----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:52:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.108068139999999 -7.912198165000000 0.000000000000000 b 2.108068139999999 7.912198165000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.950226819999999 Atomic positions (fractional): *1 Se 0.06254044765531 0.93745955234469 0.25000000000000 78.960 2 Se 0.93745955234469 0.06254044765531 0.75000000000000 78.960 *3 Se 0.62012338513648 0.37987661486352 0.54423118072171 78.960 4 Se 0.62012338513648 0.37987661486352 0.95576881927829 78.960 5 Se 0.37987661486352 0.62012338513648 0.04423118072171 78.960 6 Se 0.37987661486352 0.62012338513648 0.45576881927829 78.960 *7 Cd 0.53981761692674 0.46018238307326 0.75000000000000 112.411 8 Cd 0.46018238307326 0.53981761692674 0.25000000000000 112.411 *9 Cs 0.74527797462206 0.25472202537794 0.25000000000000 132.905 10 Cs 0.25472202537794 0.74527797462206 0.75000000000000 132.905 *11 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 12 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.216136279999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.824396330000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.950226819999999 Atomic positions (fractional): *1 Se 0.50000000000000 0.43745955234469 0.25000000000000 78.960 > 1 2 Se 0.00000000000000 0.06254044765531 0.75000000000000 78.960 > 2 *3 Se 0.00000000000000 0.37987661486352 0.54423118072171 78.960 > 3 4 Se 0.00000000000000 0.37987661486352 0.95576881927829 78.960 > 4 5 Se 0.50000000000000 0.12012338513648 0.04423118072171 78.960 > 5 6 Se 0.50000000000000 0.12012338513648 0.45576881927829 78.960 > 6 7 Se 0.00000000000000 0.93745955234469 0.25000000000000 78.960 > 1 8 Se 0.50000000000000 0.56254044765531 0.75000000000000 78.960 > 2 9 Se 0.50000000000000 0.87987661486352 0.54423118072171 78.960 > 3 10 Se 0.50000000000000 0.87987661486352 0.95576881927829 78.960 > 4 11 Se 0.00000000000000 0.62012338513648 0.04423118072171 78.960 > 5 12 Se 0.00000000000000 0.62012338513648 0.45576881927829 78.960 > 6 *13 Cd 0.00000000000000 0.46018238307326 0.75000000000000 112.411 > 7 14 Cd 0.50000000000000 0.03981761692674 0.25000000000000 112.411 > 8 15 Cd 0.50000000000000 0.96018238307326 0.75000000000000 112.411 > 7 16 Cd 0.00000000000000 0.53981761692674 0.25000000000000 112.411 > 8 *17 Cs 0.00000000000000 0.25472202537794 0.25000000000000 132.905 > 9 18 Cs 0.50000000000000 0.24527797462206 0.75000000000000 132.905 > 10 19 Cs 0.50000000000000 0.75472202537794 0.25000000000000 132.905 > 9 20 Cs 0.00000000000000 0.74527797462206 0.75000000000000 132.905 > 10 *21 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 11 22 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 12 23 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 > 11 24 Dy 0.50000000000000 0.50000000000000 0.00000000000000 162.500 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.648408839999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.824396330000001 0.000000000000000 c 0.000000000000000 0.000000000000000 21.900453639999999 Atomic positions (fractional): *1 Se 0.16666666666667 0.43745955234469 0.12500000000000 78.960 > 1 2 Se 0.50000000000000 0.43745955234469 0.12500000000000 78.960 > 1 3 Se 0.83333333333333 0.43745955234469 0.12500000000000 78.960 > 1 4 Se 0.16666666666667 0.43745955234469 0.62500000000000 78.960 > 1 5 Se 0.50000000000000 0.43745955234469 0.62500000000000 78.960 > 1 6 Se 0.83333333333333 0.43745955234469 0.62500000000000 78.960 > 1 7 Se 0.00000000000000 0.06254044765531 0.37500000000000 78.960 > 2 8 Se 0.33333333333333 0.06254044765531 0.37500000000000 78.960 > 2 9 Se 0.66666666666667 0.06254044765531 0.37500000000000 78.960 > 2 10 Se 0.00000000000000 0.06254044765531 0.87500000000000 78.960 > 2 11 Se 0.33333333333333 0.06254044765531 0.87500000000000 78.960 > 2 12 Se 0.66666666666667 0.06254044765531 0.87500000000000 78.960 > 2 *13 Se 0.00000000000000 0.37987661486352 0.27211559036085 78.960 > 3 14 Se 0.33333333333333 0.37987661486352 0.27211559036085 78.960 > 3 15 Se 0.66666666666667 0.37987661486352 0.27211559036085 78.960 > 3 16 Se 0.00000000000000 0.37987661486352 0.77211559036085 78.960 > 3 17 Se 0.33333333333333 0.37987661486352 0.77211559036085 78.960 > 3 18 Se 0.66666666666667 0.37987661486352 0.77211559036085 78.960 > 3 19 Se 0.00000000000000 0.37987661486352 0.47788440963915 78.960 > 4 20 Se 0.33333333333333 0.37987661486352 0.47788440963915 78.960 > 4 21 Se 0.66666666666667 0.37987661486352 0.47788440963915 78.960 > 4 22 Se 0.00000000000000 0.37987661486352 0.97788440963915 78.960 > 4 23 Se 0.33333333333333 0.37987661486352 0.97788440963915 78.960 > 4 24 Se 0.66666666666667 0.37987661486352 0.97788440963915 78.960 > 4 25 Se 0.16666666666667 0.12012338513648 0.02211559036085 78.960 > 5 26 Se 0.50000000000000 0.12012338513648 0.02211559036085 78.960 > 5 27 Se 0.83333333333333 0.12012338513648 0.02211559036085 78.960 > 5 28 Se 0.16666666666667 0.12012338513648 0.52211559036085 78.960 > 5 29 Se 0.50000000000000 0.12012338513648 0.52211559036085 78.960 > 5 30 Se 0.83333333333333 0.12012338513648 0.52211559036085 78.960 > 5 31 Se 0.16666666666667 0.12012338513648 0.22788440963915 78.960 > 6 32 Se 0.50000000000000 0.12012338513648 0.22788440963915 78.960 > 6 33 Se 0.83333333333333 0.12012338513648 0.22788440963915 78.960 > 6 34 Se 0.16666666666667 0.12012338513648 0.72788440963915 78.960 > 6 35 Se 0.50000000000000 0.12012338513648 0.72788440963915 78.960 > 6 36 Se 0.83333333333333 0.12012338513648 0.72788440963915 78.960 > 6 37 Se 0.00000000000000 0.93745955234469 0.12500000000000 78.960 > 1 38 Se 0.33333333333333 0.93745955234469 0.12500000000000 78.960 > 1 39 Se 0.66666666666667 0.93745955234469 0.12500000000000 78.960 > 1 40 Se 0.00000000000000 0.93745955234469 0.62500000000000 78.960 > 1 41 Se 0.33333333333333 0.93745955234469 0.62500000000000 78.960 > 1 42 Se 0.66666666666667 0.93745955234469 0.62500000000000 78.960 > 1 43 Se 0.16666666666667 0.56254044765531 0.37500000000000 78.960 > 2 44 Se 0.50000000000000 0.56254044765531 0.37500000000000 78.960 > 2 45 Se 0.83333333333333 0.56254044765531 0.37500000000000 78.960 > 2 46 Se 0.16666666666667 0.56254044765531 0.87500000000000 78.960 > 2 47 Se 0.50000000000000 0.56254044765531 0.87500000000000 78.960 > 2 48 Se 0.83333333333333 0.56254044765531 0.87500000000000 78.960 > 2 49 Se 0.16666666666667 0.87987661486352 0.27211559036085 78.960 > 3 50 Se 0.50000000000000 0.87987661486352 0.27211559036085 78.960 > 3 51 Se 0.83333333333333 0.87987661486352 0.27211559036085 78.960 > 3 52 Se 0.16666666666667 0.87987661486352 0.77211559036085 78.960 > 3 53 Se 0.50000000000000 0.87987661486352 0.77211559036085 78.960 > 3 54 Se 0.83333333333333 0.87987661486352 0.77211559036085 78.960 > 3 55 Se 0.16666666666667 0.87987661486352 0.47788440963915 78.960 > 4 56 Se 0.50000000000000 0.87987661486352 0.47788440963915 78.960 > 4 57 Se 0.83333333333333 0.87987661486352 0.47788440963915 78.960 > 4 58 Se 0.16666666666667 0.87987661486352 0.97788440963915 78.960 > 4 59 Se 0.50000000000000 0.87987661486352 0.97788440963915 78.960 > 4 60 Se 0.83333333333333 0.87987661486352 0.97788440963915 78.960 > 4 61 Se 0.00000000000000 0.62012338513648 0.02211559036085 78.960 > 5 62 Se 0.33333333333333 0.62012338513648 0.02211559036085 78.960 > 5 63 Se 0.66666666666667 0.62012338513648 0.02211559036085 78.960 > 5 64 Se 0.00000000000000 0.62012338513648 0.52211559036085 78.960 > 5 65 Se 0.33333333333333 0.62012338513648 0.52211559036085 78.960 > 5 66 Se 0.66666666666667 0.62012338513648 0.52211559036085 78.960 > 5 67 Se 0.00000000000000 0.62012338513648 0.22788440963915 78.960 > 6 68 Se 0.33333333333333 0.62012338513648 0.22788440963915 78.960 > 6 69 Se 0.66666666666667 0.62012338513648 0.22788440963915 78.960 > 6 70 Se 0.00000000000000 0.62012338513648 0.72788440963915 78.960 > 6 71 Se 0.33333333333333 0.62012338513648 0.72788440963915 78.960 > 6 72 Se 0.66666666666667 0.62012338513648 0.72788440963915 78.960 > 6 *73 Cd 0.00000000000000 0.46018238307326 0.37500000000000 112.411 > 7 74 Cd 0.33333333333333 0.46018238307326 0.37500000000000 112.411 > 7 75 Cd 0.66666666666667 0.46018238307326 0.37500000000000 112.411 > 7 76 Cd 0.00000000000000 0.46018238307326 0.87500000000000 112.411 > 7 77 Cd 0.33333333333333 0.46018238307326 0.87500000000000 112.411 > 7 78 Cd 0.66666666666667 0.46018238307326 0.87500000000000 112.411 > 7 79 Cd 0.16666666666667 0.03981761692674 0.12500000000000 112.411 > 8 80 Cd 0.50000000000000 0.03981761692674 0.12500000000000 112.411 > 8 81 Cd 0.83333333333333 0.03981761692674 0.12500000000000 112.411 > 8 82 Cd 0.16666666666667 0.03981761692674 0.62500000000000 112.411 > 8 83 Cd 0.50000000000000 0.03981761692674 0.62500000000000 112.411 > 8 84 Cd 0.83333333333333 0.03981761692674 0.62500000000000 112.411 > 8 85 Cd 0.16666666666667 0.96018238307326 0.37500000000000 112.411 > 7 86 Cd 0.50000000000000 0.96018238307326 0.37500000000000 112.411 > 7 87 Cd 0.83333333333333 0.96018238307326 0.37500000000000 112.411 > 7 88 Cd 0.16666666666667 0.96018238307326 0.87500000000000 112.411 > 7 89 Cd 0.50000000000000 0.96018238307326 0.87500000000000 112.411 > 7 90 Cd 0.83333333333333 0.96018238307326 0.87500000000000 112.411 > 7 91 Cd 0.00000000000000 0.53981761692674 0.12500000000000 112.411 > 8 92 Cd 0.33333333333333 0.53981761692674 0.12500000000000 112.411 > 8 93 Cd 0.66666666666667 0.53981761692674 0.12500000000000 112.411 > 8 94 Cd 0.00000000000000 0.53981761692674 0.62500000000000 112.411 > 8 95 Cd 0.33333333333333 0.53981761692674 0.62500000000000 112.411 > 8 96 Cd 0.66666666666667 0.53981761692674 0.62500000000000 112.411 > 8 *97 Cs 0.00000000000000 0.25472202537794 0.12500000000000 132.905 > 9 98 Cs 0.33333333333333 0.25472202537794 0.12500000000000 132.905 > 9 99 Cs 0.66666666666667 0.25472202537794 0.12500000000000 132.905 > 9 100 Cs 0.00000000000000 0.25472202537794 0.62500000000000 132.905 > 9 101 Cs 0.33333333333333 0.25472202537794 0.62500000000000 132.905 > 9 102 Cs 0.66666666666667 0.25472202537794 0.62500000000000 132.905 > 9 103 Cs 0.16666666666667 0.24527797462206 0.37500000000000 132.905 > 10 104 Cs 0.50000000000000 0.24527797462206 0.37500000000000 132.905 > 10 105 Cs 0.83333333333333 0.24527797462206 0.37500000000000 132.905 > 10 106 Cs 0.16666666666667 0.24527797462206 0.87500000000000 132.905 > 10 107 Cs 0.50000000000000 0.24527797462206 0.87500000000000 132.905 > 10 108 Cs 0.83333333333333 0.24527797462206 0.87500000000000 132.905 > 10 109 Cs 0.16666666666667 0.75472202537794 0.12500000000000 132.905 > 9 110 Cs 0.50000000000000 0.75472202537794 0.12500000000000 132.905 > 9 111 Cs 0.83333333333333 0.75472202537794 0.12500000000000 132.905 > 9 112 Cs 0.16666666666667 0.75472202537794 0.62500000000000 132.905 > 9 113 Cs 0.50000000000000 0.75472202537794 0.62500000000000 132.905 > 9 114 Cs 0.83333333333333 0.75472202537794 0.62500000000000 132.905 > 9 115 Cs 0.00000000000000 0.74527797462206 0.37500000000000 132.905 > 10 116 Cs 0.33333333333333 0.74527797462206 0.37500000000000 132.905 > 10 117 Cs 0.66666666666667 0.74527797462206 0.37500000000000 132.905 > 10 118 Cs 0.00000000000000 0.74527797462206 0.87500000000000 132.905 > 10 119 Cs 0.33333333333333 0.74527797462206 0.87500000000000 132.905 > 10 120 Cs 0.66666666666667 0.74527797462206 0.87500000000000 132.905 > 10 *121 Dy 0.00000000000000 0.00000000000000 0.25000000000000 162.500 > 11 122 Dy 0.33333333333333 0.00000000000000 0.25000000000000 162.500 > 11 123 Dy 0.66666666666667 0.00000000000000 0.25000000000000 162.500 > 11 124 Dy 0.00000000000000 0.00000000000000 0.75000000000000 162.500 > 11 125 Dy 0.33333333333333 0.00000000000000 0.75000000000000 162.500 > 11 126 Dy 0.66666666666667 0.00000000000000 0.75000000000000 162.500 > 11 127 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 12 128 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 12 129 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 12 130 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 12 131 Dy 0.33333333333333 0.00000000000000 0.50000000000000 162.500 > 12 132 Dy 0.66666666666667 0.00000000000000 0.50000000000000 162.500 > 12 133 Dy 0.16666666666667 0.50000000000000 0.25000000000000 162.500 > 11 134 Dy 0.50000000000000 0.50000000000000 0.25000000000000 162.500 > 11 135 Dy 0.83333333333333 0.50000000000000 0.25000000000000 162.500 > 11 136 Dy 0.16666666666667 0.50000000000000 0.75000000000000 162.500 > 11 137 Dy 0.50000000000000 0.50000000000000 0.75000000000000 162.500 > 11 138 Dy 0.83333333333333 0.50000000000000 0.75000000000000 162.500 > 11 139 Dy 0.16666666666667 0.50000000000000 0.00000000000000 162.500 > 12 140 Dy 0.50000000000000 0.50000000000000 0.00000000000000 162.500 > 12 141 Dy 0.83333333333333 0.50000000000000 0.00000000000000 162.500 > 12 142 Dy 0.16666666666667 0.50000000000000 0.50000000000000 162.500 > 12 143 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 > 12 144 Dy 0.83333333333333 0.50000000000000 0.50000000000000 162.500 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8245193 0.0000000 0.0000000 0.0000000 4.6616934 0.0000000 0.0000000 0.0000000 6.7149850 -------------------------- Born effective charges -------------------------- 1 Se -2.2133995 0.0000000 0.0000000 0.0000000 -1.2056013 0.0000000 0.0000000 0.0000000 -3.3796780 2 Se -2.2133995 0.0000000 0.0000000 0.0000000 -1.2056013 0.0000000 0.0000000 0.0000000 -3.3796780 3 Se -2.8810723 0.0000000 0.0000000 0.0000000 -1.6494654 0.0570373 0.0000000 0.1617808 -2.1786205 4 Se -2.8810723 0.0000000 0.0000000 0.0000000 -1.6494654 -0.0570373 0.0000000 -0.1617808 -2.1786205 5 Se -2.8810723 0.0000000 0.0000000 0.0000000 -1.6494654 -0.0570373 0.0000000 -0.1617808 -2.1786205 6 Se -2.8810723 0.0000000 0.0000000 0.0000000 -1.6494654 0.0570373 0.0000000 0.1617808 -2.1786205 7 Cd 1.8710645 0.0000000 0.0000000 0.0000000 0.8379730 0.0000000 0.0000000 0.0000000 1.9349775 8 Cd 1.8710645 0.0000000 0.0000000 0.0000000 0.8379730 0.0000000 0.0000000 0.0000000 1.9349775 9 Cs 1.1774779 0.0000000 0.0000000 0.0000000 1.9392601 0.0000000 0.0000000 0.0000000 1.3464870 10 Cs 1.1774779 0.0000000 0.0000000 0.0000000 1.9392601 0.0000000 0.0000000 0.0000000 1.3464870 11 Dy 4.9270018 0.0000000 0.0000000 0.0000000 1.7272990 -0.2304757 0.0000000 -0.2947252 4.4554545 12 Dy 4.9270018 0.0000000 0.0000000 0.0000000 1.7272990 0.2304757 0.0000000 0.2947252 4.4554545 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 1.607 Solver_block: 200 / 240 - Time: 1.633 Solver_block: 240 / 240 - Time: 0.729 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.995 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:52:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:52:36]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.108068139999999 -7.912198165000000 0.000000000000000 b 2.108068139999999 7.912198165000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.950226819999999 Atomic positions (fractional): 1 Se 0.06254044765531 0.93745955234469 0.25000000000000 78.960 2 Se 0.93745955234469 0.06254044765531 0.75000000000000 78.960 3 Se 0.62012338513648 0.37987661486352 0.54423118072171 78.960 4 Se 0.62012338513648 0.37987661486352 0.95576881927829 78.960 5 Se 0.37987661486352 0.62012338513648 0.04423118072171 78.960 6 Se 0.37987661486352 0.62012338513648 0.45576881927829 78.960 7 Cd 0.53981761692674 0.46018238307326 0.75000000000000 112.411 8 Cd 0.46018238307326 0.53981761692674 0.25000000000000 112.411 9 Cs 0.74527797462206 0.25472202537794 0.25000000000000 132.905 10 Cs 0.25472202537794 0.74527797462206 0.75000000000000 132.905 11 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 12 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.648408839999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.824396330000001 0.000000000000000 c 0.000000000000000 0.000000000000000 21.900453639999999 Atomic positions (fractional): 1 Se 0.16666666666667 0.43745955234469 0.12500000000000 78.960 > 1 2 Se 0.50000000000000 0.43745955234469 0.12500000000000 78.960 > 1 3 Se 0.83333333333333 0.43745955234469 0.12500000000000 78.960 > 1 4 Se 0.16666666666667 0.43745955234469 0.62500000000000 78.960 > 1 5 Se 0.50000000000000 0.43745955234469 0.62500000000000 78.960 > 1 6 Se 0.83333333333333 0.43745955234469 0.62500000000000 78.960 > 1 7 Se 0.00000000000000 0.06254044765531 0.37500000000000 78.960 > 7 8 Se 0.33333333333333 0.06254044765531 0.37500000000000 78.960 > 7 9 Se 0.66666666666667 0.06254044765531 0.37500000000000 78.960 > 7 10 Se 0.00000000000000 0.06254044765531 0.87500000000000 78.960 > 7 11 Se 0.33333333333333 0.06254044765531 0.87500000000000 78.960 > 7 12 Se 0.66666666666667 0.06254044765531 0.87500000000000 78.960 > 7 13 Se 0.00000000000000 0.37987661486352 0.27211559036085 78.960 > 13 14 Se 0.33333333333333 0.37987661486352 0.27211559036085 78.960 > 13 15 Se 0.66666666666667 0.37987661486352 0.27211559036085 78.960 > 13 16 Se 0.00000000000000 0.37987661486352 0.77211559036085 78.960 > 13 17 Se 0.33333333333333 0.37987661486352 0.77211559036085 78.960 > 13 18 Se 0.66666666666667 0.37987661486352 0.77211559036085 78.960 > 13 19 Se 0.00000000000000 0.37987661486352 0.47788440963915 78.960 > 19 20 Se 0.33333333333333 0.37987661486352 0.47788440963915 78.960 > 19 21 Se 0.66666666666667 0.37987661486352 0.47788440963915 78.960 > 19 22 Se 0.00000000000000 0.37987661486352 0.97788440963915 78.960 > 19 23 Se 0.33333333333333 0.37987661486352 0.97788440963915 78.960 > 19 24 Se 0.66666666666667 0.37987661486352 0.97788440963915 78.960 > 19 25 Se 0.16666666666667 0.12012338513648 0.02211559036085 78.960 > 25 26 Se 0.50000000000000 0.12012338513648 0.02211559036085 78.960 > 25 27 Se 0.83333333333333 0.12012338513648 0.02211559036085 78.960 > 25 28 Se 0.16666666666667 0.12012338513648 0.52211559036085 78.960 > 25 29 Se 0.50000000000000 0.12012338513648 0.52211559036085 78.960 > 25 30 Se 0.83333333333333 0.12012338513648 0.52211559036085 78.960 > 25 31 Se 0.16666666666667 0.12012338513648 0.22788440963915 78.960 > 31 32 Se 0.50000000000000 0.12012338513648 0.22788440963915 78.960 > 31 33 Se 0.83333333333333 0.12012338513648 0.22788440963915 78.960 > 31 34 Se 0.16666666666667 0.12012338513648 0.72788440963915 78.960 > 31 35 Se 0.50000000000000 0.12012338513648 0.72788440963915 78.960 > 31 36 Se 0.83333333333333 0.12012338513648 0.72788440963915 78.960 > 31 37 Se 0.00000000000000 0.93745955234469 0.12500000000000 78.960 > 1 38 Se 0.33333333333333 0.93745955234469 0.12500000000000 78.960 > 1 39 Se 0.66666666666667 0.93745955234469 0.12500000000000 78.960 > 1 40 Se 0.00000000000000 0.93745955234469 0.62500000000000 78.960 > 1 41 Se 0.33333333333333 0.93745955234469 0.62500000000000 78.960 > 1 42 Se 0.66666666666667 0.93745955234469 0.62500000000000 78.960 > 1 43 Se 0.16666666666667 0.56254044765531 0.37500000000000 78.960 > 7 44 Se 0.50000000000000 0.56254044765531 0.37500000000000 78.960 > 7 45 Se 0.83333333333333 0.56254044765531 0.37500000000000 78.960 > 7 46 Se 0.16666666666667 0.56254044765531 0.87500000000000 78.960 > 7 47 Se 0.50000000000000 0.56254044765531 0.87500000000000 78.960 > 7 48 Se 0.83333333333333 0.56254044765531 0.87500000000000 78.960 > 7 49 Se 0.16666666666667 0.87987661486352 0.27211559036085 78.960 > 13 50 Se 0.50000000000000 0.87987661486352 0.27211559036085 78.960 > 13 51 Se 0.83333333333333 0.87987661486352 0.27211559036085 78.960 > 13 52 Se 0.16666666666667 0.87987661486352 0.77211559036085 78.960 > 13 53 Se 0.50000000000000 0.87987661486352 0.77211559036085 78.960 > 13 54 Se 0.83333333333333 0.87987661486352 0.77211559036085 78.960 > 13 55 Se 0.16666666666667 0.87987661486352 0.47788440963915 78.960 > 19 56 Se 0.50000000000000 0.87987661486352 0.47788440963915 78.960 > 19 57 Se 0.83333333333333 0.87987661486352 0.47788440963915 78.960 > 19 58 Se 0.16666666666667 0.87987661486352 0.97788440963915 78.960 > 19 59 Se 0.50000000000000 0.87987661486352 0.97788440963915 78.960 > 19 60 Se 0.83333333333333 0.87987661486352 0.97788440963915 78.960 > 19 61 Se 0.00000000000000 0.62012338513648 0.02211559036085 78.960 > 25 62 Se 0.33333333333333 0.62012338513648 0.02211559036085 78.960 > 25 63 Se 0.66666666666667 0.62012338513648 0.02211559036085 78.960 > 25 64 Se 0.00000000000000 0.62012338513648 0.52211559036085 78.960 > 25 65 Se 0.33333333333333 0.62012338513648 0.52211559036085 78.960 > 25 66 Se 0.66666666666667 0.62012338513648 0.52211559036085 78.960 > 25 67 Se 0.00000000000000 0.62012338513648 0.22788440963915 78.960 > 31 68 Se 0.33333333333333 0.62012338513648 0.22788440963915 78.960 > 31 69 Se 0.66666666666667 0.62012338513648 0.22788440963915 78.960 > 31 70 Se 0.00000000000000 0.62012338513648 0.72788440963915 78.960 > 31 71 Se 0.33333333333333 0.62012338513648 0.72788440963915 78.960 > 31 72 Se 0.66666666666667 0.62012338513648 0.72788440963915 78.960 > 31 73 Cd 0.00000000000000 0.46018238307326 0.37500000000000 112.411 > 73 74 Cd 0.33333333333333 0.46018238307326 0.37500000000000 112.411 > 73 75 Cd 0.66666666666667 0.46018238307326 0.37500000000000 112.411 > 73 76 Cd 0.00000000000000 0.46018238307326 0.87500000000000 112.411 > 73 77 Cd 0.33333333333333 0.46018238307326 0.87500000000000 112.411 > 73 78 Cd 0.66666666666667 0.46018238307326 0.87500000000000 112.411 > 73 79 Cd 0.16666666666667 0.03981761692674 0.12500000000000 112.411 > 79 80 Cd 0.50000000000000 0.03981761692674 0.12500000000000 112.411 > 79 81 Cd 0.83333333333333 0.03981761692674 0.12500000000000 112.411 > 79 82 Cd 0.16666666666667 0.03981761692674 0.62500000000000 112.411 > 79 83 Cd 0.50000000000000 0.03981761692674 0.62500000000000 112.411 > 79 84 Cd 0.83333333333333 0.03981761692674 0.62500000000000 112.411 > 79 85 Cd 0.16666666666667 0.96018238307326 0.37500000000000 112.411 > 73 86 Cd 0.50000000000000 0.96018238307326 0.37500000000000 112.411 > 73 87 Cd 0.83333333333333 0.96018238307326 0.37500000000000 112.411 > 73 88 Cd 0.16666666666667 0.96018238307326 0.87500000000000 112.411 > 73 89 Cd 0.50000000000000 0.96018238307326 0.87500000000000 112.411 > 73 90 Cd 0.83333333333333 0.96018238307326 0.87500000000000 112.411 > 73 91 Cd 0.00000000000000 0.53981761692674 0.12500000000000 112.411 > 79 92 Cd 0.33333333333333 0.53981761692674 0.12500000000000 112.411 > 79 93 Cd 0.66666666666667 0.53981761692674 0.12500000000000 112.411 > 79 94 Cd 0.00000000000000 0.53981761692674 0.62500000000000 112.411 > 79 95 Cd 0.33333333333333 0.53981761692674 0.62500000000000 112.411 > 79 96 Cd 0.66666666666667 0.53981761692674 0.62500000000000 112.411 > 79 97 Cs 0.00000000000000 0.25472202537794 0.12500000000000 132.905 > 97 98 Cs 0.33333333333333 0.25472202537794 0.12500000000000 132.905 > 97 99 Cs 0.66666666666667 0.25472202537794 0.12500000000000 132.905 > 97 100 Cs 0.00000000000000 0.25472202537794 0.62500000000000 132.905 > 97 101 Cs 0.33333333333333 0.25472202537794 0.62500000000000 132.905 > 97 102 Cs 0.66666666666667 0.25472202537794 0.62500000000000 132.905 > 97 103 Cs 0.16666666666667 0.24527797462206 0.37500000000000 132.905 > 103 104 Cs 0.50000000000000 0.24527797462206 0.37500000000000 132.905 > 103 105 Cs 0.83333333333333 0.24527797462206 0.37500000000000 132.905 > 103 106 Cs 0.16666666666667 0.24527797462206 0.87500000000000 132.905 > 103 107 Cs 0.50000000000000 0.24527797462206 0.87500000000000 132.905 > 103 108 Cs 0.83333333333333 0.24527797462206 0.87500000000000 132.905 > 103 109 Cs 0.16666666666667 0.75472202537794 0.12500000000000 132.905 > 97 110 Cs 0.50000000000000 0.75472202537794 0.12500000000000 132.905 > 97 111 Cs 0.83333333333333 0.75472202537794 0.12500000000000 132.905 > 97 112 Cs 0.16666666666667 0.75472202537794 0.62500000000000 132.905 > 97 113 Cs 0.50000000000000 0.75472202537794 0.62500000000000 132.905 > 97 114 Cs 0.83333333333333 0.75472202537794 0.62500000000000 132.905 > 97 115 Cs 0.00000000000000 0.74527797462206 0.37500000000000 132.905 > 103 116 Cs 0.33333333333333 0.74527797462206 0.37500000000000 132.905 > 103 117 Cs 0.66666666666667 0.74527797462206 0.37500000000000 132.905 > 103 118 Cs 0.00000000000000 0.74527797462206 0.87500000000000 132.905 > 103 119 Cs 0.33333333333333 0.74527797462206 0.87500000000000 132.905 > 103 120 Cs 0.66666666666667 0.74527797462206 0.87500000000000 132.905 > 103 121 Dy 0.00000000000000 0.00000000000000 0.25000000000000 162.500 > 121 122 Dy 0.33333333333333 0.00000000000000 0.25000000000000 162.500 > 121 123 Dy 0.66666666666667 0.00000000000000 0.25000000000000 162.500 > 121 124 Dy 0.00000000000000 0.00000000000000 0.75000000000000 162.500 > 121 125 Dy 0.33333333333333 0.00000000000000 0.75000000000000 162.500 > 121 126 Dy 0.66666666666667 0.00000000000000 0.75000000000000 162.500 > 121 127 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 127 128 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 127 129 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 127 130 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 127 131 Dy 0.33333333333333 0.00000000000000 0.50000000000000 162.500 > 127 132 Dy 0.66666666666667 0.00000000000000 0.50000000000000 162.500 > 127 133 Dy 0.16666666666667 0.50000000000000 0.25000000000000 162.500 > 121 134 Dy 0.50000000000000 0.50000000000000 0.25000000000000 162.500 > 121 135 Dy 0.83333333333333 0.50000000000000 0.25000000000000 162.500 > 121 136 Dy 0.16666666666667 0.50000000000000 0.75000000000000 162.500 > 121 137 Dy 0.50000000000000 0.50000000000000 0.75000000000000 162.500 > 121 138 Dy 0.83333333333333 0.50000000000000 0.75000000000000 162.500 > 121 139 Dy 0.16666666666667 0.50000000000000 0.00000000000000 162.500 > 127 140 Dy 0.50000000000000 0.50000000000000 0.00000000000000 162.500 > 127 141 Dy 0.83333333333333 0.50000000000000 0.00000000000000 162.500 > 127 142 Dy 0.16666666666667 0.50000000000000 0.50000000000000 162.500 > 127 143 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 > 127 144 Dy 0.83333333333333 0.50000000000000 0.50000000000000 162.500 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8245193 0.0000000 0.0000000 0.0000000 4.6616934 0.0000000 0.0000000 0.0000000 6.7149850 -------------------------- Born effective charges -------------------------- 1 Se -2.2133995 0.0000000 0.0000000 0.0000000 -1.2056013 0.0000000 0.0000000 0.0000000 -3.3796780 2 Se -2.2133995 0.0000000 0.0000000 0.0000000 -1.2056013 0.0000000 0.0000000 0.0000000 -3.3796780 3 Se -2.8810723 0.0000000 0.0000000 0.0000000 -1.6494654 0.0570373 0.0000000 0.1617808 -2.1786205 4 Se -2.8810723 0.0000000 0.0000000 0.0000000 -1.6494654 -0.0570373 0.0000000 -0.1617808 -2.1786205 5 Se -2.8810723 0.0000000 0.0000000 0.0000000 -1.6494654 -0.0570373 0.0000000 -0.1617808 -2.1786205 6 Se -2.8810723 0.0000000 0.0000000 0.0000000 -1.6494654 0.0570373 0.0000000 0.1617808 -2.1786205 7 Cd 1.8710645 0.0000000 0.0000000 0.0000000 0.8379730 0.0000000 0.0000000 0.0000000 1.9349775 8 Cd 1.8710645 0.0000000 0.0000000 0.0000000 0.8379730 0.0000000 0.0000000 0.0000000 1.9349775 9 Cs 1.1774779 0.0000000 0.0000000 0.0000000 1.9392601 0.0000000 0.0000000 0.0000000 1.3464870 10 Cs 1.1774779 0.0000000 0.0000000 0.0000000 1.9392601 0.0000000 0.0000000 0.0000000 1.3464870 11 Dy 4.9270018 0.0000000 0.0000000 0.0000000 1.7272990 -0.2304757 0.0000000 -0.2947252 4.4554545 12 Dy 4.9270018 0.0000000 