) 0.465 25.253 ( -0.166 0.315 -0.299) 0.465 38.955 ( 1.149 -2.293 -1.620) 3.033 38.955 ( 1.149 2.293 -1.620) 3.033 41.580 ( -0.119 -0.145 -0.601) 0.629 41.580 ( -0.119 0.145 -0.601) 0.629 47.627 ( -1.037 -1.576 -3.931) 4.361 47.627 ( -1.037 1.576 -3.931) 4.361 47.814 ( 0.997 -1.126 -4.762) 4.994 47.814 ( 0.997 1.126 -4.762) 4.994 ======================= Grid point 292 (103/120) ======================= q-point: ( 0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.177 -1.006 2.661) 2.851 1.643 ( 0.177 1.006 2.661) 2.851 2.044 ( 1.064 -4.904 0.255) 5.024 2.044 ( 1.064 4.904 0.255) 5.024 2.300 ( 1.268 -2.408 2.946) 4.011 2.300 ( 1.268 2.408 2.946) 4.011 2.477 ( -0.837 -0.722 1.428) 1.806 2.477 ( -0.837 0.722 1.428) 1.806 2.857 ( -0.409 -2.244 -1.482) 2.720 2.857 ( -0.409 2.244 -1.482) 2.720 2.970 ( 0.662 -2.532 -1.754) 3.151 2.970 ( 0.662 2.532 -1.754) 3.151 3.287 ( 0.491 -4.282 -1.011) 4.427 3.287 ( 0.491 4.282 -1.011) 4.427 3.495 ( -4.121 -3.418 1.600) 5.588 3.495 ( -4.121 3.418 1.600) 5.588 3.793 ( 0.859 -0.236 4.371) 4.461 3.793 ( 0.859 0.236 4.371) 4.461 3.859 ( -0.238 -0.442 2.513) 2.563 3.859 ( -0.238 0.442 2.513) 2.563 4.318 ( 0.720 -1.017 4.483) 4.653 4.318 ( 0.720 1.017 4.483) 4.653 4.551 ( 3.481 -6.135 4.612) 8.428 4.551 ( 3.481 6.135 4.612) 8.428 5.325 ( 4.451 -4.143 4.882) 7.798 5.325 ( 4.451 4.143 4.882) 7.798 9.550 ( 0.584 -0.409 -0.827) 1.092 9.550 ( 0.584 0.409 -0.827) 1.092 13.190 ( -0.190 -0.353 -0.372) 0.547 13.190 ( -0.190 0.353 -0.372) 0.547 14.557 ( -1.067 -2.295 1.152) 2.781 14.557 ( -1.067 2.295 1.152) 2.781 16.287 ( -2.087 -0.468 -0.210) 2.149 16.287 ( -2.087 0.468 -0.210) 2.149 21.839 ( 0.223 -0.657 -1.161) 1.353 21.839 ( 0.223 0.657 -1.161) 1.353 25.195 ( -0.011 -0.043 0.549) 0.550 25.195 ( -0.011 0.043 0.549) 0.550 25.249 ( -0.205 -0.304 -0.326) 0.491 25.249 ( -0.205 0.304 -0.326) 0.491 38.984 ( 1.564 -1.839 -1.519) 2.852 38.984 ( 1.564 1.839 -1.519) 2.852 41.577 ( -0.138 -0.015 -0.615) 0.631 41.577 ( -0.138 0.015 -0.615) 0.631 47.596 ( -1.989 -1.315 -3.659) 4.367 47.596 ( -1.989 1.315 -3.659) 4.367 47.843 ( 1.779 -0.929 -6.954) 7.238 47.843 ( 1.779 0.929 -6.954) 7.238 ======================= Grid point 294 (104/120) ======================= q-point: ( 0.38 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -0.052 -0.852 1.377) 1.620 1.645 ( -0.052 0.852 1.377) 1.620 2.077 ( 1.992 -3.287 0.352) 3.859 2.077 ( 1.992 3.287 0.352) 3.859 2.309 ( -0.369 -2.308 -0.047) 2.338 2.309 ( -0.369 2.308 -0.047) 2.338 2.462 ( -0.553 -1.173 1.184) 1.756 2.462 ( -0.553 1.173 1.184) 1.756 2.813 ( -2.638 -2.555 -0.329) 3.687 2.813 ( -2.638 2.555 -0.329) 3.687 3.032 ( 4.200 -4.394 1.051) 6.168 3.032 ( 4.200 4.394 1.051) 6.168 3.283 ( -0.607 -2.661 -1.193) 2.979 3.283 ( -0.607 2.661 -1.193) 2.979 3.395 ( -5.241 -3.652 0.603) 6.416 3.395 ( -5.241 3.652 0.603) 6.416 3.746 ( -2.313 -0.233 4.386) 4.964 3.746 ( -2.313 0.233 4.386) 4.964 3.950 ( 4.980 -0.286 1.937) 5.351 3.950 ( 4.980 0.286 1.937) 5.351 4.324 ( 0.074 -0.270 4.025) 4.035 4.324 ( 0.074 0.270 4.025) 4.035 4.604 ( 1.760 -3.867 4.972) 6.540 4.604 ( 1.760 3.867 4.972) 6.540 5.407 ( 3.328 -2.306 6.288) 7.479 5.407 ( 3.328 2.306 6.288) 7.479 9.561 ( 0.425 -0.208 -0.580) 0.749 9.561 ( 0.425 0.208 -0.580) 0.749 13.187 ( -0.139 -0.192 -0.556) 0.604 13.187 ( -0.139 0.192 -0.556) 0.604 14.539 ( -0.717 -1.190 1.320) 1.916 14.539 ( -0.717 1.190 1.320) 1.916 16.251 ( -1.403 -0.326 -0.284) 1.469 16.251 ( -1.403 0.326 -0.284) 1.469 21.843 ( 0.166 -0.336 -1.142) 1.202 21.843 ( 0.166 0.336 -1.142) 1.202 25.195 ( -0.009 -0.023 0.552) 0.552 25.195 ( -0.009 0.023 0.552) 0.552 25.246 ( -0.125 -0.198 -0.363) 0.432 25.246 ( -0.125 0.198 -0.363) 0.432 39.011 ( 1.065 -1.038 -1.383) 2.031 39.011 ( 1.065 1.038 -1.383) 2.031 41.575 ( -0.077 -0.046 -0.643) 0.650 41.575 ( -0.077 0.046 -0.643) 0.650 47.558 ( -1.567 -0.722 -3.699) 4.081 47.558 ( -1.567 0.722 -3.699) 4.081 47.876 ( 1.315 -0.440 -8.725) 8.834 47.876 ( 1.315 0.440 -8.725) 8.834 ======================= Grid point 296 (105/120) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.000 0.000 0.776) 0.776 1.643 ( 0.000 0.000 0.776) 0.776 2.102 ( -0.000 -0.000 1.471) 1.471 2.102 ( 0.000 0.000 1.471) 1.471 2.301 ( 0.000 -0.000 -3.299) 3.299 2.301 ( -0.000 0.000 -3.299) 3.299 2.457 ( 0.000 -0.000 2.048) 2.048 2.457 ( 0.000 0.000 2.048) 2.048 2.783 ( 0.000 0.000 0.545) 0.545 2.783 ( 0.000 0.000 0.545) 0.545 3.087 ( -0.000 -0.000 3.001) 3.001 3.087 ( -0.000 0.000 3.001) 3.001 3.274 ( 0.000 0.000 -3.303) 3.303 3.274 ( 0.000 0.000 -3.303) 3.303 3.330 ( 0.000 -0.000 1.085) 1.085 3.330 ( 0.000 0.000 1.085) 1.085 3.723 ( 0.000 0.000 4.380) 4.380 3.723 ( -0.000 0.000 4.380) 4.380 4.003 ( 0.000 0.000 2.079) 2.079 4.003 ( 0.000 -0.000 2.079) 2.079 4.324 ( 0.000 0.000 3.521) 3.521 4.324 ( 0.000 -0.000 3.521) 3.521 4.621 ( 0.000 0.000 5.261) 5.261 4.621 ( 0.000 0.000 5.261) 5.261 5.442 ( 0.000 0.000 6.757) 6.757 5.442 ( 0.000 0.000 6.757) 6.757 9.565 ( 0.000 0.000 -0.482) 0.482 9.565 ( 0.000 0.000 -0.482) 0.482 13.186 ( 0.000 0.000 -0.630) 0.630 13.186 ( 0.000 0.000 -0.630) 0.630 14.531 ( 0.000 0.000 1.378) 1.378 14.531 ( 0.000 0.000 1.378) 1.378 16.236 ( 0.000 0.000 -0.328) 0.328 16.236 ( 0.000 0.000 -0.328) 0.328 21.845 ( 0.000 0.000 -1.135) 1.135 21.845 ( 0.000 0.000 -1.135) 1.135 25.195 ( 0.000 0.000 0.553) 0.553 25.195 ( 0.000 0.000 0.553) 0.553 25.244 ( 0.000 0.000 -0.381) 0.381 25.244 ( 0.000 0.000 -0.381) 0.381 39.022 ( 0.000 0.000 -1.318) 1.318 39.022 ( 0.000 0.000 -1.318) 1.318 41.574 ( 0.000 0.000 -0.659) 0.659 41.574 ( 0.000 0.000 -0.659) 0.659 47.542 ( 0.000 0.000 -3.772) 3.772 47.542 ( 0.000 0.000 -3.772) 3.772 47.890 ( 0.000 0.000 -9.372) 9.372 47.890 ( 0.000 0.000 -9.372) 9.372 ======================= Grid point 315 (106/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 0.000 0.000 0.000) 0.000 1.734 ( 0.000 0.000 0.000) 0.000 1.826 ( 0.000 0.000 0.000) 0.000 2.119 ( 0.000 0.000 0.000) 0.000 2.302 ( 0.000 0.000 -0.000) 0.000 2.445 ( 0.000 0.000 -0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 3.051 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 9.507 ( 0.000 0.000 0.000) 0.000 9.530 ( 0.000 0.000 0.000) 0.000 13.181 ( 0.000 0.000 0.000) 0.000 13.213 ( 0.000 0.000 0.000) 0.000 14.504 ( 0.000 0.000 0.000) 0.000 14.688 ( 0.000 0.000 0.000) 0.000 16.337 ( 0.000 0.000 0.000) 0.000 16.354 ( 0.000 0.000 0.000) 0.000 21.795 ( 0.000 0.000 0.000) 0.000 21.846 ( 0.000 0.000 0.000) 0.000 25.199 ( 0.000 0.000 0.000) 0.000 25.203 ( 0.000 0.000 0.000) 0.000 25.245 ( 0.000 0.000 0.000) 0.000 25.261 ( 0.000 0.000 0.000) 0.000 38.860 ( 0.000 0.000 0.000) 0.000 38.988 ( 0.000 0.000 0.000) 0.000 41.570 ( 0.000 0.000 0.000) 0.000 41.583 ( 0.000 0.000 0.000) 0.000 47.543 ( 0.000 0.000 0.000) 0.000 47.700 ( 0.000 0.000 0.000) 0.000 47.703 ( 0.000 0.000 0.000) 0.000 47.775 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 317 (107/120) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -2.338 0.000 0.000) 2.338 1.721 ( -1.178 0.000 0.000) 1.178 1.881 ( 4.360 0.000 0.000) 4.360 2.143 ( 2.197 0.000 0.000) 2.197 2.296 ( -0.438 0.000 -0.000) 0.438 2.393 ( -4.470 0.000 -0.000) 4.470 2.496 ( 0.905 0.000 0.000) 0.905 2.512 ( -0.932 0.000 -0.000) 0.932 2.705 ( 2.704 0.000 0.000) 2.704 2.764 ( 3.404 0.000 0.000) 3.404 2.927 ( 0.157 0.000 0.000) 0.157 3.051 ( 0.166 0.000 0.000) 0.166 3.172 ( 3.585 0.000 0.000) 3.585 3.403 ( -1.645 0.000 0.000) 1.645 3.564 ( 5.182 0.000 0.000) 5.182 3.636 ( -2.700 0.000 0.000) 2.700 3.712 ( -2.446 0.000 0.000) 2.446 3.753 ( -0.585 0.000 0.000) 0.585 3.943 ( -6.687 0.000 0.000) 6.687 4.038 ( -7.465 0.000 0.000) 7.465 4.243 ( 5.342 0.000 0.000) 5.342 4.297 ( 1.549 0.000 0.000) 1.549 4.573 ( -1.781 0.000 0.000) 1.781 4.844 ( 11.758 0.000 0.000) 11.758 4.914 ( 3.139 0.000 0.000) 3.139 5.404 ( 0.542 0.000 0.000) 0.542 9.513 ( 0.621 0.000 0.000) 0.621 9.534 ( 0.373 0.000 0.000) 0.373 13.180 ( -0.079 0.000 0.000) 0.079 13.210 ( -0.339 0.000 0.000) 0.339 14.505 ( 0.080 0.000 0.000) 0.080 14.672 ( -1.496 0.000 0.000) 1.496 16.319 ( -1.705 0.000 0.000) 1.705 16.338 ( -1.469 0.000 0.000) 1.469 21.799 ( 0.443 0.000 0.000) 0.443 21.845 ( -0.041 0.000 0.000) 0.041 25.199 ( 0.012 0.000 0.000) 0.012 25.202 ( -0.017 0.000 0.000) 0.017 25.242 ( -0.223 0.000 0.000) 0.223 25.259 ( -0.178 0.000 0.000) 0.178 38.876 ( 1.582 0.000 0.000) 1.582 38.997 ( 0.818 0.000 0.000) 0.818 41.570 ( 0.037 0.000 0.000) 0.037 41.580 ( -0.295 0.000 0.000) 0.295 47.540 ( -0.471 0.000 0.000) 0.471 47.675 ( -2.406 0.000 0.000) 2.406 47.710 ( 0.802 0.000 0.000) 0.802 47.781 ( 0.502 0.000 0.000) 0.502 ======================= Grid point 319 (108/120) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -0.784 0.000 0.000) 0.784 1.697 ( -1.034 0.000 0.000) 1.034 1.968 ( 3.991 0.000 0.000) 3.991 2.179 ( -0.155 0.000 0.000) 0.155 2.290 ( 0.068 0.000 0.000) 0.068 2.310 ( -2.130 0.000 -0.000) 2.130 2.478 ( -2.408 0.000 -0.000) 2.408 2.508 ( -0.063 0.000 -0.000) 0.063 2.748 ( 1.702 0.000 0.000) 1.702 2.816 ( 1.794 0.000 0.000) 1.794 2.946 ( 0.833 0.000 0.000) 0.833 3.078 ( 3.424 0.000 0.000) 3.424 3.229 ( -0.545 