0.0000000 0.0000000 1.7272990 0.2304757 0.0000000 0.2947252 4.4554545 ---------------------------------------------------------------------------- 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:52:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:52:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.108068139999999 -7.912198165000000 0.000000000000000 b 2.108068139999999 7.912198165000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.950226819999999 Atomic positions (fractional): 1 Se 0.06254044765531 0.93745955234469 0.25000000000000 78.960 2 Se 0.93745955234469 0.06254044765531 0.75000000000000 78.960 3 Se 0.62012338513648 0.37987661486352 0.54423118072171 78.960 4 Se 0.62012338513648 0.37987661486352 0.95576881927829 78.960 5 Se 0.37987661486352 0.62012338513648 0.04423118072171 78.960 6 Se 0.37987661486352 0.62012338513648 0.45576881927829 78.960 7 Cd 0.53981761692674 0.46018238307326 0.75000000000000 112.411 8 Cd 0.46018238307326 0.53981761692674 0.25000000000000 112.411 9 Cs 0.74527797462206 0.25472202537794 0.25000000000000 132.905 10 Cs 0.25472202537794 0.74527797462206 0.75000000000000 132.905 11 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 12 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.648408839999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.824396330000001 0.000000000000000 c 0.000000000000000 0.000000000000000 21.900453639999999 Atomic positions (fractional): 1 Se 0.16666666666667 0.43745955234469 0.12500000000000 78.960 > 1 2 Se 0.50000000000000 0.43745955234469 0.12500000000000 78.960 > 1 3 Se 0.83333333333333 0.43745955234469 0.12500000000000 78.960 > 1 4 Se 0.16666666666667 0.43745955234469 0.62500000000000 78.960 > 1 5 Se 0.50000000000000 0.43745955234469 0.62500000000000 78.960 > 1 6 Se 0.83333333333333 0.43745955234469 0.62500000000000 78.960 > 1 7 Se 0.00000000000000 0.06254044765531 0.37500000000000 78.960 > 7 8 Se 0.33333333333333 0.06254044765531 0.37500000000000 78.960 > 7 9 Se 0.66666666666667 0.06254044765531 0.37500000000000 78.960 > 7 10 Se 0.00000000000000 0.06254044765531 0.87500000000000 78.960 > 7 11 Se 0.33333333333333 0.06254044765531 0.87500000000000 78.960 > 7 12 Se 0.66666666666667 0.06254044765531 0.87500000000000 78.960 > 7 13 Se 0.00000000000000 0.37987661486352 0.27211559036085 78.960 > 13 14 Se 0.33333333333333 0.37987661486352 0.27211559036085 78.960 > 13 15 Se 0.66666666666667 0.37987661486352 0.27211559036085 78.960 > 13 16 Se 0.00000000000000 0.37987661486352 0.77211559036085 78.960 > 13 17 Se 0.33333333333333 0.37987661486352 0.77211559036085 78.960 > 13 18 Se 0.66666666666667 0.37987661486352 0.77211559036085 78.960 > 13 19 Se 0.00000000000000 0.37987661486352 0.47788440963915 78.960 > 19 20 Se 0.33333333333333 0.37987661486352 0.47788440963915 78.960 > 19 21 Se 0.66666666666667 0.37987661486352 0.47788440963915 78.960 > 19 22 Se 0.00000000000000 0.37987661486352 0.97788440963915 78.960 > 19 23 Se 0.33333333333333 0.37987661486352 0.97788440963915 78.960 > 19 24 Se 0.66666666666667 0.37987661486352 0.97788440963915 78.960 > 19 25 Se 0.16666666666667 0.12012338513648 0.02211559036085 78.960 > 25 26 Se 0.50000000000000 0.12012338513648 0.02211559036085 78.960 > 25 27 Se 0.83333333333333 0.12012338513648 0.02211559036085 78.960 > 25 28 Se 0.16666666666667 0.12012338513648 0.52211559036085 78.960 > 25 29 Se 0.50000000000000 0.12012338513648 0.52211559036085 78.960 > 25 30 Se 0.83333333333333 0.12012338513648 0.52211559036085 78.960 > 25 31 Se 0.16666666666667 0.12012338513648 0.22788440963915 78.960 > 31 32 Se 0.50000000000000 0.12012338513648 0.22788440963915 78.960 > 31 33 Se 0.83333333333333 0.12012338513648 0.22788440963915 78.960 > 31 34 Se 0.16666666666667 0.12012338513648 0.72788440963915 78.960 > 31 35 Se 0.50000000000000 0.12012338513648 0.72788440963915 78.960 > 31 36 Se 0.83333333333333 0.12012338513648 0.72788440963915 78.960 > 31 37 Se 0.00000000000000 0.93745955234469 0.12500000000000 78.960 > 1 38 Se 0.33333333333333 0.93745955234469 0.12500000000000 78.960 > 1 39 Se 0.66666666666667 0.93745955234469 0.12500000000000 78.960 > 1 40 Se 0.00000000000000 0.93745955234469 0.62500000000000 78.960 > 1 41 Se 0.33333333333333 0.93745955234469 0.62500000000000 78.960 > 1 42 Se 0.66666666666667 0.93745955234469 0.62500000000000 78.960 > 1 43 Se 0.16666666666667 0.56254044765531 0.37500000000000 78.960 > 7 44 Se 0.50000000000000 0.56254044765531 0.37500000000000 78.960 > 7 45 Se 0.83333333333333 0.56254044765531 0.37500000000000 78.960 > 7 46 Se 0.16666666666667 0.56254044765531 0.87500000000000 78.960 > 7 47 Se 0.50000000000000 0.56254044765531 0.87500000000000 78.960 > 7 48 Se 0.83333333333333 0.56254044765531 0.87500000000000 78.960 > 7 49 Se 0.16666666666667 0.87987661486352 0.27211559036085 78.960 > 13 50 Se 0.50000000000000 0.87987661486352 0.27211559036085 78.960 > 13 51 Se 0.83333333333333 0.87987661486352 0.27211559036085 78.960 > 13 52 Se 0.16666666666667 0.87987661486352 0.77211559036085 78.960 > 13 53 Se 0.50000000000000 0.87987661486352 0.77211559036085 78.960 > 13 54 Se 0.83333333333333 0.87987661486352 0.77211559036085 78.960 > 13 55 Se 0.16666666666667 0.87987661486352 0.47788440963915 78.960 > 19 56 Se 0.50000000000000 0.87987661486352 0.47788440963915 78.960 > 19 57 Se 0.83333333333333 0.87987661486352 0.47788440963915 78.960 > 19 58 Se 0.16666666666667 0.87987661486352 0.97788440963915 78.960 > 19 59 Se 0.50000000000000 0.87987661486352 0.97788440963915 78.960 > 19 60 Se 0.83333333333333 0.87987661486352 0.97788440963915 78.960 > 19 61 Se 0.00000000000000 0.62012338513648 0.02211559036085 78.960 > 25 62 Se 0.33333333333333 0.62012338513648 0.02211559036085 78.960 > 25 63 Se 0.66666666666667 0.62012338513648 0.02211559036085 78.960 > 25 64 Se 0.00000000000000 0.62012338513648 0.52211559036085 78.960 > 25 65 Se 0.33333333333333 0.62012338513648 0.52211559036085 78.960 > 25 66 Se 0.66666666666667 0.62012338513648 0.52211559036085 78.960 > 25 67 Se 0.00000000000000 0.62012338513648 0.22788440963915 78.960 > 31 68 Se 0.33333333333333 0.62012338513648 0.22788440963915 78.960 > 31 69 Se 0.66666666666667 0.62012338513648 0.22788440963915 78.960 > 31 70 Se 0.00000000000000 0.62012338513648 0.72788440963915 78.960 > 31 71 Se 0.33333333333333 0.62012338513648 0.72788440963915 78.960 > 31 72 Se 0.66666666666667 0.62012338513648 0.72788440963915 78.960 > 31 73 Cd 0.00000000000000 0.46018238307326 0.37500000000000 112.411 > 73 74 Cd 0.33333333333333 0.46018238307326 0.37500000000000 112.411 > 73 75 Cd 0.66666666666667 0.46018238307326 0.37500000000000 112.411 > 73 76 Cd 0.00000000000000 0.46018238307326 0.87500000000000 112.411 > 73 77 Cd 0.33333333333333 0.46018238307326 0.87500000000000 112.411 > 73 78 Cd 0.66666666666667 0.46018238307326 0.87500000000000 112.411 > 73 79 Cd 0.16666666666667 0.03981761692674 0.12500000000000 112.411 > 79 80 Cd 0.50000000000000 0.03981761692674 0.12500000000000 112.411 > 79 81 Cd 0.83333333333333 0.03981761692674 0.12500000000000 112.411 > 79 82 Cd 0.16666666666667 0.03981761692674 0.62500000000000 112.411 > 79 83 Cd 0.50000000000000 0.03981761692674 0.62500000000000 112.411 > 79 84 Cd 0.83333333333333 0.03981761692674 0.62500000000000 112.411 > 79 85 Cd 0.16666666666667 0.96018238307326 0.37500000000000 112.411 > 73 86 Cd 0.50000000000000 0.96018238307326 0.37500000000000 112.411 > 73 87 Cd 0.83333333333333 0.96018238307326 0.37500000000000 112.411 > 73 88 Cd 0.16666666666667 0.96018238307326 0.87500000000000 112.411 > 73 89 Cd 0.50000000000000 0.96018238307326 0.87500000000000 112.411 > 73 90 Cd 0.83333333333333 0.96018238307326 0.87500000000000 112.411 > 73 91 Cd 0.00000000000000 0.53981761692674 0.12500000000000 112.411 > 79 92 Cd 0.33333333333333 0.53981761692674 0.12500000000000 112.411 > 79 93 Cd 0.66666666666667 0.53981761692674 0.12500000000000 112.411 > 79 94 Cd 0.00000000000000 0.53981761692674 0.62500000000000 112.411 > 79 95 Cd 0.33333333333333 0.53981761692674 0.62500000000000 112.411 > 79 96 Cd 0.66666666666667 0.53981761692674 0.62500000000000 112.411 > 79 97 Cs 0.00000000000000 0.25472202537794 0.12500000000000 132.905 > 97 98 Cs 0.33333333333333 0.25472202537794 0.12500000000000 132.905 > 97 99 Cs 0.66666666666667 0.25472202537794 0.12500000000000 132.905 > 97 100 Cs 0.00000000000000 0.25472202537794 0.62500000000000 132.905 > 97 101 Cs 0.33333333333333 0.25472202537794 0.62500000000000 132.905 > 97 102 Cs 0.66666666666667 0.25472202537794 0.62500000000000 132.905 > 97 103 Cs 0.16666666666667 0.24527797462206 0.37500000000000 132.905 > 103 104 Cs 0.50000000000000 0.24527797462206 0.37500000000000 132.905 > 103 105 Cs 0.83333333333333 0.24527797462206 0.37500000000000 132.905 > 103 106 Cs 0.16666666666667 0.24527797462206 0.87500000000000 132.905 > 103 107 Cs 0.50000000000000 0.24527797462206 0.87500000000000 132.905 > 103 108 Cs 0.83333333333333 0.24527797462206 0.87500000000000 132.905 > 103 109 Cs 0.16666666666667 0.75472202537794 0.12500000000000 132.905 > 97 110 Cs 0.50000000000000 0.75472202537794 0.12500000000000 132.905 > 97 111 Cs 0.83333333333333 0.75472202537794 0.12500000000000 132.905 > 97 112 Cs 0.16666666666667 0.75472202537794 0.62500000000000 132.905 > 97 113 Cs 0.50000000000000 0.75472202537794 0.62500000000000 132.905 > 97 114 Cs 0.83333333333333 0.75472202537794 0.62500000000000 132.905 > 97 115 Cs 0.00000000000000 0.74527797462206 0.37500000000000 132.905 > 103 116 Cs 0.33333333333333 0.74527797462206 0.37500000000000 132.905 > 103 117 Cs 0.66666666666667 0.74527797462206 0.37500000000000 132.905 > 103 118 Cs 0.00000000000000 0.74527797462206 0.87500000000000 132.905 > 103 119 Cs 0.33333333333333 0.74527797462206 0.87500000000000 132.905 > 103 120 Cs 0.66666666666667 0.74527797462206 0.87500000000000 132.905 > 103 121 Dy 0.00000000000000 0.00000000000000 0.25000000000000 162.500 > 121 122 Dy 0.33333333333333 0.00000000000000 0.25000000000000 162.500 > 121 123 Dy 0.66666666666667 0.00000000000000 0.25000000000000 162.500 > 121 124 Dy 0.00000000000000 0.00000000000000 0.75000000000000 162.500 > 121 125 Dy 0.33333333333333 0.00000000000000 0.75000000000000 162.500 > 121 126 Dy 0.66666666666667 0.00000000000000 0.75000000000000 162.500 > 121 127 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 127 128 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 127 129 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 127 130 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 127 131 Dy 0.33333333333333 0.00000000000000 0.50000000000000 162.500 > 127 132 Dy 0.66666666666667 0.00000000000000 0.50000000000000 162.500 > 127 133 Dy 0.16666666666667 0.50000000000000 0.25000000000000 162.500 > 121 134 Dy 0.50000000000000 0.50000000000000 0.25000000000000 162.500 > 121 135 Dy 0.83333333333333 0.50000000000000 0.25000000000000 162.500 > 121 136 Dy 0.16666666666667 0.50000000000000 0.75000000000000 162.500 > 121 137 Dy 0.50000000000000 0.50000000000000 0.75000000000000 162.500 > 121 138 Dy 0.83333333333333 0.50000000000000 0.75000000000000 162.500 > 121 139 Dy 0.16666666666667 0.50000000000000 0.00000000000000 162.500 > 127 140 Dy 0.50000000000000 0.50000000000000 0.00000000000000 162.500 > 127 141 Dy 0.83333333333333 0.50000000000000 0.00000000000000 162.500 > 127 142 Dy 0.16666666666667 0.50000000000000 0.50000000000000 162.500 > 127 143 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 > 127 144 Dy 0.83333333333333 0.50000000000000 0.50000000000000 162.500 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8245193 0.0000000 0.0000000 0.0000000 4.6616934 0.0000000 0.0000000 0.0000000 6.7149850 -------------------------- Born effective charges -------------------------- 1 Se -2.2133995 0.0000000 0.0000000 0.0000000 -1.2056013 0.0000000 0.0000000 0.0000000 -3.3796780 2 Se -2.2133995 0.0000000 0.0000000 0.0000000 -1.2056013 0.0000000 0.0000000 0.0000000 -3.3796780 3 Se -2.8810723 0.0000000 0.0000000 0.0000000 -1.6494654 0.0570373 0.0000000 0.1617808 -2.1786205 4 Se -2.8810723 0.0000000 0.0000000 0.0000000 -1.6494654 -0.0570373 0.0000000 -0.1617808 -2.1786205 5 Se -2.8810723 0.0000000 0.0000000 0.0000000 -1.6494654 -0.0570373 0.0000000 -0.1617808 -2.1786205 6 Se -2.8810723 0.0000000 0.0000000 0.0000000 -1.6494654 0.0570373 0.0000000 0.1617808 -2.1786205 7 Cd 1.8710645 0.0000000 0.0000000 0.0000000 0.8379730 0.0000000 0.0000000 0.0000000 1.9349775 8 Cd 1.8710645 0.0000000 0.0000000 0.0000000 0.8379730 0.0000000 0.0000000 0.0000000 1.9349775 9 Cs 1.1774779 0.0000000 0.0000000 0.0000000 1.9392601 0.0000000 0.0000000 0.0000000 1.3464870 10 Cs 1.1774779 0.0000000 0.0000000 0.0000000 1.9392601 0.0000000 0.0000000 0.0000000 1.3464870 11 Dy 4.9270018 0.0000000 0.0000000 0.0000000 1.7272990 -0.2304757 0.0000000 -0.2947252 4.4554545 12 Dy 4.9270018 0.0000000 0.0000000 0.0000000 1.7272990 0.2304757 0.0000000 0.2947252 4.4554545 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 12 12 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 129 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 0.944 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.219 ( 0.000 0.000 0.000) 0.000 1.326 ( 0.000 0.000 0.000) 0.000 1.432 ( 0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 0.000) 0.000 1.503 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 1.925 ( 0.000 0.000 0.000) 0.000 2.067 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.456 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.879 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.603 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.061 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.983 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 6.284 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 16.071 -0.214 0.000) 16.072 0.373 ( 17.746 -1.559 0.000) 17.815 0.612 ( 28.047 -6.090 0.000) 28.700 0.981 ( 3.582 0.339 0.000) 3.598 1.236 ( 4.021 0.906 0.000) 4.121 1.255 ( -3.968 2.287 0.000) 4.580 1.285 ( 5.790 -2.412 0.000) 6.272 1.516 ( 1.249 -0.707 0.000) 1.435 1.544 ( 4.574 0.965 0.000) 4.675 1.564 ( 9.919 -0.086 0.000) 9.919 1.781 ( -1.422 -0.362 0.000) 1.468 1.944 ( 1.174 1.591 0.000) 1.977 2.026 ( -2.666 -0.247 0.000) 2.677 2.159 ( -0.310 0.197 0.000) 0.367 2.167 ( 0.651 -0.052 0.000) 0.653 2.178 ( 6.008 -0.908 0.000) 6.077 2.617 ( -0.991 0.172 0.000) 1.006 3.036 ( -1.439 -0.258 0.000) 1.462 3.373 ( 7.748 -0.072 0.000) 7.748 3.440 ( 2.191 -0.032 0.000) 2.192 3.510 ( 4.971 -0.024 0.000) 4.971 3.665 ( -0.597 0.078 0.000) 0.602 3.880 ( 0.168 0.060 0.000) 0.178 4.156 ( -3.698 -0.328 0.000) 3.712 4.199 ( -2.591 -0.108 0.000) 2.593 4.446 ( 1.055 17.125 0.000) 17.157 4.579 ( -4.920 -6.884 0.000) 8.461 4.826 ( -0.601 0.161 0.000) 0.622 4.917 ( -0.109 -0.470 0.000) 0.482 4.962 ( 0.839 -0.268 0.000) 0.881 5.090 ( 4.727 0.017 0.000) 4.727 5.422 ( -2.032 0.233 0.000) 2.045 5.628 ( 5.655 20.480 0.000) 21.247 5.987 ( -6.946 -12.070 0.000) 13.927 6.249 ( 0.119 1.794 0.000) 1.798 6.274 ( -1.188 -1.771 0.000) 2.132 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 16.004 1.890 0.000) 16.115 0.693 ( 12.769 -1.797 0.000) 12.895 1.079 ( 6.933 1.136 0.000) 7.025 1.124 ( 18.536 -4.661 0.000) 19.113 1.169 ( -3.174 2.363 0.000) 3.957 1.367 ( 11.052 2.237 0.000) 11.276 1.451 ( 8.864 -4.683 0.000) 10.025 1.556 ( 2.485 -0.716 0.000) 2.586 1.638 ( 5.193 3.114 0.000) 6.055 1.751 ( 6.930 -0.045 0.000) 6.931 1.759 ( -0.842 0.568 0.000) 1.015 1.911 ( -2.046 4.639 0.000) 5.071 1.986 ( -2.225 -2.488 0.000) 3.337 2.157 ( 1.062 -1.462 0.000) 1.807 2.240 ( 8.159 0.107 0.000) 8.160 2.358 ( 10.503 -0.241 0.000) 10.506 2.587 ( -1.963 0.205 0.000) 1.973 3.019 ( -0.246 -0.573 0.000) 0.624 3.492 ( 2.522 -0.178 0.000) 2.529 3.546 ( 8.362 -0.144 0.000) 8.364 3.627 ( 6.152 -0.362 0.000) 6.163 3.645 ( -1.309 0.033 0.000) 1.310 3.889 ( 0.972 0.209 0.000) 0.994 4.061 ( -5.720 -0.432 0.000) 5.737 4.139 ( -3.110 -0.077 0.000) 3.111 4.281 ( -11.262 1.985 0.000) 11.436 4.573 ( 2.157 2.982 0.000) 3.680 4.814 ( -0.420 0.246 0.000) 0.487 4.926 ( 1.013 -0.138 0.000) 1.022 4.987 ( 1.467 -0.130 0.000) 1.473 5.186 ( 4.490 0.130 0.000) 4.492 5.366 ( -3.305 0.203 0.000) 3.311 5.630 ( 2.515 9.676 0.000) 9.997 5.887 ( -7.428 -5.094 0.000) 9.007 6.224 ( -1.872 0.517 0.000) 1.942 6.271 ( 0.232 -0.381 0.000) 0.446 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 3.769 -0.708 0.000) 3.835 0.923 ( 14.660 4.265 0.000) 15.268 1.092 ( -2.681 1.644 0.000) 3.145 1.274 ( 11.462 0.022 0.000) 11.462 1.373 ( 8.750 1.829 0.000) 8.939 1.576 ( 6.989 -2.233 0.000) 7.337 1.621 ( 3.981 0.055 0.000) 3.982 1.644 ( 2.018 3.099 0.000) 3.698 1.669 ( 1.456 4.405 0.000) 4.639 1.752 ( 2.928 0.997 0.000) 3.093 1.814 ( 0.267 -0.608 0.000) 0.664 1.884 ( 0.756 -0.856 0.000) 1.142 2.021 ( 6.656 -6.292 0.000) 9.160 2.211 ( 3.036 -2.314 0.000) 3.817 2.489 ( 15.668 0.387 0.000) 15.672 2.536 ( -3.108 0.042 0.000) 3.108 2.566 ( 9.687 -0.406 0.000) 9.695 3.032 ( 0.994 -0.670 0.000) 1.198 3.506 ( -2.395 -0.455 0.000) 2.438 3.631 ( 0.705 0.057 0.000) 0.707 3.672 ( 4.070 -0.202 0.000) 4.075 3.737 ( 4.429 -0.279 0.000) 4.438 3.921 ( 2.299 0.343 0.000) 2.324 3.956 ( -4.513 -0.217 0.000) 4.518 4.021 ( -13.727 -0.519 0.000) 13.736 4.096 ( -0.939 -0.089 0.000) 0.943 4.603 ( 2.151 3.196 0.000) 3.853 4.810 ( 0.143 0.215 0.000) 0.258 4.965 ( 3.077 0.164 0.000) 3.081 5.013 ( 0.941 0.127 0.000) 0.949 5.254 ( 2.244 0.197 0.000) 2.252 5.300 ( -2.954 0.050 0.000) 2.954 5.622 ( 0.576 5.558 0.000) 5.587 5.760 ( -7.055 -2.191 0.000) 7.388 6.180 ( -2.365 -0.382 0.000) 2.396 6.280 ( 0.691 0.667 0.000) 0.960 ======================= Grid point 4 (5/129) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.446 0.363 0.000) 0.575 1.033 ( -2.906 0.030 0.000) 2.906 1.155 ( 11.022 6.213 0.000) 12.653 1.453 ( -1.132 8.358 0.000) 8.434 1.476 ( 7.245 -0.233 0.000) 7.249 1.549 ( -0.176 5.248 0.000) 5.251 1.657 ( 1.847 4.262 0.000) 4.645 1.723 ( 3.757 -2.313 0.000) 4.412 1.728 ( 7.537 0.334 0.000) 7.544 1.803 ( -1.174 -0.864 0.000) 1.458 1.816 ( 1.665 -5.093 0.000) 5.358 1.907 ( -0.772 -5.966 0.000) 6.016 2.269 ( 11.504 -3.870 0.000) 12.138 2.288 ( 3.477 -1.818 0.000) 3.924 2.457 ( -4.984 -0.156 0.000) 4.987 2.729 ( 6.442 -0.639 0.000) 6.473 2.798 ( 14.402 0.333 0.000) 14.406 3.054 ( 0.774 -0.362 0.000) 0.854 3.420 ( -5.288 -0.440 0.000) 5.307 3.659 ( 1.483 0.072 0.000) 1.485 3.728 ( 2.376 0.005 0.000) 2.376 3.759 ( -10.375 -1.198 0.000) 10.444 3.807 ( 0.599 0.503 0.000) 0.782 3.893 ( -1.928 0.011 0.000) 1.928 3.962 ( 1.371 0.214 0.000) 1.387 4.122 ( 3.661 -0.010 0.000) 3.661 4.609 ( -0.612 1.855 0.000) 1.954 4.813 ( 0.075 0.102 0.000) 0.127 5.025 ( 1.090 0.258 0.000) 1.120 5.050 ( 5.344 0.174 0.000) 5.347 5.248 ( -1.935 0.194 0.000) 1.945 5.279 ( 0.043 -0.085 0.000) 0.095 5.580 ( -3.772 1.380 0.000) 4.016 5.651 ( -3.409 1.222 0.000) 3.622 6.140 ( -1.921 -0.510 0.000) 1.988 6.289 ( 0.528 0.841 0.000) 0.993 ======================= Grid point 5 (6/129) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.424 0.590 0.000) 0.726 0.978 ( -2.672 -0.649 0.000) 2.750 1.242 ( -0.194 6.081 0.000) 6.084 1.389 ( 2.563 4.876 0.000) 5.509 1.506 ( -1.549 4.465 0.000) 4.726 1.552 ( 1.422 0.106 0.000) 1.426 1.728 ( 3.950 1.515 0.000) 4.231 1.764 ( 1.113 -0.402 0.000) 1.183 1.783 ( -0.842 -0.590 0.000) 1.028 1.879 ( 1.571 -3.747 0.000) 4.063 1.910 ( 9.529 0.010 0.000) 9.529 1.915 ( -1.406 -6.057 0.000) 6.218 2.342 ( -6.503 -0.235 0.000) 6.507 2.345 ( 1.749 -0.806 0.000) 1.926 2.456 ( 5.446 -1.594 0.000) 5.674 2.828 ( 3.196 -0.600 0.000) 3.252 3.020 ( 7.714 0.158 0.000) 7.716 3.062 ( -0.008 -0.012 0.000) 0.014 3.334 ( -3.194 -0.194 0.000) 3.200 3.587 ( -6.250 -0.975 0.000) 6.325 3.678 ( 0.526 0.096 0.000) 0.534 3.788 ( 3.780 0.157 0.000) 3.784 3.824 ( 0.586 0.693 0.000) 0.907 3.872 ( -0.425 0.007 0.000) 0.425 3.963 ( -1.242 0.057 0.000) 1.244 4.235 ( 7.340 0.033 0.000) 7.340 4.546 ( -5.043 0.535 0.000) 5.071 4.810 ( -0.272 0.010 0.000) 0.272 5.062 ( 2.751 0.177 0.000) 2.757 5.175 ( 6.835 0.089 0.000) 6.836 5.208 ( -2.042 0.089 0.000) 2.044 5.271 ( -0.604 -0.129 0.000) 0.618 5.464 ( -6.798 0.010 0.000) 6.798 5.608 ( -0.840 1.624 0.000) 1.829 6.112 ( -1.043 -0.323 0.000) 1.092 6.292 ( 0.209 0.541 0.000) 0.580 ======================= Grid point 6 (7/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.000 -0.000 0.000) 0.000 0.948 ( 0.000 -0.000 0.000) 0.000 1.202 ( 0.000 -0.000 0.000) 0.000 1.430 ( -0.000 -0.000 0.000) 0.000 1.465 ( 0.000 -0.000 0.000) 0.000 1.562 ( 0.000 -0.000 0.000) 0.000 1.745 ( -0.000 -0.000 0.000) 0.000 1.776 ( 0.000 -0.000 0.000) 0.000 1.799 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 -0.000 0.000) 0.000 1.923 ( 0.000 -0.000 0.000) 0.000 2.037 ( 0.000 -0.000 0.000) 0.000 2.248 ( 0.000 -0.000 0.000) 0.000 2.364 ( 0.000 -0.000 0.000) 0.000 2.511 ( 0.000 -0.000 0.000) 0.000 2.861 ( 0.000 -0.000 0.000) 0.000 3.061 ( 0.000 -0.000 0.000) 0.000 3.095 ( 0.000 -0.000 0.000) 0.000 3.303 ( 0.000 -0.000 0.000) 0.000 3.528 ( 0.000 -0.000 0.000) 0.000 3.682 ( 0.000 -0.000 0.000) 0.000 3.827 ( 0.000 -0.000 0.000) 0.000 3.846 ( 0.000 -0.000 0.000) 0.000 3.868 ( 0.000 -0.000 0.000) 0.000 3.933 ( 0.000 -0.000 0.000) 0.000 4.360 ( -0.000 -0.000 0.000) 0.000 4.445 ( 0.000 -0.000 0.000) 0.000 4.806 ( 0.000 -0.000 0.000) 0.000 5.105 ( 0.000 -0.000 0.000) 0.000 5.169 ( 0.000 -0.000 0.000) 0.000 5.264 ( 0.000 -0.000 0.000) 0.000 5.315 ( -0.000 -0.000 0.000) 0.000 5.329 ( 0.000 -0.000 0.000) 0.000 5.595 ( 0.000 -0.000 0.000) 0.000 6.103 ( 0.000 -0.000 0.000) 0.000 6.293 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/129) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 16.524 -0.000 0.000) 16.524 0.684 ( 13.050 -0.000 0.000) 13.050 1.085 ( 7.152 -0.000 0.000) 7.152 1.097 ( 20.167 -0.000 0.000) 20.167 1.182 ( -3.944 0.000 0.000) 3.944 1.392 ( 12.005 -0.000 0.000) 12.005 1.414 ( 7.516 -0.000 0.000) 7.516 1.552 ( 2.756 -0.000 0.000) 2.756 1.656 ( 6.159 -0.000 0.000) 6.159 1.750 ( 6.796 -0.000 0.000) 6.796 1.762 ( -0.602 0.000 0.000) 0.602 1.954 ( -3.921 0.000 0.000) 3.921 1.955 ( -1.539 0.000 0.000) 1.539 2.148 ( 0.645 -0.000 0.000) 0.645 2.240 ( 8.237 -0.000 0.000) 8.237 2.357 ( 10.500 -0.000 0.000) 10.500 2.588 ( -2.006 0.000 0.000) 2.006 3.016 ( -0.247 0.000 0.000) 0.247 3.491 ( 2.483 -0.000 0.000) 2.483 3.545 ( 8.362 -0.000 0.000) 8.362 3.625 ( 6.123 -0.000 0.000) 6.123 3.645 ( -1.340 0.000 0.000) 1.340 3.890 ( 1.000 -0.000 0.000) 1.000 4.058 ( -5.649 0.000 0.000) 5.649 4.138 ( -3.067 0.000 0.000) 3.067 4.291 ( -12.947 0.000 0.000) 12.947 4.589 ( 2.368 -0.000 0.000) 2.368 4.815 ( -0.442 0.000 0.000) 0.442 4.925 ( 1.118 -0.000 0.000) 1.118 4.987 ( 1.565 -0.000 0.000) 1.565 5.187 ( 4.501 -0.000 0.000) 4.501 5.367 ( -3.361 0.000 0.000) 3.361 5.694 ( -0.070 0.000 0.000) 0.070 5.849 ( -5.923 0.000 0.000) 5.923 6.227 ( -2.439 0.000 0.000) 2.439 6.269 ( 0.825 -0.000 0.000) 0.825 ======================= Grid point 15 (9/129) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 4.414 -0.255 0.000) 4.421 0.958 ( 15.240 1.956 0.000) 15.365 1.104 ( -3.630 0.623 0.000) 3.683 1.273 ( 11.279 -0.020 0.000) 11.279 1.383 ( 10.750 0.322 0.000) 10.755 1.557 ( 6.589 -0.912 0.000) 6.652 1.621 ( 4.252 0.032 0.000) 4.252 1.643 ( 7.804 -0.850 0.000) 7.850 1.732 ( -0.614 5.210 0.000) 5.246 1.764 ( 0.870 -0.083 0.000) 0.874 1.810 ( 0.143 -0.231 0.000) 0.272 1.882 ( -3.566 0.655 0.000) 3.626 1.961 ( 7.669 -4.241 0.000) 8.764 2.193 ( 3.310 -0.968 0.000) 3.449 2.492 ( 15.736 0.145 0.000) 15.737 2.537 ( -3.258 0.012 0.000) 3.258 2.563 ( 9.646 -0.153 0.000) 9.648 3.027 ( 1.102 -0.245 0.000) 1.129 3.502 ( -2.427 -0.168 0.000) 2.433 3.631 ( 0.688 0.023 0.000) 0.689 3.670 ( 4.145 -0.075 0.000) 4.146 3.735 ( 4.622 -0.103 0.000) 4.623 3.924 ( 2.296 0.134 0.000) 2.300 3.954 ( -4.411 -0.088 0.000) 4.412 4.018 ( -14.141 -0.148 0.000) 14.142 4.096 ( -0.826 -0.036 0.000) 0.826 4.626 ( 1.484 1.102 0.000) 1.849 4.812 ( 0.090 0.079 0.000) 0.120 4.966 ( 3.158 0.062 0.000) 3.159 5.014 ( 0.975 0.051 0.000) 0.977 5.255 ( 2.270 0.077 0.000) 2.271 5.301 ( -3.056 0.005 0.000) 3.056 5.675 ( -0.890 4.012 0.000) 4.109 5.732 ( -6.251 -2.724 0.000) 6.819 6.178 ( -2.459 -0.127 0.000) 2.463 6.285 ( 0.801 0.232 0.000) 0.834 ======================= Grid point 16 (10/129) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.645 0.210 0.000) 0.678 1.033 ( -3.395 0.014 0.000) 3.395 1.211 ( 11.271 4.123 0.000) 12.002 1.474 ( 7.389 -0.129 0.000) 7.390 1.529 ( 1.637 5.587 0.000) 5.822 1.603 ( -0.686 4.825 0.000) 4.874 1.698 ( 3.110 -2.296 0.000) 3.866 1.704 ( -0.215 4.578 0.000) 4.583 1.731 ( 7.466 0.247 0.000) 7.470 1.769 ( 1.483 -3.381 0.000) 3.692 1.796 ( -1.185 -0.556 0.000) 1.309 1.837 ( -2.289 -7.089 0.000) 7.449 2.235 ( 13.188 -2.437 0.000) 13.412 2.272 ( 3.767 -1.079 0.000) 3.919 2.455 ( -5.055 -0.089 0.000) 5.056 2.724 ( 6.409 -0.364 0.000) 6.420 2.800 ( 14.322 0.191 0.000) 14.323 3.051 ( 0.984 -0.206 0.000) 1.005 3.417 ( -5.176 -0.254 0.000) 5.182 3.660 ( 1.499 0.041 0.000) 1.499 3.728 ( 2.476 0.003 0.000) 2.476 3.749 ( -10.574 -0.693 0.000) 10.597 3.811 ( 1.042 0.302 0.000) 1.085 3.893 ( -1.900 0.007 0.000) 1.900 3.963 ( 1.291 0.123 0.000) 1.297 4.122 ( 3.674 -0.008 0.000) 3.674 4.625 ( -1.383 1.039 0.000) 1.730 4.814 ( 0.017 0.059 0.000) 0.062 5.027 ( 0.972 0.164 0.000) 0.986 5.052 ( 5.411 0.089 0.000) 5.412 5.250 ( -2.012 0.154 0.000) 2.018 5.278 ( 0.042 -0.107 0.000) 0.116 5.591 ( -5.749 0.696 0.000) 5.791 5.662 ( -1.933 0.832 0.000) 2.105 6.135 ( -1.855 -0.269 0.000) 1.875 6.296 ( 0.425 0.461 0.000) 0.627 ======================= Grid point 17 (11/129) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.522 0.519 0.000) 0.736 0.971 ( -2.859 -0.559 0.000) 2.913 1.304 ( -1.144 5.421 0.000) 5.540 1.441 ( -0.875 4.832 0.000) 4.910 1.553 ( 1.427 0.126 0.000) 1.433 1.553 ( -3.115 4.120 0.000) 5.165 1.714 ( 0.240 -2.938 0.000) 2.947 1.772 ( 3.410 0.403 0.000) 3.434 1.778 ( -0.630 -0.433 0.000) 0.764 1.843 ( 1.556 -3.465 0.000) 3.798 1.859 ( 3.339 -3.288 0.000) 4.686 1.911 ( 9.504 0.001 0.000) 9.504 2.338 ( 2.219 -0.621 0.000) 2.304 2.339 ( -6.468 -0.171 0.000) 6.470 2.440 ( 6.262 -1.411 0.000) 6.419 2.823 ( 3.504 -0.307 0.000) 3.517 3.022 ( 7.624 0.116 0.000) 7.625 3.061 ( -0.004 -0.083 0.000) 0.083 3.332 ( -3.077 -0.145 0.000) 3.080 3.577 ( -5.929 -0.734 0.000) 5.974 3.679 ( 0.507 0.069 0.000) 0.512 3.789 ( 3.795 0.122 0.000) 3.797 3.830 ( 0.426 0.527 0.000) 0.677 3.872 ( -0.438 0.004 0.000) 0.438 3.963 ( -1.318 0.038 0.000) 1.318 4.236 ( 7.360 0.021 0.000) 7.360 4.551 ( -5.510 0.381 0.000) 5.523 4.810 ( -0.296 0.008 0.000) 0.296 5.063 ( 2.692 0.129 0.000) 2.695 5.176 ( 6.870 0.097 0.000) 6.871 5.208 ( -2.216 0.054 0.000) 2.217 5.270 ( -0.596 -0.130 0.000) 0.610 5.465 ( -6.765 0.053 0.000) 6.765 5.623 ( -1.510 1.163 0.000) 1.906 6.109 ( -0.905 -0.225 0.000) 0.932 6.297 ( -0.022 0.384 0.000) 0.384 ======================= Grid point 18 (12/129) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.627 0.369 0.000) 0.727 0.946 ( 0.729 -0.369 0.000) 0.817 1.212 ( -3.122 1.991 0.000) 3.703 1.418 ( -2.979 -2.198 0.000) 3.702 1.471 ( -2.625 1.036 0.000) 2.822 1.562 ( -0.110 0.016 0.000) 0.112 1.741 ( 0.929 -0.746 0.000) 1.191 1.776 ( -2.656 -3.520 0.000) 4.410 1.776 ( 0.342 -0.005 0.000) 0.342 1.911 ( 3.501 2.238 0.000) 4.155 1.933 ( 3.346 1.699 0.000) 3.752 2.037 ( -0.030 -0.003 0.000) 0.031 2.248 ( 0.208 0.003 0.000) 0.208 2.364 ( 0.360 0.002 0.000) 0.360 2.509 ( 0.594 -0.472 0.000) 0.758 2.863 ( 0.464 0.366 0.000) 0.591 3.059 ( -0.106 -0.254 0.000) 0.276 3.095 ( -0.073 0.002 0.000) 0.073 3.303 ( 0.083 -0.006 0.000) 0.083 3.528 ( 0.576 -0.043 0.000) 0.578 3.682 ( -0.068 -0.001 0.000) 0.068 3.827 ( -0.428 0.066 0.000) 0.433 3.846 ( -0.176 -0.000 0.000) 0.176 3.868 ( 0.006 0.025 0.000) 0.026 3.933 ( 0.038 -0.021 0.000) 0.043 4.360 ( -0.081 -0.011 0.000) 0.082 4.445 ( -0.121 -0.008 0.000) 0.121 4.806 ( 0.007 0.001 0.000) 0.007 5.105 ( -0.116 0.004 0.000) 0.116 5.169 ( -0.047 0.016 0.000) 0.050 5.264 ( 0.037 -0.044 0.000) 0.058 5.315 ( 1.018 -0.017 0.000) 1.018 5.329 ( -1.017 0.036 0.000) 1.018 5.595 ( -0.881 0.015 0.000) 0.881 6.103 ( 0.176 0.000 0.000) 0.176 6.293 ( -0.296 0.000 0.000) 0.296 ======================= Grid point 19 (13/129) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.494 -0.503 0.000) 0.705 0.984 ( 2.643 0.567 0.000) 2.703 1.183 ( -2.147 -4.984 0.000) 5.427 1.341 ( -4.304 -4.260 0.000) 6.056 1.463 ( 0.142 -3.727 0.000) 3.730 1.551 ( -1.364 -0.102 0.000) 1.368 1.697 ( -5.377 -3.424 0.000) 6.375 1.772 ( 0.399 0.689 0.000) 0.797 1.790 ( 1.101 0.592 0.000) 1.250 1.910 ( -9.573 -0.021 0.000) 9.573 1.924 ( -0.110 4.534 0.000) 4.535 1.973 ( 2.006 4.689 0.000) 5.100 2.344 ( 6.543 0.238 0.000) 6.547 2.354 ( -1.208 0.789 0.000) 1.443 2.472 ( -4.373 1.255 0.000) 4.550 2.835 ( -2.982 0.821 0.000) 3.093 3.018 ( -7.820 -0.159 0.000) 7.821 3.061 ( 0.121 -0.118 0.000) 0.169 3.336 ( 3.331 0.190 0.000) 3.337 3.597 ( 6.639 0.931 0.000) 6.704 3.677 ( -0.547 -0.098 0.000) 0.556 3.786 ( -3.770 -0.146 0.000) 3.773 3.817 ( -0.803 -0.650 0.000) 1.033 3.872 ( 0.411 -0.008 0.000) 0.411 3.962 ( 1.160 -0.063 0.000) 1.162 4.235 ( -7.319 -0.038 0.000) 7.319 4.541 ( 4.499 -0.552 0.000) 4.533 4.810 ( 0.244 -0.009 0.000) 0.245 5.060 ( -2.820 -0.176 0.000) 2.825 5.174 ( -6.927 -0.037 0.000) 6.928 5.207 ( 1.988 -0.112 0.000) 1.991 5.273 ( 0.595 0.075 0.000) 0.599 5.465 ( 6.925 0.084 0.000) 6.925 5.590 ( -0.020 -1.686 0.000) 1.686 6.116 ( 1.226 0.346 0.000) 1.273 6.286 ( -0.498 -0.563 0.000) 0.752 ======================= Grid point 20 (14/129) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.168 -0.417 0.000) 0.450 1.033 ( 2.224 -0.042 0.000) 2.224 1.087 ( -10.292 -6.321 0.000) 12.078 1.363 ( 1.272 -8.218 0.000) 8.316 1.478 ( -7.041 0.282 0.000) 7.047 1.494 ( 0.431 -4.902 0.000) 4.921 1.614 ( -3.527 -3.898 0.000) 5.256 1.724 ( -7.702 -0.293 0.000) 7.707 1.745 ( -2.911 1.747 0.000) 3.395 1.813 ( 1.233 0.898 0.000) 1.525 1.871 ( -2.361 5.330 0.000) 5.829 1.960 ( -0.936 4.159 0.000) 4.263 2.307 ( -3.308 2.263 0.000) 4.008 2.314 ( -9.404 3.843 0.000) 10.159 2.458 ( 4.889 0.183 0.000) 4.892 2.737 ( -6.535 0.752 0.000) 6.578 2.794 ( -14.514 -0.388 0.000) 14.519 3.058 ( -0.467 0.426 0.000) 0.632 3.425 ( 5.443 0.508 0.000) 5.466 3.658 ( -1.462 -0.085 0.000) 1.465 3.728 ( -2.242 -0.007 0.000) 2.242 3.773 ( 9.310 1.244 0.000) 9.393 3.802 ( 0.858 -0.405 0.000) 0.948 3.893 ( 1.966 -0.011 0.000) 1.967 3.959 ( -1.481 -0.251 0.000) 1.502 4.122 ( -3.640 0.003 0.000) 3.640 4.587 ( -0.536 -2.239 0.000) 2.303 4.812 ( -0.156 -0.117 0.000) 0.195 5.022 ( -1.162 -0.255 0.000) 1.189 5.048 ( -5.339 -0.236 0.000) 5.344 5.246 ( 1.907 -0.144 0.000) 1.912 5.279 ( -0.126 -0.026 0.000) 0.128 5.563 ( 1.121 -1.835 0.000) 2.150 5.638 ( 5.424 -1.096 0.000) 5.534 6.146 ( 2.048 0.681 0.000) 2.158 6.279 ( -0.705 -1.062 0.000) 1.274 ======================= Grid point 21 (15/129) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -2.594 0.998 0.000) 2.779 0.878 ( -13.100 -3.823 0.000) 13.646 1.072 ( 1.220 -2.146 0.000) 2.468 1.273 ( -12.018 -0.179 0.000) 12.019 1.344 ( -6.190 -3.557 0.000) 7.139 1.551 ( -0.377 -7.245 0.000) 7.254 1.616 ( -2.189 -2.761 0.000) 3.524 1.621 ( -3.546 -0.007 0.000) 3.546 1.645 ( -3.182 1.180 0.000) 3.393 1.764 ( -6.551 2.999 0.000) 7.205 1.822 ( -0.459 0.779 0.000) 0.905 1.895 ( -3.559 1.074 0.000) 3.717 2.085 ( -7.523 5.821 0.000) 9.512 2.238 ( -2.926 2.580 0.000) 3.901 2.485 ( -15.621 -0.515 0.000) 15.630 2.536 ( 2.917 -0.077 0.000) 2.918 2.571 ( -9.757 0.527 0.000) 9.771 3.040 ( -0.818 0.916 0.000) 1.228 3.511 ( 2.333 0.616 0.000) 2.413 3.630 ( -0.715 -0.069 0.000) 0.718 3.674 ( -3.956 0.267 0.000) 3.965 3.741 ( -4.028 0.372 0.000) 4.045 3.917 ( -2.341 -0.434 0.000) 2.381 3.959 ( 4.730 0.261 0.000) 4.737 4.029 ( 13.145 1.052 0.000) 13.187 4.097 ( 1.074 0.101 0.000) 1.079 4.560 ( -3.533 -4.876 0.000) 6.022 4.807 ( -0.235 -0.296 0.000) 0.378 4.963 ( -2.950 -0.209 0.000) 2.957 5.011 ( -0.847 -0.150 0.000) 0.861 5.251 ( -2.265 -0.246 0.000) 2.278 5.299 ( 2.832 -0.147 0.000) 2.835 5.563 ( -2.482 -5.516 0.000) 6.048 5.778 ( 8.055 1.266 0.000) 8.154 6.186 ( 2.185 0.634 0.000) 2.275 6.271 ( -0.481 -1.021 0.000) 1.129 ======================= Grid point 22 (16/129) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -13.692 0.093 0.000) 13.692 0.721 ( -11.981 3.385 0.000) 12.450 1.061 ( -6.199 -2.354 0.000) 6.631 1.136 ( 1.034 -3.832 0.000) 3.969 1.178 ( -13.845 4.631 0.000) 14.599 1.355 ( -12.744 -0.130 0.000) 12.745 1.501 ( -8.357 4.331 0.000) 9.412 1.565 ( -1.908 1.030 0.000) 2.168 1.598 ( -3.690 -3.939 0.000) 5.397 1.749 ( 2.031 -1.490 0.000) 2.519 1.751 ( -7.280 0.096 0.000) 7.281 1.861 ( 0.043 -4.631 0.000) 4.631 2.009 ( 0.732 1.898 0.000) 2.035 2.174 ( -2.103 1.592 0.000) 2.637 2.238 ( -7.953 -0.199 0.000) 7.955 2.362 ( -10.514 0.392 0.000) 10.521 2.584 ( 1.845 -0.358 0.000) 1.879 3.027 ( 0.237 0.970 0.000) 0.998 3.495 ( -2.627 0.299 0.000) 2.644 3.548 ( -8.368 0.253 0.000) 8.372 3.633 ( -6.210 0.749 0.000) 6.255 3.645 ( 1.227 -0.067 0.000) 1.229 3.886 ( -0.893 -0.328 0.000) 0.951 4.067 ( 5.913 0.722 0.000) 5.957 4.140 ( 3.238 0.251 0.000) 3.247 4.250 ( 6.219 -3.749 0.000) 7.261 4.529 ( -1.033 -5.271 0.000) 5.371 4.810 ( 0.356 -0.432 0.000) 0.560 4.928 ( -0.739 0.226 0.000) 0.773 4.990 ( -1.196 0.289 0.000) 1.231 5.184 ( -4.465 -0.258 0.000) 4.472 5.362 ( 2.998 -0.545 0.000) 3.048 5.523 ( -5.781 -9.791 0.000) 11.370 5.934 ( 8.971 3.671 0.000) 9.693 6.217 ( 0.819 -0.742 0.000) 1.105 6.276 ( 0.890 0.512 0.000) 1.027 ======================= Grid point 23 (17/129) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( -11.857 6.051 0.000) 13.312 0.404 ( -16.661 4.196 0.000) 17.181 0.714 ( -24.236 12.021 0.000) 27.053 0.973 ( -3.403 -1.074 0.000) 3.569 1.212 ( 3.235 -5.656 0.000) 6.516 1.229 ( -2.589 -0.152 0.000) 2.594 1.323 ( -6.614 4.445 0.000) 7.969 1.524 ( -4.689 -2.635 0.000) 5.379 1.527 ( -2.397 1.279 0.000) 2.717 1.566 ( -8.391 0.281 0.000) 8.396 1.784 ( 2.483 0.089 0.000) 2.485 1.912 ( 0.847 -4.170 0.000) 4.256 2.031 ( 1.550 0.715 0.000) 1.707 2.152 ( -2.451 -1.131 0.000) 2.699 2.168 ( -0.604 0.121 0.000) 0.616 2.194 ( -1.845 1.706 0.000) 2.513 2.614 ( 0.943 -0.473 0.000) 1.055 3.041 ( 1.377 0.683 0.000) 1.537 3.375 ( -7.741 0.197 0.000) 7.744 3.441 ( -2.240 0.085 0.000) 2.242 3.511 ( -5.186 0.111 0.000) 5.187 3.663 ( 0.544 -0.218 0.000) 0.586 3.879 ( -0.127 -0.139 0.000) 0.188 4.163 ( 3.762 0.873 0.000) 3.862 4.201 ( 2.126 -0.194 0.000) 2.135 4.221 ( -18.212 -23.221 0.000) 29.510 4.617 ( 7.495 0.941 0.000) 7.553 4.823 ( 0.576 -0.446 0.000) 0.729 4.926 ( 0.737 0.984 0.000) 1.229 4.968 ( -0.642 0.752 0.000) 0.989 5.090 ( -4.650 -0.060 0.000) 4.650 5.386 ( -10.021 -13.712 0.000) 16.984 5.436 ( -3.059 -4.533 0.000) 5.469 6.094 ( 10.380 7.058 0.000) 12.553 6.229 ( -0.135 -1.909 0.000) 1.914 6.294 ( 1.246 1.853 0.000) 2.233 ======================= Grid point 24 (18/129) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.105 ( 0.000 9.854 0.000) 9.854 0.163 ( 0.000 15.332 0.000) 15.332 0.247 ( 0.000 23.205 0.000) 23.205 0.942 ( -0.000 -0.507 0.000) 0.507 1.212 ( 0.000 2.698 0.000) 2.698 1.224 ( 0.000 0.886 0.000) 0.886 1.294 ( -0.000 -5.622 0.000) 5.622 1.432 ( 0.000 0.077 0.000) 0.077 1.471 ( -0.000 -1.535 0.000) 1.535 1.518 ( 0.000 2.343 0.000) 2.343 1.878 ( -0.000 -2.010 0.000) 2.010 1.920 ( -0.000 -0.884 0.000) 0.884 2.068 ( 0.000 0.106 0.000) 0.106 2.080 ( -0.000 -1.770 0.000) 1.770 2.167 ( 0.000 0.128 0.000) 0.128 2.479 ( -0.000 -3.308 0.000) 3.308 2.626 ( -0.000 -0.379 0.000) 0.379 3.062 ( 0.000 0.294 0.000) 0.294 3.289 ( 0.000 0.152 0.000) 0.152 3.291 ( 0.000 0.188 0.000) 0.188 3.417 ( 0.000 0.010 0.000) 0.010 3.456 ( 0.000 0.039 0.000) 0.039 3.670 ( -0.000 -0.206 0.000) 0.206 3.879 ( -0.000 -0.070 0.000) 0.070 4.197 ( 0.000 0.686 0.000) 0.686 4.228 ( 0.000 0.323 0.000) 0.323 4.742 ( -0.000 -1.661 0.000) 1.661 4.832 ( -0.000 -0.336 0.000) 0.336 4.957 ( 0.000 0.658 0.000) 0.658 4.977 ( -0.000 -0.077 0.000) 0.077 5.034 ( 0.000 0.056 0.000) 0.056 5.062 ( 0.000 0.077 0.000) 0.077 5.443 ( -0.000 -0.012 0.000) 0.012 6.237 ( -0.000 -1.927 0.000) 1.927 6.264 ( -0.000 -0.043 0.000) 0.043 6.297 ( 0.000 1.929 0.000) 1.929 ======================= Grid point 27 (19/129) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.717 -0.000 0.000) 0.717 1.033 ( -3.572 0.000 0.000) 3.572 1.234 ( 11.307 -0.000 0.000) 11.307 1.473 ( 7.440 -0.000 0.000) 7.440 1.560 ( 3.973 -0.000 0.000) 3.973 1.636 ( 0.473 -0.000 0.000) 0.473 1.678 ( 0.098 -0.000 0.000) 0.098 1.732 ( 7.466 -0.000 0.000) 7.466 1.751 ( 2.141 -0.000 0.000) 2.141 1.760 ( 1.618 -0.000 0.000) 1.618 1.766 ( -6.089 0.000 0.000) 6.089 1.793 ( -1.216 0.000 0.000) 1.216 2.221 ( 13.836 -0.000 0.000) 13.836 2.266 ( 3.931 -0.000 0.000) 3.931 2.455 ( -5.081 0.000 0.000) 5.081 2.722 ( 6.405 -0.000 0.000) 6.405 2.801 ( 14.293 -0.000 0.000) 14.293 3.050 ( 1.057 -0.000 0.000) 1.057 3.415 ( -5.135 0.000 0.000) 5.135 3.660 ( 1.504 -0.000 0.000) 1.504 3.728 ( 2.512 -0.000 0.000) 2.512 3.745 ( -10.611 0.000 0.000) 10.611 3.813 ( 1.160 -0.000 0.000) 1.160 3.893 ( -1.889 0.000 0.000) 1.889 3.964 ( 1.262 -0.000 0.000) 1.262 4.122 ( 3.678 -0.000 0.000) 3.678 4.630 ( -1.652 0.000 0.000) 1.652 4.814 ( -0.005 0.000 0.000) 0.005 5.028 ( 0.914 -0.000 0.000) 0.914 5.052 ( 5.450 -0.000 0.000) 5.450 5.251 ( -2.061 0.000 0.000) 2.061 5.277 ( 0.063 -0.000 0.000) 0.063 5.595 ( -6.425 0.000 0.000) 6.425 5.667 ( -1.449 0.000 0.000) 1.449 6.134 ( -1.835 0.000 0.000) 1.835 6.298 ( 0.391 -0.000 0.000) 0.391 ======================= Grid point 28 (20/129) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.703 0.219 0.000) 0.737 0.967 ( -3.091 -0.233 0.000) 3.099 1.347 ( -0.816 2.256 0.000) 2.399 1.484 ( -5.258 2.707 0.000) 5.914 1.554 ( 1.514 0.031 0.000) 1.514 1.586 ( -4.378 1.566 0.000) 4.649 1.690 ( 0.617 -0.753 0.000) 0.974 1.749 ( 0.213 -3.239 0.000) 3.246 1.774 ( -0.512 -0.159 0.000) 0.536 1.829 ( 5.979 0.476 0.000) 5.998 1.840 ( 5.520 -1.083 0.000) 5.626 1.911 ( 9.494 -0.001 0.000) 9.494 2.333 ( 2.493 -0.235 0.000) 2.504 2.338 ( -6.448 -0.062 0.000) 6.448 2.429 ( 6.694 -0.575 0.000) 6.719 2.821 ( 3.731 -0.086 0.000) 3.732 3.023 ( 7.573 0.042 0.000) 7.573 3.061 ( -0.040 -0.046 0.000) 0.061 3.331 ( -3.010 -0.054 0.000) 3.010 3.572 ( -5.751 -0.272 0.000) 5.757 3.680 ( 0.497 0.025 0.000) 0.497 3.790 ( 3.806 0.046 0.000) 3.806 3.834 ( 0.346 0.196 0.000) 0.398 3.872 ( -0.446 0.001 0.000) 0.446 3.963 ( -1.363 0.013 0.000) 1.363 4.236 ( 7.371 0.007 0.000) 7.371 4.554 ( -5.778 0.137 0.000) 5.780 4.810 ( -0.309 0.003 0.000) 0.309 5.064 ( 2.658 0.047 0.000) 2.658 5.177 ( 6.943 0.043 0.000) 6.943 5.209 ( -2.377 0.018 0.000) 2.377 5.269 ( -0.582 -0.056 0.000) 0.584 5.465 ( -6.766 0.027 0.000) 6.767 5.631 ( -1.877 0.421 0.000) 1.924 6.107 ( -0.831 -0.080 0.000) 0.835 6.300 ( -0.149 0.138 0.000) 0.204 ======================= Grid point 29 (21/129) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -1.459 0.486 0.000) 1.538 0.941 ( 1.637 -0.485 0.000) 1.708 1.239 ( -5.678 2.696 0.000) 6.285 1.389 ( -5.127 -2.828 0.000) 5.855 1.484 ( -4.343 1.150 0.000) 4.493 1.562 ( -0.192 0.016 0.000) 0.192 1.726 ( -1.874 -2.143 0.000) 2.847 1.746 ( 1.308 -1.363 0.000) 1.889 1.776 ( 0.593 -0.005 0.000) 0.593 1.934 ( 4.501 1.726 0.000) 4.820 1.951 ( 4.949 1.262 0.000) 5.107 2.037 ( -0.053 -0.003 0.000) 0.053 2.248 ( 0.360 0.003 0.000) 0.360 2.364 ( 0.651 0.019 0.000) 0.651 2.503 ( 1.029 -0.486 0.000) 1.138 2.867 ( 0.819 0.373 0.000) 0.900 3.056 ( -0.201 -0.264 0.000) 0.332 3.095 ( -0.126 0.002 0.000) 0.126 3.302 ( 0.143 -0.006 0.000) 0.143 3.527 ( 0.993 -0.043 0.000) 0.994 3.682 ( -0.118 -0.001 0.000) 0.118 3.828 ( -0.736 0.066 0.000) 0.739 3.846 ( -0.303 -0.000 0.000) 0.303 3.868 ( 0.007 0.025 0.000) 0.026 3.933 ( 0.066 -0.021 0.000) 0.070 4.360 ( -0.140 -0.011 0.000) 0.141 4.445 ( -0.209 -0.008 0.000) 0.210 4.806 ( 0.012 0.001 0.000) 0.012 5.106 ( -0.200 0.004 0.000) 0.200 5.169 ( -0.083 0.016 0.000) 0.084 5.263 ( 0.068 -0.044 0.000) 0.081 5.315 ( 1.686 -0.016 0.000) 1.686 5.330 ( -1.687 0.035 0.000) 1.687 5.595 ( -1.525 0.015 0.000) 1.525 6.103 ( 0.305 0.000 0.000) 0.305 6.293 ( -0.512 0.000 0.000) 0.512 ======================= Grid point 30 (22/129) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -0.652 -0.329 0.000) 0.731 0.990 ( 2.716 0.380 0.000) 2.742 1.140 ( -5.002 -3.079 0.000) 5.873 1.301 ( -4.516 -3.053 0.000) 5.451 1.430 ( -1.253 -2.359 0.000) 2.671 1.550 ( -1.321 -0.073 0.000) 1.323 1.664 ( -4.890 -2.676 0.000) 5.574 1.777 ( 0.636 0.211 0.000) 0.670 1.795 ( 1.344 0.436 0.000) 1.413 1.910 ( -9.628 -0.023 0.000) 9.628 1.970 ( 0.720 4.007 0.000) 4.071 2.010 ( 1.776 2.316 0.000) 2.918 2.346 ( 6.577 0.175 0.000) 6.579 2.361 ( -0.753 0.601 0.000) 0.963 2.482 ( -3.297 0.720 0.000) 3.375 2.844 ( -2.929 0.753 0.000) 3.024 3.017 ( -7.912 -0.116 0.000) 7.913 3.060 ( 0.323 -0.182 0.000) 0.371 3.338 ( 3.453 0.136 0.000) 3.456 3.605 ( 6.988 0.645 0.000) 7.018 3.676 ( -0.567 -0.074 0.000) 0.571 3.785 ( -3.767 -0.101 0.000) 3.768 3.811 ( -1.015 -0.439 0.000) 1.106 3.871 ( 0.398 -0.006 0.000) 0.398 3.961 ( 1.093 -0.050 0.000) 1.095 4.235 ( -7.301 -0.032 0.000) 7.301 4.535 ( 4.023 -0.416 0.000) 4.044 4.810 ( 0.221 -0.006 0.000) 0.221 5.058 ( -2.879 -0.129 0.000) 2.882 5.174 ( -7.131 0.008 0.000) 7.131 5.205 ( 2.074 -0.102 0.000) 2.077 5.273 ( 0.574 0.023 0.000) 0.574 5.466 ( 7.177 0.145 0.000) 7.179 5.574 ( -0.905 -1.298 0.000) 1.582 6.119 ( 1.407 0.270 0.000) 1.433 6.281 ( -0.772 -0.428 0.000) 0.883 ======================= Grid point 31 (23/129) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.118 -0.361 0.000) 0.379 1.026 ( -9.016 -5.019 0.000) 10.319 1.032 ( 1.526 -0.042 0.000) 1.526 1.285 ( -0.080 -6.408 0.000) 6.409 1.448 ( 0.965 -3.869 0.000) 3.987 1.481 ( -6.828 0.255 0.000) 6.833 1.577 ( -4.591 -2.960 0.000) 5.462 1.722 ( -7.890 -0.200 0.000) 7.892 1.760 ( -2.126 1.093 0.000) 2.390 1.822 ( 1.318 0.719 0.000) 1.502 1.925 ( -2.890 4.662 0.000) 5.485 1.994 ( -2.247 2.135 0.000) 3.100 2.327 ( -2.175 1.604 0.000) 2.703 2.353 ( -8.639 3.384 0.000) 9.278 2.460 ( 4.794 0.160 0.000) 4.796 2.745 ( -6.687 0.662 0.000) 6.719 2.790 ( -14.629 -0.340 0.000) 14.633 3.063 ( -0.138 0.375 0.000) 0.400 3.430 ( 5.598 0.441 0.000) 5.616 3.657 ( -1.440 -0.075 0.000) 1.442 3.728 ( -2.110 -0.006 0.000) 2.110 3.781 ( 4.274 0.299 0.000) 4.284 3.802 ( 6.369 0.468 0.000) 6.386 3.892 ( 2.006 -0.008 0.000) 2.006 3.957 ( -1.593 -0.220 0.000) 1.609 4.122 ( -3.619 -0.008 0.000) 3.619 4.564 ( -1.808 -2.033 0.000) 2.721 4.810 ( -0.237 -0.101 0.000) 0.258 5.020 ( -1.126 -0.176 0.000) 1.140 5.046 ( -5.440 -0.242 0.000) 5.445 5.245 ( 1.943 -0.069 0.000) 1.945 5.278 ( -0.278 -0.118 0.000) 0.302 5.543 ( -1.064 -1.733 0.000) 2.033 5.628 ( 7.031 -0.739 0.000) 7.070 6.153 ( 2.248 0.708 0.000) 2.356 6.267 ( -0.954 -1.038 0.000) 1.409 ======================= Grid point 32 (24/129) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -10.350 -1.566 0.000) 10.468 0.881 ( -1.132 1.039 0.000) 1.536 1.049 ( -0.285 -2.067 0.000) 2.086 1.270 ( -12.942 -0.320 0.000) 12.946 1.297 ( -3.327 -5.471 0.000) 6.403 1.478 ( -1.459 -5.649 0.000) 5.834 1.564 ( 1.177 -5.632 0.000) 5.754 1.621 ( -3.087 0.063 0.000) 3.088 1.679 ( -4.867 3.400 0.000) 5.937 1.803 ( -7.223 4.025 0.000) 8.269 1.830 ( -0.655 0.730 0.000) 0.981 1.905 ( -5.322 0.779 0.000) 5.379 2.141 ( -8.728 4.651 0.000) 9.890 2.263 ( -3.127 2.090 0.000) 3.761 2.479 ( -15.641 -0.505 0.000) 15.649 2.535 ( 2.766 -0.094 0.000) 2.768 2.576 ( -9.838 0.496 0.000) 9.851 3.050 ( -0.635 0.916 0.000) 1.115 3.518 ( 2.250 0.608 0.000) 2.331 3.630 ( -0.698 -0.058 0.000) 0.700 3.677 ( -3.851 0.257 0.000) 3.859 3.745 ( -3.453 0.352 0.000) 3.470 3.913 ( -2.402 -0.410 0.000) 2.437 3.961 ( 4.998 0.236 0.000) 5.003 4.044 ( 12.817 1.642 0.000) 12.922 4.098 ( 1.151 0.079 0.000) 1.153 4.503 ( -5.619 -5.647 0.000) 7.967 4.804 ( -0.344 -0.298 0.000) 0.455 4.961 ( -2.828 -0.189 0.000) 2.835 5.010 ( -0.685 -0.127 0.000) 0.696 5.249 ( -2.379 -0.230 0.000) 2.390 5.297 ( 2.758 -0.232 0.000) 2.768 5.509 ( -3.905 -4.502 0.000) 5.959 5.787 ( 8.774 0.638 0.000) 8.797 6.194 ( 1.933 0.877 0.000) 2.123 6.259 ( -0.194 -1.261 0.000) 1.276 ======================= Grid point 33 (25/129) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -9.374 4.415 0.000) 10.362 0.763 ( -10.806 4.608 0.000) 11.748 1.030 ( -5.070 -3.360 0.000) 6.082 1.092 ( -1.957 -4.362 0.000) 4.781 1.210 ( -8.145 1.273 0.000) 8.244 1.355 ( -13.149 -0.735 0.000) 13.169 1.532 ( -5.570 1.362 0.000) 5.734 1.575 ( -5.122 0.286 0.000) 5.130 1.576 ( -1.379 0.968 0.000) 1.685 1.731 ( 3.098 -1.499 0.000) 3.441 1.752 ( -7.718 0.134 0.000) 7.719 1.818 ( -3.051 -3.372 0.000) 4.548 2.026 ( -1.124 1.315 0.000) 1.730 2.187 ( -3.433 0.948 0.000) 3.561 2.236 ( -7.689 -0.253 0.000) 7.693 2.366 ( -10.559 0.399 0.000) 10.567 2.580 ( 1.684 -0.418 0.000) 1.735 3.038 ( 0.213 1.085 0.000) 1.105 3.498 ( -2.766 0.330 0.000) 2.786 3.551 ( -8.388 0.302 0.000) 8.393 3.643 ( -6.213 1.114 0.000) 6.312 3.644 ( 1.119 -0.095 0.000) 1.123 3.883 ( -0.775 -0.331 0.000) 0.842 4.075 ( 6.170 0.798 0.000) 6.221 4.144 ( 3.422 0.447 0.000) 3.451 4.204 ( -1.619 -4.799 0.000) 5.065 4.467 ( 1.847 -6.120 0.000) 6.393 4.805 ( 0.265 -0.508 0.000) 0.573 4.931 ( -0.395 0.244 0.000) 0.464 4.993 ( -0.816 0.431 0.000) 0.923 5.181 ( -4.445 -0.355 0.000) 4.459 5.352 ( 1.357 -1.509 0.000) 2.030 5.436 ( -5.990 -6.411 0.000) 8.774 5.964 ( 9.733 2.124 0.000) 9.962 6.209 ( -0.100 -0.726 0.000) 0.733 6.281 ( 1.908 0.470 0.000) 1.965 ======================= Grid point 34 (26/129) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -5.923 11.812 0.000) 13.214 0.457 ( -15.270 5.749 0.000) 16.316 0.844 ( -19.940 12.008 0.000) 23.276 0.958 ( -3.090 -1.913 0.000) 3.634 1.143 ( 2.322 -7.015 0.000) 7.389 1.234 ( -1.133 1.014 0.000) 1.520 1.375 ( -6.842 5.358 0.000) 8.690 1.491 ( -4.806 -3.576 0.000) 5.991 1.539 ( -5.200 0.906 0.000) 5.278 1.570 ( -5.261 0.485 0.000) 5.283 1.779 ( 2.061 -1.329 0.000) 2.452 1.862 ( 2.853 -5.074 0.000) 5.821 2.038 ( 0.872 0.472 0.000) 0.992 2.137 ( -3.065 -1.772 0.000) 3.540 2.169 ( -0.528 0.118 0.000) 0.541 2.207 ( -0.884 0.462 0.000) 0.998 2.608 ( 0.859 -0.652 0.000) 1.078 3.049 ( 1.261 0.886 0.000) 1.541 3.377 ( -7.729 0.271 0.000) 7.734 3.442 ( -2.323 0.111 0.000) 2.326 3.513 ( -5.648 0.305 0.000) 5.657 3.661 ( 0.452 -0.307 0.000) 0.546 3.878 ( -0.056 -0.137 0.000) 0.148 3.983 ( -28.696 -20.068 0.000) 35.017 4.173 ( 3.870 1.144 0.000) 4.035 4.207 ( 2.833 0.778 0.000) 2.938 4.609 ( 7.385 -2.128 0.000) 7.686 4.817 ( 0.531 -0.624 0.000) 0.820 4.936 ( 1.188 0.947 0.000) 1.519 4.977 ( -0.329 1.077 0.000) 1.126 5.089 ( -4.502 -0.123 0.000) 4.503 5.256 ( -12.667 -8.933 0.000) 15.500 5.426 ( 1.500 -0.223 0.000) 1.516 6.144 ( 9.517 2.956 0.000) 9.966 6.210 ( -0.327 -1.667 0.000) 1.699 6.312 ( 1.516 1.606 0.000) 2.208 ======================= Grid point 35 (27/129) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.206 ( 0.000 9.387 0.000) 9.387 0.321 ( 0.000 14.457 0.000) 14.457 0.486 ( 0.000 22.003 0.000) 22.003 0.933 ( -0.000 -1.167 0.000) 1.167 1.220 ( -0.000 -7.872 0.000) 7.872 1.237 ( 0.000 1.583 0.000) 1.583 1.254 ( 0.000 5.046 0.000) 5.046 1.433 ( 0.000 0.134 0.000) 0.134 1.447 ( -0.000 -2.912 0.000) 2.912 1.543 ( 0.000 2.196 0.000) 2.196 1.846 ( -0.000 -3.959 0.000) 3.959 1.907 ( -0.000 -1.558 0.000) 1.558 2.054 ( -0.000 -2.955 0.000) 2.955 2.069 ( 0.000 0.161 0.000) 0.161 2.169 ( 0.000 0.184 0.000) 0.184 2.428 ( -0.000 -6.196 0.000) 6.196 2.620 ( -0.000 -0.663 0.000) 0.663 3.066 ( 0.000 0.497 0.000) 0.497 3.291 ( 0.000 0.266 0.000) 0.266 3.293 ( 0.000 0.330 0.000) 0.330 3.417 ( 0.000 0.015 0.000) 0.015 3.457 ( 0.000 0.064 0.000) 0.064 3.667 ( -0.000 -0.363 0.000) 0.363 3.878 ( -0.000 -0.080 0.000) 0.080 4.207 ( 0.000 1.146 0.000) 1.146 4.234 ( 0.000 0.750 0.000) 0.750 4.716 ( -0.000 -3.149 0.000) 3.149 4.827 ( -0.000 -0.596 0.000) 0.596 4.965 ( 0.000 0.637 0.000) 0.637 4.978 ( 0.000 0.429 0.000) 0.429 5.035 ( 0.000 0.097 0.000) 0.097 5.063 ( 0.000 0.133 0.000) 0.133 5.443 ( -0.000 -0.016 0.000) 0.016 6.216 ( -0.000 -1.957 0.000) 1.957 6.263 ( -0.000 -0.071 0.000) 0.071 6.318 ( 0.000 1.974 0.000) 1.974 ======================= Grid point 40 (28/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -2.146 0.000 0.000) 2.146 0.938 ( 2.351 -0.000 0.000) 2.351 1.257 ( -6.874 0.000 0.000) 6.874 1.371 ( -5.621 0.000 0.000) 5.621 1.491 ( -5.083 0.000 0.000) 5.083 1.562 ( -0.222 0.000 0.000) 0.222 1.711 ( -2.679 0.000 0.000) 2.679 1.741 ( 2.870 -0.000 0.000) 2.870 1.776 ( 0.685 -0.000 0.000) 0.685 1.944 ( 5.059 -0.000 0.000) 5.059 1.957 ( 5.085 -0.000 0.000) 5.085 2.037 ( -0.061 0.000 0.000) 0.061 2.248 ( 0.416 -0.000 0.000) 0.416 2.364 ( 0.768 -0.000 0.000) 0.768 2.500 ( 1.188 -0.000 0.000) 1.188 2.870 ( 0.956 -0.000 0.000) 0.956 3.055 ( -0.242 0.000 0.000) 0.242 3.095 ( -0.145 0.000 0.000) 0.145 3.302 ( 0.165 -0.000 0.000) 0.165 3.527 ( 1.144 -0.000 0.000) 1.144 3.682 ( -0.137 0.000 0.000) 0.137 3.828 ( -0.848 0.000 0.000) 0.848 3.846 ( -0.349 0.000 0.000) 0.349 3.868 ( 0.007 -0.000 0.000) 0.007 3.933 ( 0.077 -0.000 0.000) 0.077 4.360 ( -0.162 0.000 0.000) 0.162 4.445 ( -0.242 0.000 0.000) 0.242 4.806 ( 0.014 -0.000 0.000) 0.014 5.106 ( -0.231 0.000 0.000) 0.231 5.169 ( -0.096 0.000 0.000) 0.096 5.263 ( 0.080 -0.000 0.000) 0.080 5.315 ( 1.907 -0.000 0.000) 1.907 5.330 ( -1.909 0.000 0.000) 1.909 5.595 ( -1.761 0.000 0.000) 1.761 6.103 ( 0.352 -0.000 0.000) 0.352 6.293 ( -0.592 0.000 0.000) 0.592 ======================= Grid point 41 (29/129) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -0.774 -0.114 0.000) 0.782 0.992 ( 2.788 0.133 0.000) 2.791 1.118 ( -7.057 -1.013 0.000) 7.129 1.279 ( -4.050 -1.138 0.000) 4.207 1.414 ( -2.256 -0.786 0.000) 2.389 1.550 ( -1.299 -0.026 0.000) 1.299 1.644 ( -4.413 -1.004 0.000) 4.526 1.778 ( 0.790 0.037 0.000) 0.791 1.798 ( 1.493 0.161 0.000) 1.502 1.910 ( -9.669 -0.010 0.000) 9.669 2.005 ( 1.187 2.387 0.000) 2.666 2.021 ( 1.349 -0.164 0.000) 1.359 2.348 ( 6.597 0.065 0.000) 6.597 2.366 ( -0.510 0.232 0.000) 0.560 2.487 ( -2.596 0.223 0.000) 2.606 2.850 ( -2.961 0.310 0.000) 2.977 3.016 ( -7.967 -0.043 0.000) 7.967 3.058 ( 0.491 -0.090 0.000) 0.500 3.339 ( 3.524 0.049 0.000) 3.524 3.610 ( 7.192 0.226 0.000) 7.196 3.676 ( -0.578 -0.027 0.000) 0.579 3.784 ( -3.767 -0.035 0.000) 3.767 3.808 ( -1.145 -0.151 0.000) 1.155 3.871 ( 0.391 -0.002 0.000) 0.391 3.961 ( 1.057 -0.019 0.000) 1.057 4.234 ( -7.292 -0.012 0.000) 7.292 4.532 ( 3.746 -0.155 0.000) 3.749 4.810 ( 0.207 -0.002 0.000) 0.207 5.057 ( -2.914 -0.047 0.000) 2.914 5.174 ( -7.313 0.011 0.000) 7.313 5.205 ( 2.192 -0.042 0.000) 2.192 5.273 ( 0.557 0.002 0.000) 0.557 5.467 ( 7.437 0.078 0.000) 7.437 5.564 ( -1.530 -0.495 0.000) 1.608 6.121 ( 1.524 0.103 0.000) 1.528 6.278 ( -0.943 -0.161 0.000) 0.956 ======================= Grid point 42 (30/129) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.331 -0.208 0.000) 0.391 0.985 ( -7.640 -2.763 0.000) 8.125 1.032 ( 1.005 -0.027 0.000) 1.006 1.232 ( -1.707 -3.503 0.000) 3.897 1.415 ( 1.363 -2.152 0.000) 2.547 1.484 ( -6.666 0.152 0.000) 6.667 1.553 ( -5.127 -1.587 0.000) 5.367 1.720 ( -8.030 -0.098 0.000) 8.031 1.768 ( -1.647 0.514 0.000) 1.725 1.828 ( 1.386 0.396 0.000) 1.441 1.968 ( -3.235 3.392 0.000) 4.687 2.005 ( -2.956 0.134 0.000) 2.959 2.340 ( -1.908 0.884 0.000) 2.103 2.382 ( -7.703 1.893 0.000) 7.933 2.462 ( 4.725 0.094 0.000) 4.726 2.750 ( -6.835 0.387 0.000) 6.846 2.787 ( -14.715 -0.198 0.000) 14.716 3.066 ( 0.118 0.219 0.000) 0.249 3.434 ( 5.713 0.255 0.000) 5.718 3.657 ( -1.423 -0.044 0.000) 1.424 3.728 ( -2.014 -0.004 0.000) 2.014 3.781 ( 0.752 -0.193 0.000) 0.777 3.809 ( 10.304 0.657 0.000) 10.325 3.892 ( 2.036 -0.004 0.000) 2.036 3.955 ( -1.677 -0.129 0.000) 1.682 4.122 ( -3.604 -0.010 0.000) 3.604 4.547 ( -2.831 -1.218 0.000) 3.082 4.810 ( -0.297 -0.058 0.000) 0.303 5.019 ( -1.012 -0.078 0.000) 1.015 5.043 ( -5.601 -0.160 0.000) 5.603 5.245 ( 2.014 -0.018 0.000) 2.014 5.277 ( -0.438 -0.108 0.000) 0.451 5.528 ( -2.307 -1.037 0.000) 2.529 5.623 ( 7.888 -0.362 0.000) 7.897 6.160 ( 2.486 0.488 0.000) 2.534 6.258 ( -1.228 -0.678 0.000) 1.403 ======================= Grid point 43 (31/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -6.830 0.764 0.000) 6.873 0.891 ( 0.239 0.792 0.000) 0.828 1.030 ( -1.485 -1.479 0.000) 2.096 1.233 ( -1.625 -6.190 0.000) 6.400 1.266 ( -13.950 -0.312 0.000) 13.954 1.438 ( -3.296 -1.992 0.000) 3.851 1.508 ( 1.579 -4.819 0.000) 5.071 1.622 ( -2.719 0.085 0.000) 2.720 1.708 ( -3.799 2.111 0.000) 4.346 1.837 ( -0.809 0.508 0.000) 0.955 1.843 ( -7.322 3.485 0.000) 8.110 1.910 ( -6.226 0.144 0.000) 6.227 2.182 ( -9.748 3.039 0.000) 10.211 2.281 ( -3.460 1.281 0.000) 3.690 2.474 ( -15.698 -0.366 0.000) 15.702 2.534 ( 2.671 -0.078 0.000) 2.672 2.581 ( -9.908 0.345 0.000) 9.914 3.058 ( -0.493 0.669 0.000) 0.831 3.524 ( 2.167 0.440 0.000) 2.212 3.629 ( -0.661 -0.035 0.000) 0.662 3.680 ( -3.778 0.182 0.000) 3.783 3.748 ( -2.859 0.239 0.000) 2.869 3.909 ( -2.449 -0.291 0.000) 2.466 3.963 ( 5.230 0.162 0.000) 5.233 4.063 ( 13.177 1.835 0.000) 13.304 4.099 ( 1.159 0.045 0.000) 1.160 4.446 ( -8.188 -4.871 0.000) 9.527 4.801 ( -0.441 -0.219 0.000) 0.493 4.959 ( -2.747 -0.124 0.000) 2.749 5.009 ( -0.493 -0.080 0.000) 0.500 5.247 ( -2.550 -0.163 0.000) 2.556 5.295 ( 2.741 -0.221 0.000) 2.750 5.470 ( -4.695 -2.874 0.000) 5.505 5.792 ( 9.218 0.277 0.000) 9.222 6.204 ( 1.647 1.095 0.000) 1.978 6.245 ( 0.125 -1.374 0.000) 1.379 ======================= Grid point 44 (32/129) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -4.391 8.008 0.000) 9.133 0.816 ( -9.342 5.376 0.000) 10.779 0.994 ( -4.364 -3.353 0.000) 5.503 1.044 ( -4.750 -4.689 0.000) 6.675 1.202 ( -5.336 -3.038 0.000) 6.140 1.332 ( -8.773 -2.751 0.000) 9.194 1.546 ( -3.747 0.969 0.000) 3.870 1.585 ( -1.039 0.715 0.000) 1.261 1.586 ( -5.580 1.451 0.000) 5.766 1.727 ( 0.619 0.959 0.000) 1.141 1.754 ( -8.109 0.132 0.000) 8.110 1.789 ( -5.419 -2.246 0.000) 5.866 2.036 ( -2.912 0.654 0.000) 2.985 2.194 ( -4.712 0.308 0.000) 4.722 2.233 ( -7.445 -0.239 0.000) 7.449 2.370 ( -10.668 0.286 0.000) 10.672 2.576 ( 1.523 -0.366 0.000) 1.566 3.049 ( 0.179 0.911 0.000) 0.929 3.502 ( -2.899 0.271 0.000) 2.912 3.554 ( -8.427 0.274 0.000) 8.432 3.643 ( 1.024 -0.102 0.000) 1.029 3.656 ( -6.050 1.272 0.000) 6.182 3.880 ( -0.646 -0.248 0.000) 0.692 4.083 ( 6.417 0.665 0.000) 6.451 4.140 ( -2.905 -2.871 0.000) 4.084 4.163 ( -3.720 -1.089 0.000) 3.876 4.405 ( 6.046 -5.366 0.000) 8.084 4.800 ( 0.170 -0.447 0.000) 0.479 4.933 ( -0.079 0.198 0.000) 0.214 4.998 ( -0.421 0.458 0.000) 0.623 5.177 ( -4.443 -0.365 0.000) 4.458 5.328 ( -3.493 -2.834 0.000) 4.498 5.392 ( -1.519 -2.138 0.000) 2.623 5.981 ( 10.068 1.109 0.000) 10.129 6.203 ( -0.753 -0.559 0.000) 0.938 6.286 ( 2.666 0.346 0.000) 2.688 ======================= Grid point 45 (33/129) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -14.271 6.063 0.000) 15.506 0.583 ( -3.086 13.781 0.000) 14.122 0.933 ( -2.764 -2.635 0.000) 3.819 0.954 ( -14.632 8.224 0.000) 16.785 1.070 ( 1.625 -6.640 0.000) 6.836 1.249 ( -0.026 1.689 0.000) 1.689 1.431 ( -5.506 4.162 0.000) 6.902 1.457 ( -6.131 -1.523 0.000) 6.318 1.546 ( -8.059 0.436 0.000) 8.071 1.576 ( -2.240 0.526 0.000) 2.301 1.751 ( -0.073 -4.154 0.000) 4.154 1.815 ( 4.802 -3.238 0.000) 5.792 2.040 ( 0.350 -0.116 0.000) 0.369 2.115 ( -2.730 -2.289 0.000) 3.563 2.170 ( -0.447 0.062 0.000) 0.451 2.204 ( -2.767 -0.828 0.000) 2.888 2.601 ( 0.760 -0.659 0.000) 1.006 3.059 ( 1.114 0.838 0.000) 1.394 3.380 ( -7.713 0.272 0.000) 7.717 3.443 ( -2.416 0.104 0.000) 2.419 3.518 ( -6.361 0.647 0.000) 6.394 3.657 ( 0.349 -0.318 0.000) 0.472 3.807 ( -29.285 -13.506 0.000) 32.250 3.876 ( 0.027 -0.083 0.000) 0.087 4.186 ( 3.987 1.095 0.000) 4.135 4.218 ( 3.072 1.189 0.000) 3.295 4.579 ( 6.932 -3.357 0.000) 7.702 4.811 ( 0.475 -0.642 0.000) 0.799 4.945 ( 1.318 0.711 0.000) 1.497 4.989 ( -0.021 1.142 0.000) 1.142 5.087 ( -4.311 -0.187 0.000) 4.315 5.189 ( -9.744 -4.263 0.000) 10.636 5.424 ( 1.771 -0.112 0.000) 1.775 6.165 ( 8.567 1.274 0.000) 8.661 6.194 ( -0.497 -1.282 0.000) 1.375 6.327 ( 1.778 1.240 0.000) 2.167 ======================= Grid point 46 (34/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( 0.000 8.425 0.000) 8.425 0.465 ( 0.000 12.847 0.000) 12.847 0.707 ( 0.000 19.695 0.000) 19.695 0.917 ( -0.000 -2.009 0.000) 2.009 1.136 ( -0.000 -7.889 0.000) 7.889 1.256 ( 0.000 1.917 0.000) 1.917 1.317 ( 0.000 6.817 0.000) 6.817 1.411 ( -0.000 -3.897 0.000) 3.897 1.435 ( 0.000 0.154 0.000) 0.154 1.562 ( 0.000 1.433 0.000) 1.433 1.795 ( -0.000 -5.698 0.000) 5.698 1.889 ( -0.000 -1.859 0.000) 1.859 2.021 ( -0.000 -3.200 0.000) 3.200 2.071 ( 0.000 0.158 0.000) 0.158 2.171 ( 0.000 0.153 0.000) 0.153 2.352 ( -0.000 -8.165 0.000) 8.165 2.612 ( -0.000 -0.775 0.000) 0.775 3.072 ( 0.000 0.556 0.000) 0.556 3.294 ( 0.000 0.312 0.000) 0.312 3.297 ( 0.000 0.387 0.000) 0.387 3.418 ( 0.000 0.012 0.000) 0.012 3.458 ( 0.000 0.068 0.000) 0.068 3.662 ( -0.000 -0.428 0.000) 0.428 3.877 ( -0.000 -0.034 0.000) 0.034 4.220 ( 0.000 1.265 0.000) 1.265 4.244 ( 0.000 1.266 0.000) 1.266 4.677 ( -0.000 -4.145 0.000) 4.145 4.820 ( -0.000 -0.710 0.000) 0.710 4.968 ( 0.000 0.111 0.000) 0.111 4.987 ( 0.000 1.198 0.000) 1.198 5.036 ( 0.000 0.112 0.000) 0.112 5.065 ( 0.000 0.152 0.000) 0.152 5.443 ( -0.000 -0.010 0.000) 0.010 6.197 ( -0.000 -1.629 0.000) 1.629 6.262 ( -0.000 -0.079 0.000) 0.079 6.338 ( 0.000 1.672 0.000) 1.672 ======================= Grid point 53 (35/129) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.410 -0.000 0.000) 0.410 0.970 ( -7.023 0.000 0.000) 7.023 1.032 ( 0.813 -0.000 0.000) 0.813 1.214 ( -2.436 0.000 0.000) 2.436 1.404 ( 1.504 -0.000 0.000) 1.504 1.484 ( -6.605 0.000 0.000) 6.605 1.545 ( -5.283 0.000 0.000) 5.283 1.719 ( -8.081 0.000 0.000) 8.081 1.771 ( -1.488 0.000 0.000) 1.488 1.830 ( 1.411 -0.000 0.000) 1.411 1.992 ( -3.572 0.000 0.000) 3.572 2.000 ( -2.955 0.000 0.000) 2.955 2.345 ( -1.818 0.000 0.000) 1.818 2.392 ( -7.386 0.000 0.000) 7.386 2.462 ( 4.700 -0.000 0.000) 4.700 2.752 ( -6.898 0.000 0.000) 6.898 2.786 ( -14.747 0.000 0.000) 14.747 3.067 ( 0.215 -0.000 0.000) 0.215 3.436 ( 5.755 -0.000 0.000) 5.755 3.656 ( -1.417 0.000 0.000) 1.417 3.728 ( -1.980 0.000 0.000) 1.980 3.780 ( 0.262 -0.000 0.000) 0.262 3.812 ( 10.963 -0.000 0.000) 10.963 3.892 ( 2.047 -0.000 0.000) 2.047 3.954 ( -1.708 0.000 0.000) 1.708 4.122 ( -3.599 0.000 0.000) 3.599 4.540 ( -3.227 0.000 0.000) 3.227 4.809 ( -0.319 0.000 0.000) 0.319 5.018 ( -0.944 0.000 0.000) 0.944 5.043 ( -5.685 0.000 0.000) 5.685 5.245 ( 2.052 -0.000 0.000) 2.052 5.276 ( -0.509 0.000 0.000) 0.509 5.523 ( -2.694 0.000 0.000) 2.694 5.621 ( 8.142 -0.000 0.000) 8.142 6.163 ( 2.610 -0.000 0.000) 2.610 6.254 ( -1.365 0.000 0.000) 1.365 ======================= Grid point 55 (36/129) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -3.925 0.937 0.000) 4.036 0.897 ( 1.083 0.298 0.000) 1.123 1.019 ( -2.145 -0.537 0.000) 2.211 1.181 ( -1.837 -2.956 0.000) 3.480 1.264 ( -14.618 -0.130 0.000) 14.618 1.432 ( -4.992 0.380 0.000) 5.006 1.467 ( 2.693 -2.603 0.000) 3.745 1.622 ( -2.517 0.039 0.000) 2.517 1.723 ( -3.117 0.687 0.000) 3.192 1.840 ( -0.892 0.181 0.000) 0.910 1.872 ( -7.496 1.731 0.000) 7.693 1.908 ( -6.399 -0.387 0.000) 6.411 2.204 ( -10.330 1.065 0.000) 10.384 2.290 ( -3.688 0.421 0.000) 3.712 2.472 ( -15.741 -0.133 0.000) 15.742 2.533 ( 2.626 -0.030 0.000) 2.626 2.584 ( -9.948 0.123 0.000) 9.948 3.063 ( -0.417 0.245 0.000) 0.484 3.527 ( 2.114 0.160 0.000) 2.120 3.629 ( -0.629 -0.011 0.000) 0.629 3.681 ( -3.745 0.065 0.000) 3.746 3.750 ( -2.479 0.082 0.000) 2.480 3.907 ( -2.473 -0.105 0.000) 2.475 3.965 ( 5.363 0.058 0.000) 5.363 4.078 ( 14.035 0.897 0.000) 14.064 4.099 ( 1.142 0.014 0.000) 1.142 4.408 ( -10.365 -2.028 0.000) 10.561 4.800 ( -0.498 -0.080 0.000) 0.505 4.958 ( -2.711 -0.042 0.000) 2.711 5.008 ( -0.360 -0.027 0.000) 0.361 5.246 ( -2.681 -0.059 0.000) 2.682 5.293 ( 2.749 -0.091 0.000) 2.751 5.450 ( -5.005 -0.979 0.000) 5.100 5.794 ( 9.427 0.075 0.000) 9.428 6.217 ( 1.545 1.249 0.000) 1.987 6.231 ( 0.247 -1.350 0.000) 1.373 ======================= Grid point 56 (37/129) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 0.153 8.194 0.000) 8.196 0.875 ( -7.399 5.644 0.000) 9.306 0.964 ( -4.349 -2.064 0.000) 4.814 0.993 ( -7.168 -5.125 0.000) 8.811 1.147 ( -5.541 -6.397 0.000) 8.464 1.314 ( -5.700 -0.634 0.000) 5.735 1.540 ( 1.413 -1.447 0.000) 2.022 1.591 ( -0.870 0.377 0.000) 0.948 1.611 ( -8.100 2.582 0.000) 8.502 1.744 ( -1.952 1.724 0.000) 2.604 1.755 ( -8.368 0.082 0.000) 8.368 1.770 ( -6.778 -1.437 0.000) 6.929 2.040 ( -4.335 0.158 0.000) 4.338 2.195 ( -5.624 0.011 0.000) 5.624 2.231 ( -7.280 -0.147 0.000) 7.281 2.372 ( -10.797 0.136 0.000) 10.798 2.573 ( 1.404 -0.213 0.000) 1.421 3.057 ( 0.149 0.515 0.000) 0.536 3.504 ( -2.993 0.150 0.000) 2.997 3.556 ( -8.474 0.166 0.000) 8.476 3.642 ( 0.967 -0.069 0.000) 0.969 3.668 ( -5.721 0.926 0.000) 5.796 3.878 ( -0.546 -0.128 0.000) 0.561 4.089 ( 6.592 0.374 0.000) 6.603 4.102 ( -13.838 -3.068 0.000) 14.174 4.168 ( 0.611 0.829 0.000) 1.030 4.359 ( 9.810 -3.283 0.000) 10.344 4.796 ( 0.098 -0.262 0.000) 0.279 4.935 ( 0.135 0.110 0.000) 0.175 5.002 ( -0.120 0.302 0.000) 0.325 5.174 ( -4.457 -0.238 0.000) 4.463 5.302 ( -5.927 -1.779 0.000) 6.188 5.380 ( 1.065 -0.560 0.000) 1.203 5.989 ( 10.208 0.468 0.000) 10.219 6.198 ( -1.138 -0.301 0.000) 1.177 6.288 ( 3.129 0.182 0.000) 3.134 ======================= Grid point 57 (38/129) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -13.976 4.937 0.000) 14.823 0.726 ( -3.733 13.078 0.000) 13.600 0.905 ( -2.640 -2.531 0.000) 3.657 1.005 ( -7.187 1.126 0.000) 7.274 1.008 ( 1.522 -4.887 0.000) 5.119 1.267 ( 0.619 1.633 0.000) 1.746 1.429 ( -7.020 -0.684 0.000) 7.053 1.498 ( -4.788 5.419 0.000) 7.231 1.549 ( -9.493 0.179 0.000) 9.495 1.580 ( -0.756 0.373 0.000) 0.843 1.696 ( -1.439 -5.768 0.000) 5.945 1.794 ( 4.621 -1.175 0.000) 4.768 2.037 ( 0.597 -0.348 0.000) 0.691 2.089 ( -3.157 -2.561 0.000) 4.064 2.170 ( -0.384 0.010 0.000) 0.384 2.193 ( -5.436 -0.956 0.000) 5.520 2.595 ( 0.672 -0.487 0.000) 0.830 3.066 ( 0.976 0.587 0.000) 1.139 3.383 ( -7.697 0.201 0.000) 7.700 3.444 ( -2.495 0.071 0.000) 2.496 3.527 ( -7.109 1.074 0.000) 7.189 3.654 ( 0.261 -0.239 0.000) 0.354 3.694 ( -26.790 -8.036 0.000) 27.969 3.876 ( 0.099 -0.030 0.000) 0.103 4.196 ( 4.084 0.774 0.000) 4.157 4.231 ( 3.344 1.272 0.000) 3.578 4.544 ( 6.489 -3.066 0.000) 7.177 4.805 ( 0.423 -0.481 0.000) 0.641 4.951 ( 1.313 0.436 0.000) 1.383 5.000 ( 0.199 0.892 0.000) 0.914 5.085 ( -4.134 -0.196 0.000) 4.139 5.158 ( -7.853 -1.937 0.000) 8.088 5.423 ( 1.886 -0.067 0.000) 1.887 6.174 ( 8.017 0.539 0.000) 8.035 6.183 ( -0.613 -0.803 0.000) 1.010 6.338 ( 1.978 0.784 0.000) 2.128 ======================= Grid point 58 (39/129) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 0.000 6.682 0.000) 6.682 0.588 ( 0.000 10.175 0.000) 10.175 0.891 ( -0.000 -2.656 0.000) 2.656 0.895 ( 0.000 15.703 0.000) 15.703 1.060 ( -0.000 -6.124 0.000) 6.124 1.276 ( 0.000 1.768 0.000) 1.768 1.368 ( -0.000 -4.088 0.000) 4.088 1.395 ( 0.000 7.905 0.000) 7.905 1.436 ( 0.000 0.133 0.000) 0.133 1.574 ( 0.000 0.791 0.000) 0.791 1.728 ( -0.000 -6.987 0.000) 6.987 1.870 ( -0.000 -1.683 0.000) 1.683 1.990 ( -0.000 -2.477 0.000) 2.477 2.072 ( 0.000 0.119 0.000) 0.119 2.172 ( 0.000 0.080 0.000) 0.080 2.262 ( -0.000 -8.488 0.000) 8.488 2.604 ( -0.000 -0.679 0.000) 0.679 3.077 ( 0.000 0.467 0.000) 0.467 3.297 ( 0.000 0.275 0.000) 0.275 3.301 ( 0.000 0.341 0.000) 0.341 3.418 ( 0.000 0.006 0.000) 0.006 3.458 ( 0.000 0.054 0.000) 0.054 3.658 ( -0.000 -0.378 0.000) 0.378 3.877 ( 0.000 0.014 0.000) 0.014 4.232 ( 0.000 1.050 0.000) 1.050 4.260 ( 0.000 1.618 0.000) 1.618 4.632 ( -0.000 -4.186 0.000) 4.186 4.813 ( -0.000 -0.634 0.000) 0.634 4.969 ( 0.000 0.079 0.000) 0.079 5.000 ( 0.000 1.102 0.000) 1.102 5.037 ( 0.000 0.098 0.000) 0.098 5.066 ( 0.000 0.131 0.000) 0.131 5.443 ( -0.000 -0.001 0.000) 0.001 6.183 ( -0.000 -1.150 0.000) 1.150 6.262 ( -0.000 -0.065 0.000) 0.065 6.353 ( 0.000 1.207 0.000) 1.207 ======================= Grid point 67 (40/129) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 3.035 -0.000 0.000) 3.035 0.927 ( 1.771 -0.000 0.000) 1.771 0.944 ( -16.793 0.000 0.000) 16.793 0.953 ( -4.067 0.000 0.000) 4.067 1.103 ( -6.973 0.000 0.000) 6.973 1.312 ( -4.891 0.000 0.000) 4.891 1.530 ( 2.747 -0.000 0.000) 2.747 1.593 ( -0.821 0.000 0.000) 0.821 1.626 ( -8.354 0.000 0.000) 8.354 1.754 ( -2.121 0.000 0.000) 2.121 1.756 ( -8.457 0.000 0.000) 8.457 1.761 ( -7.743 0.000 0.000) 7.743 2.040 ( -4.915 0.000 0.000) 4.915 2.195 ( -5.954 0.000 0.000) 5.954 2.230 ( -7.222 0.000 0.000) 7.222 2.373 ( -10.855 0.000 0.000) 10.855 2.571 ( 1.361 -0.000 0.000) 1.361 3.059 ( 0.137 -0.000 0.000) 0.137 3.505 ( -3.027 0.000 0.000) 3.027 3.557 ( -8.497 0.000 0.000) 8.497 3.642 ( 0.950 -0.000 0.000) 0.950 3.673 ( -5.522 0.000 0.000) 5.522 3.877 ( -0.509 0.000 0.000) 0.509 4.085 ( -16.362 0.000 0.000) 16.362 4.091 ( 6.656 -0.000 0.000) 6.656 4.173 ( 0.496 -0.000 0.000) 0.496 4.341 ( 11.425 -0.000 0.000) 11.425 4.795 ( 0.070 -0.000 0.000) 0.070 4.935 ( 0.211 -0.000 0.000) 0.211 5.004 ( -0.006 0.000 0.000) 0.006 5.172 ( -4.466 0.000 0.000) 4.466 5.293 ( -6.343 0.000 0.000) 6.343 5.377 ( 1.586 -0.000 0.000) 1.586 5.991 ( 10.247 -0.000 0.000) 10.247 6.196 ( -1.265 0.000 0.000) 1.265 6.289 ( 3.285 -0.000 0.000) 3.285 ======================= Grid point 69 (41/129) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -14.207 2.009 0.000) 14.348 0.847 ( -9.455 8.646 0.000) 12.813 0.885 ( -2.776 -1.051 0.000) 2.968 0.972 ( 1.982 -1.906 0.000) 2.750 0.983 ( 2.894 -4.129 0.000) 5.042 1.280 ( 0.844 0.700 0.000) 1.096 1.430 ( -9.104 0.429 0.000) 9.114 1.550 ( -1.194 3.901 0.000) 4.079 1.550 ( -9.964 0.048 0.000) 9.964 1.583 ( -0.279 0.132 0.000) 0.308 1.640 ( -3.940 -4.206 0.000) 5.763 1.787 ( 3.958 -0.275 0.000) 3.968 2.035 ( 2.842 -0.058 0.000) 2.843 2.067 ( -5.999 -1.378 0.000) 6.156 2.170 ( -0.350 -0.004 0.000) 0.350 2.186 ( -6.869 -0.353 0.000) 6.879 2.591 ( 0.621 -0.179 0.000) 0.647 3.070 ( 0.893 0.209 0.000) 0.917 3.384 ( -7.688 0.074 0.000) 7.689 3.445 ( -2.539 0.025 0.000) 2.539 3.539 ( -7.115 0.875 0.000) 7.169 3.635 ( -25.337 -3.062 0.000) 25.521 3.652 ( 0.212 -0.089 0.000) 0.230 3.876 ( 0.140 -0.005 0.000) 0.140 4.201 ( 4.138 0.278 0.000) 4.147 4.242 ( 3.546 0.595 0.000) 3.596 4.520 ( 6.197 -1.278 0.000) 6.327 4.801 ( 0.392 -0.179 0.000) 0.430 4.954 ( 1.292 0.148 0.000) 1.300 5.007 ( 0.312 0.343 0.000) 0.464 5.084 ( -4.033 -0.089 0.000) 4.034 5.145 ( -6.993 -0.562 0.000) 7.016 5.423 ( 1.941 -0.023 0.000) 1.941 6.177 ( 7.778 0.150 0.000) 7.779 6.178 ( -0.672 -0.273 0.000) 0.725 6.344 ( 2.086 0.269 0.000) 2.103 ======================= Grid point 70 (42/129) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 0.000 3.839 0.000) 3.839 0.674 ( 0.000 5.911 0.000) 5.911 0.865 ( -0.000 -2.092 0.000) 2.092 1.010 ( -0.000 -3.245 0.000) 3.245 1.028 ( 0.000 9.167 0.000) 9.167 1.292 ( 0.000 1.156 0.000) 1.156 1.330 ( -0.000 -2.918 0.000) 2.918 1.437 ( 0.000 0.076 0.000) 0.076 1.481 ( 0.000 8.243 0.000) 8.243 1.580 ( 0.000 0.345 0.000) 0.345 1.650 ( -0.000 -7.696 0.000) 7.696 1.855 ( -0.000 -1.011 0.000) 1.011 1.971 ( -0.000 -1.131 0.000) 1.131 2.073 ( 0.000 0.063 0.000) 0.063 2.172 ( 0.000 0.023 0.000) 0.023 2.183 ( -0.000 -5.991 0.000) 5.991 2.599 ( -0.000 -0.395 0.000) 0.395 3.081 ( 0.000 0.264 0.000) 0.264 3.300 ( 0.000 0.161 0.000) 0.161 3.304 ( 0.000 0.200 0.000) 0.200 3.418 ( 0.000 0.002 0.000) 0.002 3.459 ( 0.000 0.029 0.000) 0.029 3.655 ( -0.000 -0.221 0.000) 0.221 3.877 ( 0.000 0.025 0.000) 0.025 4.241 ( 0.000 0.589 0.000) 0.589 4.276 ( 0.000 1.291 0.000) 1.291 4.594 ( -0.000 -2.797 0.000) 2.797 4.807 ( -0.000 -0.374 0.000) 0.374 4.970 ( 0.000 0.065 0.000) 0.065 5.009 ( 0.000 0.631 0.000) 0.631 5.038 ( 0.000 0.057 0.000) 0.057 5.067 ( 0.000 0.075 0.000) 0.075 5.443 ( 0.000 0.002 0.000) 0.002 6.173 ( -0.000 -0.591 0.000) 0.591 6.261 ( -0.000 -0.036 0.000) 0.036 6.363 ( 0.000 0.632 0.000) 0.632 ======================= Grid point 82 (43/129) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 0.000 0.000 0.000) 0.000 0.706 ( 0.000 0.000 0.000) 0.000 0.853 ( 0.000 0.000 0.000) 0.000 0.993 ( -0.000 -0.000 0.000) 0.000 1.078 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 0.000 0.000) 0.000 1.312 ( -0.000 -0.000 0.000) 0.000 1.438 ( 0.000 0.000 0.000) 0.000 1.564 ( 0.000 0.000 0.000) 0.000 1.569 ( -0.000 -0.000 0.000) 0.000 1.581 ( 0.000 0.000 0.000) 0.000 1.850 ( 0.000 0.000 0.000) 0.000 1.966 ( 0.000 0.000 0.000) 0.000 2.074 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.172 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.805 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 6.170 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/129) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.203 ( 0.000 0.000 11.675) 11.675 0.355 ( 0.000 0.000 18.917) 18.917 0.603 ( 0.000 0.000 28.222) 28.222 0.890 ( 0.000 0.000 -5.353) 5.353 1.144 ( 0.000 0.000 -7.733) 7.733 1.237 ( 0.000 0.000 5.582) 5.582 1.294 ( 0.000 0.000 -3.405) 3.405 1.445 ( 0.000 0.000 1.081) 1.081 1.477 ( 0.000 0.000 -0.193) 0.193 1.623 ( 0.000 0.000 3.549) 3.549 1.778 ( 0.000 0.000 -1.799) 1.799 1.940 ( 0.000 0.000 1.561) 1.561 2.054 ( 0.000 0.000 -1.359) 1.359 2.095 ( 0.000 0.000 0.588) 0.588 2.111 ( 0.000 0.000 -6.352) 6.352 2.166 ( 0.000 0.000 -1.235) 1.235 2.723 ( 0.000 0.000 0.002) 0.002 2.961 ( 0.000 0.000 -8.739) 8.739 3.290 ( 0.000 0.000 0.237) 0.237 3.292 ( 0.000 0.000 0.205) 0.205 3.420 ( 0.000 0.000 0.302) 0.302 3.451 ( 0.000 0.000 -0.482) 0.482 3.899 ( 0.000 0.000 1.974) 1.974 4.098 ( 0.000 0.000 -5.418) 5.418 4.323 ( 0.000 0.000 6.004) 6.004 4.576 ( 0.000 0.000 -2.697) 2.697 4.857 ( 0.000 0.000 2.477) 2.477 4.937 ( 0.000 0.000 1.778) 1.778 4.965 ( 0.000 0.000 1.069) 1.069 5.035 ( 0.000 0.000 0.199) 0.199 5.045 ( 0.000 0.000 -2.357) 2.357 5.058 ( 0.000 0.000 -0.362) 0.362 5.472 ( 0.000 0.000 3.234) 3.234 5.890 ( 0.000 0.000 -8.421) 8.421 6.308 ( 0.000 0.000 4.720) 4.720 6.485 ( 0.000 0.000 -1.292) 1.292 ======================= Grid point 152 (45/129) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 13.337 -1.284 7.014) 15.124 0.498 ( 11.658 -3.018 11.862) 16.903 0.814 ( 13.951 -2.375 10.110) 17.392 0.981 ( 11.306 -0.509 4.570) 12.206 1.165 ( 0.281 0.117 -7.640) 7.646 1.254 ( 1.840 1.269 4.214) 4.770 1.300 ( 2.932 -1.424 -0.366) 3.280 1.532 ( 4.746 0.778 0.138) 4.811 1.547 ( 8.201 0.342 -1.424) 8.331 1.585 ( -0.273 0.105 4.753) 4.762 1.769 ( -0.557 -0.180 -1.346) 1.468 1.958 ( 1.022 1.356 1.448) 2.231 2.019 ( -2.676 0.220 -0.446) 2.722 2.112 ( 0.681 0.174 -5.204) 5.251 2.160 ( 3.957 0.437 -1.008) 4.107 2.165 ( 2.966 -0.641 -1.286) 3.295 2.663 ( -2.619 0.011 3.131) 4.082 2.948 ( -1.108 -0.450 -8.415) 8.499 3.374 ( 7.517 -0.098 0.028) 7.518 3.444 ( 2.410 -0.048 0.306) 2.430 3.490 ( 8.119 0.509 -7.823) 11.286 3.499 ( 5.090 -0.616 -2.751) 5.818 3.901 ( 0.170 0.060 2.006) 2.014 4.072 ( -3.200 -0.081 -4.222) 5.299 4.297 ( -2.286 0.421 4.883) 5.408 4.483 ( -7.473 3.422 -0.632) 8.243 4.687 ( -7.591 1.912 8.771) 11.756 4.833 ( -1.489 0.002 0.576) 1.597 4.934 ( -0.243 -0.470 1.594) 1.680 4.972 ( 0.575 -0.337 0.836) 1.069 5.106 ( 5.447 0.071 1.815) 5.742 5.429 ( 6.753 4.935 -7.609) 11.307 5.462 ( 3.131 1.798 -1.569) 3.937 5.869 ( -3.006 -2.851 -8.759) 9.689 6.305 ( -0.431 -0.353 3.989) 4.027 6.382 ( -5.894 0.759 4.801) 7.640 ======================= Grid point 153 (46/129) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 15.207 1.700 4.609) 15.981 0.744 ( 9.977 -2.214 4.964) 11.362 1.034 ( 9.679 -0.633 -2.911) 10.127 1.130 ( -2.101 1.209 -4.106) 4.768 1.311 ( 6.151 1.306 8.742) 10.769 1.335 ( 16.897 -2.062 4.717) 17.664 1.431 ( 7.326 -4.157 -1.726) 8.598 1.601 ( 3.351 0.153 2.721) 4.319 1.654 ( 5.466 3.253 1.556) 6.548 1.676 ( 4.432 1.071 -2.929) 5.420 1.793 ( 3.272 0.124 0.116) 3.277 1.916 ( -2.926 3.705 0.466) 4.744 1.978 ( -1.975 -2.238 -0.613) 3.047 2.173 ( 2.994 -1.065 1.738) 3.622 2.217 ( 8.594 -0.023 -2.928) 9.079 2.333 ( 9.552 -0.234 -2.415) 9.855 2.622 ( -1.677 0.014 3.077) 3.504 2.938 ( 0.059 -0.761 -7.973) 8.009 3.501 ( 2.819 -0.221 0.883) 2.963 3.541 ( 8.130 -0.234 -0.482) 8.148 3.595 ( 3.537 -0.040 -3.716) 5.130 3.604 ( 4.894 -0.605 -2.643) 5.595 3.902 ( -0.175 0.225 1.051) 1.089 3.976 ( -5.890 -0.298 -3.811) 7.022 4.237 ( -3.383 0.253 4.463) 5.606 4.286 ( -10.833 0.805 0.508) 10.875 4.621 ( 0.362 2.806 4.947) 5.699 4.815 ( -0.270 0.209 -0.158) 0.376 4.939 ( 0.648 -0.177 1.249) 1.418 4.990 ( 1.022 -0.229 0.164) 1.060 5.210 ( 4.625 0.221 2.587) 5.304 5.392 ( -3.161 0.266 2.850) 4.265 5.551 ( 3.944 5.837 -7.091) 9.995 5.799 ( -5.388 -2.706 -7.752) 9.821 6.286 ( -3.737 0.422 4.429) 5.810 6.297 ( -0.414 0.086 2.376) 2.413 ======================= Grid point 154 (47/129) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 3.080 -0.605 1.863) 3.650 0.954 ( 14.194 4.100 3.484) 15.180 1.071 ( -1.901 1.328 -2.383) 3.325 1.255 ( 10.870 0.497 -2.376) 11.138 1.445 ( 9.193 2.101 4.140) 10.299 1.571 ( 4.597 -1.205 2.417) 5.332 1.582 ( 4.774 -2.475 -2.017) 5.743 1.653 ( -0.280 4.534 -0.883) 4.627 1.662 ( 2.268 2.979 -0.501) 3.777 1.775 ( 2.790 0.508 2.887) 4.047 1.836 ( -0.343 -0.116 1.026) 1.088 1.876 ( 1.574 -0.463 -0.893) 1.868 2.057 ( 10.225 -5.726 4.499) 12.553 2.224 ( 1.989 -2.205 1.578) 3.363 2.474 ( 2.006 -0.090 -4.081) 4.548 2.484 ( 15.939 0.317 -0.950) 15.970 2.629 ( 4.464 -0.222 4.014) 6.008 2.959 ( 1.362 -0.751 -7.425) 7.586 3.524 ( -1.793 -0.520 1.961) 2.708 3.633 ( 1.683 -0.058 0.281) 1.707 3.667 ( 4.422 -0.161 -0.578) 4.462 3.709 ( 4.259 -0.496 -2.734) 5.085 3.869 ( -4.001 0.220 -3.744) 5.484 3.879 ( -3.613 -0.303 -4.773) 5.994 4.084 ( -7.351 -0.223 4.776) 8.769 4.179 ( -2.083 0.048 4.804) 5.236 4.632 ( 1.640 2.741 3.447) 4.699 4.817 ( 0.335 0.249 0.263) 0.493 4.969 ( 2.568 0.126 0.349) 2.595 5.008 ( 0.679 0.041 -0.512) 0.852 5.277 ( 2.268 0.238 2.591) 3.451 5.328 ( -2.998 0.073 3.112) 4.322 5.571 ( 1.033 4.160 -5.016) 6.598 5.695 ( -6.052 -1.721 -6.218) 8.846 6.220 ( -2.840 0.139 3.421) 4.448 6.291 ( -0.056 0.697 0.885) 1.128 ======================= Grid point 155 (48/129) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.271 0.240 1.129) 1.186 1.017 ( -2.373 0.104 -1.529) 2.825 1.191 ( 11.048 5.679 3.651) 12.947 1.419 ( 4.765 5.698 -1.697) 7.619 1.516 ( -1.832 5.372 -0.873) 5.742 1.581 ( -0.720 3.365 2.483) 4.243 1.640 ( 7.242 2.950 1.425) 7.949 1.710 ( 4.770 -1.189 -0.143) 4.918 1.726 ( 4.325 -1.001 -0.232) 4.445 1.808 ( 1.240 -3.454 0.620) 3.722 1.842 ( 0.222 -3.060 1.574) 3.449 1.908 ( -0.449 -4.735 0.216) 4.761 2.278 ( 2.243 -1.880 -0.721) 3.015 2.320 ( 10.283 -3.501 4.572) 11.786 2.429 ( -3.979 0.010 -1.603) 4.289 2.761 ( 6.714 -0.520 2.844) 7.310 2.794 ( 14.171 0.236 -0.754) 14.193 2.988 ( 1.064 -0.376 -6.730) 6.824 3.441 ( -5.537 -0.423 2.250) 5.991 3.668 ( 1.426 0.088 0.904) 1.691 3.687 ( -7.404 -0.686 -5.032) 8.978 3.745 ( 1.921 -0.075 0.260) 1.940 3.786 ( 0.775 0.445 -1.890) 2.090 3.854 ( 0.501 0.055 -3.063) 3.104 4.025 ( -0.528 0.008 5.471) 5.497 4.172 ( 1.732 0.029 3.468) 3.877 4.635 ( -0.718 1.632 3.118) 3.592 4.818 ( -0.191 0.182 0.181) 0.320 5.022 ( 1.334 0.182 -0.314) 1.383 5.045 ( 5.020 0.170 -0.645) 5.064 5.275 ( -2.299 0.110 2.919) 3.717 5.299 ( 0.072 0.044 2.329) 2.331 5.543 ( -3.221 1.258 -3.846) 5.171 5.597 ( -3.240 0.684 -5.303) 6.252 6.172 ( -1.989 -0.009 3.012) 3.609 6.287 ( 0.006 0.845 -0.350) 0.915 ======================= Grid point 156 (49/129) ======================= q-point: ( 0.42 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.339 0.258 0.901) 0.996 0.971 ( -2.314 -0.525 -0.744) 2.487 1.281 ( -0.537 5.739 3.992) 7.012 1.401 ( 3.250 4.755 1.199) 5.883 1.492 ( -1.175 4.522 -1.298) 4.849 1.580 ( 1.896 1.088 1.037) 2.420 1.719 ( 1.336 -0.685 -0.047) 1.502 1.759 ( 2.733 1.691 0.840) 3.322 1.831 ( 0.268 -1.002 2.878) 3.059 1.875 ( 1.321 -3.583 -0.515) 3.853 1.891 ( 3.587 -3.325 -0.077) 4.892 1.935 ( 4.592 -2.752 1.130) 5.472 2.296 ( -6.950 -0.435 -3.955) 8.009 2.324 ( 1.278 -0.958 -2.279) 2.783 2.501 ( 4.607 -1.253 4.910) 6.849 2.868 ( 3.550 -0.445 3.615) 5.086 2.995 ( 1.779 0.086 -6.220) 6.470 3.019 ( 6.013 -0.055 -1.021) 6.099 3.349 ( -3.397 -0.150 1.673) 3.790 3.543 ( -5.526 -0.623 -4.020) 6.862 3.686 ( 0.442 0.123 0.784) 0.909 3.795 ( 1.179 0.471 -1.812) 2.212 3.811 ( 3.043 0.339 1.090) 3.250 3.873 ( 0.997 0.114 -0.029) 1.004 4.012 ( -1.206 -0.033 4.933) 5.078 4.247 ( 5.407 0.034 0.312) 5.416 4.577 ( -4.383 0.492 3.720) 5.770 4.808 ( -0.600 0.070 -0.531) 0.804 5.067 ( 3.228 0.119 0.626) 3.290 5.163 ( 6.705 0.060 -1.329) 6.835 5.226 ( -2.651 0.082 2.077) 3.369 5.292 ( -0.615 -0.054 2.267) 2.349 5.437 ( -6.346 0.026 -2.954) 7.000 5.558 ( -0.834 1.252 -4.855) 5.083 6.142 ( -1.031 -0.042 2.867) 3.047 6.282 ( -0.047 0.549 -1.102) 1.232 ======================= Grid point 157 (50/129) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.000 -0.000 0.916) 0.916 0.943 ( 0.000 -0.000 -0.416) 0.416 1.240 ( 0.000 -0.000 3.876) 3.876 1.445 ( -0.000 -0.000 -1.980) 1.980 1.455 ( 0.000 -0.000 2.606) 2.606 1.595 ( 0.000 -0.000 2.113) 2.113 1.727 ( 0.000 -0.000 -0.310) 0.310 1.794 ( 0.000 0.000 -0.582) 0.582 1.830 ( 0.000 -0.000 4.182) 4.182 1.889 ( 0.000 -0.000 -0.300) 0.300 1.918 ( 0.000 -0.000 -0.507) 0.507 2.065 ( 0.000 -0.000 3.355) 3.355 2.178 ( 0.000 -0.000 -6.702) 6.702 2.341 ( 0.000 -0.000 -2.574) 2.574 2.547 ( 0.000 -0.000 3.968) 3.968 2.902 ( 0.000 -0.000 3.295) 3.295 3.002 ( 0.000 -0.000 -5.654) 5.654 3.088 ( 0.000 -0.000 -0.827) 0.827 3.316 ( 0.000 -0.000 1.456) 1.456 3.490 ( 0.000 -0.000 -3.593) 3.593 3.689 ( 0.000 -0.000 0.702) 0.702 3.800 ( 0.000 -0.000 -2.533) 2.533 3.859 ( 0.000 -0.000 1.243) 1.243 3.883 ( 0.000 -0.000 1.199) 1.199 3.990 ( 0.000 -0.000 5.652) 5.652 4.329 ( -0.000 -0.000 -3.379) 3.379 4.505 ( 0.000 -0.000 6.269) 6.269 4.801 ( 0.000 -0.000 -0.924) 0.924 5.119 ( 0.000 -0.000 1.519) 1.519 5.181 ( 0.000 -0.000 1.293) 1.293 5.284 ( 0.000 -0.000 2.043) 2.043 5.300 ( -0.000 -0.000 -1.447) 1.447 5.306 ( 0.000 -0.000 -2.536) 2.536 5.546 ( 0.000 -0.000 -4.783) 4.783 6.132 ( 0.000 -0.000 2.829) 2.829 6.280 ( 0.000 -0.000 -1.350) 1.350 ======================= Grid point 165 (51/129) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 15.863 -0.000 4.303) 16.436 0.730 ( 10.675 -0.000 5.078) 11.821 1.029 ( 10.443 -0.000 -2.529) 10.745 1.137 ( -2.573 0.000 -4.771) 5.420 1.311 ( 13.713 -0.000 16.571) 21.510 1.335 ( 9.563 -0.000 -3.723) 10.262 1.404 ( 7.120 -0.000 -1.209) 7.222 1.601 ( 3.445 -0.000 3.274) 4.753 1.676 ( 7.966 -0.000 3.091) 8.545 1.678 ( 3.153 -0.000 -4.297) 5.330 1.793 ( 3.243 -0.000 0.197) 3.249 1.950 ( -3.616 0.000 -0.162) 3.619 1.952 ( -2.740 0.000 -0.346) 2.762 2.166 ( 2.367 -0.000 1.972) 3.080 2.218 ( 8.959 -0.000 -3.043) 9.462 2.332 ( 9.549 -0.000 -2.423) 9.852 2.622 ( -1.678 0.000 2.982) 3.421 2.934 ( 0.101 -0.000 -8.066) 8.066 3.499 ( 2.775 -0.000 0.859) 2.905 3.540 ( 8.146 -0.000 -0.535) 8.163 3.595 ( 2.752 -0.000 -4.216) 5.034 3.600 ( 5.657 -0.000 -2.288) 6.102 3.903 ( -0.142 0.000 1.058) 1.068 3.974 ( -5.892 0.000 -3.771) 6.995 4.238 ( -3.447 0.000 4.796) 5.906 4.290 ( -11.567 0.000 -0.080) 11.567 4.636 ( 0.198 -0.000 4.711) 4.715 4.817 ( -0.267 0.000 -0.157) 0.309 4.938 ( 0.751 -0.000 1.234) 1.444 4.989 ( 1.129 -0.000 0.122) 1.136 5.211 ( 4.623 -0.000 2.653) 5.330 5.394 ( -3.272 0.000 2.917) 4.383 5.586 ( 2.971 -0.000 -9.096) 9.569 5.782 ( -5.012 0.000 -6.580) 8.271 6.288 ( -3.918 0.000 4.483) 5.954 6.298 ( -0.185 0.000 2.543) 2.549 ======================= Grid point 166 (52/129) ======================= q-point: ( 0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 3.678 -0.244 1.932) 4.162 0.989 ( 14.695 1.938 3.317) 15.189 1.080 ( -2.638 0.466 -2.622) 3.748 1.256 ( 12.019 -0.044 -1.748) 12.145 1.467 ( 9.300 1.590 3.914) 10.215 1.545 ( 6.036 -2.029 -1.081) 6.459 1.565 ( 6.267 -1.048 0.875) 6.414 1.680 ( 3.504 0.882 0.919) 3.728 1.697 ( 0.394 2.442 -2.591) 3.582 1.785 ( -1.188 0.813 2.418) 2.815 1.838 ( -0.766 0.188 1.022) 1.291 1.877 ( -2.026 0.459 -0.746) 2.207 2.006 ( 12.182 -3.276 5.535) 13.776 2.207 ( 2.098 -0.924 1.674) 2.839 2.473 ( 1.959 -0.043 -4.066) 4.513 2.486 ( 16.107 0.122 -1.017) 16.139 2.628 ( 4.292 -0.081 4.028) 5.886 2.953 ( 1.520 -0.275 -7.474) 7.632 3.520 ( -1.810 -0.193 1.917) 2.644 3.633 ( 1.767 -0.019 0.203) 1.779 3.666 ( 4.541 -0.063 -0.541) 4.573 3.705 ( 4.353 -0.179 -2.881) 5.223 3.871 ( -4.334 0.190 -3.724) 5.717 3.876 ( -3.371 -0.219 -4.866) 5.923 4.083 ( -7.329 -0.059 4.913) 8.823 4.179 ( -2.090 0.012 4.909) 5.335 4.652 ( 1.088 0.961 3.080) 3.405 4.819 ( 0.304 0.091 0.314) 0.447 4.970 ( 2.658 0.048 0.313) 2.677 5.009 ( 0.734 0.017 -0.567) 0.928 5.279 ( 2.222 0.082 2.655) 3.463 5.329 ( -3.045 0.021 3.116) 4.357 5.608 ( 0.283 2.360 -6.399) 6.826 5.677 ( -5.767 -1.436 -5.464) 8.073 6.221 ( -2.919 0.073 3.731) 4.738 6.296 ( 0.016 0.246 0.909) 0.941 ======================= Grid point 167 (53/129) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 0.385 0.132 1.015) 1.093 1.018 ( -2.863 0.031 -1.559) 3.260 1.243 ( 11.348 3.911 3.343) 12.460 1.463 ( 7.936 2.587 -1.299) 8.447 1.573 ( -2.974 5.027 -0.657) 5.878 1.610 ( 1.004 1.908 3.410) 4.034 1.675 ( 7.096 2.904 -1.235) 7.766 1.699 ( 2.030 -0.365 0.897) 2.249 1.719 ( 3.449 0.243 -0.464) 3.489 1.770 ( 1.493 -3.412 0.291) 3.736 1.807 ( -0.682 -4.290 -0.074) 4.344 1.865 ( -1.511 -2.778 2.676) 4.143 2.262 ( 2.732 -1.128 -0.803) 3.063 2.290 ( 11.438 -2.177 4.936) 12.646 2.429 ( -4.038 0.005 -1.513) 4.312 2.757 ( 6.618 -0.295 2.952) 7.253 2.796 ( 14.160 0.137 -0.858) 14.187 2.985 ( 1.279 -0.211 -6.737) 6.860 3.438 ( -5.390 -0.245 2.261) 5.850 3.669 ( 1.476 0.057 0.934) 1.748 3.681 ( -7.700 -0.424 -5.015) 9.199 3.744 ( 2.353 -0.028 0.516) 2.409 3.790 ( 0.912 0.254 -2.001) 2.214 3.855 ( 0.581 0.033 -3.038) 3.093 4.025 ( -0.501 0.017 5.428) 5.451 4.172 ( 1.718 0.010 3.526) 3.922 4.649 ( -1.377 0.924 2.909) 3.349 4.820 ( -0.249 