0.000 0.000) 0.545 3.349 ( -2.659 0.000 0.000) 2.659 3.551 ( -4.483 0.000 0.000) 4.483 3.636 ( -5.143 0.000 0.000) 5.143 3.715 ( 8.321 0.000 0.000) 8.321 3.793 ( 5.105 0.000 -0.000) 5.105 3.839 ( -3.847 0.000 0.000) 3.847 3.891 ( -6.539 0.000 0.000) 6.539 4.317 ( 2.241 0.000 0.000) 2.241 4.323 ( 1.136 0.000 0.000) 1.136 4.578 ( 2.172 0.000 0.000) 2.172 4.939 ( -1.347 0.000 0.000) 1.347 5.095 ( 12.695 0.000 0.000) 12.695 5.435 ( 2.514 0.000 -0.000) 2.514 9.529 ( 0.911 0.000 0.000) 0.911 9.544 ( 0.520 0.000 0.000) 0.520 13.178 ( -0.061 0.000 0.000) 0.061 13.201 ( -0.531 0.000 0.000) 0.531 14.509 ( 0.372 0.000 0.000) 0.372 14.633 ( -2.306 0.000 0.000) 2.306 16.278 ( -2.159 0.000 0.000) 2.159 16.301 ( -2.178 0.000 0.000) 2.178 21.811 ( 0.678 0.000 0.000) 0.678 21.844 ( -0.096 0.000 0.000) 0.096 25.199 ( 0.020 0.000 0.000) 0.020 25.202 ( -0.032 0.000 0.000) 0.032 25.237 ( -0.194 0.000 0.000) 0.194 25.254 ( -0.322 0.000 0.000) 0.322 38.918 ( 2.489 0.000 0.000) 2.489 39.015 ( 0.810 0.000 0.000) 0.810 41.571 ( -0.000 0.000 0.000) 0.000 41.573 ( -0.316 0.000 0.000) 0.316 47.522 ( -1.230 0.000 0.000) 1.230 47.613 ( -3.523 0.000 0.000) 3.523 47.737 ( 1.764 0.000 0.000) 1.764 47.792 ( 0.565 0.000 0.000) 0.565 ======================= Grid point 321 (109/120) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 1.109 0.000 0.000) 1.109 1.680 ( -0.856 0.000 0.000) 0.856 2.027 ( 1.925 0.000 0.000) 1.925 2.119 ( -4.035 0.000 0.000) 4.035 2.308 ( 1.830 0.000 0.000) 1.830 2.341 ( 3.636 0.000 -0.000) 3.636 2.422 ( -3.006 0.000 -0.000) 3.006 2.485 ( -2.295 0.000 -0.000) 2.295 2.801 ( 4.219 0.000 0.000) 4.219 2.849 ( 1.756 0.000 0.000) 1.756 2.936 ( -1.515 0.000 0.000) 1.515 3.112 ( -8.966 0.000 0.000) 8.966 3.185 ( 6.588 0.000 0.000) 6.588 3.335 ( -0.014 0.000 0.000) 0.014 3.466 ( -3.595 0.000 0.000) 3.595 3.519 ( -6.203 0.000 0.000) 6.203 3.785 ( -1.742 0.000 -0.000) 1.742 3.796 ( -2.983 0.000 -0.000) 2.983 3.874 ( 6.863 0.000 0.000) 6.863 3.913 ( 5.280 0.000 0.000) 5.280 4.341 ( 0.627 0.000 0.000) 0.627 4.342 ( 0.602 0.000 0.000) 0.602 4.649 ( 4.756 0.000 0.000) 4.756 4.869 ( -5.140 0.000 0.000) 5.140 5.318 ( 9.334 0.000 0.000) 9.334 5.478 ( 0.975 0.000 -0.000) 0.975 9.546 ( 0.702 0.000 0.000) 0.702 9.553 ( 0.323 0.000 0.000) 0.323 13.178 ( 0.086 0.000 0.000) 0.086 13.190 ( -0.502 0.000 0.000) 0.502 14.521 ( 0.943 0.000 0.000) 0.943 14.587 ( -2.262 0.000 0.000) 2.262 16.243 ( -1.171 0.000 0.000) 1.171 16.259 ( -1.789 0.000 0.000) 1.789 21.824 ( 0.640 0.000 0.000) 0.640 21.841 ( -0.218 0.000 0.000) 0.218 25.200 ( 0.027 0.000 0.000) 0.027 25.201 ( -0.039 0.000 0.000) 0.039 25.236 ( 0.053 0.000 0.000) 0.053 25.246 ( -0.383 0.000 0.000) 0.383 38.968 ( 2.395 0.000 0.000) 2.395 39.023 ( -0.127 0.000 0.000) 0.127 41.569 ( -0.110 0.000 0.000) 0.110 41.570 ( -0.079 0.000 0.000) 0.079 47.500 ( -0.643 0.000 0.000) 0.643 47.546 ( -2.952 0.000 0.000) 2.952 47.772 ( 1.595 0.000 0.000) 1.595 47.800 ( 0.147 0.000 0.000) 0.147 ======================= Grid point 323 (110/120) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -1.563 0.000 0.000) 1.563 1.656 ( 1.563 0.000 0.000) 1.563 2.059 ( -1.924 0.000 0.000) 1.924 2.059 ( 1.924 0.000 0.000) 1.924 2.358 ( -2.897 0.000 -0.000) 2.897 2.358 ( 2.897 0.000 0.000) 2.897 2.422 ( -3.736 0.000 0.000) 3.736 2.422 ( 3.736 0.000 -0.000) 3.736 2.883 ( -0.597 0.000 0.000) 0.597 2.883 ( 0.597 0.000 0.000) 0.597 2.940 ( -6.589 0.000 0.000) 6.589 2.940 ( 6.589 0.000 0.000) 6.589 3.305 ( -4.296 0.000 0.000) 4.296 3.305 ( 4.296 0.000 0.000) 4.296 3.431 ( -1.070 0.000 0.000) 1.070 3.431 ( 1.070 0.000 0.000) 1.070 3.768 ( -0.066 0.000 -0.000) 0.066 3.768 ( 0.066 0.000 0.000) 0.066 3.958 ( -1.109 0.000 0.000) 1.109 3.958 ( 1.109 0.000 0.000) 1.109 4.347 ( -0.044 0.000 0.000) 0.044 4.347 ( 0.044 0.000 0.000) 0.044 4.756 ( -5.824 0.000 0.000) 5.824 4.756 ( 5.824 0.000 0.000) 5.824 5.451 ( -3.954 0.000 0.000) 3.954 5.451 ( 3.954 0.000 0.000) 3.954 9.555 ( -0.168 0.000 0.000) 0.168 9.555 ( 0.168 0.000 0.000) 0.168 13.182 ( -0.310 0.000 0.000) 0.310 13.182 ( 0.310 0.000 0.000) 0.310 14.547 ( -1.671 0.000 0.000) 1.671 14.547 ( 1.671 0.000 0.000) 1.671 16.236 ( -0.467 0.000 0.000) 0.467 16.236 ( 0.467 0.000 0.000) 0.467 21.835 ( -0.430 0.000 0.000) 0.430 21.835 ( 0.430 0.000 0.000) 0.430 25.200 ( -0.036 0.000 0.000) 0.036 25.200 ( 0.036 0.000 0.000) 0.036 25.239 ( -0.296 0.000 0.000) 0.296 25.239 ( 0.296 0.000 0.000) 0.296 39.007 ( -1.435 0.000 0.000) 1.435 39.007 ( 1.435 0.000 0.000) 1.435 41.568 ( -0.067 0.000 0.000) 0.067 41.568 ( 0.067 0.000 