0.106 0.259) 0.374 5.023 ( 1.260 0.115 -0.375) 1.320 5.046 ( 5.060 0.091 -0.653) 5.102 5.276 ( -2.323 0.076 2.835) 3.666 5.300 ( 0.015 -0.005 2.474) 2.474 5.553 ( -5.127 0.668 -3.952) 6.508 5.603 ( -1.673 0.460 -5.698) 5.956 6.172 ( -2.020 0.030 3.360) 3.921 6.294 ( -0.094 0.469 -0.342) 0.588 ======================= Grid point 168 (54/129) ======================= q-point: ( 0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.362 0.263 0.607) 0.754 0.965 ( -2.422 -0.425 -0.633) 2.540 1.341 ( -1.231 5.265 3.755) 6.583 1.452 ( -0.032 4.739 1.102) 4.866 1.539 ( -2.856 4.127 -1.283) 5.181 1.588 ( 1.338 0.581 2.021) 2.492 1.700 ( 0.367 -2.491 -0.371) 2.545 1.771 ( 1.807 -0.957 -0.325) 2.071 1.818 ( 1.908 -0.755 1.836) 2.754 1.844 ( 0.871 -2.174 1.489) 2.775 1.853 ( 3.384 -2.661 -0.001) 4.305 1.919 ( 9.378 -0.756 1.135) 9.476 2.292 ( -6.842 -0.378 -4.200) 8.037 2.315 ( 1.784 -0.781 -2.420) 3.107 2.488 ( 5.141 -1.054 5.263) 7.432 2.865 ( 3.917 -0.172 3.813) 5.469 2.995 ( 1.279 -0.053 -6.520) 6.644 3.018 ( 6.368 -0.028 -0.899) 6.431 3.348 ( -3.290 -0.110 1.710) 3.710 3.537 ( -5.319 -0.476 -3.763) 6.533 3.687 ( 0.415 0.085 0.811) 0.915 3.799 ( 1.364 0.321 -1.479) 2.037 3.815 ( 2.739 0.283 0.726) 2.847 3.874 ( 0.963 0.079 0.068) 0.968 4.012 ( -1.238 -0.011 4.887) 5.041 4.247 ( 5.418 0.020 0.324) 5.427 4.581 ( -4.797 0.354 3.671) 6.051 4.809 ( -0.648 0.052 -0.476) 0.806 5.068 ( 3.178 0.087 0.576) 3.231 5.164 ( 6.641 0.061 -1.357) 6.779 5.227 ( -2.710 0.054 2.069) 3.410 5.291 ( -0.625 -0.067 2.355) 2.437 5.437 ( -6.309 0.061 -2.946) 6.963 5.570 ( -1.337 0.887 -5.166) 5.409 6.142 ( -1.028 -0.013 3.090) 3.257 6.287 ( -0.280 0.392 -1.097) 1.198 ======================= Grid point 169 (55/129) ======================= q-point: ( 0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -0.301 0.257 0.853) 0.941 0.941 ( 0.565 -0.300 -0.376) 0.742 1.252 ( -2.890 2.138 3.940) 5.333 1.440 ( -1.977 -2.133 1.946) 3.499 1.454 ( -3.648 0.943 -1.318) 3.992 1.592 ( -0.743 -0.422 1.792) 1.985 1.725 ( 1.066 -0.189 -0.243) 1.110 1.769 ( -2.424 -3.596 -0.258) 4.345 1.829 ( 0.328 -0.323 4.091) 4.117 1.906 ( 3.596 2.535 -0.337) 4.412 1.929 ( 3.203 1.747 -0.427) 3.673 2.064 ( -0.387 -0.153 3.279) 3.305 2.178 ( 0.595 -0.030 -6.709) 6.736 2.340 ( 0.449 -0.068 -2.607) 2.647 2.545 ( 0.494 -0.366 4.022) 4.069 2.905 ( 0.337 0.541 3.463) 3.521 2.999 ( -0.087 -0.453 -5.835) 5.853 3.089 ( -0.007 0.017 -0.823) 0.823 3.316 ( 0.056 -0.002 1.458) 1.459 3.490 ( 0.365 -0.034 -3.588) 3.606 3.689 ( -0.088 -0.008 0.699) 0.704 3.800 ( -0.359 0.034 -2.545) 2.570 3.859 ( -0.242 0.004 1.245) 1.268 3.883 ( -0.075 -0.006 1.195) 1.197 3.990 ( 0.096 0.019 5.657) 5.658 4.329 ( -0.060 -0.010 -3.378) 3.379 4.505 ( -0.134 -0.007 6.269) 6.271 4.801 ( -0.026 0.002 -0.923) 0.923 5.119 ( -0.056 0.005 1.519) 1.520 5.181 ( -0.066 0.013 1.292) 1.294 5.283 ( 0.276 -0.100 1.928) 1.951 5.300 ( 1.180 -0.011 -1.422) 1.848 5.306 ( -1.460 0.090 -2.445) 2.850 5.546 ( -0.684 0.012 -4.784) 4.833 6.132 ( 0.029 0.001 2.829) 2.829 6.280 ( -0.302 0.000 -1.350) 1.383 ======================= Grid point 170 (56/129) ======================= q-point: (-0.50 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -0.407 -0.162 1.237) 1.312 0.976 ( 2.326 0.483 -0.824) 2.514 1.226 ( -1.675 -4.541 4.416) 6.552 1.354 ( -5.007 -4.193 1.317) 6.663 1.447 ( -0.074 -3.837 -1.435) 4.098 1.566 ( -2.548 -1.556 -0.465) 3.022 1.711 ( -3.388 -1.783 2.178) 4.404 1.751 ( 0.002 0.051 -0.168) 0.176 1.838 ( 0.115 0.450 3.028) 3.063 1.901 ( -7.613 0.964 -0.625) 7.700 1.927 ( -0.763 4.295 0.506) 4.392 1.974 ( 0.719 3.949 0.142) 4.017 2.301 ( 7.069 0.362 -3.757) 8.013 2.334 ( -0.757 0.877 -2.144) 2.436 2.513 ( -3.792 1.036 4.599) 6.050 2.874 ( -3.336 0.715 3.462) 4.861 2.993 ( -2.038 -0.262 -6.020) 6.361 3.019 ( -5.739 0.043 -1.102) 5.845 3.351 ( 3.522 0.149 1.632) 3.885 3.549 ( 5.772 0.586 -4.308) 7.226 3.684 ( -0.473 -0.132 0.749) 0.895 3.789 ( -1.100 -0.493 -2.049) 2.377 3.808 ( -3.286 -0.295 1.342) 3.561 3.872 ( -1.031 -0.121 -0.138) 1.047 4.013 ( 1.170 0.056 4.993) 5.128 4.246 ( -5.398 -0.043 0.297) 5.407 4.571 ( 3.904 -0.502 3.783) 5.459 4.808 ( 0.544 -0.068 -0.593) 0.808 5.065 ( -3.286 -0.119 0.684) 3.359 5.163 ( -6.813 -0.033 -1.311) 6.938 5.226 ( 2.626 -0.095 2.089) 3.356 5.292 ( 0.594 0.010 2.171) 2.251 5.437 ( 6.462 0.058 -2.968) 7.112 5.545 ( 0.170 -1.314 -4.491) 4.682 6.143 ( 1.064 0.072 2.609) 2.818 6.276 ( -0.241 -0.567 -1.104) 1.265 ======================= Grid point 171 (57/129) ======================= q-point: (-0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -0.216 -0.349 1.266) 1.331 1.016 ( 1.497 -0.217 -1.452) 2.096 1.131 ( -9.971 -5.431 4.150) 12.088 1.350 ( -2.025 -6.974 -0.921) 7.320 1.464 ( 0.054 -4.467 -1.805) 4.819 1.541 ( 0.237 -3.966 -0.891) 4.072 1.617 ( -8.160 -1.396 5.453) 9.913 1.721 ( -5.373 0.767 -0.230) 5.432 1.736 ( -3.228 0.885 -0.401) 3.371 1.834 ( -0.508 1.517 1.394) 2.122 1.883 ( -1.709 4.522 1.106) 4.959 1.955 ( -1.203 3.884 -0.639) 4.115 2.299 ( -1.733 2.009 -0.678) 2.738 2.359 ( -8.777 3.750 4.057) 10.371 2.429 ( 3.795 -0.003 -1.643) 4.136 2.767 ( -6.910 0.616 2.686) 7.439 2.791 ( -14.159 -0.274 -0.596) 14.174 2.993 ( -0.750 0.452 -6.712) 6.769 3.446 ( 5.735 0.487 2.232) 6.173 3.667 ( -1.394 -0.098 0.891) 1.658 3.695 ( 6.830 0.699 -4.963) 8.471 3.746 ( -1.124 0.150 -0.239) 1.159 3.781 ( -0.573 -0.517 -1.726) 1.891 3.854 ( -0.393 -0.061 -3.096) 3.122 4.025 ( 0.589 0.031 5.531) 5.562 4.171 ( -1.757 -0.057 3.381) 3.810 4.616 ( -0.240 -1.940 3.437) 3.954 4.816 ( 0.113 -0.208 0.077) 0.249 5.020 ( -1.379 -0.177 -0.239) 1.411 5.043 ( -5.022 -0.222 -0.628) 5.066 5.274 ( 2.293 -0.100 2.987) 3.768 5.299 ( -0.185 -0.126 2.176) 2.188 5.528 ( 0.984 -1.571 -3.597) 4.047 5.590 ( 5.036 -0.647 -4.888) 7.048 6.172 ( 1.988 0.120 2.533) 3.222 6.276 ( -0.167 -1.045 -0.343) 1.112 ======================= Grid point 172 (58/129) ======================= q-point: (-0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -3.409 -0.770 1.428) 3.775 0.917 ( -11.486 -2.021 4.030) 12.339 1.053 ( 0.530 -1.929 -2.110) 2.908 1.245 ( -8.858 -1.422 -2.989) 9.456 1.426 ( -9.359 -1.707 4.773) 10.644 1.540 ( 0.858 -6.230 2.391) 6.728 1.594 ( 1.403 -3.737 -2.814) 4.884 1.626 ( -5.077 1.299 0.413) 5.257 1.647 ( -4.232 1.110 0.394) 4.393 1.782 ( -5.788 1.709 2.179) 6.417 1.840 ( -0.597 0.510 0.926) 1.215 1.884 ( -3.785 0.967 -1.102) 4.059 2.117 ( -10.061 5.517 3.889) 12.116 2.250 ( -2.060 2.438 1.433) 3.499 2.475 ( -3.066 0.025 -3.988) 5.030 2.480 ( -14.689 -0.357 -0.945) 14.723 2.632 ( -4.736 0.305 3.995) 6.203 2.968 ( -1.109 1.024 -7.341) 7.494 3.530 ( 1.751 0.694 2.028) 2.767 3.634 ( -1.517 0.094 0.419) 1.577 3.669 ( -4.230 0.195 -0.648) 4.284 3.715 ( -4.039 0.692 -2.472) 4.785 3.867 ( 3.730 -0.144 -3.602) 5.188 3.882 ( 3.697 0.267 -4.791) 6.058 4.088 ( 7.456 0.498 4.476) 8.710 4.178 ( 2.054 -0.116 4.585) 5.025 4.596 ( -2.727 -4.047 4.216) 6.449 4.814 ( -0.390 -0.338 0.176) 0.545 4.967 ( -2.424 -0.162 0.406) 2.463 5.008 ( -0.560 -0.041 -0.424) 0.704 5.274 ( -2.366 -0.360 2.452) 3.427 5.327 ( 2.905 -0.140 3.117) 4.263 5.526 ( -2.289 -4.317 -3.708) 6.134 5.710 ( 6.672 1.194 -6.510) 9.398 6.219 ( 2.717 -0.032 2.896) 3.971 6.282 ( 0.188 -1.033 0.864) 1.360 ======================= Grid point 173 (59/129) ======================= q-point: (-0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -12.899 0.184 4.850) 13.782 0.773 ( -8.451 3.171 4.672) 10.164 1.032 ( -7.018 -1.270 -3.467) 7.930 1.118 ( -0.056 -0.909 -2.235) 2.413 1.293 ( -4.978 -1.701 4.299) 6.794 1.372 ( -17.345 4.175 9.629) 20.273 1.480 ( -7.202 4.808 -1.787) 8.842 1.590 ( -3.507 -2.649 0.266) 4.403 1.620 ( -3.033 -2.227 2.421) 4.475 1.657 ( -3.946 -2.135 -3.445) 5.657 1.790 ( -3.354 -0.349 -0.136) 3.375 1.876 ( 1.525 -3.595 1.371) 4.139 1.999 ( -0.263 1.796 -0.702) 1.947 2.184 ( -5.075 0.755 0.822) 5.197 2.219 ( -7.234 0.368 -2.214) 7.574 2.337 ( -9.560 0.358 -2.406) 9.865 2.622 ( 1.668 -0.023 3.339) 3.732 2.949 ( 0.043 1.271 -7.734) 7.838 3.504 ( -2.935 0.362 0.940) 3.103 3.544 ( -8.089 0.391 -0.350) 8.106 3.597 ( -3.916 0.328 -3.351) 5.164 3.611 ( -4.588 0.863 -2.621) 5.354 3.899 ( 0.261 -0.336 1.042) 1.126 3.980 ( 5.898 0.473 -3.935) 7.106 4.230 ( 2.951 -1.283 3.227) 4.557 4.277 ( 8.917 -0.596 2.467) 9.272 4.579 ( -0.575 -5.027 5.626) 7.567 4.812 ( 0.255 -0.384 -0.167) 0.490 4.941 ( -0.370 0.307 1.298) 1.384 4.994 ( -0.736 0.423 0.261) 0.888 5.206 ( -4.629 -0.420 2.407) 5.234 5.386 ( 2.296 -1.059 2.317) 3.430 5.482 ( -5.022 -6.416 -3.562) 8.892 5.828 ( 5.956 2.530 -9.027) 11.106 6.280 ( 3.268 -0.658 4.332) 5.466 6.296 ( 1.049 -0.101 1.939) 2.207 ======================= Grid point 174 (60/129) ======================= q-point: (-0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -8.680 6.074 7.716) 13.106 0.549 ( -10.190 6.024 11.093) 16.223 0.857 ( -11.790 5.189 4.825) 13.756 0.993 ( -12.718 1.989 8.465) 15.407 1.160 ( 1.291 -1.093 -6.013) 6.246 1.235 ( -1.750 -1.888 3.299) 4.185 1.326 ( -4.750 3.395 0.103) 5.839 1.516 ( -4.834 -2.309 -0.210) 5.362 1.539 ( -7.934 -1.124 -1.676) 8.186 1.584 ( -0.095 0.067 4.119) 4.120 1.771 ( 1.169 0.000 -1.545) 1.937 1.931 ( 0.800 -3.591 1.840) 4.114 2.016 ( 1.349 -0.333 -1.102) 1.773 2.108 ( -0.846 -0.728 -5.006) 5.129 2.155 ( -4.766 -0.535 -1.158) 4.933 2.173 ( -2.607 0.665 -2.039) 3.375 2.662 ( 2.543 -0.054 3.421) 4.263 2.957 ( 1.151 1.167 -8.053) 8.219 3.375 ( -7.555 0.265 0.085) 7.561 3.445 ( -2.459 0.126 0.361) 2.488 3.484 ( -7.694 -0.519 -6.041) 9.796 3.507 ( -5.924 0.762 -4.098) 7.244 3.900 ( -0.121 -0.125 2.009) 2.017 4.073 ( 2.899 0.098 -4.645) 5.477 4.282 ( 1.285 -3.290 5.163) 6.255 4.420 ( 3.894 -7.049 7.306) 10.873 4.656 ( 6.096 -3.612 5.550) 9.000 4.832 ( 1.603 -0.323 0.649) 1.759 4.943 ( 0.859 1.026 1.542) 2.042 4.979 ( -0.377 0.892 0.916) 1.334 5.105 ( -5.344 -0.198 1.678) 5.605 5.335 ( -12.527 -10.283 -5.214) 17.025 5.456 ( 1.354 -0.052 3.104) 3.387 5.908 ( 3.536 3.640 -11.684) 12.738 6.311 ( 0.862 0.826 3.453) 3.653 6.369 ( 4.921 -1.502 4.726) 6.986 ======================= Grid point 175 (61/129) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( 0.000 13.282 7.817) 15.412 0.390 ( 0.000 6.314 17.146) 18.271 0.627 ( 0.000 4.633 26.889) 27.286 0.894 ( 0.000 0.748 -4.355) 4.419 1.151 ( 0.000 1.375 -7.518) 7.642 1.237 ( -0.000 -0.404 4.090) 4.110 1.289 ( -0.000 -0.770 -1.629) 1.802 1.443 ( -0.000 -0.442 0.866) 0.972 1.469 ( -0.000 -1.504 -0.173) 1.514 1.605 ( -0.000 -2.330 4.611) 5.166 1.795 ( 0.000 1.981 -3.551) 4.066 1.936 ( -0.000 -0.705 1.652) 1.796 2.055 ( 0.000 0.055 -1.390) 1.391 2.076 ( -0.000 -3.019 0.213) 3.027 2.113 ( -0.000 -0.015 -5.793) 5.793 2.176 ( 0.000 1.484 -3.960) 4.229 2.720 ( -0.000 -0.638 0.509) 0.816 2.968 ( 0.000 1.089 -8.513) 8.583 3.291 ( 0.000 0.151 0.237) 0.281 3.293 ( 0.000 0.182 0.202) 0.272 3.420 ( 0.000 0.012 0.302) 0.303 3.452 ( 0.000 0.035 -0.484) 0.485 3.899 ( -0.000 -0.063 1.996) 1.997 4.095 ( -0.000 -0.562 -5.526) 5.555 4.315 ( -0.000 -2.242 6.868) 7.225 4.522 ( -0.000 -10.548 5.861) 12.067 4.819 ( -0.000 -10.774 5.723) 12.199 4.877 ( -0.000 -4.206 3.914) 5.745 4.970 ( 0.000 0.889 1.136) 1.442 5.014 ( -0.000 -2.139 1.545) 2.639 5.036 ( 0.000 0.049 0.196) 0.202 5.058 ( 0.000 0.067 -0.368) 0.374 5.472 ( 0.000 0.087 3.310) 3.311 5.923 ( 0.000 4.505 -12.122) 12.932 6.315 ( 0.000 1.117 4.086) 4.236 6.460 ( -0.000 -3.870 1.217) 4.057 ======================= Grid point 178 (62/129) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.434 -0.000 0.972) 1.064 1.018 ( -3.021 0.000 -1.569) 3.404 1.265 ( 11.365 -0.000 3.256) 11.822 1.476 ( 8.843 -0.000 -0.691) 8.870 1.608 ( 0.479 -0.000 -2.217) 2.268 1.615 ( -1.291 0.000 3.185) 3.437 1.682 ( 9.833 -0.000 1.863) 10.008 1.709 ( 0.440 -0.000 -0.737) 0.859 1.734 ( 0.743 -0.000 -1.124) 1.347 1.754 ( -2.765 0.000 -0.288) 2.780 1.761 ( 2.371 -0.000 -0.133) 2.375 1.852 ( -1.442 0.000 3.725) 3.994 2.256 ( 2.894 -0.000 -0.877) 3.024 2.278 ( 11.932 -0.000 5.112) 12.981 2.429 ( -4.053 0.000 -1.475) 4.313 2.755 ( 6.592 -0.000 2.991) 7.239 2.797 ( 14.153 -0.000 -0.895) 14.181 2.984 ( 1.354 -0.000 -6.738) 6.873 3.436 ( -5.336 0.000 2.265) 5.797 3.669 ( 1.535 -0.000 0.972) 1.816 3.679 ( -7.825 0.000 -5.022) 9.298 3.744 ( 2.487 -0.000 0.592) 2.556 3.791 ( 0.960 -0.000 -2.040) 2.255 3.855 ( 0.610 -0.000 -3.029) 3.090 4.025 ( -0.494 0.000 5.413) 5.435 4.172 ( 1.714 -0.000 3.545) 3.938 4.654 ( -1.611 0.000 2.838) 3.263 4.820 ( -0.270 0.000 0.287) 0.394 5.024 ( 1.224 -0.000 -0.400) 1.288 5.047 ( 5.083 -0.000 -0.654) 5.125 5.277 ( -2.338 0.000 2.795) 3.643 5.300 ( 0.001 -0.000 2.537) 2.537 5.557 ( -5.853 0.000 -3.975) 7.075 5.606 ( -1.075 0.000 -5.862) 5.960 6.172 ( -2.037 0.000 3.488) 4.039 6.296 ( -0.128 0.000 -0.337) 0.361 ======================= Grid point 179 (63/129) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.440 0.116 0.428) 0.625 0.962 ( -2.558 -0.169 -0.544) 2.621 1.383 ( -0.492 2.234 3.718) 4.365 1.494 ( -4.513 2.744 1.074) 5.390 1.571 ( -4.043 1.539 -1.231) 4.498 1.592 ( 0.878 0.177 2.431) 2.591 1.680 ( 0.924 -0.621 -0.412) 1.187 1.737 ( 0.053 -3.500 -1.359) 3.755 1.823 ( 1.659 0.605 3.157) 3.618 1.830 ( 3.317 -0.191 1.339) 3.582 1.837 ( 5.540 -0.895 -0.212) 5.615 1.914 ( 10.343 -0.242 0.982) 10.393 2.289 ( -6.815 -0.152 -4.388) 8.107 2.309 ( 2.150 -0.309 -2.500) 3.312 2.480 ( 5.370 -0.414 5.506) 7.702 2.864 ( 4.205 -0.031 3.953) 5.771 2.994 ( 0.915 -0.045 -6.712) 6.775 3.018 ( 6.582 -0.005 -0.839) 6.635 3.347 ( -3.229 -0.040 1.733) 3.665 3.533 ( -5.203 -0.178 -3.614) 6.337 3.687 ( 0.398 0.030 0.825) 0.916 3.801 ( 1.515 0.111 -1.235) 1.958 3.817 ( 2.529 0.111 0.459) 2.573 3.875 ( 0.941 0.028 0.125) 0.949 4.012 ( -1.258 -0.001 4.863) 5.023 4.247 ( 5.425 0.006 0.330) 5.435 4.584 ( -5.036 0.128 3.645) 6.218 4.809 ( -0.676 0.019 -0.444) 0.809 5.068 ( 3.149 0.032 0.548) 3.196 5.164 ( 6.617 0.026 -1.379) 6.760 5.228 ( -2.759 0.018 2.066) 3.447 5.290 ( -0.626 -0.030 2.409) 2.489 5.438 ( -6.305 0.030 -2.943) 6.958 5.576 ( -1.605 0.319 -5.344) 5.589 6.142 ( -1.035 -0.001 3.220) 3.382 6.290 ( -0.410 0.142 -1.092) 1.175 ======================= Grid point 180 (64/129) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -0.861 0.373 0.721) 1.183 0.937 ( 1.301 -0.415 -0.288) 1.396 1.281 ( -5.231 3.145 4.241) 7.432 1.409 ( -5.075 -3.317 2.064) 6.404 1.468 ( -4.451 1.442 -1.512) 4.917 1.586 ( -1.404 -0.725 0.887) 1.812 1.722 ( 0.621 -0.601 0.172) 0.880 1.736 ( -0.524 -2.207 0.072) 2.270 1.825 ( 0.630 -0.309 3.956) 4.017 1.931 ( 4.624 1.942 -0.132) 5.017 1.947 ( 4.846 1.363 -0.368) 5.048 2.062 ( -0.758 -0.185 3.107) 3.203 2.178 ( 1.047 -0.032 -6.725) 6.806 2.340 ( 0.800 -0.064 -2.680) 2.797 2.541 ( 0.850 -0.370 4.135) 4.238 2.912 ( 0.639 0.607 3.937) 4.034 2.994 ( -0.204 -0.520 -6.333) 6.357 3.089 ( -0.013 0.016 -0.816) 0.816 3.316 ( 0.098 -0.002 1.462) 1.465 3.489 ( 0.630 -0.034 -3.578) 3.633 3.689 ( -0.152 -0.008 0.692) 0.709 3.800 ( -0.619 0.034 -2.569) 2.643 3.859 ( -0.419 0.005 1.248) 1.317 3.883 ( -0.131 -0.006 1.186) 1.193 3.990 ( 0.166 0.019 5.667) 5.670 4.329 ( -0.105 -0.010 -3.377) 3.378 4.505 ( -0.231 -0.007 6.271) 6.276 4.801 ( -0.045 0.002 -0.922) 0.923 5.119 ( -0.096 0.005 1.519) 1.522 5.181 ( -0.116 0.013 1.291) 1.296 5.282 ( 0.469 -0.093 1.741) 1.805 5.300 ( 1.652 -0.009 -1.379) 2.152 5.307 ( -2.127 0.081 -2.298) 3.133 5.546 ( -1.184 0.012 -4.787) 4.931 6.132 ( 0.050 0.001 2.830) 2.830 6.280 ( -0.522 0.000 -1.349) 1.447 ======================= Grid point 181 (65/129) ======================= q-point: (-0.58 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.494 -0.065 1.540) 1.618 0.980 ( 2.430 0.333 -0.868) 2.602 1.188 ( -4.577 -2.658 4.917) 7.225 1.314 ( -5.180 -3.121 1.330) 6.192 1.414 ( -1.351 -2.403 -1.573) 3.174 1.549 ( -2.969 -1.532 -1.980) 3.884 1.693 ( -2.793 -1.392 3.850) 4.956 1.753 ( 0.505 0.192 -0.659) 0.852 1.842 ( 0.599 0.231 3.046) 3.113 1.906 ( -9.478 0.204 -0.254) 9.484 1.972 ( 0.728 3.839 0.264) 3.916 2.008 ( 1.446 2.226 -0.245) 2.666 2.304 ( 7.146 0.231 -3.643) 8.024 2.342 ( -0.328 0.614 -2.064) 2.178 2.522 ( -2.918 0.623 4.400) 5.316 2.882 ( -3.367 0.728 3.431) 4.862 2.990 ( -1.905 -0.320 -6.060) 6.361 3.020 ( -5.670 0.008 -1.070) 5.770 3.352 ( 3.631 0.109 1.600) 3.969 3.555 ( 5.990 0.402 -4.548) 7.531 3.683 ( -0.499 -0.103 0.714) 0.877 3.785 ( -1.133 -0.364 -2.157) 2.464 3.805 ( -3.418 -0.195 1.442) 3.715 3.871 ( -1.056 -0.093 -0.231) 1.085 4.013 ( 1.142 0.055 5.050) 5.178 4.246 ( -5.394 -0.038 0.282) 5.401 4.567 ( 3.489 -0.374 3.843) 5.204 4.807 ( 0.496 -0.048 -0.646) 0.816 5.064 ( -3.336 -0.087 0.733) 3.417 5.163 ( -6.938 -0.006 -1.310) 7.061 5.225 ( 2.639 -0.078 2.103) 3.376 5.292 ( 0.570 -0.020 2.092) 2.168 5.438 ( 6.677 0.114 -2.991) 7.317 5.532 ( -0.530 -1.019 -4.165) 4.321 6.143 ( 1.119 0.073 2.386) 2.637 6.271 ( -0.509 -0.428 -1.102) 1.287 ======================= Grid point 182 (66/129) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.469 -0.503 1.348) 1.513 1.013 ( 0.281 -0.187 -1.164) 1.212 1.081 ( -7.752 -3.949 4.605) 9.844 1.280 ( -1.852 -5.912 -0.254) 6.200 1.422 ( 0.197 -3.431 -2.147) 4.052 1.503 ( -1.749 -3.206 -3.051) 4.759 1.607 ( -7.812 -0.626 7.354) 10.747 1.727 ( -5.918 0.404 0.196) 5.935 1.744 ( -2.073 0.610 -0.868) 2.329 1.845 ( -0.180 0.740 1.580) 1.754 1.931 ( -2.622 4.269 0.603) 5.046 1.987 ( -2.406 2.237 -0.704) 3.360 2.318 ( -1.378 1.603 -0.685) 2.222 2.396 ( -6.853 2.986 3.107) 8.095 2.429 ( 3.051 0.081 -1.230) 3.291 2.773 ( -7.193 0.556 2.511) 7.639 2.788 ( -14.105 -0.250 -0.416) 14.113 2.997 ( -0.412 0.407 -6.684) 6.709 3.451 ( 5.930 0.420 2.212) 6.343 3.666 ( -1.361 -0.085 0.880) 1.623 3.701 ( 5.931 0.489 -4.694) 7.580 3.748 ( -0.010 0.214 -0.967) 0.990 3.776 ( -0.347 -0.444 -1.554) 1.653 3.853 ( -0.284 -0.050 -3.129) 3.142 4.026 ( 0.689 0.070 5.588) 5.631 4.171 ( -1.797 -0.075 3.279) 3.740 4.596 ( -1.271 -1.731 3.799) 4.364 4.814 ( 0.036 -0.177 -0.025) 0.183 5.018 ( -1.345 -0.118 -0.176) 1.361 5.040 ( -5.102 -0.221 -0.601) 5.142 5.273 ( 2.315 -0.068 3.013) 3.800 5.297 ( -0.333 -0.170 2.062) 2.096 5.511 ( -0.758 -1.428 -3.259) 3.638 5.584 ( 6.366 -0.467 -4.588) 7.861 6.174 ( 2.051 0.223 2.046) 2.906 6.265 ( -0.377 -0.992 -0.308) 1.105 ======================= Grid point 183 (67/129) ======================= q-point: (-0.42 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -6.568 -2.410 1.394) 7.133 0.920 ( -4.776 1.838 4.044) 6.523 1.032 ( -1.033 -2.031 -1.984) 3.021 1.224 ( -6.383 -2.637 -2.641) 7.394 1.408 ( -8.851 -1.736 3.183) 9.565 1.472 ( -0.199 -5.675 4.669) 7.352 1.537 ( 2.014 -5.852 -2.161) 6.555 1.641 ( -3.462 0.966 0.956) 3.719 1.671 ( -4.674 2.695 -0.155) 5.398 1.805 ( -6.261 2.413 0.698) 6.746 1.847 ( -1.858 1.011 0.910) 2.303 1.895 ( -5.230 1.005 -0.956) 5.411 2.171 ( -10.632 4.476 3.539) 12.067 2.273 ( -2.390 1.930 1.265) 3.322 2.474 ( -10.349 -0.215 -2.486) 10.645 2.477 ( -7.208 -0.143 -2.321) 7.574 2.635 ( -5.008 0.307 3.979) 6.404 2.979 ( -0.848 1.020 -7.246) 7.366 3.538 ( 1.677 0.672 2.090) 2.762 3.635 ( -1.290 0.112 0.587) 1.422 3.671 ( -4.027 0.166 -0.738) 4.097 3.723 ( -3.683 0.703 -2.155) 4.324 3.866 ( 3.389 -0.042 -3.445) 4.833 3.884 ( 3.772 0.181 -4.813) 6.118 4.095 ( 7.755 0.844 3.995) 8.764 4.176 ( 1.965 -0.229 4.236) 4.675 4.550 ( -4.238 -4.463 5.379) 8.174 4.810 ( -0.453 -0.333 0.084) 0.569 4.965 ( -2.276 -0.152 0.465) 2.328 5.008 ( -0.383 -0.021 -0.330) 0.506 5.270 ( -2.505 -0.408 2.254) 3.394 5.325 ( 2.759 -0.191 3.123) 4.171 5.483 ( -3.300 -3.596 -2.593) 5.527 5.720 ( 7.220 0.725 -6.547) 9.773 6.220 ( 2.591 0.215 2.287) 3.462 6.270 ( 0.347 -1.205 0.892) 1.538 ======================= Grid point 184 (68/129) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -8.839 3.366 4.184) 10.343 0.811 ( -6.937 4.107 4.215) 9.097 1.007 ( -4.162 -3.194 -3.420) 6.263 1.111 ( -2.814 -0.510 0.513) 2.906 1.278 ( -4.389 -1.008 4.032) 6.044 1.400 ( -14.404 -0.313 9.632) 17.330 1.523 ( -5.878 3.091 -0.603) 6.669 1.566 ( -4.850 -0.081 -0.844) 4.924 1.598 ( -0.307 -2.805 -2.360) 3.678 1.643 ( -5.230 0.002 -0.823) 5.294 1.786 ( -3.641 -0.589 -0.481) 3.720 1.844 ( -0.481 -2.462 2.200) 3.337 2.015 ( -2.706 1.233 -0.712) 3.057 2.187 ( -7.456 -0.118 -0.586) 7.480 2.225 ( -5.829 0.685 -0.901) 5.938 2.340 ( -9.585 0.325 -2.426) 9.893 2.621 ( 1.639 -0.031 3.694) 4.041 2.964 ( 0.154 1.401 -7.439) 7.571 3.508 ( -3.082 0.386 0.999) 3.263 3.549 ( -8.047 0.435 -0.200) 8.061 3.601 ( -3.902 0.523 -3.032) 4.970 3.621 ( -4.717 0.981 -2.458) 5.408 3.896 ( 0.388 -0.315 1.047) 1.161 3.985 ( 5.925 0.502 -4.128) 7.239 4.208 ( 0.876 -2.790 2.473) 3.830 4.277 ( 7.388 0.623 4.260) 8.551 4.519 ( -0.239 -6.090 6.611) 8.992 4.808 ( 0.202 -0.462 -0.186) 0.538 4.945 ( 0.000 0.357 1.381) 1.427 4.999 ( -0.358 0.538 0.357) 0.738 5.201 ( -4.633 -0.552 2.163) 5.142 5.364 ( -2.030 -3.358 0.210) 3.929 5.431 ( -1.955 -2.904 0.766) 3.584 5.851 ( 6.302 1.744 -9.570) 11.590 6.273 ( 2.727 -0.683 4.261) 5.105 6.295 ( 1.869 -0.053 1.418) 2.346 ======================= Grid point 185 (69/129) ======================= q-point: (-0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -3.728 10.331 6.695) 12.863 0.617 ( -8.195 6.840 10.874) 15.238 0.904 ( -6.576 2.770 -2.449) 7.544 1.029 ( -15.923 4.878 14.566) 22.125 1.137 ( 2.496 -3.175 -1.654) 4.364 1.224 ( -1.979 0.028 1.421) 2.437 1.370 ( -5.877 4.828 -0.562) 7.627 1.484 ( -4.697 -3.433 -0.390) 5.831 1.524 ( -7.592 -1.765 -2.533) 8.196 1.586 ( -0.412 0.338 3.123) 3.168 1.766 ( 1.219 -1.034 -1.504) 2.195 1.888 ( 2.219 -4.282 2.388) 5.382 2.012 ( 0.706 -0.556 -2.133) 2.315 2.096 ( -1.653 -1.503 -4.463) 4.991 2.150 ( -4.636 -0.375 -1.671) 4.942 2.177 ( -3.421 -0.022 -2.663) 4.335 2.661 ( 2.376 -0.131 3.930) 4.594 2.971 ( 1.174 1.466 -7.502) 7.734 3.379 ( -7.615 0.355 0.175) 7.625 3.446 ( -2.535 0.161 0.445) 2.579 3.479 ( -8.229 -0.423 -5.443) 9.875 3.514 ( -6.201 0.617 -3.922) 7.363 3.899 ( -0.035 -0.076 2.054) 2.056 4.071 ( 1.611 -0.645 -5.149) 5.433 4.212 ( -2.167 -9.197 11.234) 14.679 4.372 ( 2.677 -1.585 10.231) 10.693 4.616 ( 5.678 -3.882 2.433) 7.295 4.827 ( 1.427 -0.662 0.597) 1.682 4.954 ( 1.322 1.085 1.550) 2.308 4.990 ( -0.083 1.183 1.010) 1.557 5.102 ( -5.142 -0.290 1.465) 5.355 5.242 ( -11.403 -7.033 -1.640) 13.497 5.456 ( 1.722 0.077 3.488) 3.891 5.939 ( 3.490 2.224 -12.626) 13.287 6.321 ( 1.547 0.819 3.122) 3.579 6.354 ( 3.926 -1.219 4.228) 5.897 ======================= Grid point 186 (70/129) ======================= q-point: (-0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 0.000 13.866 6.408) 15.275 0.477 ( 0.000 9.600 13.902) 16.894 0.699 ( 0.000 9.008 21.773) 23.563 0.903 ( 0.000 0.920 -1.466) 1.730 1.172 ( 0.000 2.553 -6.885) 7.343 1.214 ( -0.000 -4.142 1.383) 4.366 1.294 ( 0.000 2.167 2.161) 3.060 1.436 ( -0.000 -0.935 0.216) 0.960 1.446 ( -0.000 -2.853 -0.120) 2.855 1.588 ( -0.000 -0.823 4.009) 4.092 1.803 ( -0.000 -0.610 -3.737) 3.786 1.926 ( -0.000 -1.221 1.910) 2.267 2.039 ( -0.000 -3.845 -0.709) 3.910 2.055 ( 0.000 0.077 -1.470) 1.472 2.109 ( -0.000 -0.678 -5.556) 5.598 2.186 ( 0.000 0.089 -7.788) 7.789 2.711 ( -0.000 -1.040 1.827) 2.102 2.982 ( 0.000 1.485 -7.878) 8.017 3.293 ( 0.000 0.265 0.237) 0.356 3.296 ( 0.000 0.318 0.192) 0.372 3.420 ( 0.000 0.017 0.305) 0.305 3.452 ( 0.000 0.057 -0.490) 0.493 3.898 ( -0.000 -0.051 2.107) 2.107 4.079 ( -0.000 -3.224 -3.421) 4.701 4.249 ( -0.000 -9.995 16.041) 18.900 4.416 ( -0.000 -5.296 13.822) 14.802 4.718 ( -0.000 -6.638 2.834) 7.218 4.857 ( -0.000 -1.320 2.476) 2.806 4.982 ( 0.000 1.361 1.299) 1.882 5.002 ( -0.000 -0.522 1.798) 1.872 5.036 ( 0.000 0.086 0.188) 0.206 5.059 ( 0.000 0.115 -0.383) 0.399 5.474 ( 0.000 0.165 3.485) 3.489 5.962 ( 0.000 2.708 -13.893) 14.155 6.329 ( 0.000 1.507 2.988) 3.346 6.421 ( -0.000 -3.199 3.411) 4.676 ======================= Grid point 191 (71/129) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -1.503 0.000 0.661) 1.642 0.934 ( 2.002 -0.000 -0.250) 2.018 1.303 ( -6.379 0.000 4.800) 7.983 1.386 ( -5.595 0.000 1.484) 5.789 1.477 ( -5.196 0.000 -1.287) 5.353 1.581 ( -1.619 0.000 0.231) 1.636 1.715 ( -1.285 0.000 0.988) 1.621 1.727 ( 2.259 -0.000 -0.266) 2.275 1.824 ( 0.765 -0.000 3.905) 3.979 1.943 ( 5.099 -0.000 -0.058) 5.099 1.954 ( 5.122 -0.000 -0.306) 5.131 2.061 ( -0.941 0.000 3.007) 3.151 2.178 ( 1.219 -0.000 -6.734) 6.843 2.339 ( 0.938 -0.000 -2.719) 2.876 2.539 ( 0.978 -0.000 4.194) 4.307 2.915 ( 0.783 -0.000 4.283) 4.354 2.991 ( -0.278 0.000 -6.690) 6.696 3.089 ( -0.016 0.000 -0.812) 0.812 3.316 ( 0.113 -0.000 1.464) 1.468 3.489 ( 0.726 -0.000 -3.573) 3.646 3.689 ( -0.176 0.000 0.689) 0.712 3.801 ( -0.714 0.000 -2.581) 2.678 3.859 ( -0.483 0.000 1.250) 1.340 3.883 ( -0.151 0.000 1.182) 1.192 3.990 ( 0.192 -0.000 5.672) 5.676 4.329 ( -0.121 0.000 -3.376) 3.378 4.505 ( -0.267 0.000 6.272) 6.278 4.801 ( -0.052 0.000 -0.921) 0.923 5.119 ( -0.111 0.000 1.520) 1.524 5.181 ( -0.135 0.000 1.290) 1.297 5.282 ( 0.535 -0.000 1.663) 1.747 5.300 ( 1.747 -0.000 -1.361) 2.214 5.308 ( -2.288 0.000 -2.237) 3.200 5.546 ( -1.367 0.000 -4.788) 4.980 6.132 ( 0.058 -0.000 2.830) 2.831 6.280 ( -0.603 0.000 -1.349) 1.478 ======================= Grid point 192 (72/129) ======================= q-point: (-0.67 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.538 -0.013 1.723) 1.805 0.983 ( 2.530 0.117 -0.887) 2.683 1.170 ( -6.848 -0.821 5.311) 8.704 1.291 ( -4.476 -1.211 1.211) 4.793 1.397 ( -2.398 -0.782 -1.607) 2.990 1.536 ( -3.029 -0.657 -2.868) 4.223 1.683 ( -2.219 -0.462 4.647) 5.170 1.754 ( 0.613 0.064 -0.785) 0.997 1.843 ( 0.886 0.075 3.046) 3.173 1.907 ( -9.855 0.042 -0.163) 9.857 2.004 ( 1.207 2.165 0.006) 2.479 2.019 ( 1.272 -0.006 -0.204) 1.289 2.305 ( 7.181 0.079 -3.599) 8.032 2.347 ( -0.093 0.223 -2.038) 2.052 2.526 ( -2.337 0.200 4.312) 4.908 2.888 ( -3.512 0.320 3.495) 4.965 2.987 ( -1.640 -0.153 -6.213) 6.428 3.020 ( -5.701 -0.004 -1.006) 5.789 3.353 ( 3.694 0.040 1.582) 4.019 3.558 ( 6.117 0.141 -4.681) 7.703 3.682 ( -0.514 -0.039 0.692) 0.863 3.782 ( -1.183 -0.132 -2.196) 2.498 3.804 ( -3.472 -0.068 1.465) 3.769 3.870 ( -1.068 -0.035 -0.284) 1.106 4.014 ( 1.127 0.024 5.086) 5.209 4.246 ( -5.393 -0.015 0.273) 5.400 4.564 ( 3.248 -0.138 3.881) 5.063 4.807 ( 0.468 -0.017 -0.677) 0.823 5.064 ( -3.365 -0.032 0.762) 3.451 5.163 ( -7.026 0.002 -1.316) 7.148 5.224 ( 2.663 -0.031 2.115) 3.401 5.292 ( 0.554 -0.013 2.047) 2.121 5.439 ( 6.889 0.062 -3.013) 7.519 5.524 ( -1.025 -0.390 -3.969) 4.118 6.144 ( 1.165 0.031 2.257) 2.541 6.268 ( -0.674 -0.160 -1.098) 1.298 ======================= Grid point 193 (73/129) ======================= q-point: (-0.58 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -1.091 -0.487 1.352) 1.805 1.014 ( -0.416 0.321 -0.671) 0.853 1.048 ( -5.427 -2.330 4.814) 7.619 1.230 ( -2.856 -3.355 0.016) 4.406 1.394 ( 0.881 -1.916 -2.109) 2.983 1.476 ( -3.170 -1.726 -4.130) 5.485 1.603 ( -7.522 -0.252 8.000) 10.984 1.730 ( -6.263 0.169 0.571) 6.291 1.749 ( -1.377 0.309 -1.240) 1.878 1.851 ( -0.081 0.331 1.515) 1.553 1.970 ( -3.110 3.077 0.239) 4.382 2.001 ( -3.020 0.389 -0.469) 3.081 2.332 ( -1.181 0.872 -0.719) 1.635 2.419 ( -1.636 1.154 -0.292) 2.023 2.432 ( -1.389 0.557 1.776) 2.323 2.778 ( -7.367 0.358 2.402) 7.757 2.786 ( -14.126 -0.177 -0.301) 14.130 3.001 ( -0.149 0.242 -6.655) 6.661 3.455 ( 6.072 0.242 2.196) 6.461 3.665 ( -1.334 -0.049 0.871) 1.593 3.705 ( 5.057 0.218 -4.353) 6.676 3.750 ( 0.999 0.169 -1.648) 1.935 3.772 ( -0.149 -0.251 -1.435) 1.465 3.853 ( -0.204 -0.028 -3.153) 3.159 4.026 ( 0.795 0.062 5.626) 5.683 4.170 ( -1.840 -0.057 3.196) 3.688 4.581 ( -2.077 -1.022 4.096) 4.704 4.812 ( -0.020 -0.101 -0.098) 0.142 5.017 ( -1.250 -0.049 -0.137) 1.258 5.038 ( -5.232 -0.145 -0.576) 5.266 5.273 ( 2.351 -0.032 3.006) 3.817 5.295 ( -0.466 -0.124 2.001) 2.059 5.499 ( -1.763 -0.842 -2.976) 3.560 5.580 ( 7.089 -0.239 -4.419) 8.357 6.177 ( 2.166 0.198 1.673) 2.745 6.257 ( -0.589 -0.629 -0.255) 0.899 ======================= Grid point 194 (74/129) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -5.009 -1.142 0.682) 5.182 0.946 ( -2.225 2.869 4.613) 5.870 1.012 ( -2.234 -1.576 -1.926) 3.344 1.188 ( -4.379 -4.123 -1.395) 6.174 1.389 ( -6.329 -1.525 -1.442) 6.668 1.431 ( -4.731 -2.095 8.987) 10.370 1.479 ( 1.787 -4.975 -2.060) 5.673 1.648 ( -2.958 0.420 1.898) 3.539 1.695 ( -3.643 1.728 -0.984) 4.150 1.825 ( -4.522 1.086 -0.684) 4.700 1.864 ( -4.269 1.995 1.066) 4.831 1.903 ( -6.001 0.517 -0.597) 6.053 2.210 ( -11.297 2.967 3.356) 12.152 2.289 ( -2.790 1.123 1.079) 3.196 2.471 ( -14.847 -0.197 -1.059) 14.886 2.476 ( -2.545 -0.079 -3.628) 4.433 2.638 ( -5.212 0.227 3.971) 6.557 2.989 ( -0.647 0.743 -7.165) 7.233 3.544 ( 1.589 0.476 2.128) 2.698 3.636 ( -1.059 0.096 0.743) 1.298 3.673 ( -3.863 0.103 -0.821) 3.951 3.729 ( -3.276 0.519 -1.863) 3.804 3.866 ( 3.009 0.030 -3.309) 4.472 3.886 ( 3.874 0.086 -4.839) 6.200 4.105 ( 8.380 1.010 3.403) 9.101 4.173 ( 1.709 -0.345 3.785) 4.167 4.507 ( -5.854 -3.598 6.740) 9.626 4.807 ( -0.509 -0.240 0.010) 0.563 4.964 ( -2.163 -0.105 0.509) 2.225 5.008 ( -0.194 -0.003 -0.252) 0.318 5.266 ( -2.644 -0.334 2.054) 3.365 5.323 ( 2.562 -0.179 3.105) 4.030 5.452 ( -3.835 -2.316 -1.771) 4.817 5.726 ( 7.604 0.383 -6.489) 10.003 6.224 ( 2.533 0.495 1.685) 3.082 6.257 ( 0.448 -1.178 1.028) 1.626 ======================= Grid point 195 (75/129) ======================= q-point: (-0.42 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -4.214 5.300 2.113) 7.093 0.860 ( -5.722 5.193 3.980) 8.692 0.972 ( -3.142 -3.199 -2.811) 5.293 1.101 ( -3.981 -1.750 3.536) 5.605 1.272 ( -3.497 -0.159 3.797) 5.165 1.360 ( -9.317 -5.937 8.035) 13.660 1.538 ( -1.382 -2.467 -1.595) 3.246 1.572 ( -5.488 2.239 -1.763) 6.184 1.591 ( -3.786 1.751 -0.695) 4.229 1.656 ( -6.982 2.106 -0.936) 7.353 1.778 ( -4.517 -0.803 -0.489) 4.614 1.826 ( -1.978 -1.061 2.554) 3.400 2.025 ( -4.925 0.575 -0.698) 5.007 2.183 ( -8.559 -0.440 -1.328) 8.672 2.232 ( -5.679 0.524 -0.104) 5.704 2.343 ( -9.643 0.192 -2.485) 9.960 2.621 ( 1.588 -0.038 4.042) 4.343 2.978 ( 0.242 1.163 -7.172) 7.270 3.511 ( -3.215 0.308 1.042) 3.394 3.553 ( -8.033 0.373 -0.079) 8.042 3.607 ( -3.599 0.505 -2.687) 4.520 3.632 ( -5.140 0.931 -2.419) 5.756 3.893 ( 0.546 -0.214 1.067) 1.218 3.990 ( 5.960 0.413 -4.351) 7.391 4.176 ( -2.801 -3.129 3.223) 5.294 4.289 ( 7.141 1.617 4.465) 8.575 4.455 ( 0.765 -5.848 7.777) 9.761 4.803 ( 0.126 -0.409 -0.205) 0.475 4.948 ( 0.363 0.312 1.486) 1.561 5.005 ( 0.015 0.519 0.414) 0.664 5.195 ( -4.639 -0.546 1.922) 5.051 5.325 ( -5.692 -3.450 -0.755) 6.699 5.414 ( 1.317 -0.729 3.009) 3.365 5.865 ( 6.465 1.056 -9.703) 11.707 6.266 ( 2.304 -0.545 4.224) 4.842 6.295 ( 2.603 -0.001 0.988) 2.784 ======================= Grid point 196 (76/129) ======================= q-point: (-0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -0.830 11.904 4.821) 12.870 0.691 ( -6.492 6.936 10.388) 14.078 0.912 ( -3.490 -0.734 -3.074) 4.709 1.077 ( -13.286 1.434 14.227) 19.519 1.106 ( -0.253 -0.609 3.787) 3.844 1.234 ( -0.854 1.677 -0.329) 1.910 1.425 ( -5.848 5.271 -0.996) 7.936 1.449 ( -5.525 -2.681 -0.655) 6.176 1.502 ( -7.007 -2.258 -4.041) 8.398 1.590 ( -0.623 0.325 2.312) 2.416 1.747 ( 0.306 -2.671 -0.741) 2.789 1.847 ( 2.967 -3.091 2.697) 5.062 2.003 ( 0.743 -1.090 -3.249) 3.507 2.077 ( -3.000 -1.950 -3.730) 5.168 2.147 ( -3.999 -0.216 -2.282) 4.609 2.173 ( -5.041 -0.632 -2.731) 5.768 2.660 ( 2.143 -0.198 4.514) 5.001 2.986 ( 1.132 1.344 -6.958) 7.176 3.383 ( -7.671 0.346 0.264) 7.683 3.448 ( -2.614 0.142 0.519) 2.669 3.475 ( -9.239 -0.324 -5.223) 10.618 3.519 ( -6.277 0.327 -3.201) 7.054 3.899 ( 0.063 0.049 2.188) 2.190 4.047 ( -4.141 -4.759 1.176) 6.417 4.132 ( 0.758 -4.287 10.395) 11.270 4.372 ( 2.974 1.049 9.421) 9.935 4.574 ( 5.690 -4.034 0.879) 7.029 4.819 ( 1.160 -0.726 0.483) 1.451 4.965 ( 1.485 0.907 1.662) 2.406 5.002 ( 0.203 1.186 1.052) 1.598 5.099 ( -4.881 -0.337 1.250) 5.049 5.185 ( -9.241 -3.921 -0.561) 10.054 5.457 ( 1.859 0.071 3.744) 4.181 5.957 ( 3.218 1.194 -12.523) 12.985 6.326 ( 2.672 0.133 4.140) 4.930 6.346 ( 2.823 -0.230 2.563) 3.819 ======================= Grid point 197 (77/129) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 0.000 11.353 9.438) 14.764 0.583 ( 0.000 10.191 11.267) 15.193 0.806 ( 0.000 10.139 10.810) 14.820 0.912 ( 0.000 0.885 4.763) 4.844 1.162 ( -0.000 -5.015 2.984) 5.836 1.204 ( 0.000 3.364 -5.847) 6.745 1.331 ( 0.000 4.599 1.442) 4.820 1.410 ( -0.000 -3.855 -0.077) 3.856 1.423 ( -0.000 -1.467 -0.871) 1.706 1.585 ( 0.000 0.044 2.589) 2.589 1.782 ( -0.000 -3.354 -1.880) 3.845 1.912 ( -0.000 -1.419 2.288) 2.693 1.999 ( -0.000 -3.599 -1.846) 4.045 2.056 ( 0.000 0.068 -1.574) 1.576 2.099 ( -0.000 -1.351 -6.285) 6.429 2.175 ( -0.000 -2.102 -8.834) 9.080 2.699 ( -0.000 -1.106 3.412) 3.587 2.997 ( 0.000 1.293 -7.090) 7.207 3.297 ( 0.000 0.312 0.237) 0.391 3.299 ( 0.000 0.373 0.177) 0.413 3.420 ( 0.000 0.015 0.308) 0.309 3.453 ( 0.000 0.061 -0.497) 0.501 3.898 ( -0.000 -0.006 2.491) 2.491 4.016 ( -0.000 -7.899 10.178) 12.883 4.173 ( -0.000 -3.386 9.884) 10.447 4.399 ( 0.000 0.452 10.176) 10.186 4.662 ( -0.000 -4.651 0.008) 4.651 4.843 ( -0.000 -1.287 1.935) 2.323 4.994 ( 0.000 0.433 1.893) 1.942 5.003 ( 0.000 0.879 1.317) 1.583 5.037 ( 0.000 0.100 0.176) 0.202 5.061 ( 0.000 0.132 -0.402) 0.423 5.475 ( 0.000 0.167 3.710) 3.714 5.982 ( 0.000 1.265 -13.496) 13.555 6.345 ( 0.000 1.389 2.262) 2.655 6.394 ( -0.000 -1.916 3.954) 4.394 ======================= Grid point 204 (78/129) ======================= q-point: (-0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -1.456 0.000 1.346) 1.983 1.018 ( 0.572 -0.000 -1.377) 1.491 1.033 ( -5.551 0.000 5.814) 8.038 1.212 ( -3.439 0.000 0.065) 3.439 1.383 ( 1.179 -0.000 -2.061) 2.375 1.467 ( -3.642 0.000 -4.461) 5.759 1.601 ( -7.427 0.000 8.151) 11.027 1.731 ( -6.377 0.000 0.704) 6.415 1.751 ( -1.153 0.000 -1.369) 1.790 1.853 ( -0.057 0.000 1.473) 1.474 1.991 ( -3.466 0.000 -0.054) 3.467 1.998 ( -3.004 0.000 -0.190) 3.010 2.336 ( -1.118 0.000 -0.738) 1.339 2.423 ( 2.409 -0.000 -2.615) 3.556 2.437 ( -5.169 0.000 3.955) 6.508 2.780 ( -7.057 0.000 2.501) 7.487 2.785 ( -14.512 0.000 -0.397) 14.517 3.002 ( -0.050 0.000 -6.643) 6.643 3.456 ( 6.123 -0.000 2.190) 6.503 3.665 ( -1.323 0.000 0.867) 1.582 3.706 ( 4.702 -0.000 -4.204) 6.307 3.751 ( 1.390 -0.000 -1.917) 2.368 3.770 ( -0.063 0.000 -1.400) 1.402 3.853 ( -0.175 0.000 -3.161) 3.166 4.027 ( 0.843 -0.000 5.639) 5.702 4.170 ( -1.860 0.000 3.163) 3.669 4.576 ( -2.383 0.000 4.211) 4.839 4.812 ( -0.040 0.000 -0.124) 0.131 5.017 ( -1.193 0.000 -0.125) 1.200 5.038 ( -5.301 0.000 -0.565) 5.331 5.272 ( 2.370 -0.000 2.998) 3.822 5.295 ( -0.521 0.000 1.984) 2.051 5.495 ( -2.083 0.000 -2.868) 3.545 5.579 ( 7.311 -0.000 -4.365) 8.515 6.178 ( 2.233 -0.000 1.531) 2.707 6.253 ( -0.690 0.000 -0.227) 0.726 ======================= Grid point 206 (79/129) ======================= q-point: (-0.58 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -3.484 -0.257 -0.040) 3.493 0.975 ( -0.435 2.141 5.431) 5.854 0.999 ( -2.599 -0.838 -1.844) 3.295 1.147 ( -4.334 -2.661 -0.735) 5.139 1.382 ( -5.904 -0.009 -3.012) 6.628 1.421 ( -6.617 -0.109 9.881) 11.893 1.437 ( 1.788 -2.668 -1.778) 3.671 1.651 ( -2.792 0.121 2.251) 3.589 1.707 ( -3.029 0.568 -1.341) 3.361 1.831 ( -3.483 0.220 -1.146) 3.673 1.883 ( -5.575 1.291 0.792) 5.777 1.905 ( -6.250 -0.151 -0.252) 6.257 2.232 ( -11.758 1.057 3.310) 12.260 2.297 ( -3.012 0.344 0.921) 3.168 2.470 ( -15.983 -0.063 -0.480) 15.990 2.476 ( -1.311 -0.041 -4.132) 4.335 2.640 ( -5.317 0.083 3.970) 6.637 2.994 ( -0.541 0.271 -7.120) 7.145 3.547 ( 1.527 0.171 2.144) 2.637 3.637 ( -0.909 0.038 0.838) 1.237 3.673 ( -3.773 0.033 -0.872) 3.873 3.733 ( -2.996 0.190 -1.685) 3.442 3.866 ( 2.736 0.025 -3.221) 4.226 3.886 ( 3.968 0.021 -4.867) 6.279 4.114 ( 9.204 0.527 2.947) 9.679 4.169 ( 1.240 -0.221 3.415) 3.640 4.479 ( -6.981 -1.404 7.760) 10.531 4.805 ( -0.542 -0.087 -0.029) 0.549 4.963 ( -2.105 -0.037 0.531) 2.171 5.008 ( -0.069 0.002 -0.208) 0.219 5.263 ( -2.731 -0.131 1.929) 3.346 5.322 ( 2.398 -0.076 3.070) 3.897 5.435 ( -4.002 -0.789 -1.323) 4.288 5.729 ( 7.800 0.119 -6.436) 10.113 6.229 ( 2.828 0.510 1.093) 3.075 6.246 ( 0.183 -0.752 1.367) 1.571 ======================= Grid point 207 (80/129) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -0.522 3.925 -0.845) 4.049 0.919 ( -5.310 4.844 2.111) 7.491 0.948 ( -2.632 -0.014 0.026) 2.632 1.069 ( -3.579 -4.584 5.249) 7.834 1.271 ( -3.798 -0.767 8.478) 9.321 1.304 ( -7.743 -3.444 3.826) 9.298 1.502 ( 1.335 -3.152 -4.544) 5.689 1.598 ( -3.522 1.372 0.145) 3.783 1.610 ( -6.463 2.073 0.357) 6.797 1.679 ( -7.698 1.853 -2.045) 8.178 1.770 ( -6.050 -0.733 0.104) 6.095 1.820 ( -2.391 -0.096 2.357) 3.359 2.028 ( -6.642 0.103 -0.670) 6.676 2.179 ( -8.995 -0.331 -1.562) 9.135 2.236 ( -5.923 0.253 0.250) 5.934 2.344 ( -9.710 0.070 -2.553) 10.040 2.621 ( 1.536 -0.028 4.291) 4.557 2.987 ( 0.294 0.653 -6.991) 7.028 3.514 ( -3.305 0.167 1.066) 3.476 3.556 ( -8.047 0.218 -0.003) 8.049 3.611 ( -3.234 0.295 -2.378) 4.025 3.640 ( -5.585 0.606 -2.550) 6.169 3.891 ( 0.692 -0.097 1.092) 1.296 3.994 ( 5.979 0.233 -4.538) 7.510 4.147 ( -5.981 -2.069 4.244) 7.620 4.310 ( 7.844 2.349 3.182) 8.784 4.400 ( 1.347 -4.619 9.664) 10.795 4.799 ( 0.063 -0.238 -0.216) 0.328 4.951 ( 0.626 0.182 1.577) 1.706 5.009 ( 0.291 0.327 0.432) 0.615 5.190 ( -4.648 -0.349 1.746) 4.978 5.297 ( -6.575 -1.816 -0.719) 6.859 5.410 ( 2.213 -0.223 3.573) 4.209 5.874 ( 6.532 0.497 -9.692) 11.698 6.262 ( 2.059 -0.299 4.208) 4.694 6.295 ( 3.088 0.015 0.726) 3.172 ======================= Grid point 208 (81/129) ======================= q-point: (-0.42 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -1.192 10.021 5.147) 11.329 0.761 ( -3.748 6.679 6.530) 10.064 0.897 ( -2.475 -1.740 -1.243) 3.271 1.052 ( -5.257 -3.126 11.487) 13.014 1.117 ( -4.984 -0.505 8.928) 10.237 1.256 ( 0.318 2.271 -0.641) 2.381 1.428 ( -7.135 -0.618 -0.252) 7.166 1.478 ( -5.872 -1.885 -4.748) 7.783 1.485 ( -6.255 5.032 -2.700) 8.470 1.592 ( -0.995 -0.056 1.608) 1.892 1.712 ( -0.901 -3.553 1.010) 3.802 1.825 ( 2.968 -1.210 2.493) 4.061 1.989 ( 1.083 -1.522 -4.312) 4.699 2.058 ( -4.557 -1.684 -2.931) 5.673 2.145 ( -3.291 -0.143 -2.759) 4.297 2.165 ( -6.799 -0.636 -2.414) 7.243 2.658 ( 1.923 -0.186 5.009) 5.369 2.998 ( 1.048 0.920 -6.548) 6.695 3.386 ( -7.710 0.247 0.326) 7.721 3.449 ( -2.699 0.084 0.541) 2.754 3.472 ( -10.401 -0.206 -5.174) 11.618 3.521 ( -6.130 0.073 -2.349) 6.565 3.900 ( 0.163 0.183 2.392) 2.405 3.988 ( -7.202 -5.044 11.398) 14.395 4.113 ( 3.802 -0.416 2.047) 4.338 4.389 ( 3.079 1.846 9.668) 10.313 4.533 ( 5.725 -3.707 -0.123) 6.821 4.812 ( 0.947 -0.536 0.385) 1.154 4.973 ( 1.495 0.603 1.825) 2.435 5.014 ( 0.421 0.903 1.040) 1.440 5.095 ( -4.641 -0.300 1.089) 4.777 5.155 ( -7.686 -1.952 -0.361) 7.938 5.457 ( 1.940 0.039 3.934) 4.387 5.966 ( 2.980 0.583 -12.211) 12.583 6.324 ( 3.453 -0.316 5.221) 6.268 6.348 ( 2.193 0.362 1.111) 2.485 ======================= Grid point 209 (82/129) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 0.000 9.382 12.632) 15.735 0.685 ( 0.000 8.788 9.594) 13.010 0.871 ( 0.000 1.278 -3.191) 3.438 0.939 ( 0.000 3.798 14.223) 14.721 1.125 ( -0.000 -1.060 5.516) 5.617 1.241 ( 0.000 3.654 -4.361) 5.690 1.367 ( -0.000 -4.112 -0.062) 4.112 1.387 ( 0.000 5.984 -0.477) 6.003 1.405 ( -0.000 -1.964 -2.470) 3.156 1.585 ( -0.000 -0.043 1.539) 1.540 1.737 ( -0.000 -4.818 0.435) 4.837 1.898 ( -0.000 -1.242 2.704) 2.976 1.966 ( -0.000 -2.526 -2.530) 3.576 2.057 ( 0.000 0.044 -1.672) 1.673 2.078 ( -0.000 -2.662 -7.844) 8.284 2.149 ( -0.000 -2.496 -7.416) 7.825 2.688 ( -0.000 -0.878 4.710) 4.791 3.008 ( 0.000 0.887 -6.468) 6.528 3.300 ( 0.000 0.275 0.237) 0.363 3.303 ( 0.000 0.329 0.163) 0.367 3.420 ( 0.000 0.009 0.312) 0.312 3.453 ( 0.000 0.048 -0.504) 0.507 3.897 ( -0.000 -0.195 4.288) 4.293 3.943 ( -0.000 -5.264 14.958) 15.857 4.158 ( -0.000 -0.395 2.464) 2.496 4.412 ( 0.000 1.721 9.465) 9.620 4.615 ( -0.000 -4.262 -0.802) 4.337 4.831 ( -0.000 -1.024 1.500) 1.816 4.995 ( 0.000 0.030 2.047) 2.048 5.015 ( 0.000 1.178 1.229) 1.703 5.038 ( 0.000 0.087 0.164) 0.185 5.062 ( 0.000 0.113 -0.422) 0.437 5.477 ( 0.000 0.121 3.916) 3.918 5.991 ( 0.000 0.568 -12.801) 12.814 6.357 ( 0.000 0.975 2.247) 2.450 6.379 ( -0.000 -0.957 3.679) 3.801 ======================= Grid point 218 (83/129) ======================= q-point: (-0.58 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.860 -0.000 -2.290) 2.446 0.927 ( -4.202 0.000 -2.745) 5.019 1.002 ( -8.862 0.000 5.104) 10.227 1.008 ( 2.557 -0.000 5.640) 6.193 1.260 ( -7.270 0.000 14.744) 16.439 1.292 ( -4.744 0.000 -1.299) 4.918 1.483 ( 1.684 -0.000 -5.181) 5.447 1.604 ( -2.309 0.000 0.977) 2.507 1.623 ( -7.141 0.000 -0.289) 7.147 1.689 ( -7.541 0.000 -2.353) 7.899 1.765 ( -6.961 0.000 0.511) 6.980 1.820 ( -2.385 0.000 2.200) 3.244 2.028 ( -7.336 0.000 -0.654) 7.365 2.177 ( -9.123 0.000 -1.608) 9.263 2.237 ( -6.042 0.000 0.356) 6.052 2.345 ( -9.738 0.000 -2.585) 10.075 2.621 ( 1.513 -0.000 4.380) 4.634 2.991 ( 0.311 -0.000 -6.928) 6.935 3.515 ( -3.336 0.000 1.074) 3.504 3.557 ( -8.058 0.000 0.023) 8.058 3.613 ( -3.079 0.000 -2.251) 3.814 3.643 ( -5.765 0.000 -2.644) 6.343 3.891 ( 0.756 -0.000 1.103) 1.337 3.995 ( 5.980 -0.000 -4.613) 7.553 4.136 ( -7.189 0.000 4.689) 8.583 4.330 ( 10.499 -0.000 -1.191) 10.566 4.368 ( -0.742 0.000 14.210) 14.229 4.798 ( 0.038 -0.000 -0.219) 0.222 4.952 ( 0.722 -0.000 1.613) 1.767 5.011 ( 0.394 -0.000 0.434) 0.586 5.188 ( -4.653 0.000 1.683) 4.948 5.287 ( -6.724 0.000 -0.680) 6.758 5.409 ( 2.405 -0.000 3.704) 4.417 5.876 ( 6.550 -0.000 -9.674) 11.683 6.260 ( 1.982 -0.000 4.204) 4.648 6.295 ( 3.255 -0.000 0.640) 3.317 ======================= Grid point 220 (84/129) ======================= q-point: (-0.50 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -5.610 2.708 9.027) 10.968 0.843 ( 2.553 5.121 -3.096) 6.506 0.883 ( -2.507 -0.854 1.243) 2.926 1.030 ( -10.359 -0.785 16.825) 19.774 1.093 ( 2.490 -2.840 6.774) 7.756 1.276 ( 1.109 1.207 -0.037) 1.639 1.427 ( -8.581 -0.051 -1.978) 8.806 1.463 ( -6.395 -0.574 -5.110) 8.206 1.531 ( -4.489 3.069 -2.442) 5.961 1.588 ( -1.918 -0.694 0.923) 2.238 1.681 ( -1.672 -1.852 2.881) 3.811 1.819 ( 2.633 -0.191 2.405) 3.571 1.975 ( 1.281 -0.850 -5.037) 5.267 2.045 ( -5.677 -0.658 -2.343) 6.176 2.144 ( -2.816 -0.057 -3.028) 4.136 2.161 ( -7.858 -0.236 -2.135) 8.147 2.656 ( 1.792 -0.077 5.286) 5.582 3.005 ( 0.982 0.325 -6.332) 6.416 3.388 ( -7.728 0.089 0.356) 7.737 3.450 ( -2.790 0.023 0.512) 2.836 3.471 ( -11.181 -0.070 -5.160) 12.315 3.522 ( -5.908 -0.008 -1.775) 6.168 3.902 ( 0.363 0.180 2.373) 2.408 3.951 ( -7.117 -1.855 14.191) 15.984 4.112 ( 4.179 0.008 -0.204) 4.184 4.407 ( 2.948 1.239 11.069) 11.522 4.501 ( 5.883 -1.899 -1.663) 6.402 4.808 ( 0.837 -0.195 0.335) 0.922 4.977 ( 1.473 0.213 1.944) 2.448 5.020 ( 0.545 0.346 1.014) 1.202 5.093 ( -4.509 -0.127 1.009) 4.622 5.142 ( -6.934 -0.595 -0.376) 6.969 5.458 ( 1.980 0.011 4.036) 4.496 5.970 ( 2.851 0.175 -12.003) 12.338 6.322 ( 3.588 -0.135 5.398) 6.483 6.351 ( 2.174 0.170 0.780) 2.316 ======================= Grid point 221 (85/129) ======================= q-point: (-0.42 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 0.000 5.355 8.750) 10.259 0.766 ( 0.000 6.741 13.973) 15.514 0.871 ( 0.000 0.091 0.684) 0.690 0.943 ( -0.000 -3.076 8.311) 8.862 1.147 ( 0.000 3.765 6.925) 7.882 1.278 ( 0.000 3.129 -2.237) 3.846 1.328 ( -0.000 -3.030 -0.136) 3.033 1.383 ( -0.000 -2.010 -4.698) 5.110 1.451 ( 0.000 5.673 -2.449) 6.179 1.581 ( -0.000 -0.934 0.702) 1.168 1.688 ( -0.000 -3.992 2.932) 4.954 1.887 ( -0.000 -0.724 3.036) 3.121 1.948 ( -0.000 -0.910 -2.568) 2.724 2.044 ( -0.000 -3.341 -8.787) 9.401 2.057 ( 0.000 0.021 -1.741) 1.741 2.130 ( -0.000 -1.026 -6.098) 6.184 2.681 ( -0.000 -0.475 5.479) 5.499 3.015 ( 0.000 0.445 -6.121) 6.137 3.302 ( 0.000 0.161 0.237) 0.286 3.306 ( 0.000 0.192 0.152) 0.245 3.421 ( 0.000 0.003 0.314) 0.314 3.454 ( 0.000 0.025 -0.510) 0.510 3.889 ( -0.000 -1.362 14.367) 14.431 3.911 ( -0.000 -1.014 5.721) 5.810 4.157 ( 0.000 0.079 -0.001) 0.079 4.432 ( 0.000 1.796 9.990) 10.150 4.575 ( -0.000 -3.173 -1.530) 3.523 4.823 ( -0.000 -0.553 1.229) 1.347 4.996 ( 0.000 0.044 2.069) 2.069 5.025 ( 0.000 0.664 1.230) 1.398 5.039 ( 0.000 0.050 0.155) 0.163 5.063 ( 0.000 0.065 -0.436) 0.441 5.478 ( 0.000 0.060 4.054) 4.055 5.995 ( 0.000 0.220 -12.303) 12.305 6.364 ( 0.000 0.236 3.844) 3.851 6.374 ( -0.000 -0.114 1.932) 1.935 ======================= Grid point 233 (86/129) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 0.000 8.519) 8.519 0.804 ( 0.000 0.000 11.650) 11.650 0.887 ( -0.000 -0.000 17.627) 17.627 0.904 ( 0.000 0.000 -5.783) 5.783 1.171 ( 0.000 0.000 6.557) 6.557 1.300 ( 0.000 0.000 0.144) 0.144 1.308 ( -0.000 -0.000 -0.708) 0.708 1.370 ( 0.000 0.000 -6.613) 6.613 1.488 ( 0.000 0.000 -4.112) 4.112 1.571 ( 0.000 0.000 0.773) 0.773 1.665 ( 0.000 0.000 4.469) 4.469 1.883 ( 0.000 0.000 3.165) 3.165 1.944 ( 0.000 0.000 -2.280) 2.280 2.023 ( 0.000 0.000 -8.999) 8.999 2.057 ( 0.000 0.000 -1.766) 1.766 2.125 ( 0.000 0.000 -5.867) 5.867 2.679 ( 0.000 0.000 5.725) 5.725 3.018 ( 0.000 0.000 -6.015) 6.015 3.303 ( 0.000 0.000 0.237) 0.237 3.307 ( 0.000 0.000 0.147) 0.147 3.421 ( 0.000 0.000 0.315) 0.315 3.454 ( 0.000 0.000 -0.512) 0.512 3.881 ( 0.000 0.000 17.566) 17.566 3.907 ( 0.000 0.000 2.542) 2.542 4.157 ( 0.000 0.000 -0.646) 0.646 4.443 ( -0.000 -0.000 10.800) 10.800 4.556 ( 0.000 0.000 -2.323) 2.323 4.820 ( 0.000 0.000 1.140) 1.140 4.996 ( 0.000 0.000 2.077) 2.077 5.029 ( 0.000 0.000 1.224) 1.224 5.039 ( 0.000 0.000 0.152) 0.152 5.063 ( 0.000 0.000 -0.442) 0.442 5.478 ( 0.000 0.000 4.102) 4.102 5.996 ( 0.000 0.000 -12.129) 12.129 6.364 ( 0.000 0.000 4.864) 4.864 6.374 ( 0.000 0.000 0.871) 0.871 ======================= Grid point 302 (87/129) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 0.000 0.000 12.934) 12.934 0.660 ( 0.000 0.000 -11.558) 11.558 0.682 ( 0.000 0.000 16.603) 16.603 0.953 ( 0.000 0.000 -12.888) 12.888 1.054 ( 0.000 0.000 12.349) 12.349 1.207 ( 0.000 0.000 -6.121) 6.121 1.462 ( 0.000 0.000 0.723) 0.723 1.472 ( 0.000 0.000 -0.401) 0.401 1.475 ( 0.000 0.000 20.326) 20.326 1.698 ( 0.000 0.000 4.730) 4.730 1.727 ( 0.000 0.000 -4.404) 4.404 1.900 ( 0.000 0.000 -16.639) 16.639 1.977 ( 0.000 0.000 2.344) 2.344 2.020 ( 0.000 0.000 -2.237) 2.237 2.111 ( 0.000 0.000 1.221) 1.221 2.138 ( 0.000 0.000 -1.611) 1.611 2.735 ( 0.000 0.000 1.743) 1.743 2.807 ( 0.000 0.000 -6.581) 6.581 3.295 ( 0.000 0.000 0.172) 0.172 3.295 ( 0.000 0.000 0.111) 0.111 3.428 ( 0.000 0.000 0.578) 0.578 3.440 ( 0.000 0.000 -0.698) 0.698 3.945 ( 0.000 0.000 2.973) 2.973 4.010 ( 0.000 0.000 -4.184) 4.184 4.427 ( 0.000 0.000 5.211) 5.211 4.512 ( 0.000 0.000 -4.165) 4.165 4.917 ( 0.000 0.000 3.781) 3.781 4.969 ( 0.000 0.000 1.396) 1.396 4.978 ( 0.000 0.000 -0.433) 0.433 4.989 ( 0.000 0.000 -3.070) 3.070 5.041 ( 0.000 0.000 0.406) 0.406 5.050 ( 0.000 0.000 -0.507) 0.507 5.566 ( 0.000 0.000 7.021) 7.021 5.720 ( 0.000 0.000 -9.431) 9.431 6.390 ( 0.000 0.000 3.957) 3.957 6.450 ( 0.000 0.000 -2.593) 2.593 ======================= Grid point 303 (88/129) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 10.111 -1.590 10.302) 14.522 0.732 ( 6.138 -0.729 -0.259) 6.187 0.756 ( 6.802 -1.768 4.474) 8.331 0.987 ( 2.289 -0.792 -11.720) 11.968 1.154 ( 8.259 -1.042 6.782) 10.737 1.250 ( 4.418 -0.525 -4.079) 6.036 1.483 ( 2.427 0.129 10.131) 10.419 1.524 ( 5.224 0.649 -0.905) 5.341 1.571 ( 8.425 0.611 11.486) 14.257 1.675 ( -1.047 0.290 5.066) 5.182 1.730 ( 0.644 0.096 -3.046) 3.115 1.924 ( 3.303 0.179 -15.941) 16.280 1.989 ( 0.148 0.890 1.634) 1.867 2.011 ( -1.909 0.537 -0.734) 2.115 2.142 ( 3.244 0.339 -0.642) 3.325 2.143 ( 3.345 0.026 -0.797) 3.439 2.712 ( -1.806 -0.335 2.819) 3.365 2.794 ( -1.168 -0.665 -6.828) 6.959 3.375 ( 7.109 -0.175 0.252) 7.116 3.393 ( 7.641 -0.230 -2.213) 7.958 3.457 ( 2.729 -0.049 0.822) 2.851 3.475 ( 3.322 -0.079 -1.176) 3.525 3.945 ( -0.201 0.111 2.726) 2.735 4.001 ( -1.323 0.151 -3.475) 3.721 4.379 ( -4.379 0.282 4.064) 5.981 4.444 ( -6.430 0.329 -3.030) 7.116 4.800 ( -6.844 1.464 3.663) 7.899 4.836 ( -3.948 0.219 -0.625) 4.003 4.965 ( -0.180 -0.341 1.483) 1.532 4.981 ( 0.105 -0.343 -0.143) 0.386 5.160 ( 7.413 0.361 4.164) 8.511 5.262 ( 10.015 1.506 -7.207) 12.430 5.547 ( -1.826 -0.212 7.002) 7.239 5.700 ( -2.135 -0.595 -9.298) 9.559 6.373 ( -1.515 0.120 3.159) 3.505 6.411 ( -3.210 0.422 -0.735) 3.320 ======================= Grid point 304 (89/129) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 13.344 0.981 7.612) 15.394 0.861 ( 5.426 -0.907 6.789) 8.738 0.943 ( 10.597 0.182 -6.082) 12.219 1.020 ( 0.781 -0.608 -7.591) 7.655 1.322 ( 7.633 -1.429 2.406) 8.129 1.383 ( 7.222 -3.173 -3.432) 8.602 1.559 ( 4.886 0.206 4.853) 6.889 1.605 ( 3.127 1.788 -2.436) 4.349 1.676 ( 1.936 0.305 6.735) 7.014 1.759 ( 4.047 1.535 -1.034) 4.451 1.790 ( 9.342 2.242 9.263) 13.346 1.915 ( -3.378 3.103 -1.332) 4.777 1.978 ( 1.117 -2.394 1.511) 3.043 2.102 ( 12.040 -0.848 -9.693) 15.480 2.220 ( 5.099 -0.684 3.095) 6.004 2.280 ( 7.747 -0.336 -3.279) 8.419 2.683 ( -1.009 -0.411 3.774) 3.928 2.782 ( -0.177 -0.882 -7.565) 7.618 3.524 ( 3.739 -0.308 1.610) 4.082 3.532 ( 7.489 -0.473 -0.300) 7.509 3.540 ( 6.351 -0.537 -1.632) 6.579 3.559 ( 4.730 -0.395 -2.209) 5.236 3.919 ( -2.928 0.175 0.745) 3.026 3.934 ( -5.495 -0.068 -1.222) 5.630 4.280 ( -5.137 0.791 1.108) 5.314 4.292 ( -7.226 -0.204 -0.141) 7.230 4.723 ( -0.922 1.462 5.232) 5.510 4.794 ( -0.431 0.447 -2.458) 2.535 4.965 ( 0.163 -0.223 1.485) 1.510 4.986 ( 0.290 -0.282 -0.697) 0.805 5.281 ( 4.915 0.720 5.181) 7.178 5.391 ( 4.198 2.118 -6.183) 7.768 5.503 ( -2.455 -0.137 5.684) 6.193 5.644 ( -3.876 -0.913 -8.715) 9.581 6.336 ( -2.060 0.523 1.518) 2.612 6.341 ( -3.224 0.499 1.251) 3.494 ======================= Grid point 305 (90/129) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 1.446 -0.077 3.832) 4.097 1.007 ( -0.752 0.685 -4.000) 4.127 1.049 ( 13.515 3.248 6.251) 15.240 1.172 ( 11.599 2.116 -6.364) 13.399 1.477 ( 6.899 -0.492 1.703) 7.123 1.525 ( 4.416 -1.927 -3.292) 5.836 1.635 ( 2.108 2.963 0.529) 3.675 1.645 ( 3.258 1.861 -0.560) 3.794 1.720 ( 2.705 1.113 7.449) 8.003 1.814 ( -0.271 0.753 -0.496) 0.942 1.832 ( 1.230 -0.536 -0.753) 1.539 1.849 ( -0.431 -0.621 -1.437) 1.623 2.192 ( 13.009 -3.612 9.018) 16.236 2.264 ( 1.917 -2.158 1.729) 3.365 2.404 ( 4.475 0.028 -2.846) 5.303 2.434 ( 15.748 -0.066 -4.714) 16.439 2.701 ( 3.351 -0.308 4.100) 5.304 2.804 ( 2.003 -0.699 -7.818) 8.101 3.574 ( -0.065 -0.579 3.357) 3.408 3.637 ( 2.684 -0.300 -2.939) 3.992 3.644 ( 3.698 -0.298 0.696) 3.775 3.664 ( 4.793 -0.524 -1.469) 5.040 3.816 ( -4.862 -0.137 -1.464) 5.079 3.820 ( -6.147 -0.115 -1.797) 6.406 4.167 ( -3.804 0.160 3.939) 5.478 4.215 ( -2.259 0.322 -0.813) 2.423 4.721 ( 0.941 1.499 5.413) 5.695 4.799 ( 0.749 0.588 -2.636) 2.803 4.978 ( 1.313 0.007 0.745) 1.509 4.995 ( 0.531 -0.046 -0.935) 1.076 5.347 ( 2.176 0.735 4.817) 5.337 5.406 ( -1.752 0.454 3.446) 3.892 5.473 ( -0.058 1.319 -3.267) 3.524 5.562 ( -4.668 -0.861 -7.684) 9.032 6.276 ( -2.629 0.695 2.343) 3.590 6.300 ( -1.501 0.759 -0.231) 1.698 ======================= Grid point 306 (91/129) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -0.415 -0.024 2.315) 2.352 0.981 ( -1.517 -0.063 -2.406) 2.845 1.276 ( 11.142 5.047 5.369) 13.359 1.369 ( 9.223 4.951 -4.184) 11.273 1.504 ( -1.954 5.866 0.446) 6.199 1.538 ( -1.195 5.377 -3.100) 6.320 1.694 ( 3.153 -1.056 1.029) 3.481 1.709 ( 4.434 -1.161 -0.728) 4.641 1.786 ( 3.763 0.266 5.323) 6.524 1.819 ( 1.115 -3.464 0.274) 3.649 1.860 ( 1.651 -4.213 1.233) 4.690 1.902 ( 2.022 -2.132 -1.611) 3.351 2.278 ( -0.750 -1.872 1.187) 2.340 2.323 ( -2.024 -1.730 -3.165) 4.136 2.524 ( 7.902 -0.898 10.792) 13.405 2.724 ( 11.199 -0.252 -8.673) 14.167 2.813 ( 7.005 -0.313 2.580) 7.471 2.865 ( 4.440 -0.256 -4.327) 6.205 3.500 ( -6.222 -0.416 4.104) 7.465 3.587 ( -7.085 -0.508 -5.335) 8.883 3.693 ( 1.435 0.171 1.787) 2.298 3.731 ( 1.786 0.328 -2.114) 2.787 3.774 ( 2.432 0.073 1.037) 2.645 3.805 ( 2.519 0.085 -2.216) 3.356 4.127 ( -0.715 0.086 5.125) 5.176 4.193 ( 0.188 0.173 -1.557) 1.577 4.721 ( -0.751 1.010 5.480) 5.623 4.800 ( -0.598 0.463 -2.615) 2.722 5.018 ( 2.321 0.081 0.109) 2.325 5.029 ( 3.908 0.114 -0.938) 4.021 5.350 ( -2.882 0.106 5.008) 5.779 5.366 ( -0.188 0.409 4.870) 4.891 5.454 ( -2.697 0.657 -5.334) 6.013 5.482 ( -2.556 0.188 -6.648) 7.125 6.229 ( -1.770 0.603 2.915) 3.464 6.271 ( -1.016 0.825 -1.526) 2.011 ======================= Grid point 307 (92/129) ======================= q-point: ( 0.42 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -0.266 -0.257 1.410) 1.458 0.953 ( -1.366 -0.420 -1.219) 1.879 1.365 ( -1.668 5.154 4.377) 6.965 1.416 ( 1.125 4.739 -0.679) 4.918 1.483 ( 2.839 4.368 1.510) 5.424 1.546 ( 4.901 3.208 -3.974) 7.078 1.736 ( 0.545 -1.494 1.639) 2.284 1.766 ( 0.912 -0.520 -1.075) 1.502 1.858 ( 2.568 -2.541 0.966) 3.739 1.870 ( 1.598 -2.851 -0.333) 3.286 1.928 ( 0.423 -1.741 2.925) 3.430 1.955 ( 5.054 -1.283 0.417) 5.231 2.242 ( -5.603 -1.021 -0.837) 5.757 2.271 ( -0.530 -1.192 -3.101) 3.364 2.634 ( 2.745 -0.516 9.433) 9.838 2.824 ( 1.039 0.064 -10.374) 10.426 2.946 ( 5.187 -0.389 3.357) 6.191 2.996 ( 6.240 -0.158 -1.936) 6.535 3.394 ( -3.920 -0.104 3.193) 5.057 3.463 ( -4.641 -0.226 -4.293) 6.326 3.708 ( 0.332 0.212 1.671) 1.717 3.747 ( 0.397 0.379 -2.605) 2.662 3.842 ( 3.625 0.341 1.620) 3.985 3.865 ( 2.917 0.295 -0.888) 3.064 4.119 ( -0.335 -0.032 6.144) 6.153 4.215 ( 1.824 0.047 -3.876) 4.284 4.679 ( -2.656 0.353 6.468) 7.002 4.775 ( -1.425 0.199 -3.511) 3.795 5.088 ( 4.500 0.034 1.773) 4.837 5.128 ( 5.869 0.024 -2.339) 6.317 5.282 ( -3.836 0.075 3.964) 5.517 5.353 ( -1.198 0.403 3.272) 3.508 5.366 ( -4.727 -0.158 -3.278) 5.754 5.454 ( -0.803 0.630 -5.971) 6.057 6.200 ( -0.907 0.344 3.197) 3.341 6.251 ( -0.550 0.523 -2.286) 2.408 ======================= Grid point 308 (93/129) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.000 -0.000 0.653) 0.653 0.936 ( 0.000 -0.000 -0.288) 0.288 1.323 ( 0.000 -0.000 4.650) 4.650 1.397 ( 0.000 -0.000 -3.329) 3.329 1.519 ( 0.000 -0.000 4.148) 4.148 1.589 ( 0.000 -0.000 -2.785) 2.785 1.742 ( 0.000 -0.000 1.724) 1.724 1.775 ( 0.000 -0.000 -1.568) 1.568 1.891 ( 0.000 -0.000 0.916) 0.916 1.906 ( 0.000 -0.000 -0.800) 0.800 1.922 ( 0.000 -0.000 5.380) 5.380 2.041 ( 0.000 -0.000 -7.484) 7.484 2.160 ( -0.000 -0.000 6.432) 6.432 2.270 ( 0.000 -0.000 -5.115) 5.115 2.658 ( 0.000 -0.000 8.164) 8.164 2.829 ( 0.000 -0.000 -9.545) 9.545 3.000 ( 0.000 -0.000 3.883) 3.883 3.060 ( 0.000 -0.000 -2.442) 2.442 3.355 ( 0.000 -0.000 2.849) 2.849 3.418 ( 0.000 -0.000 -3.902) 3.902 3.710 ( 0.000 -0.000 1.631) 1.631 3.749 ( 0.000 -0.000 -2.661) 2.661 3.883 ( 0.000 -0.000 1.197) 1.197 3.896 ( 0.000 -0.000 -0.013) 0.013 4.114 ( 0.000 -0.000 7.321) 