0.000) 0.067 47.505 ( -1.163 0.000 0.000) 1.163 47.505 ( 1.163 0.000 0.000) 1.163 47.795 ( -0.694 0.000 0.000) 0.694 47.795 ( 0.694 0.000 0.000) 0.694 ======================= Grid point 333 (111/120) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.000 -0.632 0.000) 0.632 1.691 ( 0.000 -1.828 0.000) 1.828 1.925 ( 0.000 6.658 0.000) 6.658 2.161 ( 0.000 3.207 -0.000) 3.207 2.233 ( 0.000 -5.022 -0.000) 5.022 2.376 ( 0.000 -4.384 -0.000) 4.384 2.527 ( 0.000 1.965 -0.000) 1.965 2.541 ( 0.000 1.340 -0.000) 1.340 2.688 ( 0.000 1.347 0.000) 1.347 2.723 ( 0.000 0.205 0.000) 0.205 2.947 ( 0.000 1.472 0.000) 1.472 3.048 ( 0.000 -1.100 0.000) 1.100 3.144 ( 0.000 1.707 0.000) 1.707 3.338 ( 0.000 -4.981 0.000) 4.981 3.563 ( 0.000 2.114 0.000) 2.114 3.595 ( 0.000 -2.818 0.000) 2.818 3.767 ( 0.000 0.748 0.000) 0.748 3.801 ( 0.000 2.303 0.000) 2.303 4.085 ( 0.000 1.231 0.000) 1.231 4.125 ( 0.000 -0.694 0.000) 0.694 4.153 ( 0.000 2.246 0.000) 2.246 4.293 ( 0.000 0.809 0.000) 0.809 4.507 ( 0.000 -6.240 0.000) 6.240 4.613 ( 0.000 -4.728 0.000) 4.728 5.041 ( 0.000 10.267 0.000) 10.267 5.365 ( 0.000 -3.452 0.000) 3.452 9.513 ( 0.000 0.493 0.000) 0.493 9.530 ( 0.000 -0.111 0.000) 0.111 13.184 ( 0.000 0.312 0.000) 0.312 13.207 ( 0.000 -0.509 0.000) 0.509 14.530 ( 0.000 2.224 0.000) 2.224 14.660 ( 0.000 -2.405 0.000) 2.405 16.336 ( 0.000 -0.001 0.000) 0.001 16.348 ( 0.000 -0.415 0.000) 0.415 21.803 ( 0.000 0.697 0.000) 0.697 21.839 ( 0.000 -0.598 0.000) 0.598 25.200 ( 0.000 0.060 0.000) 0.060 25.202 ( 0.000 -0.033 0.000) 0.033 25.247 ( 0.000 0.179 0.000) 0.179 25.258 ( 0.000 -0.224 0.000) 0.224 38.880 ( 0.000 1.728 0.000) 1.728 38.971 ( 0.000 -1.498 0.000) 1.498 41.571 ( 0.000 0.109 0.000) 0.109 41.580 ( 0.000 -0.213 0.000) 0.213 47.557 ( 0.000 1.235 0.000) 1.235 47.648 ( 0.000 -2.519 0.000) 2.519 47.744 ( 0.000 1.538 0.000) 1.538 47.775 ( 0.000 -0.074 0.000) 0.074 ======================= Grid point 335 (112/120) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -1.332 0.272 0.000) 1.360 1.704 ( 0.110 -1.352 0.000) 1.357 1.933 ( 1.176 4.528 0.000) 4.678 2.186 ( 1.663 0.995 -0.000) 1.938 2.215 ( -1.038 -3.070 0.000) 3.241 2.383 ( 0.161 -2.445 -0.000) 2.450 2.507 ( -1.462 1.559 0.000) 2.137 2.532 ( -1.128 0.854 -0.000) 1.415 2.727 ( 3.249 1.732 0.000) 3.682 2.771 ( 3.684 0.324 0.000) 3.698 2.933 ( -0.860 0.707 0.000) 1.114 3.035 ( -0.973 -2.026 0.000) 2.247 3.172 ( 2.588 1.171 0.000) 2.840 3.358 ( 1.273 -4.182 0.000) 4.372 3.555 ( -1.081 -0.740 0.000) 1.309 3.593 ( -0.311 -0.808 0.000) 0.866 3.764 ( 0.587 1.501 0.000) 1.611 3.788 ( -0.753 2.977 0.000) 3.071 3.958 ( -6.957 1.260 0.000) 7.070 4.026 ( -7.497 -1.069 0.000) 7.573 4.262 ( 5.291 1.812 0.000) 5.593 4.326 ( 1.734 1.977 0.000) 2.630 4.514 ( 0.919 -3.546 0.000) 3.664 4.683 ( 5.810 -7.972 0.000) 9.864 5.100 ( 5.498 9.473 0.000) 10.953 5.378 ( 1.523 -2.551 0.000) 2.971 9.519 ( 0.589 0.464 0.000) 0.750 9.534 ( 0.413 -0.075 0.000) 0.420 13.183 ( -0.116 0.280 0.000) 0.303 13.204 ( -0.300 -0.475 0.000) 0.562 14.528 ( -0.149 2.023 0.000) 2.029 14.646 ( -1.263 -2.200 0.000) 2.537 16.319 ( -1.656 0.046 0.000) 1.657 16.333 ( -1.486 -0.438 0.000) 1.549 21.806 ( 0.350 0.618 0.000) 0.710 21.839 ( 0.009 -0.550 0.000) 0.551 25.200 ( 0.006 0.055 0.000) 0.055 25.202 ( -0.014 -0.030 0.000) 0.033 25.244 ( -0.204 0.198 0.000) 0.284 25.256 ( -0.172 -0.222 0.000) 0.281 38.895 ( 1.460 1.627 0.000) 2.186 38.981 ( 0.921 -1.413 0.000) 1.686 41.571 ( -0.008 0.066 0.000) 0.066 41.577 ( -0.243 -0.164 0.000) 0.293 47.552 ( -0.584 1.126 0.000) 1.268 47.636 ( -1.301 -2.312 0.000) 2.653 47.740 ( -0.079 1.578 0.000) 1.580 47.779 ( 0.360 -0.235 0.000) 0.430 ======================= Grid point 337 (113/120) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -0.556 1.227 0.000) 1.347 1.695 ( -0.836 -0.503 0.000) 0.975 1.974 ( 2.648 1.383 0.000) 2.987 2.171 ( -1.505 -5.757 0.000) 5.951 2.239 ( 1.331 3.993 -0.000) 4.209 2.374 ( -0.477 0.910 -0.000) 1.027 2.474 ( -2.321 0.275 -0.000) 2.338 2.508 ( -0.763 -0.126 -0.000) 0.774 2.776 ( 0.853 2.327 0.000) 2.478 2.831 ( 2.862 1.146 0.000) 3.083 2.928 ( -0.533 -1.117 0.000) 1.238 3.044 ( 3.007 -3.346 0.000) 4.499 3.217 ( 0.984 0.203 0.000) 1.005 3.355 ( -1.759 -0.874 0.000) 1.964 3.498 ( -4.402 -2.646 0.000) 5.136 3.570 ( -2.944 -2.393 0.000) 3.793 3.815 ( 4.352 4.193 0.000) 6.043 3.826 ( 5.533 2.555 -0.000) 6.094 3.846 ( -4.242 0.652 0.000) 4.292 3.884 ( -6.183 -0.624 0.000) 6.215 4.331 ( 1.899 1.293 0.000) 2.298 4.347 ( 0.558 1.769 0.000) 1.855 4.554 ( 3.186 -1.123 0.000) 3.378 4.777 ( 2.542 -9.455 0.000) 9.790 5.236 ( 7.801 7.684 0.000) 10.950 5.429 ( 3.353 -0.949 0.000) 3.484 9.534 ( 0.860 0.388 0.000) 0.943 9.544 ( 0.582 0.015 0.000) 0.583 13.180 ( -0.129 0.189 0.000) 0.228 13.196 ( -0.462 -0.381 0.000) 0.599 14.526 ( -0.018 1.483 0.000) 1.483 14.614 ( -1.911 -1.653 0.000) 2.527 16.279 ( -2.135 0.116 0.000) 2.139 16.295 ( -2.150 -0.445 0.000) 2.196 21.816 ( 0.536 0.418 0.000) 0.679 21.839 ( -0.011 -0.425 0.000) 0.425 25.200 ( 0.011 0.043 0.000) 0.044 25.202 ( -0.026 -0.022 0.000) 0.034 25.240 ( -0.196 0.215 0.000) 0.291 25.251 ( -0.286 -0.194 0.000) 0.346 38.933 ( 2.232 1.309 0.000) 2.588 39.002 ( 1.045 -1.125 0.000) 1.536 41.571 ( -0.044 -0.018 0.000) 0.047 41.572 ( -0.264 -0.069 0.000) 0.273 47.532 ( -1.401 0.878 0.000) 1.653 47.594 ( -2.780 -1.491 0.000) 3.155 47.752 ( 1.162 1.086 0.000) 1.590 47.788 ( 0.555 -0.370 0.000) 0.667 ======================= Grid point 339 (114/120) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.479 0.802 0.000) 0.934 1.677 ( -1.024 -0.446 0.000) 1.117 2.027 ( 2.681 0.914 0.000) 2.833 2.141 ( -2.094 -0.471 0.000) 2.146 2.252 ( 1.233 -0.351 0.000) 1.282 2.372 ( -1.465 -1.620 -0.000) 2.184 2.431 ( -0.342 2.414 0.000) 2.438 2.492 ( -1.135 0.204 -0.000) 1.154 2.784 ( 0.808 -0.297 0.000) 0.861 2.867 ( -1.458 -2.650 0.000) 3.025 2.928 ( 3.297 3.573 0.000) 4.862 3.120 ( 0.797 -1.124 0.000) 1.378 3.204 ( 0.414 1.779 0.000) 1.827 3.319 ( -1.104 -0.872 0.000) 1.407 3.412 ( -3.671 -3.272 0.000) 4.917 3.478 ( -5.620 -3.098 0.000) 6.418 3.786 ( -1.953 0.103 -0.000) 1.956 3.794 ( -2.849 -0.150 -0.000) 2.853 3.927 ( 5.560 3.361 0.000) 6.497 3.945 ( 5.159 2.197 0.000) 5.608 4.349 ( 0.271 0.755 0.000) 0.803 4.354 ( 0.156 0.810 0.000) 0.825 4.631 ( 4.275 -0.902 0.000) 4.369 4.777 ( -2.068 -6.513 0.000) 6.834 5.387 ( 6.704 4.620 0.000) 8.142 5.487 ( 1.781 0.354 0.000) 1.816 9.550 ( 0.651 0.297 0.000) 0.716 9.555 ( 0.383 0.121 0.000) 0.402 13.179 ( -0.001 0.054 0.000) 0.054 13.187 ( -0.418 -0.249 0.000) 0.486 14.530 ( 0.475 0.741 0.000) 0.880 14.576 ( -1.792 -0.905 0.000) 2.008 16.244 ( -1.239 0.073 0.000) 1.241 16.255 ( -1.682 -0.334 0.000) 1.715 21.826 ( 0.495 0.175 0.000) 0.525 21.838 ( -0.112 -0.254 0.000) 0.277 25.200 ( 0.016 0.026 0.000) 0.031 25.201 ( -0.031 -0.009 0.000) 0.032 25.238 ( 0.000 0.165 0.000) 0.165 25.245 ( -0.309 -0.103 0.000) 0.325 38.977 ( 2.020 0.767 0.000) 2.161 39.016 ( 0.237 -0.607 0.000) 0.651 41.568 ( -0.103 -0.021 0.000) 0.105 41.569 ( -0.082 -0.059 0.000) 0.101 47.506 ( -0.900 0.499 0.000) 1.029 47.538 ( -2.498 -0.667 0.000) 2.586 47.778 ( 1.254 0.467 0.000) 1.338 47.797 ( 0.264 -0.245 0.000) 0.361 ======================= Grid point 341 (115/120) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -1.202 -0.172 0.000) 1.214 1.654 ( 1.202 -0.172 0.000) 1.214 2.085 ( -3.133 1.963 0.000) 3.697 2.085 ( 3.133 1.963 0.000) 3.697 2.307 ( -3.763 -2.937 0.000) 4.773 2.307 ( 3.763 -2.937 0.000) 4.773 2.460 ( -1.990 1.881 -0.000) 2.738 2.460 ( 1.990 1.881 -0.000) 2.738 2.818 ( -2.494 -2.919 0.000) 3.840 2.818 ( 2.494 -2.919 0.000) 3.840 3.031 ( -6.135 5.240 0.000) 8.068 3.031 ( 6.135 5.240 0.000) 8.068 3.284 ( -3.941 -1.936 0.000) 4.391 3.284 ( 3.941 -1.936 0.000) 4.391 3.386 ( -2.181 -3.088 0.000) 3.780 3.386 ( 2.182 -3.088 0.000) 3.781 3.767 ( -0.061 -0.058 0.000) 0.084 3.767 ( 0.061 -0.058 0.000) 0.084 3.994 ( -0.606 2.417 0.000) 2.492 3.994 ( 0.607 2.417 0.000) 2.492 4.353 ( -0.185 0.446 0.000) 0.483 4.353 ( 0.185 0.446 0.000) 0.483 4.714 ( -3.922 -2.936 0.000) 4.899 4.714 ( 3.922 -2.936 0.000) 4.899 5.481 ( -2.566 2.041 0.000) 3.278 5.481 ( 2.566 2.041 0.000) 3.278 9.558 ( -0.119 0.213 0.000) 0.244 9.558 ( 0.119 0.213 0.000) 0.244 13.181 ( -0.220 -0.099 0.000) 0.241 13.181 ( 0.220 -0.099 0.000) 0.241 14.546 ( -1.182 -0.082 0.000) 1.184 14.546 ( 1.182 -0.082 0.000) 1.184 16.234 ( -0.334 -0.116 0.000) 0.354 16.234 ( 0.334 -0.116 0.000) 0.354 21.834 ( -0.305 -0.053 0.000) 0.310 21.834 ( 0.305 -0.053 0.000) 0.310 25.200 ( -0.025 0.008 0.000) 0.027 25.200 ( 0.025 0.008 0.000) 0.027 25.240 ( -0.209 0.039 0.000) 0.213 25.240 ( 0.209 0.039 0.000) 0.213 39.008 ( -1.015 0.077 0.000) 1.018 39.008 ( 1.015 0.077 0.000) 1.018 41.568 ( -0.048 -0.038 0.000) 0.061 41.568 ( 0.048 -0.038 0.000) 0.061 47.504 ( -0.822 -0.020 0.000) 0.822 47.504 ( 0.822 -0.020 0.000) 0.822 47.796 ( -0.492 0.037 0.000) 0.493 47.796 ( 0.492 0.037 0.000) 0.493 ======================= Grid point 351 (116/120) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.000 -0.060 0.000) 0.060 1.672 ( 0.000 0.060 0.000) 0.060 2.081 ( 0.000 -7.147 0.000) 7.147 2.081 ( 0.000 7.147 -0.000) 7.147 2.270 ( 0.000 -5.016 -0.000) 5.016 2.270 ( 0.000 5.016 0.000) 5.016 2.554 ( 0.000 -0.322 -0.000) 0.322 2.554 ( 0.000 0.322 -0.000) 0.322 2.717 ( 0.000 -0.930 0.000) 0.930 2.717 ( 0.000 0.930 0.000) 0.930 2.996 ( 0.000 -2.832 0.000) 2.832 2.996 ( 0.000 2.832 0.000) 2.832 3.224 ( 0.000 -4.973 0.000) 4.973 3.224 ( 0.000 4.973 0.000) 4.973 3.572 ( 0.000 -0.283 0.000) 0.283 3.572 ( 0.000 0.283 0.000) 0.283 3.805 ( 0.000 -1.678 0.000) 1.678 3.805 ( 0.000 1.678 0.000) 1.678 4.108 ( 0.000 -0.848 0.000) 0.848 4.108 ( 0.000 0.848 0.000) 0.848 4.236 ( 0.000 -4.842 0.000) 4.842 4.236 ( 0.000 4.842 0.000) 4.842 4.499 ( 0.000 -4.408 0.000) 4.408 4.499 ( 0.000 4.408 0.000) 4.408 5.244 ( 0.000 -7.600 0.000) 7.600 5.244 ( 0.000 7.600 0.000) 7.600 9.524 ( 0.000 -0.428 0.000) 0.428 9.524 ( 0.000 0.428 0.000) 0.428 13.194 ( 0.000 -0.587 0.000) 0.587 13.194 ( 0.000 0.587 0.000) 0.587 14.593 ( 0.000 -3.271 0.000) 3.271 14.593 ( 0.000 3.271 0.000) 3.271 16.339 ( 0.000 -0.303 0.000) 0.303 16.339 ( 0.000 0.303 0.000) 0.303 21.822 ( 0.000 -0.913 0.000) 0.913 21.822 ( 0.000 0.913 0.000) 0.913 25.201 ( 0.000 -0.066 0.000) 0.066 25.201 ( 0.000 0.066 0.000) 0.066 25.252 ( 0.000 -0.284 0.000) 0.284 25.252 ( 0.000 0.284 0.000) 0.284 38.927 ( 0.000 -2.279 0.000) 2.279 38.927 ( 0.000 2.279 0.000) 2.279 41.575 ( 0.000 -0.229 0.000) 0.229 41.575 ( 0.000 0.229 0.000) 0.229 47.595 ( 0.000 -2.148 0.000) 2.148 47.595 ( 0.000 2.148 0.000) 2.148 47.768 ( 0.000 -0.632 0.000) 0.632 47.768 ( 0.000 0.632 0.000) 0.632 ======================= Grid point 355 (117/120) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 0.031 -1.249 0.000) 1.249 1.673 ( 0.031 1.249 0.000) 1.249 2.061 ( -1.482 -6.559 0.000) 6.724 2.061 ( -1.482 6.559 0.000) 6.724 2.299 ( 2.302 -4.689 -0.000) 5.224 2.299 ( 2.302 4.689 -0.000) 5.224 2.535 ( -1.754 -0.636 -0.000) 1.866 2.535 ( -1.754 0.636 -0.000) 1.866 2.764 ( 4.119 -1.173 0.000) 4.283 2.764 ( 4.119 1.173 0.000) 4.283 2.970 ( -2.195 -2.828 0.000) 3.580 2.970 ( -2.195 2.828 0.000) 3.580 3.246 ( 1.822 -5.016 0.000) 5.337 3.246 ( 1.822 5.016 0.000) 5.337 3.567 ( -0.956 -1.414 0.000) 1.707 3.567 ( -0.956 1.414 0.000) 1.707 3.805 ( 0.706 -1.272 0.000) 1.454 3.805 ( 0.706 1.272 0.000) 1.454 3.993 ( -7.391 -1.748 0.000) 7.595 3.993 ( -7.391 1.748 0.000) 7.595 4.318 ( 4.073 -2.761 0.000) 4.920 4.318 ( 4.073 2.761 0.000) 4.920 4.527 ( 2.862 -5.258 0.000) 5.986 4.527 ( 2.862 5.258 0.000) 5.987 5.280 ( 3.580 -6.463 0.000) 7.389 5.280 ( 3.580 6.463 0.000) 7.389 9.529 ( 0.506 -0.382 0.000) 0.634 9.529 ( 0.506 0.382 0.000) 0.634 13.192 ( -0.207 -0.540 0.000) 0.578 13.192 ( -0.207 0.540 0.000) 0.578 14.586 ( -0.703 -2.985 0.000) 3.067 14.586 ( -0.703 2.985 0.000) 3.067 16.323 ( -1.554 -0.357 0.000) 1.595 16.323 ( -1.554 0.357 0.000) 1.595 21.823 ( 0.158 -0.825 0.000) 0.840 21.823 ( 0.158 0.825 0.000) 0.840 25.201 ( -0.005 -0.060 0.000) 0.061 25.201 ( -0.005 0.060 0.000) 0.061 25.250 ( -0.175 -0.297 0.000) 0.344 25.250 ( -0.175 0.297 0.000) 0.344 38.939 ( 1.181 -2.148 0.000) 2.451 38.939 ( 1.181 2.148 0.000) 2.451 41.574 ( -0.122 -0.163 0.000) 0.204 41.574 ( -0.122 0.163 0.000) 0.204 47.587 ( -0.872 -1.988 0.000) 2.171 47.587 ( -0.872 1.988 0.000) 2.171 47.768 ( 0.054 -0.845 0.000) 0.847 47.768 ( 0.054 0.845 0.000) 0.847 ======================= Grid point 359 (118/120) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -0.419 -1.575 0.000) 1.630 1.670 ( -0.419 1.575 0.000) 1.630 2.046 ( 0.406 -4.941 0.000) 4.958 2.046 ( 0.406 4.941 0.000) 4.958 2.334 ( 0.565 -3.780 -0.000) 3.822 2.334 ( 0.565 3.780 -0.000) 3.822 2.496 ( -1.773 -1.030 0.000) 2.051 2.496 ( -1.773 1.030 -0.000) 2.051 2.829 ( 0.694 -1.865 0.000) 1.990 2.829 ( 0.694 1.865 0.000) 1.990 2.950 ( 1.910 -3.732 0.000) 4.192 2.950 ( 1.910 3.732 0.000) 4.192 3.275 ( 0.637 -4.534 0.000) 4.579 3.275 ( 0.637 4.534 0.000) 4.579 3.514 ( -4.508 -2.563 0.000) 5.186 3.514 ( -4.508 2.563 0.000) 5.186 3.862 ( 5.046 -0.309 -0.001) 5.055 3.862 ( 5.046 0.309 -0.000) 5.055 3.865 ( -5.223 -0.971 0.000) 5.313 3.865 ( -5.223 0.971 0.001) 5.313 4.362 ( 0.729 -0.930 0.000) 1.182 4.362 ( 0.729 0.930 0.000) 1.182 4.597 ( 3.560 -5.799 0.000) 6.804 4.597 ( 3.560 5.799 0.000) 6.804 5.373 ( 5.334 -4.408 0.000) 6.919 5.373 ( 5.334 4.408 0.000) 6.920 9.542 ( 0.727 -0.264 0.000) 0.773 9.542 ( 0.727 0.264 0.000) 0.773 13.187 ( -0.295 -0.408 0.000) 0.504 13.187 ( -0.295 0.408 0.000) 0.504 14.569 ( -0.962 -2.217 0.000) 2.417 14.569 ( -0.962 2.217 0.000) 2.417 16.285 ( -2.117 -0.413 0.000) 2.157 16.285 ( -2.117 0.413 0.000) 2.157 21.827 ( 0.234 -0.597 0.000) 0.641 21.827 ( 0.234 0.597 0.000) 0.641 25.201 ( -0.009 -0.046 0.000) 0.047 25.201 ( -0.009 0.046 0.000) 0.047 25.246 ( -0.224 -0.290 0.000) 0.366 25.246 ( -0.224 0.290 0.000) 0.366 38.969 ( 1.628 -1.721 0.000) 2.369 38.969 ( 1.628 1.721 0.000) 2.369 41.571 ( -0.150 -0.038 0.000) 0.155 41.571 ( -0.150 0.038 0.000) 0.155 47.559 ( -1.910 -1.522 0.000) 2.443 47.559 ( -1.910 1.522 0.000) 2.443 47.775 ( 0.658 -0.880 0.000) 1.099 47.775 ( 0.658 0.880 0.000) 1.099 ======================= Grid point 363 (119/120) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -0.605 -1.106 0.000) 1.260 1.658 ( -0.605 1.106 0.000) 1.261 2.078 ( 2.523 -3.429 0.000) 4.257 2.078 ( 2.523 3.429 0.000) 4.257 2.308 ( -2.764 -3.535 0.000) 4.487 2.308 ( -2.764 3.535 0.000) 4.487 2.480 ( 0.029 -1.458 0.000) 1.458 2.480 ( 0.029 1.458 0.000) 1.458 2.803 ( -1.810 -2.119 0.000) 2.787 2.803 ( -1.810 2.119 0.000) 2.787 3.037 ( 5.423 -5.269 0.000) 7.561 3.037 ( 5.423 5.269 0.000) 7.561 3.268 ( -1.246 -3.600 0.000) 3.810 3.268 ( -1.246 3.600 0.000) 3.810 3.408 ( -5.381 -2.652 0.000) 5.999 3.408 ( -5.381 2.652 0.000) 5.999 3.790 ( -2.437 -0.199 -0.000) 2.445 3.790 ( -2.437 0.199 -0.000) 2.445 3.972 ( 4.989 -0.310 0.000) 4.999 3.972 ( 4.989 0.310 0.000) 4.999 4.364 ( -0.262 -0.230 0.000) 0.349 4.364 ( -0.262 0.230 0.000) 0.349 4.653 ( 1.998 -3.602 0.000) 4.119 4.653 ( 1.998 3.602 0.000) 4.119 5.469 ( 3.802 -2.325 0.000) 4.456 5.469 ( 3.802 2.325 0.000) 4.456 9.555 ( 0.522 -0.125 0.000) 0.536 9.555 ( 0.522 0.125 0.000) 0.536 13.181 ( -0.211 -0.217 0.000) 0.303 13.181 ( -0.211 0.217 0.000) 0.303 14.552 ( -0.657 -1.164 0.000) 1.337 14.552 ( -0.657 1.164 0.000) 1.337 16.248 ( -1.441 -0.298 0.000) 1.472 16.248 ( -1.441 0.298 0.000) 1.472 21.832 ( 0.172 -0.305 0.000) 0.350 21.832 ( 0.172 0.305 0.000) 0.350 25.201 ( -0.008 -0.025 0.000) 0.026 25.201 ( -0.008 0.025 0.000) 0.026 25.242 ( -0.143 -0.190 0.000) 0.238 25.242 ( -0.143 0.190 0.000) 0.238 38.998 ( 1.123 -0.971 0.000) 1.485 38.998 ( 1.123 0.971 0.000) 1.485 41.568 ( -0.091 -0.028 0.000) 0.095 41.568 ( -0.091 0.028 0.000) 0.095 47.521 ( -1.607 -0.808 0.000) 1.799 47.521 ( -1.607 0.808 0.000) 1.799 47.789 ( 0.655 -0.490 0.000) 0.818 47.789 ( 0.655 0.490 0.000) 0.818 ======================= Grid point 367 (120/120) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.000 0.000 0.000) 0.000 1.651 ( 0.000 0.000 0.000) 0.000 2.115 ( -0.000 -0.000 -0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 2.267 ( -0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.482 ( 0.000 -0.000 -0.000) 0.000 2.482 ( 0.000 0.000 -0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 3.113 ( -0.000 -0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 -0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 -0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 4.026 ( 0.000 -0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.360 ( 0.000 -0.000 0.000) 0.000 4.360 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 9.561 ( -0.000 0.000 0.000) 0.000 9.561 ( 0.000 0.000 0.000) 0.000 13.179 ( 0.000 0.000 0.000) 0.000 13.179 ( 0.000 0.000 0.000) 0.000 14.545 ( 0.000 0.000 0.000) 0.000 14.545 ( 0.000 0.000 0.000) 0.000 16.233 ( 0.000 0.000 0.000) 0.000 16.233 ( 0.000 0.000 0.000) 0.000 21.833 ( 0.000 0.000 0.000) 0.000 21.833 ( 0.000 0.000 0.000) 0.000 25.201 ( 0.000 0.000 0.000) 0.000 25.201 ( 0.000 0.000 0.000) 0.000 25.241 ( 0.000 0.000 0.000) 0.000 25.241 ( 0.000 0.000 0.000) 0.000 39.009 ( 0.000 0.000 0.000) 0.000 39.009 ( 0.000 0.000 0.000) 0.000 41.567 ( 0.000 0.000 0.000) 0.000 41.567 ( 0.000 0.000 0.000) 0.000 47.504 ( -0.000 0.000 0.000) 0.000 47.504 ( 0.000 0.000 0.000) 0.000 47.796 ( 0.000 -0.000 0.000) 0.000 47.796 ( 0.000 0.000 0.000) 0.000 =================== 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 3/21504 10.0 91.596 67.873 143.500 0.000 0.000 0.000 3/21504 20.0 21.042 15.700 38.680 0.000 0.000 0.000 3/21504 30.0 8.130 6.314 15.743 0.000 0.000 0.000 3/21504 40.0 4.674 3.709 9.381 0.000 0.000 0.000 3/21504 50.0 3.273 2.621 6.756 0.000 0.000 0.000 3/21504 60.0 2.539 2.041 5.355 0.000 0.000 0.000 3/21504 70.0 2.089 1.682 4.475 0.000 0.000 0.000 3/21504 80.0 1.783 1.437 3.864 0.000 0.000 0.000 3/21504 90.0 1.560 1.258 3.409 0.000 0.000 0.000 3/21504 100.0 1.389 1.121 3.055 0.000 0.000 0.000 3/21504 110.0 1.254 1.012 2.770 0.000 0.000 0.000 3/21504 120.0 1.143 0.924 2.536 0.000 0.000 0.000 3/21504 130.0 1.051 0.850 2.339 0.000 0.000 0.000 3/21504 140.0 0.974 0.788 2.172 0.000 0.000 0.000 3/21504 150.0 0.907 0.734 2.028 0.000 0.000 0.000 3/21504 160.0 0.849 0.688 1.902 0.000 0.000 0.000 3/21504 170.0 0.799 0.647 1.792 0.000 0.000 0.000 3/21504 180.0 0.754 0.612 1.694 0.000 0.000 0.000 3/21504 190.0 0.715 0.580 1.608 0.000 0.000 0.000 3/21504 200.0 0.679 0.551 1.530 0.000 0.000 0.000 3/21504 210.0 0.647 0.526 1.461 0.000 0.000 0.000 3/21504 220.0 0.619 0.503 1.398 0.000 0.000 0.000 3/21504 230.0 0.593 0.482 1.342 0.000 0.000 0.000 3/21504 240.0 0.569 0.463 1.291 0.000 0.000 0.000 3/21504 250.0 0.548 0.445 1.245 0.000 0.000 0.000 3/21504 260.0 0.528 0.429 1.203 0.000 0.000 0.000 3/21504 270.0 0.511 0.415 1.165 0.000 0.000 0.000 3/21504 280.0 0.495 0.401 1.131 0.000 0.000 0.000 3/21504 290.0 0.480 0.389 1.100 0.000 0.000 0.000 3/21504 300.0 0.467 0.377 1.073 0.000 0.000 0.000 3/21504 310.0 0.455 0.367 1.047 0.000 0.000 0.000 3/21504 320.0 0.444 0.357 1.025 0.000 0.000 0.000 3/21504 330.0 0.434 0.348 1.005 0.000 0.000 0.000 3/21504 340.0 0.425 0.339 0.986 0.000 0.000 0.000 3/21504 350.0 0.416 0.332 0.970 0.000 0.000 0.000 3/21504 360.0 0.409 0.324 0.956 0.000 0.000 0.000 3/21504 370.0 0.402 0.317 0.943 0.000 0.000 0.000 3/21504 380.0 0.396 0.311 0.931 0.000 0.000 0.000 3/21504 390.0 0.391 0.305 0.921 0.000 0.000 0.000 3/21504 400.0 0.386 0.300 0.913 0.000 0.000 0.000 3/21504 410.0 0.381 0.294 0.905 0.000 0.000 0.000 3/21504 420.0 0.377 0.289 0.898 0.000 0.000 0.000 3/21504 430.0 0.373 0.285 0.892 0.000 0.000 0.000 3/21504 440.0 0.370 0.281 0.887 0.000 0.000 0.000 3/21504 450.0 0.367 0.276 0.883 0.000 0.000 0.000 3/21504 460.0 0.365 0.273 0.879 0.000 0.000 0.000 3/21504 470.0 0.362 0.269 0.876 0.000 0.000 0.000 3/21504 480.0 0.360 0.265 0.873 0.000 0.000 0.000 3/21504 490.0 0.358 0.262 0.871 0.000 0.000 0.000 3/21504 500.0 0.356 0.259 0.870 0.000 0.000 0.000 3/21504 510.0 0.354 0.256 0.868 0.000 0.000 0.000 3/21504 520.0 0.353 0.253 0.867 0.000 0.000 0.000 3/21504 530.0 0.352 0.250 0.866 0.000 0.000 0.000 3/21504 540.0 0.350 0.248 0.865 0.000 0.000 0.000 3/21504 550.0 0.349 0.245 0.865 0.000 0.000 0.000 3/21504 560.0 0.348 0.243 0.865 0.000 0.000 0.000 3/21504 570.0 0.347 0.240 0.864 0.000 0.000 0.000 3/21504 580.0 0.346 0.238 0.864 0.000 0.000 0.000 3/21504 590.0 0.345 0.236 0.864 0.000 0.000 0.000 3/21504 600.0 0.344 0.234 0.864 0.000 0.000 0.000 3/21504 610.0 0.343 0.232 0.864 0.000 0.000 0.000 3/21504 620.0 0.343 0.230 0.864 0.000 0.000 0.000 3/21504 630.0 0.342 0.228 0.865 0.000 0.000 0.000 3/21504 640.0 0.341 0.226 0.865 0.000 0.000 0.000 3/21504 650.0 0.340 0.224 0.865 0.000 0.000 0.000 3/21504 660.0 0.339 0.223 0.865 0.000 0.000 0.000 3/21504 670.0 0.339 0.221 0.865 0.000 0.000 0.000 3/21504 680.0 0.338 0.219 0.865 0.000 0.000 0.000 3/21504 690.0 0.337 0.218 0.865 0.000 0.000 0.000 3/21504 700.0 0.336 0.216 0.865 0.000 0.000 0.000 3/21504 710.0 0.336 0.214 0.865 0.000 0.000 0.000 3/21504 720.0 0.335 0.213 0.865 0.000 0.000 0.000 3/21504 730.0 0.334 0.211 0.864 0.000 0.000 0.000 3/21504 740.0 0.333 0.210 0.864 0.000 0.000 0.000 3/21504 750.0 0.333 0.208 0.864 0.000 0.000 0.000 3/21504 760.0 0.332 0.207 0.863 0.000 0.000 0.000 3/21504 770.0 0.331 0.206 0.863 0.000 0.000 0.000 3/21504 780.0 0.330 0.204 0.863 0.000 0.000 0.000 3/21504 790.0 0.329 0.203 0.862 0.000 0.000 0.000 3/21504 800.0 0.329 0.202 0.861 0.000 0.000 0.000 3/21504 810.0 0.328 0.200 0.861 0.000 0.000 0.000 3/21504 820.0 0.327 0.199 0.860 0.000 0.000 0.000 3/21504 830.0 0.326 0.198 0.859 0.000 0.000 0.000 3/21504 840.0 0.325 0.196 0.858 0.000 0.000 0.000 3/21504 850.0 0.324 0.195 0.857 0.000 0.000 0.000 3/21504 860.0 0.323 0.194 0.856 0.000 0.000 0.000 3/21504 870.0 0.322 0.193 0.855 0.000 0.000 0.000 3/21504 880.0 0.321 0.192 0.854 0.000 0.000 0.000 3/21504 890.0 0.321 0.190 0.853 0.000 0.000 0.000 3/21504 900.0 0.320 0.189 0.852 0.000 0.000 0.000 3/21504 910.0 0.319 0.188 0.851 0.000 0.000 0.000 3/21504 920.0 0.318 0.187 0.849 0.000 0.000 0.000 3/21504 930.0 0.317 0.186 0.848 0.000 0.000 0.000 3/21504 940.0 0.316 0.185 0.847 0.000 0.000 0.000 3/21504 950.0 0.315 0.184 0.845 0.000 0.000 0.000 3/21504 960.0 0.314 0.183 0.844 0.000 0.000 0.000 3/21504 970.0 0.313 0.182 0.842 0.000 0.000 0.000 3/21504 980.0 0.312 0.181 0.841 0.000 0.000 0.000 3/21504 990.0 0.311 0.179 0.839 0.000 0.000 0.000 3/21504 1000.0 0.310 0.178 0.838 0.000 0.000 0.000 3/21504 Thermal conductivity related properties were written into "kappa-m8414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:07:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|