7.321 4.240 ( 0.000 -0.000 -6.143) 6.143 4.644 ( 0.000 -0.000 7.803) 7.803 4.757 ( 0.000 -0.000 -4.208) 4.208 5.164 ( 0.000 -0.000 3.513) 3.513 5.214 ( 0.000 -0.000 2.073) 2.073 5.241 ( 0.000 -0.000 -4.118) 4.118 5.260 ( 0.000 -0.000 -2.466) 2.466 5.347 ( 0.000 -0.000 4.462) 4.462 5.444 ( 0.000 -0.000 -5.873) 5.873 6.190 ( 0.000 -0.000 3.274) 3.274 6.244 ( 0.000 -0.000 -2.526) 2.526 ======================= Grid point 316 (94/129) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 14.154 -0.000 7.419) 15.981 0.856 ( 5.599 -0.000 7.670) 9.496 0.944 ( 11.779 -0.000 -6.362) 13.388 1.017 ( 0.660 -0.000 -7.949) 7.976 1.315 ( 7.698 -0.000 1.627) 7.868 1.365 ( 6.927 -0.000 -2.994) 7.547 1.560 ( 4.928 -0.000 5.876) 7.669 1.614 ( 3.313 -0.000 -2.574) 4.195 1.678 ( 1.999 -0.000 6.408) 6.713 1.766 ( 2.858 -0.000 -3.103) 4.219 1.805 ( 12.125 -0.000 11.878) 16.974 1.938 ( -3.695 0.000 -1.618) 4.034 1.959 ( -1.187 0.000 1.732) 2.099 2.097 ( 11.814 -0.000 -10.537) 15.830 2.216 ( 5.249 -0.000 3.263) 6.181 2.278 ( 7.760 -0.000 -3.339) 8.448 2.681 ( -0.933 0.000 3.616) 3.735 2.777 ( -0.070 0.000 -7.496) 7.496 3.522 ( 3.729 -0.000 1.571) 4.046 3.529 ( 7.611 -0.000 -0.411) 7.622 3.537 ( 6.291 -0.000 -1.619) 6.496 3.557 ( 4.653 -0.000 -2.177) 5.137 3.920 ( -2.964 0.000 0.696) 3.045 3.934 ( -5.589 0.000 -1.136) 5.703 4.285 ( -4.441 0.000 0.893) 4.529 4.290 ( -8.045 0.000 0.021) 8.045 4.730 ( -1.056 0.000 4.811) 4.926 4.796 ( -0.430 0.000 -2.290) 2.330 4.964 ( 0.244 -0.000 1.470) 1.490 4.985 ( 0.385 -0.000 -0.685) 0.786 5.285 ( 4.874 -0.000 5.443) 7.306 5.403 ( 3.796 -0.000 -6.594) 7.609 5.502 ( -2.249 0.000 5.193) 5.659 5.639 ( -3.824 0.000 -8.395) 9.225 6.339 ( -1.826 0.000 1.548) 2.394 6.343 ( -3.435 0.000 1.289) 3.668 ======================= Grid point 317 (95/129) ======================= q-point: ( 0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 1.618 -0.132 4.092) 4.402 1.011 ( -1.097 0.155 -4.430) 4.567 1.078 ( 14.241 1.676 5.898) 15.505 1.190 ( 12.765 1.005 -5.563) 13.961 1.470 ( 7.848 -0.460 0.495) 7.877 1.502 ( 5.905 -1.610 -2.575) 6.640 1.655 ( 4.199 0.687 1.590) 4.543 1.667 ( 2.620 1.530 -0.784) 3.134 1.731 ( 3.041 0.640 6.452) 7.161 1.820 ( -3.938 0.342 0.938) 4.063 1.829 ( 1.356 -0.190 -2.236) 2.622 1.847 ( -3.274 0.051 -1.855) 3.764 2.163 ( 13.865 -1.577 10.082) 17.216 2.247 ( 2.081 -0.899 1.509) 2.723 2.404 ( 4.398 0.002 -2.784) 5.205 2.433 ( 15.858 -0.015 -4.877) 16.591 2.698 ( 3.405 -0.110 3.999) 5.253 2.799 ( 2.209 -0.253 -7.679) 7.994 3.570 ( -0.083 -0.220 3.367) 3.375 3.634 ( 2.479 -0.129 -3.327) 4.151 3.642 ( 4.032 -0.106 0.790) 4.110 3.661 ( 5.164 -0.174 -1.292) 5.325 3.815 ( -4.656 -0.053 -1.504) 4.893 3.819 ( -6.327 -0.040 -1.810) 6.581 4.168 ( -3.829 0.063 4.070) 5.588 4.217 ( -2.327 0.108 -0.768) 2.453 4.732 ( 0.715 0.544 4.929) 5.010 4.803 ( 0.703 0.217 -2.398) 2.508 4.978 ( 1.397 0.003 0.698) 1.561 4.994 ( 0.603 -0.016 -0.944) 1.120 5.352 ( 2.068 0.272 5.185) 5.589 5.408 ( -2.323 0.095 4.313) 4.900 5.485 ( 0.283 0.676 -5.184) 5.236 5.555 ( -4.600 -0.441 -7.267) 8.612 6.282 ( -2.693 0.271 2.445) 3.647 6.305 ( -1.481 0.278 -0.200) 1.520 ======================= Grid point 318 (96/129) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -0.468 -0.021 2.218) 2.267 0.980 ( -1.753 -0.048 -2.464) 3.025 1.324 ( 11.398 3.598 5.150) 13.015 1.414 ( 10.261 3.349 -4.166) 11.569 1.558 ( -0.435 3.946 0.069) 3.970 1.583 ( 0.736 2.726 -2.639) 3.865 1.690 ( 1.191 0.697 0.735) 1.563 1.703 ( 2.020 0.518 -0.705) 2.201 1.776 ( 0.174 -3.563 0.845) 3.666 1.781 ( 1.561 -2.471 1.331) 3.212 1.821 ( 3.658 -2.485 4.483) 6.297 1.889 ( 1.924 -0.637 -1.073) 2.293 2.261 ( -0.465 -1.209 1.263) 1.809 2.307 ( -1.183 -1.212 -2.908) 3.365 2.517 ( 7.696 -0.419 10.838) 13.299 2.722 ( 11.192 -0.129 -9.038) 14.386 2.811 ( 7.001 -0.175 2.684) 7.500 2.863 ( 4.618 -0.138 -4.230) 6.264 3.496 ( -6.030 -0.243 4.090) 7.291 3.583 ( -6.934 -0.297 -5.260) 8.708 3.694 ( 1.491 0.095 1.851) 2.379 3.733 ( 1.898 0.183 -2.155) 2.877 3.775 ( 2.593 0.041 1.023) 2.788 3.805 ( 2.695 0.049 -2.215) 3.489 4.128 ( -0.771 0.055 5.198) 5.255 4.194 ( 0.110 0.092 -1.528) 1.534 4.730 ( -1.113 0.584 5.178) 5.328 4.804 ( -0.733 0.270 -2.422) 2.545 5.019 ( 2.309 0.049 0.087) 2.311 5.030 ( 3.926 0.063 -0.973) 4.045 5.351 ( -3.087 0.052 5.197) 6.045 5.369 ( -0.129 0.218 5.022) 5.028 5.459 ( -4.075 0.385 -5.783) 7.085 5.484 ( -1.257 0.116 -6.732) 6.850 6.235 ( -1.887 0.368 3.095) 3.644 6.278 ( -1.127 0.473 -1.555) 1.978 ======================= Grid point 319 (97/129) ======================= q-point: ( 0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -0.281 -0.131 1.222) 1.261 0.949 ( -1.365 -0.287 -1.175) 1.824 1.423 ( -2.296 5.371 4.359) 7.288 1.469 ( -0.510 5.107 -0.186) 5.136 1.524 ( -0.027 3.374 0.653) 3.437 1.573 ( 3.262 1.837 -3.244) 4.954 1.712 ( 0.565 -2.853 1.523) 3.283 1.747 ( 0.412 -3.317 -1.983) 3.886 1.835 ( 3.539 -1.222 0.765) 3.822 1.845 ( 3.816 -1.755 -0.350) 4.215 1.914 ( 0.381 -0.826 3.766) 3.874 1.947 ( 6.939 -0.325 0.766) 6.989 2.231 ( -5.473 -0.903 -1.142) 5.664 2.259 ( -0.064 -0.991 -3.195) 3.346 2.629 ( 3.002 -0.423 9.845) 10.301 2.825 ( 1.181 0.090 -10.656) 10.722 2.942 ( 5.245 -0.310 3.584) 6.361 2.994 ( 6.283 -0.105 -2.031) 6.604 3.393 ( -3.823 -0.076 3.187) 4.978 3.461 ( -4.519 -0.175 -4.156) 6.142 3.710 ( 0.277 0.146 1.734) 1.762 3.751 ( 0.302 0.270 -2.709) 2.739 3.845 ( 3.605 0.254 1.643) 3.970 3.868 ( 2.876 0.218 -0.817) 2.998 4.119 ( -0.371 -0.016 6.182) 6.193 4.216 ( 1.783 0.031 -3.892) 4.281 4.682 ( -2.916 0.258 6.390) 7.029 4.777 ( -1.547 0.147 -3.437) 3.772 5.088 ( 4.453 0.026 1.747) 4.783 5.128 ( 5.794 0.022 -2.353) 6.253 5.283 ( -3.825 0.049 3.972) 5.515 5.357 ( -0.838 0.197 4.554) 4.635 5.365 ( -5.143 -0.011 -4.383) 6.758 5.460 ( -1.056 0.447 -6.258) 6.363 6.204 ( -1.070 0.262 3.340) 3.517 6.256 ( -0.777 0.381 -2.324) 2.480 ======================= Grid point 320 (98/129) ======================= q-point: ( 0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.221 0.035 0.592) 0.633 0.936 ( 0.319 -0.138 -0.239) 0.422 1.335 ( -2.435 2.262 4.598) 5.674 1.406 ( -2.165 1.736 -3.121) 4.176 1.505 ( -3.442 -2.661 4.143) 6.008 1.579 ( -2.554 -1.992 -3.213) 4.562 1.740 ( 1.063 -0.346 1.477) 1.853 1.763 ( 0.002 -1.765 -0.758) 1.921 1.906 ( 2.286 1.586 0.515) 2.829 1.907 ( 0.760 0.989 2.005) 2.361 1.928 ( 2.720 1.116 2.719) 4.005 2.040 ( -0.808 -0.250 -7.469) 7.516 2.159 ( 1.185 -0.152 6.390) 6.500 2.269 ( 0.627 -0.162 -5.134) 5.175 2.657 ( 0.168 -0.172 8.229) 8.233 2.829 ( -0.106 0.078 -9.674) 9.675 2.999 ( 0.240 -0.065 3.974) 3.981 3.060 ( 0.113 0.020 -2.445) 2.448 3.355 ( 0.028 0.001 2.848) 2.848 3.418 ( 0.105 -0.013 -3.895) 3.897 3.710 ( -0.145 -0.013 1.632) 1.639 3.749 ( -0.249 0.002 -2.669) 2.681 3.884 ( -0.273 0.009 1.196) 1.227 3.896 ( -0.214 0.001 -0.009) 0.214 4.114 ( 0.065 0.008 7.314) 7.315 4.240 ( -0.017 -0.006 -6.141) 6.141 4.644 ( -0.128 -0.002 7.804) 7.805 4.757 ( -0.086 0.002 -4.209) 4.210 5.164 ( 0.104 0.006 3.514) 3.516 5.214 ( -0.159 0.036 2.117) 2.124 5.241 ( 0.750 -0.062 -4.141) 4.209 5.260 ( -0.870 0.005 -2.482) 2.630 5.347 ( -0.040 0.013 4.456) 4.456 5.444 ( -0.343 0.009 -5.874) 5.884 6.190 ( -0.181 0.001 3.274) 3.279 6.244 ( -0.285 0.001 -2.526) 2.542 ======================= Grid point 321 (99/129) ======================= q-point: (-0.50 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.283 0.352 1.608) 1.670 0.957 ( 1.450 0.454 -1.227) 1.953 1.319 ( -0.365 -3.579 4.739) 5.950 1.372 ( -3.330 -3.574 -0.587) 4.921 1.435 ( -3.537 -4.542 1.612) 5.978 1.508 ( -5.566 -3.749 -4.845) 8.277 1.746 ( -0.571 0.598 1.522) 1.732 1.766 ( -0.515 -0.380 0.075) 0.644 1.879 ( -2.651 1.368 1.556) 3.365 1.896 ( -2.959 1.752 -0.307) 3.452 1.952 ( -0.433 2.843 1.997) 3.501 1.976 ( -1.221 2.513 -0.290) 2.809 2.252 ( 5.736 0.834 -0.519) 5.820 2.283 ( 1.056 1.040 -3.040) 3.382 2.639 ( -2.335 0.437 9.018) 9.325 2.824 ( -0.897 -0.001 -10.229) 10.268 2.950 ( -5.076 0.357 3.242) 6.033 2.998 ( -6.200 0.173 -1.822) 6.464 3.395 ( 4.031 0.103 3.196) 5.145 3.466 ( 4.783 0.211 -4.440) 6.529 3.705 ( -0.396 -0.227 1.595) 1.659 3.743 ( -0.517 -0.390 -2.492) 2.575 3.838 ( -3.653 -0.334 1.594) 4.000 3.862 ( -2.963 -0.291 -0.965) 3.130 4.119 ( 0.296 0.044 6.089) 6.097 4.215 ( -1.872 -0.052 -3.851) 4.283 4.675 ( 2.359 -0.354 6.562) 6.982 4.773 ( 1.285 -0.196 -3.598) 3.826 5.088 ( -4.556 -0.032 1.805) 4.900 5.128 ( -5.960 -0.015 -2.329) 6.399 5.282 ( 3.854 -0.084 3.955) 5.522 5.349 ( 1.446 -0.452 2.331) 2.780 5.368 ( 4.442 0.224 -2.560) 5.132 5.447 ( 0.467 -0.656 -5.612) 5.669 6.197 ( 0.733 -0.326 3.020) 3.125 6.246 ( 0.283 -0.527 -2.232) 2.310 ======================= Grid point 322 (100/129) ======================= q-point: (-0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.167 -0.033 2.461) 2.467 0.981 ( 1.061 0.053 -2.317) 2.549 1.224 ( -10.291 -4.680 5.635) 12.631 1.315 ( -7.559 -5.123 -3.611) 9.820 1.442 ( 1.288 -5.689 0.213) 5.837 1.479 ( 0.866 -5.629 -3.503) 6.686 1.707 ( -3.013 1.310 1.112) 3.469 1.722 ( -4.565 1.073 -0.640) 4.733 1.781 ( -4.445 -0.671 6.198) 7.657 1.844 ( -1.948 1.383 -0.725) 2.497 1.904 ( -2.001 4.105 1.181) 4.717 1.934 ( -2.369 3.467 -1.752) 4.550 2.298 ( 0.999 1.845 0.999) 2.324 2.340 ( 2.883 1.462 -3.304) 4.622 2.536 ( -7.968 1.317 10.515) 13.258 2.727 ( -11.192 0.335 -8.114) 13.828 2.817 ( -7.039 0.374 2.440) 7.459 2.868 ( -4.162 0.328 -4.473) 6.118 3.505 ( 6.479 0.473 4.121) 7.693 3.593 ( 7.287 0.574 -5.436) 9.110 3.691 ( -1.354 -0.209 1.694) 2.178 3.727 ( -1.629 -0.398 -2.055) 2.652 3.773 ( -2.208 -0.088 1.055) 2.449 3.804 ( -2.282 -0.097 -2.219) 3.184 4.126 ( 0.640 -0.083 5.009) 5.051 4.191 ( -0.312 -0.222 -1.583) 1.628 4.709 ( 0.252 -1.164 5.905) 6.023 4.795 ( 0.417 -0.527 -2.877) 2.955 5.017 ( -2.322 -0.085 0.129) 2.328 5.027 ( -3.903 -0.142 -0.883) 4.004 5.349 ( 2.451 -0.151 4.685) 5.290 5.361 ( 0.395 -0.523 4.678) 4.723 5.446 ( 1.292 -0.745 -4.695) 4.927 5.480 ( 3.871 -0.190 -6.507) 7.574 6.223 ( 1.635 -0.637 2.635) 3.166 6.261 ( 0.862 -0.967 -1.459) 1.951 ======================= Grid point 323 (101/129) ======================= q-point: (-0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -2.274 -1.219 3.446) 4.305 0.995 ( -0.298 -1.549 -3.399) 3.747 1.022 ( -11.090 -1.469 6.506) 12.941 1.152 ( -9.256 -1.422 -6.792) 11.568 1.467 ( -4.093 -2.825 2.099) 5.399 1.521 ( -0.287 -3.282 -3.630) 4.902 1.617 ( -3.945 -0.095 1.410) 4.190 1.631 ( -3.710 -0.268 -0.429) 3.744 1.711 ( -3.079 -0.562 7.102) 7.761 1.806 ( -2.373 -0.784 -1.749) 3.050 1.841 ( -2.674 1.262 0.334) 2.975 1.860 ( -2.170 1.350 -1.202) 2.824 2.233 ( -12.336 3.974 7.769) 15.111 2.288 ( -1.893 2.399 2.082) 3.698 2.403 ( -4.578 -0.085 -2.948) 5.446 2.435 ( -15.630 0.138 -4.423) 16.245 2.705 ( -3.251 0.442 4.285) 5.397 2.813 ( -1.675 0.971 -8.043) 8.273 3.581 ( -0.013 0.737 3.320) 3.401 3.640 ( -2.925 0.334 -2.433) 3.820 3.648 ( -3.180 0.403 0.702) 3.281 3.672 ( -4.152 0.811 -1.769) 4.586 3.818 ( 5.257 0.170 -1.383) 5.438 3.821 ( 5.782 0.170 -1.787) 6.055 4.165 ( 3.780 -0.174 3.660) 5.264 4.210 ( 2.114 -0.525 -0.862) 2.342 4.702 ( -1.348 -2.077 6.301) 6.770 4.791 ( -0.830 -0.792 -3.049) 3.257 4.978 ( -1.168 -0.009 0.825) 1.430 4.995 ( -0.397 0.067 -0.923) 1.007 5.337 ( -2.378 -0.999 4.262) 4.982 5.398 ( 0.423 -1.100 1.495) 1.904 5.461 ( 0.916 -0.980 0.026) 1.342 5.571 ( 4.903 0.822 -8.037) 9.450 6.268 ( 2.550 -0.843 2.125) 3.425 6.290 ( 1.543 -1.039 -0.248) 1.876 ======================= Grid point 324 (102/129) ======================= q-point: (-0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -11.021 -0.560 7.384) 13.278 0.873 ( -5.640 1.110 3.971) 6.986 0.941 ( -6.973 -0.149 -3.798) 7.942 1.032 ( -1.330 1.690 -6.830) 7.160 1.342 ( -7.316 1.956 3.997) 8.563 1.425 ( -7.343 4.403 -4.327) 9.593 1.556 ( -4.759 -0.499 1.883) 5.142 1.577 ( -2.649 -3.386 -1.880) 4.692 1.670 ( -1.909 -0.975 8.236) 8.510 1.728 ( -6.767 -3.722 5.144) 9.279 1.774 ( -4.681 -0.664 1.968) 5.121 1.881 ( 2.381 -3.255 -1.937) 4.474 2.002 ( -4.790 2.187 2.018) 5.639 2.112 ( -12.596 0.821 -8.057) 14.975 2.229 ( -4.995 0.961 2.668) 5.744 2.284 ( -7.748 0.465 -3.145) 8.375 2.689 ( 1.201 0.697 4.192) 4.415 2.794 ( 0.440 1.458 -7.742) 7.890 3.528 ( -3.816 0.422 1.593) 4.156 3.538 ( -7.194 0.678 -0.152) 7.228 3.548 ( -6.412 1.015 -1.446) 6.651 3.566 ( -4.975 0.804 -2.254) 5.521 3.916 ( 2.818 -0.258 0.854) 2.956 3.935 ( 5.269 0.075 -1.436) 5.462 4.270 ( 4.883 -1.168 1.732) 5.311 4.293 ( 7.142 0.101 -0.613) 7.169 4.701 ( 0.591 -2.539 6.399) 6.910 4.787 ( 0.410 -0.791 -2.906) 3.040 4.969 ( 0.060 0.401 1.524) 1.577 4.991 ( -0.040 0.489 -0.725) 0.876 5.271 ( -5.014 -1.230 4.515) 6.858 5.362 ( -4.993 -3.299 -4.985) 7.789 5.505 ( 2.808 0.341 6.516) 7.103 5.656 ( 4.016 1.264 -9.310) 10.218 6.329 ( 2.525 -0.791 1.426) 3.006 6.334 ( 2.874 -0.782 1.152) 3.194 ======================= Grid point 325 (103/129) ======================= q-point: (-0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -7.503 4.515 9.396) 12.844 0.746 ( -5.328 1.860 -2.528) 6.183 0.791 ( -6.002 4.566 6.341) 9.853 1.002 ( -1.608 2.106 -10.836) 11.156 1.175 ( -7.894 2.766 6.050) 10.323 1.261 ( -5.624 1.819 -3.474) 6.857 1.479 ( -2.603 -0.599 7.542) 8.001 1.511 ( -4.999 -1.919 -1.002) 5.448 1.559 ( -7.833 -1.594 13.562) 15.743 1.669 ( 0.598 -0.737 5.060) 5.149 1.728 ( -0.561 -0.290 -3.096) 3.160 1.919 ( -1.939 -1.006 -14.663) 14.825 1.973 ( -0.216 -1.796 1.176) 2.158 2.000 ( 1.535 -1.464 -1.200) 2.437 2.136 ( -4.263 -0.783 -0.524) 4.366 2.142 ( -4.502 -0.297 -1.110) 4.647 2.719 ( 1.861 0.887 3.275) 3.870 2.807 ( 1.354 1.694 -6.909) 7.241 3.379 ( -7.259 0.456 0.347) 7.282 3.397 ( -7.851 0.570 -2.173) 8.166 3.458 ( -2.797 0.141 0.854) 2.928 3.477 ( -3.441 0.240 -1.230) 3.662 3.943 ( 0.248 -0.236 2.632) 2.655 3.998 ( 1.168 -0.407 -3.512) 3.724 4.372 ( 4.457 -1.036 4.481) 6.404 4.438 ( 6.068 -0.659 -2.459) 6.580 4.772 ( 5.511 -3.506 5.203) 8.351 4.830 ( 3.787 -0.915 -1.300) 4.107 4.971 ( 0.511 0.850 1.403) 1.718 4.987 ( 0.086 0.893 -0.204) 0.920 5.153 ( -7.233 -0.921 3.615) 8.138 5.235 ( -9.763 -3.386 -5.197) 11.567 5.551 ( 1.874 0.553 7.244) 7.503 5.711 ( 2.190 1.361 -9.931) 10.261 6.371 ( 1.627 -0.249 2.825) 3.270 6.404 ( 3.073 -0.961 -0.393) 3.243 ======================= Grid point 326 (104/129) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 0.000 6.641 11.258) 13.070 0.676 ( 0.000 2.858 -10.758) 11.131 0.700 ( 0.000 3.343 16.102) 16.445 0.965 ( 0.000 2.168 -12.627) 12.812 1.066 ( 0.000 2.300 11.624) 11.850 1.207 ( 0.000 0.108 -5.469) 5.470 1.456 ( -0.000 -1.065 0.588) 1.216 1.465 ( -0.000 -1.380 -0.343) 1.422 1.476 ( 0.000 0.217 20.162) 20.163 1.689 ( -0.000 -1.382 4.797) 4.992 1.728 ( 0.000 0.075 -4.457) 4.458 1.901 ( 0.000 0.186 -16.595) 16.596 1.975 ( -0.000 -0.370 2.439) 2.467 2.020 ( -0.000 -0.101 -2.300) 2.302 2.097 ( -0.000 -2.701 1.424) 3.053 2.128 ( -0.000 -1.886 -2.006) 2.754 2.738 ( 0.000 0.612 2.104) 2.191 2.815 ( 0.000 1.516 -6.679) 6.849 3.295 ( 0.000 0.154 0.175) 0.233 3.296 ( 0.000 0.167 0.106) 0.198 3.428 ( 0.000 0.017 0.580) 0.580 3.440 ( 0.000 0.026 -0.701) 0.702 3.944 ( -0.000 -0.129 2.904) 2.907 4.007 ( -0.000 -0.431 -4.107) 4.130 4.424 ( -0.000 -0.480 5.314) 5.335 4.507 ( -0.000 -0.921 -3.603) 3.719 4.901 ( -0.000 -3.490 3.656) 5.054 4.929 ( -0.000 -4.817 1.208) 4.966 4.985 ( 0.000 1.072 0.392) 1.142 5.003 ( 0.000 1.065 -1.780) 2.074 5.041 ( 0.000 0.041 0.405) 0.407 5.050 ( 0.000 0.048 -0.511) 0.513 5.568 ( 0.000 0.441 7.155) 7.168 5.726 ( 0.000 1.122 -9.849) 9.913 6.389 ( -0.000 -0.098 3.727) 3.728 6.444 ( -0.000 -0.968 -2.175) 2.381 ======================= Grid point 329 (105/129) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -0.469 0.000 2.182) 2.232 0.980 ( -1.822 0.000 -2.482) 3.079 1.344 ( 11.398 -0.000 5.075) 12.477 1.433 ( 10.595 -0.000 -4.019) 11.332 1.581 ( 1.872 -0.000 -0.510) 1.940 1.594 ( 2.901 -0.000 -1.994) 3.520 1.701 ( -2.230 0.000 0.554) 2.298 1.716 ( -1.734 0.000 -0.930) 1.968 1.751 ( 0.287 -0.000 -0.015) 0.287 1.753 ( 1.737 -0.000 -0.129) 1.742 1.811 ( 5.388 -0.000 6.841) 8.708 1.886 ( 1.883 -0.000 -0.843) 2.064 2.254 ( -0.334 0.000 1.275) 1.318 2.300 ( -0.834 0.000 -2.784) 2.906 2.515 ( 7.595 -0.000 10.826) 13.224 2.721 ( 11.187 -0.000 -9.163) 14.460 2.810 ( 7.004 -0.000 2.723) 7.514 2.862 ( 4.678 -0.000 -4.196) 6.284 3.495 ( -5.960 0.000 4.085) 7.225 3.581 ( -6.879 0.000 -5.231) 8.642 3.695 ( 1.511 -0.000 1.874) 2.407 3.734 ( 1.939 -0.000 -2.169) 2.909 3.775 ( 2.651 -0.000 1.017) 2.840 3.806 ( 2.760 -0.000 -2.215) 3.539 4.128 ( -0.792 0.000 5.222) 5.282 4.195 ( 0.084 -0.000 -1.515) 1.518 4.733 ( -1.245 0.000 5.069) 5.220 4.805 ( -0.782 0.000 -2.351) 2.477 5.019 ( 2.303 -0.000 0.077) 2.304 5.030 ( 3.934 -0.000 -0.985) 4.056 5.352 ( -3.146 0.000 5.259) 6.129 5.370 ( -0.120 0.000 5.077) 5.078 5.461 ( -4.682 0.000 -5.945) 7.567 5.484 ( -0.681 0.000 -6.757) 6.791 6.237 ( -1.932 0.000 3.157) 3.701 6.280 ( -1.168 0.000 -1.561) 1.950 ======================= Grid point 330 (106/129) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -0.289 -0.036 1.106) 1.144 0.947 ( -1.391 -0.102 -1.133) 1.797 1.468 ( -0.335 2.653 4.996) 5.666 1.515 ( -2.875 2.962 0.590) 4.170 1.552 ( -4.068 1.729 -0.579) 4.458 1.583 ( 0.483 0.072 -3.153) 3.191 1.685 ( 1.856 -1.596 0.889) 2.605 1.708 ( 1.559 -3.004 -1.492) 3.699 1.831 ( 5.120 0.014 0.121) 5.121 1.833 ( 5.264 -0.512 -0.197) 5.292 1.909 ( 0.561 -0.226 4.184) 4.227 1.946 ( 7.343 -0.055 0.902) 7.399 2.224 ( -5.400 -0.372 -1.333) 5.575 2.252 ( 0.205 -0.392 -3.273) 3.303 2.626 ( 3.109 -0.164 10.104) 10.573 2.826 ( 1.270 0.043 -10.895) 10.969 2.939 ( 5.263 -0.119 3.780) 6.481 2.994 ( 6.311 -0.036 -2.084) 6.646 3.392 ( -3.766 -0.028 3.183) 4.931 3.460 ( -4.449 -0.066 -4.073) 6.032 3.711 ( 0.245 0.052 1.770) 1.788 3.753 ( 0.251 0.097 -2.771) 2.784 3.847 ( 3.596 0.094 1.656) 3.960 3.870 ( 2.853 0.080 -0.775) 2.957 4.119 ( -0.393 -0.004 6.200) 6.212 4.216 ( 1.759 0.011 -3.900) 4.278 4.684 ( -3.067 0.094 6.347) 7.049 4.778 ( -1.618 0.054 -3.394) 3.760 5.089 ( 4.426 0.010 1.733) 4.753 5.128 ( 5.752 0.009 -2.363) 6.218 5.283 ( -3.821 0.017 3.977) 5.515 5.358 ( -0.869 0.033 4.865) 4.942 5.365 ( -5.151 0.036 -4.599) 6.905 5.463 ( -1.190 0.161 -6.417) 6.528 6.206 ( -1.170 0.098 3.419) 3.615 6.259 ( -0.908 0.139 -2.343) 2.516 ======================= Grid point 331 (107/129) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.263 0.098 0.434) 0.516 0.934 ( 0.638 -0.198 -0.103) 0.676 1.369 ( -4.350 3.972 4.493) 7.408 1.430 ( -3.926 2.413 -2.311) 5.155 1.467 ( -5.587 -4.187 3.985) 8.039 1.551 ( -4.026 -2.928 -4.240) 6.540 1.736 ( 1.807 -0.217 1.081) 2.117 1.747 ( 0.968 -1.196 0.297) 1.567 1.907 ( -0.008 0.028 4.520) 4.520 1.932 ( 4.410 2.104 0.181) 4.889 1.941 ( 4.431 1.047 0.462) 4.577 2.037 ( -1.690 -0.347 -7.472) 7.669 2.157 ( 2.125 -0.159 6.296) 6.647 2.267 ( 1.107 -0.168 -5.177) 5.297 2.655 ( 0.285 -0.172 8.360) 8.366 2.830 ( -0.186 0.077 -9.934) 9.936 2.998 ( 0.419 -0.065 4.157) 4.179 3.060 ( 0.195 0.020 -2.451) 2.458 3.355 ( 0.048 0.001 2.845) 2.846 3.418 ( 0.181 -0.013 -3.881) 3.885 3.709 ( -0.252 -0.012 1.635) 1.654 3.749 ( -0.432 0.002 -2.685) 2.719 3.884 ( -0.473 0.009 1.196) 1.287 3.896 ( -0.371 0.001 -0.001) 0.371 4.114 ( 0.113 0.008 7.302) 7.303 4.240 ( -0.030 -0.006 -6.136) 6.136 4.644 ( -0.222 -0.002 7.808) 7.811 4.757 ( -0.149 0.002 -4.210) 4.213 5.164 ( 0.181 0.006 3.516) 3.521 5.214 ( -0.293 0.038 2.215) 2.235 5.240 ( 1.277 -0.064 -4.198) 4.389 5.260 ( -1.466 0.005 -2.513) 2.909 5.347 ( -0.069 0.013 4.445) 4.445 5.444 ( -0.593 0.009 -5.875) 5.905 6.190 ( -0.313 0.001 3.274) 3.289 6.244 ( -0.494 0.001 -2.525) 2.573 ======================= Grid point 332 (108/129) ======================= q-point: (-0.58 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.368 0.318 1.766) 1.831 0.962 ( 1.612 0.349 -1.197) 2.038 1.292 ( -3.184 -1.456 5.239) 6.301 1.340 ( -5.737 -2.539 0.419) 6.288 1.392 ( -2.754 -3.368 0.742) 4.413 1.471 ( -5.279 -3.175 -5.687) 8.384 1.751 ( -0.315 0.326 1.419) 1.490 1.761 ( -0.068 -0.430 0.728) 0.848 1.889 ( -1.995 0.599 1.946) 2.850 1.907 ( -5.915 0.457 0.004) 5.932 1.983 ( 0.680 2.826 1.034) 3.085 2.001 ( 0.650 1.971 -0.618) 2.166 2.259 ( 5.821 0.517 -0.268) 5.850 2.292 ( 1.496 0.684 -3.022) 3.441 2.643 ( -1.877 0.266 8.713) 8.917 2.824 ( -0.792 0.036 -10.243) 10.273 2.953 ( -4.938 0.245 3.246) 5.914 2.999 ( -6.174 0.133 -1.718) 6.410 3.396 ( 4.125 0.075 3.195) 5.218 3.468 ( 4.906 0.144 -4.556) 6.697 3.703 ( -0.451 -0.177 1.528) 1.603 3.739 ( -0.631 -0.292 -2.402) 2.500 3.835 ( -3.682 -0.239 1.572) 4.010 3.859 ( -3.002 -0.210 -1.027) 3.180 4.120 ( 0.265 0.040 6.033) 6.039 4.214 ( -1.914 -0.041 -3.824) 4.277 4.672 ( 2.105 -0.260 6.646) 6.976 4.771 ( 1.165 -0.142 -3.674) 3.857 5.087 ( -4.605 -0.022 1.834) 4.957 5.128 ( -6.044 -0.006 -2.326) 6.476 5.281 ( 3.873 -0.068 3.945) 5.529 5.344 ( 1.510 -0.345 1.881) 2.437 5.370 ( 4.387 0.194 -2.328) 4.971 5.441 ( 0.122 -0.502 -5.271) 5.296 6.194 ( 0.598 -0.227 2.856) 2.926 6.241 ( 0.046 -0.389 -2.175) 2.210 ======================= Grid point 333 (109/129) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -0.444 -0.164 2.671) 2.712 0.982 ( 0.433 0.072 -2.267) 2.309 1.181 ( -8.692 -3.247 5.826) 10.956 1.265 ( -5.832 -4.333 -2.427) 7.660 1.389 ( 0.202 -4.220 -0.515) 4.256 1.424 ( -0.347 -4.585 -3.975) 6.078 1.720 ( -2.478 1.095 0.934) 2.866 1.731 ( -4.209 0.634 -0.464) 4.282 1.773 ( -4.877 -0.701 6.669) 8.292 1.852 ( -2.380 0.354 -1.481) 2.825 1.945 ( -2.571 3.584 0.992) 4.520 1.968 ( -2.843 2.766 -1.360) 4.193 2.315 ( 1.119 1.352 0.731) 1.901 2.352 ( 3.396 0.855 -3.211) 4.751 2.550 ( -7.757 1.366 9.991) 12.722 2.731 ( -11.163 0.327 -7.488) 13.446 2.821 ( -7.112 0.333 2.306) 7.484 2.872 ( -3.840 0.316 -4.635) 6.027 3.509 ( 6.730 0.403 4.134) 7.908 3.599 ( 7.487 0.485 -5.532) 9.322 3.689 ( -1.270 -0.192 1.595) 2.048 3.723 ( -1.464 -0.362 -1.994) 2.500 3.772 ( -1.983 -0.079 1.070) 2.255 3.803 ( -2.050 -0.082 -2.225) 3.026 4.125 ( 0.572 -0.055 4.871) 4.905 4.189 ( -0.460 -0.214 -1.591) 1.670 4.698 ( -0.252 -1.005 6.343) 6.427 4.789 ( 0.240 -0.449 -3.137) 3.178 5.017 ( -2.301 -0.063 0.134) 2.306 5.026 ( -3.925 -0.135 -0.819) 4.012 5.347 ( 1.658 -0.156 4.238) 4.553 5.355 ( 0.921 -0.501 4.550) 4.670 5.439 ( 0.284 -0.631 -4.014) 4.073 5.478 ( 4.831 -0.139 -6.348) 7.978 6.217 ( 1.529 -0.492 2.309) 2.813 6.251 ( 0.699 -0.858 -1.351) 1.747 ======================= Grid point 334 (110/129) ======================= q-point: (-0.42 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -4.169 -2.439 3.552) 5.995 0.975 ( -1.959 -2.095 -3.624) 4.622 1.023 ( -6.831 1.497 6.438) 9.505 1.144 ( -6.247 -0.143 -6.102) 8.734 1.420 ( -1.537 -5.596 1.587) 6.016 1.469 ( 1.198 -5.792 -3.381) 6.813 1.619 ( -4.731 0.327 3.918) 6.151 1.644 ( -4.395 2.053 -0.330) 4.862 1.707 ( -3.165 -0.289 5.186) 6.083 1.798 ( -3.629 -0.734 -2.859) 4.678 1.858 ( -4.193 1.913 0.832) 4.684 1.876 ( -4.087 1.619 -0.980) 4.504 2.273 ( -11.785 3.380 6.635) 13.940 2.311 ( -2.364 1.869 2.525) 3.931 2.402 ( -4.451 -0.119 -3.081) 5.414 2.437 ( -15.757 0.176 -4.066) 16.274 2.710 ( -3.129 0.467 4.514) 5.512 2.824 ( -1.339 0.986 -8.278) 8.443 3.589 ( -0.171 0.669 3.243) 3.316 3.643 ( -3.036 0.281 -2.168) 3.741 3.652 ( -2.578 0.408 0.977) 2.787 3.681 ( -3.499 0.886 -2.050) 4.151 3.819 ( 5.673 0.161 -1.296) 5.821 3.823 ( 5.379 0.173 -1.772) 5.666 4.163 ( 3.804 -0.086 3.228) 4.990 4.204 ( 1.869 -0.669 -0.844) 2.157 4.679 ( -1.839 -2.106 7.402) 7.913 4.783 ( -0.923 -0.777 -3.525) 3.726 4.978 ( -1.001 -0.009 0.916) 1.357 4.996 ( -0.229 0.074 -0.915) 0.946 5.326 ( -2.621 -1.010 3.711) 4.654 5.384 ( -1.125 -1.482 -0.325) 1.889 5.454 ( 1.965 -0.404 3.059) 3.658 5.579 ( 5.190 0.633 -8.236) 9.755 6.260 ( 2.501 -0.709 1.801) 3.162 6.279 ( 1.603 -1.061 -0.195) 1.932 ======================= Grid point 335 (111/129) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -7.711 0.369 6.132) 9.859 0.880 ( -6.189 0.102 -1.655) 6.408 0.947 ( -2.976 1.790 2.302) 4.166 1.056 ( -1.589 2.838 -5.921) 6.755 1.354 ( -6.054 -0.076 5.344) 8.076 1.464 ( -5.678 1.903 -6.167) 8.596 1.540 ( -3.249 -2.583 -0.012) 4.150 1.550 ( -4.475 -0.453 -0.847) 4.577 1.654 ( -3.303 -1.963 10.678) 11.348 1.696 ( -5.982 -2.064 3.563) 7.262 1.771 ( -4.019 0.071 0.859) 4.110 1.851 ( 1.023 -2.324 -2.280) 3.413 2.023 ( -7.848 1.616 2.393) 8.362 2.119 ( -13.075 0.550 -6.511) 14.617 2.238 ( -5.266 0.791 2.197) 5.760 2.289 ( -7.813 0.354 -3.020) 8.384 2.697 ( 1.423 0.775 4.736) 5.005 2.811 ( 0.738 1.591 -7.961) 8.151 3.532 ( -3.936 0.416 1.517) 4.238 3.545 ( -6.847 0.636 -0.132) 6.878 3.560 ( -6.461 1.180 -1.096) 6.659 3.576 ( -5.329 1.049 -2.218) 5.867 3.914 ( 2.700 -0.242 0.960) 2.876 3.936 ( 4.983 0.047 -1.688) 5.262 4.256 ( 4.229 -1.376 2.602) 5.152 4.294 ( 7.328 0.046 -1.258) 7.436 4.672 ( 0.214 -2.925 8.033) 8.552 4.778 ( 0.352 -0.919 -3.502) 3.638 4.973 ( 0.376 0.488 1.577) 1.693 4.996 ( 0.288 0.575 -0.761) 0.997 5.256 ( -5.123 -1.407 3.706) 6.478 5.326 ( -5.667 -3.333 -3.561) 7.477 5.510 ( 3.088 0.427 7.187) 7.834 5.669 ( 4.189 1.175 -9.778) 10.703 6.321 ( 2.924 -0.738 1.272) 3.273 6.325 ( 2.736 -0.808 1.042) 3.037 ======================= Grid point 336 (112/129) ======================= q-point: (-0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -4.133 6.351 7.327) 10.541 0.769 ( -3.862 2.395 -3.327) 5.632 0.847 ( -4.665 5.770 7.134) 10.293 1.030 ( -0.477 3.135 -9.158) 9.691 1.208 ( -6.922 3.311 5.227) 9.284 1.289 ( -7.491 3.348 -2.890) 8.699 1.468 ( -3.330 -1.655 2.741) 4.620 1.484 ( -4.610 -2.960 -0.987) 5.567 1.540 ( -6.474 -1.769 16.979) 18.257 1.659 ( -0.035 -1.124 4.458) 4.598 1.724 ( -0.532 -0.251 -2.448) 2.517 1.900 ( 0.853 -2.584 -9.447) 9.831 1.958 ( -2.077 -0.965 -2.663) 3.513 1.981 ( 1.143 -2.113 -1.895) 3.060 2.126 ( -5.585 -1.060 -0.400) 5.699 2.137 ( -6.135 -0.554 -1.464) 6.332 2.730 ( 1.960 1.130 4.008) 4.602 2.828 ( 1.592 2.079 -7.019) 7.491 3.384 ( -7.493 0.569 0.482) 7.530 3.404 ( -8.168 0.630 -2.063) 8.448 3.460 ( -2.931 0.211 0.918) 3.079 3.480 ( -3.680 0.375 -1.336) 3.933 3.941 ( 0.362 -0.165 2.473) 2.505 3.993 ( 0.949 -0.521 -3.447) 3.613 4.356 ( 4.429 -1.970 5.807) 7.564 4.433 ( 5.596 -0.374 -2.140) 6.003 4.731 ( 3.993 -4.225 7.242) 9.287 4.818 ( 3.224 -1.397 -2.212) 4.153 4.981 ( 0.842 1.064 1.350) 1.914 4.998 ( 0.353 1.150 -0.298) 1.239 5.142 ( -6.862 -1.140 2.797) 7.497 5.197 ( -9.009 -3.432 -3.004) 10.098 5.558 ( 1.951 0.700 7.630) 7.907 5.726 ( 2.252 1.465 -10.548) 10.884 6.369 ( 1.839 -0.170 2.296) 2.946 6.393 ( 2.956 -0.967 0.041) 3.110 ======================= Grid point 337 (113/129) ======================= q-point: (-0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.000 9.649 7.868) 12.450 0.716 ( 0.000 4.377 -8.756) 9.789 0.749 ( 0.000 5.864 14.864) 15.979 0.998 ( 0.000 3.998 -11.924) 12.577 1.101 ( 0.000 4.395 9.659) 10.612 1.210 ( 0.000 0.513 -3.452) 3.489 1.440 ( -0.000 -2.134 0.211) 2.144 1.443 ( -0.000 -2.661 -0.191) 2.668 1.479 ( 0.000 0.264 19.573) 19.575 1.672 ( -0.000 -1.832 4.746) 5.087 1.728 ( -0.000 -0.212 -4.343) 4.348 1.902 ( -0.000 -0.074 -16.199) 16.200 1.970 ( -0.000 -0.630 2.695) 2.768 2.018 ( -0.000 -0.180 -2.467) 2.474 2.059 ( -0.000 -4.232 1.516) 4.495 2.099 ( -0.000 -3.628 -2.824) 4.597 2.747 ( 0.000 1.065 3.003) 3.186 2.836 ( 0.000 2.272 -6.852) 7.218 3.298 ( 0.000 0.271 0.181) 0.325 3.299 ( 0.000 0.292 0.093) 0.306 3.428 ( 0.000 0.027 0.586) 0.587 3.441 ( 0.000 0.042 -0.709) 0.711 3.943 ( -0.000 -0.075 2.730) 2.731 4.001 ( -0.000 -0.663 -3.803) 3.861 4.415 ( -0.000 -1.420 6.021) 6.186 4.496 ( -0.000 -1.115 -2.387) 2.634 4.837 ( -0.000 -7.450 6.424) 9.837 4.891 ( -0.000 -3.009 0.383) 3.034 4.999 ( 0.000 1.411 0.441) 1.478 5.010 ( 0.000 0.542 -0.771) 0.943 5.042 ( 0.000 0.072 0.403) 0.409 5.051 ( 0.000 0.083 -0.523) 0.530 5.574 ( 0.000 0.721 7.492) 7.527 5.741 ( 0.000 1.531 -10.562) 10.672 6.389 ( -0.000 -0.019 3.147) 3.147 6.432 ( -0.000 -1.199 -1.331) 1.792 ======================= Grid point 342 (114/129) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -0.122 0.000 0.312) 0.335 0.932 ( 1.142 -0.000 0.008) 1.142 1.414 ( -4.932 0.000 6.489) 8.151 1.417 ( -5.507 0.000 1.783) 5.788 1.451 ( -5.821 0.000 -1.333) 5.972 1.531 ( -4.096 0.000 -5.211) 6.628 1.735 ( 2.088 -0.000 0.843) 2.252 1.740 ( 1.364 -0.000 0.759) 1.561 1.907 ( -0.016 0.000 5.148) 5.148 1.945 ( 4.834 -0.000 0.620) 4.874 1.947 ( 5.056 -0.000 -0.533) 5.084 2.034 ( -2.208 0.000 -7.514) 7.832 2.157 ( 2.498 -0.000 6.245) 6.726 2.266 ( 1.291 -0.000 -5.200) 5.358 2.654 ( 0.325 -0.000 8.425) 8.432 2.830 ( -0.215 0.000 -10.065) 10.067 2.998 ( 0.485 -0.000 4.250) 4.277 3.060 ( 0.224 -0.000 -2.453) 2.463 3.355 ( 0.055 -0.000 2.844) 2.845 3.418 ( 0.209 -0.000 -3.874) 3.879 3.709 ( -0.291 0.000 1.636) 1.661 3.749 ( -0.498 0.000 -2.693) 2.738 3.884 ( -0.546 0.000 1.196) 1.315 3.896 ( -0.428 0.000 0.004) 0.428 4.114 ( 0.131 -0.000 7.295) 7.297 4.240 ( -0.035 0.000 -6.134) 6.134 4.644 ( -0.256 0.000 7.810) 7.814 4.757 ( -0.172 0.000 -4.211) 4.215 5.164 ( 0.209 -0.000 3.517) 3.523 5.215 ( -0.350 0.000 2.269) 2.296 5.240 ( 1.464 -0.000 -4.233) 4.479 5.260 ( -1.671 0.000 -2.528) 3.030 5.347 ( -0.081 0.000 4.439) 4.440 5.444 ( -0.685 0.000 -5.875) 5.915 6.190 ( -0.361 0.000 3.274) 3.294 6.244 ( -0.570 0.000 -2.525) 2.589 ======================= Grid point 343 (115/129) ======================= q-point: (-0.67 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.468 0.129 1.850) 1.912 0.964 ( 1.753 0.129 -1.163) 2.108 1.287 ( -6.501 0.163 6.063) 8.891 1.317 ( -5.777 -1.534 1.459) 6.153 1.369 ( -2.409 -1.054 -0.560) 2.689 1.446 ( -4.547 -1.308 -6.346) 7.915 1.754 ( -0.033 0.290 1.380) 1.410 1.757 ( 0.059 -0.347 1.003) 1.063 1.893 ( -1.396 0.177 2.066) 2.500 1.909 ( -7.311 0.077 0.154) 7.313 2.006 ( 1.173 1.404 0.272) 1.849 2.014 ( 1.075 0.408 -0.404) 1.219 2.263 ( 5.852 0.172 -0.130) 5.856 2.297 ( 1.742 0.236 -3.025) 3.499 2.645 ( -1.568 0.086 8.560) 8.703 2.824 ( -0.739 0.020 -10.305) 10.332 2.955 ( -4.841 0.087 3.285) 5.851 3.000 ( -6.165 0.050 -1.654) 6.383 3.397 ( 4.178 0.028 3.193) 5.259 3.469 ( 4.977 0.050 -4.618) 6.790 3.702 ( -0.484 -0.067 1.489) 1.567 3.737 ( -0.701 -0.108 -2.353) 2.458 3.833 ( -3.699 -0.086 1.560) 4.016 3.858 ( -3.023 -0.076 -1.061) 3.205 4.120 ( 0.249 0.016 5.996) 6.001 4.214 ( -1.939 -0.016 -3.806) 4.271 4.670 ( 1.959 -0.095 6.695) 6.977 4.770 ( 1.096 -0.052 -3.718) 3.877 5.087 ( -4.634 -0.008 1.851) 4.990 5.128 ( -6.094 -0.001 -2.326) 6.523 5.280 ( 3.886 -0.026 3.939) 5.534 5.342 ( 1.512 -0.128 1.703) 2.281 5.372 ( 4.420 0.078 -2.291) 4.979 5.437 ( -0.112 -0.190 -5.057) 5.062 6.192 ( 0.526 -0.080 2.756) 2.807 6.238 ( -0.094 -0.143 -2.138) 2.145 ======================= Grid point 344 (116/129) ======================= q-point: (-0.58 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -1.271 -0.206 2.926) 3.196 0.983 ( -0.133 0.092 -2.343) 2.349 1.157 ( -6.713 -1.484 5.941) 9.086 1.227 ( -4.891 -2.621 -1.198) 5.677 1.355 ( -0.105 -2.134 -1.236) 2.468 1.385 ( -1.883 -2.626 -4.449) 5.499 1.729 ( -2.123 0.749 0.443) 2.294 1.735 ( -3.567 0.214 -0.331) 3.589 1.767 ( -5.507 -0.508 7.259) 9.126 1.854 ( -2.590 0.071 -1.873) 3.197 1.977 ( -2.979 2.279 0.530) 3.788 1.989 ( -3.099 1.230 -0.773) 3.423 2.326 ( 1.147 0.685 0.487) 1.422 2.359 ( 3.578 0.341 -3.035) 4.704 2.563 ( -7.445 0.870 9.487) 12.091 2.734 ( -11.127 0.204 -6.990) 13.142 2.824 ( -7.191 0.195 2.214) 7.527 2.875 ( -3.576 0.197 -4.763) 5.959 3.513 ( 6.910 0.230 4.142) 8.059 3.603 ( 7.630 0.275 -5.598) 9.468 3.687 ( -1.206 -0.116 1.520) 1.944 3.720 ( -1.338 -0.216 -1.951) 2.375 3.772 ( -1.818 -0.047 1.080) 2.115 3.802 ( -1.883 -0.047 -2.230) 2.919 4.125 ( 0.528 -0.023 4.754) 4.783 4.187 ( -0.587 -0.135 -1.582) 1.693 4.689 ( -0.623 -0.579 6.673) 6.727 4.786 ( 0.114 -0.256 -3.325) 3.337 5.016 ( -2.260 -0.030 0.126) 2.264 5.025 ( -3.970 -0.085 -0.763) 4.043 5.346 ( 0.374 -0.093 3.703) 3.723 5.351 ( 1.970 -0.319 4.626) 5.038 5.433 ( -0.254 -0.356 -3.481) 3.508 5.477 ( 5.371 -0.070 -6.226) 8.223 6.213 ( 1.479 -0.253 2.033) 2.527 6.244 ( 0.568 -0.511 -1.237) 1.453 ======================= Grid point 345 (117/129) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -4.543 -1.868 3.614) 6.098 0.954 ( -3.226 -1.730 -3.877) 5.332 1.048 ( -3.673 2.972 5.839) 7.511 1.145 ( -3.736 0.037 -4.121) 5.562 1.362 ( -1.266 -4.772 0.776) 4.998 1.409 ( 1.158 -5.260 -3.644) 6.503 1.622 ( -5.234 0.219 6.410) 8.278 1.665 ( -3.733 1.835 -0.435) 4.182 1.704 ( -3.053 -0.454 3.506) 4.671 1.791 ( -4.251 -0.561 -3.646) 5.628 1.879 ( -5.152 1.833 0.744) 5.519 1.892 ( -5.257 1.225 -0.651) 5.437 2.303 ( -10.816 2.390 5.623) 12.423 2.326 ( -3.663 0.928 3.064) 4.865 2.401 ( -3.868 -0.085 -3.241) 5.047 2.438 ( -16.220 0.141 -3.725) 16.643 2.714 ( -3.022 0.358 4.724) 5.619 2.833 ( -1.087 0.730 -8.459) 8.560 3.595 ( -0.360 0.444 3.147) 3.198 3.646 ( -3.053 0.177 -2.087) 3.702 3.656 ( -1.981 0.318 1.315) 2.400 3.689 ( -3.020 0.679 -2.235) 3.818 3.821 ( 5.957 0.120 -1.243) 6.087 3.825 ( 5.086 0.120 -1.739) 5.376 4.163 ( 3.950 0.051 2.704) 4.787 4.197 ( 1.503 -0.646 -0.703) 1.781 4.659 ( -2.275 -1.556 8.421) 8.861 4.776 ( -1.004 -0.558 -3.938) 4.102 4.978 ( -0.854 -0.007 0.994) 1.311 4.997 ( -0.071 0.060 -0.914) 0.919 5.317 ( -2.835 -0.752 3.293) 4.410 5.369 ( -2.151 -1.193 -1.090) 2.690 5.451 ( 2.614 -0.110 4.703) 5.381 5.584 ( 5.427 0.395 -8.332) 9.951 6.254 ( 2.496 -0.404 1.425) 2.902 6.269 ( 1.658 -0.825 -0.053) 1.853 ======================= Grid point 346 (118/129) ======================= q-point: (-0.42 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -4.552 0.882 4.227) 6.274 0.875 ( -5.018 -0.953 -4.521) 6.821 0.982 ( -1.568 4.596 6.022) 7.736 1.089 ( -0.997 3.198 -4.441) 5.563 1.335 ( -4.128 -3.496 4.921) 7.313 1.443 ( -1.813 -4.802 -6.536) 8.311 1.533 ( -4.655 0.043 3.362) 5.743 1.561 ( -5.396 2.808 -0.777) 6.132 1.636 ( -5.347 -1.200 7.462) 9.258 1.680 ( -5.128 -1.356 1.462) 5.502 1.775 ( -4.213 0.626 1.337) 4.464 1.833 ( -0.255 -1.109 -2.076) 2.368 2.036 ( -10.191 1.001 2.714) 10.594 2.124 ( -13.335 0.341 -5.314) 14.359 2.245 ( -5.743 0.462 1.820) 6.042 2.291 ( -7.928 0.141 -2.947) 8.460 2.705 ( 1.602 0.642 5.258) 5.534 2.827 ( 0.985 1.310 -8.160) 8.323 3.536 ( -4.023 0.339 1.486) 4.302 3.551 ( -6.615 0.492 -0.171) 6.635 3.572 ( -6.507 0.997 -0.838) 6.636 3.587 ( -5.690 0.919 -2.135) 6.147 3.911 ( 2.647 -0.160 1.030) 2.845 3.936 ( 4.709 0.022 -1.902) 5.079 4.242 ( 3.493 -1.276 3.563) 5.150 4.295 ( 7.597 0.019 -1.969) 7.848 4.642 ( -0.075 -2.502 9.699) 10.016 4.769 ( 0.280 -0.789 -4.081) 4.166 4.979 ( 0.709 0.450 1.629) 1.833 5.002 ( 0.608 0.514 -0.795) 1.125 5.242 ( -5.207 -1.221 3.002) 6.133 5.294 ( -6.062 -2.564 -2.465) 7.029 5.514 ( 3.280 0.365 7.670) 8.349 5.680 ( 4.338 0.869 -10.056) 10.986 6.314 ( 3.192 -0.498 1.099) 3.413 6.317 ( 2.818 -0.638 0.965) 3.047 ======================= Grid point 347 (119/129) ======================= q-point: (-0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -1.389 6.247 4.301) 7.710 0.793 ( -2.411 2.049 -3.421) 4.660 0.910 ( -3.199 6.128 8.199) 10.724 1.069 ( 0.559 4.404 -6.993) 8.283 1.238 ( -5.224 1.949 4.954) 7.458 1.327 ( -8.251 3.199 -3.323) 9.453 1.444 ( -4.550 -2.617 0.182) 5.252 1.454 ( -4.720 -2.351 -0.588) 5.306 1.524 ( -4.875 -1.352 17.290) 18.014 1.644 ( -0.662 -1.763 2.750) 3.333 1.724 ( -0.587 0.268 -0.359) 0.738 1.870 ( 2.140 -2.840 -4.696) 5.891 1.950 ( -2.341 -0.972 -4.297) 4.989 1.958 ( -0.554 -1.829 -3.978) 4.413 2.115 ( -6.869 -1.076 -0.328) 6.960 2.131 ( -7.378 -0.660 -1.755) 7.612 2.741 ( 2.060 1.026 4.788) 5.312 2.849 ( 1.760 1.863 -7.117) 7.564 3.390 ( -7.717 0.499 0.586) 7.755 3.410 ( -8.466 0.451 -1.880) 8.684 3.462 ( -3.117 0.234 1.000) 3.282 3.484 ( -3.989 0.407 -1.460) 4.268 3.940 ( 0.546 0.025 2.295) 2.359 3.988 ( 0.782 -0.444 -3.173) 3.297 4.333 ( 4.140 -2.343 7.924) 9.242 4.431 ( 5.364 0.028 -2.712) 6.010 4.688 ( 2.844 -3.764 9.055) 10.211 4.803 ( 2.595 -1.392 -3.113) 4.285 4.993 ( 1.045 1.032 1.351) 1.995 5.011 ( 0.593 1.113 -0.384) 1.318 5.130 ( -6.377 -1.055 2.023) 6.773 5.165 ( -7.971 -2.589 -1.620) 8.536 5.565 ( 2.031 0.644 8.038) 8.315 5.741 ( 2.291 1.193 -10.884) 11.186 6.368 ( 2.101 -0.003 1.754) 2.737 6.384 ( 2.943 -0.679 0.411) 3.049 ======================= Grid point 348 (120/129) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 0.000 9.261 4.517) 10.303 0.762 ( 0.000 4.114 -6.335) 7.553 0.819 ( 0.000 7.125 13.437) 15.209 1.047 ( 0.000 5.242 -10.992) 12.178 1.156 ( 0.000 5.695 7.073) 9.081 1.221 ( 0.000 1.756 -0.141) 1.762 1.409 ( -0.000 -3.689 0.007) 3.689 1.412 ( -0.000 -3.154 -0.341) 3.172 1.480 ( -0.000 -0.034 18.230) 18.230 1.651 ( -0.000 -2.142 3.572) 4.165 1.725 ( -0.000 -0.079 -2.889) 2.890 1.898 ( -0.000 -0.763 -14.570) 14.590 1.963 ( -0.000 -0.713 3.040) 3.123 2.013 ( -0.000 -4.280 0.491) 4.308 2.016 ( -0.000 -0.213 -2.684) 2.692 2.054 ( -0.000 -4.683 -3.666) 5.947 2.759 ( 0.000 1.150 4.072) 4.231 2.860 ( 0.000 2.181 -6.925) 7.260 3.301 ( 0.000 0.318 0.189) 0.370 3.302 ( 0.000 0.342 0.076) 0.350 3.429 ( 0.000 0.026 0.594) 0.595 3.441 ( 0.000 0.044 -0.720) 0.721 3.943 ( 0.000 0.147 2.526) 2.530 3.994 ( -0.000 -0.592 -3.197) 3.251 4.394 ( -0.000 -2.507 8.026) 8.409 4.487 ( -0.000 -0.426 -1.946) 1.992 4.762 ( -0.000 -6.388 8.859) 10.922 4.860 ( -0.000 -2.852 -1.297) 3.133 5.013 ( 0.000 1.012 0.268) 1.047 5.016 ( 0.000 0.781 -0.024) 0.782 5.043 ( 0.000 0.083 0.400) 0.408 5.051 ( 0.000 0.095 -0.540) 0.548 5.582 ( 0.000 0.768 7.905) 7.943 5.756 ( 0.000 1.383 -10.995) 11.082 6.389 ( 0.000 0.175 2.460) 2.466 6.421 ( -0.000 -0.879 -0.580) 1.053 ======================= Grid point 355 (121/129) ======================= q-point: (-0.67 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -1.677 0.000 3.054) 3.484 0.984 ( -0.367 0.000 -2.423) 2.451 1.149 ( -5.680 0.000 6.003) 8.264 1.213 ( -4.764 0.000 -0.694) 4.814 1.344 ( 0.113 -0.000 -1.484) 1.488 1.371 ( -2.751 0.000 -4.694) 5.440 1.735 ( -2.633 0.000 -0.109) 2.635 1.735 ( -2.446 0.000 -0.162) 2.451 1.764 ( -5.995 0.000 7.711) 9.767 1.854 ( -2.659 0.000 -1.997) 3.325 1.991 ( -3.216 0.000 0.046) 3.216 1.994 ( -3.076 0.000 -0.241) 3.085 2.329 ( 1.148 -0.000 0.387) 1.211 2.360 ( 3.611 -0.000 -2.956) 4.666 2.567 ( -7.305 0.000 9.285) 11.814 2.735 ( -11.110 0.000 -6.801) 13.026 2.825 ( -7.226 0.000 2.182) 7.548 2.876 ( -3.474 0.000 -4.812) 5.935 3.514 ( 6.975 -0.000 4.144) 8.113 3.604 ( 7.682 -0.000 -5.621) 9.519 3.687 ( -1.182 0.000 1.492) 1.904 3.718 ( -1.290 0.000 -1.936) 2.326 3.771 ( -1.758 0.000 1.083) 2.065 3.802 ( -1.823 0.000 -2.232) 2.882 4.125 ( 0.514 -0.000 4.707) 4.735 4.186 ( -0.638 0.000 -1.575) 1.700 4.686 ( -0.760 0.000 6.796) 6.838 4.784 ( 0.068 -0.000 -3.394) 3.394 5.016 ( -2.237 0.000 0.119) 2.240 5.024 ( -3.995 0.000 -0.739) 4.063 5.346 ( -0.666 0.000 3.345) 3.410 5.349 ( 2.913 -0.000 4.807) 5.621 5.432 ( -0.414 0.000 -3.278) 3.304 5.477 ( 5.542 -0.000 -6.181) 8.302 6.211 ( 1.468 -0.000 1.922) 2.418 6.241 ( 0.515 -0.000 -1.185) 1.292 ======================= Grid point 357 (122/129) ======================= q-point: (-0.58 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -4.295 -0.653 3.525) 5.594 0.941 ( -3.740 -0.652 -3.988) 5.506 1.078 ( -1.495 2.232 5.044) 5.715 1.141 ( -2.658 -0.775 -1.303) 3.060 1.329 ( -2.038 -1.417 -0.745) 2.592 1.366 ( 0.965 -2.544 -3.849) 4.714 1.624 ( -5.392 0.062 7.630) 9.343 1.681 ( -3.157 1.050 -0.893) 3.445 1.698 ( -3.102 -0.576 3.125) 4.441 1.786 ( -4.554 -0.214 -4.069) 6.110 1.894 ( -5.486 0.883 0.424) 5.572 1.900 ( -5.834 0.318 -0.279) 5.849 2.323 ( -9.488 1.283 4.860) 10.737 2.330 ( -5.400 -0.165 3.580) 6.481 2.401 ( -3.189 -0.024 -3.361) 4.634 2.439 ( -16.676 0.053 -3.508) 17.041 2.717 ( -2.961 0.135 4.850) 5.684 2.839 ( -0.956 0.269 -8.554) 8.612 3.598 ( -0.485 0.153 3.080) 3.122 3.647 ( -3.035 0.059 -2.059) 3.668 3.658 ( -1.614 0.122 1.515) 2.216 3.694 ( -2.772 0.253 -2.325) 3.626 3.822 ( 6.098 0.046 -1.228) 6.221 3.826 ( 4.933 0.041 -1.706) 5.220 4.164 ( 4.205 0.069 2.285) 4.786 4.191 ( 1.106 -0.298 -0.515) 1.255 4.648 ( -2.529 -0.572 9.036) 9.400 4.772 ( -1.049 -0.202 -4.175) 4.310 4.978 ( -0.768 -0.002 1.040) 1.292 4.997 ( 0.027 0.023 -0.916) 0.917 5.311 ( -2.960 -0.278 3.073) 4.276 5.360 ( -2.617 -0.446 -1.284) 2.949 5.451 ( 2.885 -0.018 5.349) 6.078 5.587 ( 5.558 0.134 -8.369) 10.047 6.251 ( 2.530 -0.104 1.126) 2.771 6.262 ( 1.669 -0.332 0.114) 1.706 ======================= Grid point 358 (123/129) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -2.464 0.692 2.588) 3.640 0.865 ( -3.902 -0.767 -4.341) 5.887 1.039 ( -0.739 5.926 5.940) 8.423 1.115 ( 0.024 0.953 -1.221) 1.549 1.293 ( -3.171 -3.584 2.966) 5.631 1.389 ( -1.286 -4.633 -6.668) 8.221 1.534 ( -4.351 0.046 9.025) 10.019 1.595 ( -4.840 3.081 -0.680) 5.778 1.628 ( -5.977 -0.593 2.179) 6.389 1.665 ( -5.744 -1.454 -0.594) 5.955 1.782 ( -4.531 0.552 1.788) 4.902 1.826 ( -1.036 -0.206 -1.672) 1.978 2.044 ( -11.788 0.451 3.021) 12.177 2.126 ( -13.440 0.170 -4.546) 14.189 2.248 ( -6.153 0.193 1.558) 6.350 2.292 ( -8.029 0.005 -2.920) 8.544 2.710 ( 1.708 0.358 5.631) 5.895 2.837 ( 1.140 0.731 -8.297) 8.407 3.539 ( -4.064 0.193 1.499) 4.336 3.555 ( -6.519 0.279 -0.199) 6.528 3.580 ( -6.493 0.567 -0.722) 6.558 3.594 ( -6.019 0.501 -2.084) 6.389 3.910 ( 2.657 -0.069 1.063) 2.862 3.936 ( 4.518 0.009 -2.034) 4.955 4.230 ( 2.934 -0.783 4.343) 5.299 4.295 ( 7.825 0.005 -2.547) 8.229 4.621 ( -0.231 -1.420 10.927) 11.021 4.762 ( 0.227 -0.449 -4.495) 4.523 4.982 ( 0.968 0.274 1.668) 1.948 5.007 ( 0.841 0.307 -0.819) 1.213 5.232 ( -5.256 -0.710 2.544) 5.883 5.273 ( -6.240 -1.372 -1.848) 6.651 5.517 ( 3.392 0.205 7.967) 8.662 5.687 ( 4.434 0.458 -10.194) 11.126 6.310 ( 3.296 -0.209 0.970) 3.443 6.312 ( 3.016 -0.371 0.928) 3.178 ======================= Grid point 359 (124/129) ======================= q-point: (-0.42 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.342 4.280 1.265) 4.476 0.810 ( -1.315 1.003 -2.917) 3.354 0.976 ( -2.579 6.416 9.357) 11.635 1.121 ( 1.608 5.105 -4.451) 6.961 1.242 ( -2.620 -1.116 4.007) 4.916 1.335 ( -5.826 -2.236 -5.241) 8.149 1.426 ( -5.959 -0.401 3.990) 7.183 1.447 ( -7.120 1.238 0.087) 7.227 1.512 ( -4.028 -0.901 12.142) 12.825 1.622 ( -1.159 -2.386 0.748) 2.756 1.730 ( -0.642 0.681 2.352) 2.531 1.845 ( 2.102 -1.624 -2.540) 3.676 1.927 ( -0.711 -2.467 -1.944) 3.220 1.952 ( -3.734 -0.097 -7.314) 8.213 2.104 ( -7.792 -0.803 -0.342) 7.841 2.124 ( -8.066 -0.531 -1.972) 8.321 2.750 ( 2.124 0.685 5.421) 5.863 2.866 ( 1.826 1.252 -7.189) 7.522 3.394 ( -7.871 0.319 0.631) 7.902 3.413 ( -8.681 0.221 -1.687) 8.846 3.464 ( -3.306 0.184 1.073) 3.481 3.488 ( -4.254 0.297 -1.544) 4.535 3.941 ( 0.752 0.149 2.141) 2.274 3.984 ( 0.716 -0.258 -2.768) 2.870 4.310 ( 3.802 -1.816 9.821) 10.687 4.432 ( 5.368 0.183 -3.861) 6.614 4.654 ( 2.161 -2.542 10.509) 11.026 4.790 ( 2.120 -0.975 -3.806) 4.464 5.002 ( 1.148 0.775 1.381) 1.956 5.021 ( 0.771 0.820 -0.439) 1.208 5.120 ( -5.939 -0.745 1.463) 6.162 5.143 ( -7.097 -1.589 -0.954) 7.335 5.571 ( 2.093 0.439 8.364) 8.633 5.751 ( 2.307 0.758 -11.016) 11.281 6.369 ( 2.337 0.092 1.335) 2.693 6.379 ( 2.999 -0.363 0.686) 3.098 ======================= Grid point 360 (125/129) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.000 6.762 1.652) 6.961 0.798 ( 0.000 2.685 -4.109) 4.908 0.894 ( 0.000 6.900 12.309) 14.111 1.105 ( 0.000 5.719 -10.143) 11.644 1.214 ( 0.000 4.995 4.956) 7.037 1.251 ( 0.000 4.014 3.924) 5.614 1.367 ( -0.000 -4.146 0.101) 4.147 1.374 ( -0.000 -3.929 -0.846) 4.020 1.477 ( -0.000 -0.567 15.477) 15.487 1.626 ( -0.000 -2.599 1.543) 3.023 1.727 ( 0.000 0.444 -0.025) 0.445 1.886 ( -0.000 -1.315 -10.782) 10.862 1.956 ( -0.000 -0.606 3.381) 3.435 1.972 ( -0.000 -3.366 -2.213) 4.028 2.005 ( -0.000 -4.410 -4.739) 6.474 2.014 ( -0.000 -0.186 -2.890) 2.896 2.770 ( 0.000 0.889 5.005) 5.084 2.880 ( 0.000 1.573 -6.882) 7.059 3.304 ( 0.000 0.280 0.197) 0.342 3.305 ( 0.000 0.301 0.058) 0.307 3.429 ( 0.000 0.018 0.603) 0.603 3.442 ( 0.000 0.033 -0.730) 0.731 3.946 ( 0.000 0.341 2.346) 2.371 3.989 ( -0.000 -0.339 -2.412) 2.436 4.366 ( -0.000 -2.530 10.472) 10.773 4.486 ( 0.000 0.170 -2.903) 2.908 4.705 ( -0.000 -4.386 10.155) 11.061 4.833 ( -0.000 -2.157 -2.646) 3.414 5.019 ( 0.000 0.400 0.601) 0.722 5.027 ( 0.000 0.977 -0.106) 0.983 5.043 ( 0.000 0.072 0.397) 0.403 5.052 ( 0.000 0.082 -0.556) 0.562 5.590 ( 0.000 0.614 8.280) 8.302 5.769 ( 0.000 0.992 -11.141) 11.185 6.392 ( 0.000 0.292 1.879) 1.901 6.414 ( -0.000 -0.463 -0.047) 0.466 ======================= Grid point 369 (126/129) ======================= q-point: (-0.58 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -1.750 0.000 1.951) 2.621 0.860 ( -3.560 0.000 -4.050) 5.392 1.095 ( 1.983 -0.000 3.362) 3.903 1.097 ( -1.717 0.000 3.841) 4.207 1.273 ( -2.919 0.000 1.114) 3.125 1.361 ( -1.481 0.000 -7.202) 7.353 1.534 ( -4.201 0.000 11.422) 12.170 1.619 ( -4.452 0.000 -0.304) 4.462 1.620 ( -4.895 0.000 0.675) 4.942 1.655 ( -7.240 0.000 -2.353) 7.612 1.785 ( -4.691 0.000 1.947) 5.079 1.826 ( -1.251 0.000 -1.518) 1.967 2.046 ( -12.382 0.000 3.162) 12.779 2.127 ( -13.465 0.000 -4.276) 14.127 2.249 ( -6.312 0.000 1.459) 6.478 2.292 ( -8.067 0.000 -2.914) 8.577 2.712 ( 1.742 -0.000 5.766) 6.023 2.841 ( 1.192 -0.000 -8.345) 8.430 3.540 ( -4.075 0.000 1.510) 4.346 3.557 ( -6.496 0.000 -0.207) 6.500 3.584 ( -6.465 0.000 -0.695) 6.502 3.597 ( -6.170 0.000 -2.072) 6.509 3.910 ( 2.672 -0.000 1.072) 2.879 3.936 ( 4.450 -0.000 -2.077) 4.911 4.226 ( 2.728 -0.000 4.647) 5.388 4.295 ( 7.914 -0.000 -2.773) 8.386 4.614 ( -0.277 0.000 11.377) 11.380 4.760 ( 0.208 -0.000 -4.643) 4.648 4.984 ( 1.067 -0.000 1.683) 1.993 5.008 ( 0.927 -0.000 -0.828) 1.243 5.228 ( -5.272 0.000 2.388) 5.788 5.266 ( -6.289 0.000 -1.657) 6.504 5.518 ( 3.429 -0.000 8.068) 8.767 5.689 ( 4.466 -0.000 -10.236) 11.168 6.310 ( 3.257 -0.000 0.736) 3.339 6.310 ( 3.175 -0.000 1.105) 3.361 ======================= Grid point 371 (127/129) ======================= q-point: (-0.50 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 1.245 1.656 -0.636) 2.167 0.815 ( -0.862 0.033 -2.097) 2.267 1.036 ( -3.548 4.018 10.277) 11.591 1.161 ( 4.047 1.364 0.321) 4.283 1.232 ( -0.626 0.707 0.271) 0.983 1.295 ( -4.959 -4.116 -7.195) 9.659 1.431 ( -6.346 0.876 10.602) 12.387 1.460 ( -8.626 0.348 1.692) 8.797 1.511 ( -4.246 0.690 3.554) 5.580 1.598 ( -1.261 -1.689 -0.479) 2.161 1.736 ( -0.608 0.331 4.164) 4.221 1.836 ( 1.999 -0.238 -1.853) 2.736 1.906 ( -1.736 -1.269 -1.695) 2.739 1.951 ( -3.990 -0.008 -7.475) 8.473 2.099 ( -8.244 -0.297 -0.394) 8.258 2.120 ( -8.336 -0.202 -2.099) 8.598 2.755 ( 2.149 0.237 5.774) 6.165 2.875 ( 1.834 0.438 -7.229) 7.471 3.397 ( -7.944 0.107 0.637) 7.970 3.415 ( -8.796 0.060 -1.566) 8.934 3.466 ( -3.426 0.070 1.112) 3.602 3.490 ( -4.390 0.105 -1.576) 4.666 3.942 ( 0.891 0.085 2.044) 2.231 3.983 ( 0.709 -0.079 -2.462) 2.564 4.297 ( 3.612 -0.673 10.835) 11.441 4.434 ( 5.438 0.095 -4.809) 7.260 4.636 ( 1.835 -0.898 11.446) 11.627 4.783 ( 1.880 -0.344 -4.172) 4.589 5.008 ( 1.195 0.296 1.410) 1.872 5.027 ( 0.875 0.307 -0.460) 1.036 5.115 ( -5.688 -0.267 1.171) 5.814 5.132 ( -6.641 -0.550 -0.705) 6.701 5.574 ( 2.126 0.154 8.544) 8.806 5.756 ( 2.310 0.259 -11.054) 11.296 6.370 ( 2.474 0.055 1.100) 2.708 6.376 ( 3.052 -0.112 0.850) 3.171 ======================= Grid point 372 (128/129) ======================= q-point: (-0.42 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.000 3.283 -0.257) 3.294 0.818 ( 0.000 1.286 -2.646) 2.942 0.957 ( 0.000 4.678 11.791) 12.685 1.163 ( 0.000 4.898 -9.937) 11.079 1.260 ( 0.000 3.729 5.416) 6.575 1.294 ( 0.000 3.120 7.134) 7.787 1.326 ( -0.000 -3.323 0.005) 3.323 1.332 ( -0.000 -3.720 -0.870) 3.820 1.471 ( -0.000 -0.416 10.744) 10.752 1.599 ( -0.000 -2.450 0.008) 2.450 1.733 ( 0.000 0.568 2.909) 2.964 1.876 ( -0.000 -0.381 -7.221) 7.231 1.936 ( -0.000 -3.491 -2.913) 4.546 1.950 ( -0.000 -0.345 3.629) 3.645 1.971 ( -0.000 -1.735 -7.547) 7.743 2.013 ( -0.000 -0.108 -3.035) 3.037 2.778 ( 0.000 0.461 5.619) 5.638 2.893 ( 0.000 0.792 -6.808) 6.854 3.307 ( 0.000 0.164 0.203) 0.261 3.308 ( 0.000 0.176 0.046) 0.182 3.429 ( 0.000 0.008 0.609) 0.609 3.442 ( 0.000 0.017 -0.738) 0.738 3.949 ( 0.000 0.298 2.206) 2.226 3.987 ( -0.000 -0.123 -1.737) 1.742 4.344 ( -0.000 -1.496 12.032) 12.124 4.489 ( 0.000 0.278 -4.454) 4.463 4.670 ( -0.000 -2.282 11.277) 11.506 4.816 ( -0.000 -1.117 -3.450) 3.626 5.022 ( 0.000 0.218 0.881) 0.907 5.035 ( 0.000 0.521 -0.305) 0.604 5.044 ( 0.000 0.041 0.394) 0.396 5.053 ( 0.000 0.047 -0.568) 0.570 5.595 ( 0.000 0.334 8.535) 8.542 5.777 ( 0.000 0.510 -11.157) 11.169 6.395 ( 0.000 0.221 1.506) 1.522 6.411 ( -0.000 -0.174 0.282) 0.332 ======================= Grid point 384 (129/129) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 5.20e-05 5.20e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 0.000 -0.618) 0.618 0.826 ( 0.000 0.000 -2.448) 2.448 0.984 ( 0.000 0.000 11.752) 11.752 1.194 ( 0.000 0.000 -10.693) 10.693 1.284 ( 0.000 0.000 5.324) 5.324 1.304 ( -0.000 -0.000 0.278) 0.278 1.308 ( -0.000 -0.000 10.008) 10.008 1.311 ( -0.000 -0.000 -0.493) 0.493 1.470 ( 0.000 0.000 7.343) 7.343 1.583 ( 0.000 0.000 -0.439) 0.439 1.737 ( 0.000 0.000 4.218) 4.218 1.877 ( 0.000 0.000 -6.637) 6.637 1.913 ( 0.000 0.000 -2.145) 2.145 1.949 ( 0.000 0.000 3.719) 3.719 1.963 ( 0.000 0.000 -8.934) 8.934 2.012 ( 0.000 0.000 -3.087) 3.087 2.780 ( 0.000 0.000 5.832) 5.832 2.897 ( 0.000 0.000 -6.776) 6.776 3.307 ( 0.000 0.000 0.205) 0.205 3.309 ( 0.000 0.000 0.041) 0.041 3.429 ( 0.000 0.000 0.611) 0.611 3.442 ( 0.000 0.000 -0.740) 0.740 3.951 ( 0.000 0.000 2.146) 2.146 3.987 ( 0.000 0.000 -1.466) 1.466 4.336 ( 0.000 0.000 12.515) 12.515 4.491 ( 0.000 0.000 -5.259) 5.259 4.658 ( 0.000 0.000 11.871) 11.871 4.810 ( 0.000 0.000 -3.710) 3.710 5.023 ( 0.000 0.000 0.969) 0.969 5.038 ( 0.000 0.000 -0.379) 0.379 5.044 ( 0.000 0.000 0.393) 0.393 5.053 ( 0.000 0.000 -0.572) 0.572 5.597 ( 0.000 0.000 8.625) 8.625 5.780 ( 0.000 0.000 -11.151) 11.151 6.396 ( 0.000 0.000 1.377) 1.377 6.410 ( 0.000 0.000 0.398) 0.398 =================== 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 3/25920 10.0 42.896 40.056 37.699 0.000 0.000 0.000 3/25920 20.0 14.397 7.147 10.300 0.000 0.000 0.000 3/25920 30.0 9.519 3.835 6.375 0.000 0.000 0.000 3/25920 40.0 7.280 2.661 4.727 0.000 0.000 0.000 3/25920 50.0 5.934 2.051 3.796 0.000 0.000 0.000 3/25920 60.0 5.024 1.677 3.194 0.000 0.000 0.000 3/25920 70.0 4.365 1.423 2.770 0.000 0.000 0.000 3/25920 80.0 3.863 1.239 2.452 0.000 0.000 0.000 3/25920 90.0 3.467 1.098 2.204 0.000 0.000 0.000 3/25920 100.0 3.147 0.987 2.004 0.000 0.000 0.000 3/25920 110.0 2.881 0.898 1.838 0.000 0.000 0.000 3/25920 120.0 2.658 0.823 1.698 0.000 0.000 0.000 3/25920 130.0 2.467 0.760 1.578 0.000 0.000 0.000 3/25920 140.0 2.302 0.706 1.474 0.000 0.000 0.000 3/25920 150.0 2.157 0.660 1.384 0.000 0.000 0.000 3/25920 160.0 2.030 0.619 1.303 0.000 0.000 0.000 3/25920 170.0 1.917 0.583 1.232 0.000 0.000 0.000 3/25920 180.0 1.816 0.551 1.168 0.000 0.000 0.000 3/25920 190.0 1.725 0.523 1.110 0.000 0.000 0.000 3/25920 200.0 1.643 0.497 1.058 0.000 0.000 0.000 3/25920 210.0 1.569 0.473 1.010 0.000 0.000 0.000 3/25920 220.0 1.500 0.452 0.967 0.000 0.000 0.000 3/25920 230.0 1.438 0.433 0.927 0.000 0.000 0.000 3/25920 240.0 1.381 0.415 0.890 0.000 0.000 0.000 3/25920 250.0 1.327 0.399 0.856 0.000 0.000 0.000 3/25920 260.0 1.278 0.383 0.825 0.000 0.000 0.000 3/25920 270.0 1.233 0.369 0.795 0.000 0.000 0.000 3/25920 280.0 1.190 0.356 0.768 0.000 0.000 0.000 3/25920 290.0 1.151 0.344 0.743 0.000 0.000 0.000 3/25920 300.0 1.114 0.333 0.719 0.000 0.000 0.000 3/25920 310.0 1.079 0.322 0.697 0.000 0.000 0.000 3/25920 320.0 1.046 0.312 0.676 0.000 0.000 0.000 3/25920 330.0 1.015 0.303 0.656 0.000 0.000 0.000 3/25920 340.0 0.986 0.294 0.637 0.000 0.000 0.000 3/25920 350.0 0.959 0.286 0.619 0.000 0.000 0.000 3/25920 360.0 0.933 0.278 0.603 0.000 0.000 0.000 3/25920 370.0 0.909 0.271 0.587 0.000 0.000 0.000 3/25920 380.0 0.885 0.264 0.572 0.000 0.000 0.000 3/25920 390.0 0.863 0.257 0.558 0.000 0.000 0.000 3/25920 400.0 0.842 0.251 0.544 0.000 0.000 0.000 3/25920 410.0 0.822 0.244 0.531 0.000 0.000 0.000 3/25920 420.0 0.803 0.239 0.519 0.000 0.000 0.000 3/25920 430.0 0.785 0.233 0.507 0.000 0.000 0.000 3/25920 440.0 0.767 0.228 0.496 0.000 0.000 0.000 3/25920 450.0 0.751 0.223 0.485 0.000 0.000 0.000 3/25920 460.0 0.735 0.218 0.475 0.000 0.000 0.000 3/25920 470.0 0.720 0.214 0.465 0.000 0.000 0.000 3/25920 480.0 0.705 0.209 0.456 0.000 0.000 0.000 3/25920 490.0 0.691 0.205 0.446 0.000 0.000 0.000 3/25920 500.0 0.677 0.201 0.438 0.000 0.000 0.000 3/25920 510.0 0.664 0.197 0.429 0.000 0.000 0.000 3/25920 520.0 0.652 0.193 0.421 0.000 0.000 0.000 3/25920 530.0 0.640 0.190 0.413 0.000 0.000 0.000 3/25920 540.0 0.628 0.186 0.406 0.000 0.000 0.000 3/25920 550.0 0.617 0.183 0.399 0.000 0.000 0.000 3/25920 560.0 0.606 0.179 0.392 0.000 0.000 0.000 3/25920 570.0 0.596 0.176 0.385 0.000 0.000 0.000 3/25920 580.0 0.586 0.173 0.378 0.000 0.000 0.000 3/25920 590.0 0.576 0.170 0.372 0.000 0.000 0.000 3/25920 600.0 0.566 0.168 0.366 0.000 0.000 0.000 3/25920 610.0 0.557 0.165 0.360 0.000 0.000 0.000 3/25920 620.0 0.548 0.162 0.354 0.000 0.000 0.000 3/25920 630.0 0.540 0.160 0.349 0.000 0.000 0.000 3/25920 640.0 0.532 0.157 0.344 0.000 0.000 0.000 3/25920 650.0 0.524 0.155 0.338 0.000 0.000 0.000 3/25920 660.0 0.516 0.152 0.333 0.000 0.000 0.000 3/25920 670.0 0.508 0.150 0.328 0.000 0.000 0.000 3/25920 680.0 0.501 0.148 0.324 0.000 0.000 0.000 3/25920 690.0 0.494 0.146 0.319 0.000 0.000 0.000 3/25920 700.0 0.487 0.144 0.315 0.000 0.000 0.000 3/25920 710.0 0.480 0.142 0.310 0.000 0.000 0.000 3/25920 720.0 0.473 0.140 0.306 0.000 0.000 0.000 3/25920 730.0 0.467 0.138 0.302 0.000 0.000 0.000 3/25920 740.0 0.461 0.136 0.298 0.000 0.000 0.000 3/25920 750.0 0.455 0.134 0.294 0.000 0.000 0.000 3/25920 760.0 0.449 0.133 0.290 0.000 0.000 0.000 3/25920 770.0 0.443 0.131 0.286 0.000 0.000 0.000 3/25920 780.0 0.437 0.129 0.283 0.000 0.000 0.000 3/25920 790.0 0.432 0.128 0.279 0.000 0.000 0.000 3/25920 800.0 0.427 0.126 0.276 0.000 0.000 0.000 3/25920 810.0 0.421 0.124 0.272 0.000 0.000 0.000 3/25920 820.0 0.416 0.123 0.269 0.000 0.000 0.000 3/25920 830.0 0.411 0.121 0.266 0.000 0.000 0.000 3/25920 840.0 0.407 0.120 0.263 0.000 0.000 0.000 3/25920 850.0 0.402 0.119 0.260 0.000 0.000 0.000 3/25920 860.0 0.397 0.117 0.257 0.000 0.000 0.000 3/25920 870.0 0.393 0.116 0.254 0.000 0.000 0.000 3/25920 880.0 0.388 0.115 0.251 0.000 0.000 0.000 3/25920 890.0 0.384 0.113 0.248 0.000 0.000 0.000 3/25920 900.0 0.380 0.112 0.245 0.000 0.000 0.000 3/25920 910.0 0.376 0.111 0.243 0.000 0.000 0.000 3/25920 920.0 0.372 0.110 0.240 0.000 0.000 0.000 3/25920 930.0 0.368 0.108 0.238 0.000 0.000 0.000 3/25920 940.0 0.364 0.107 0.235 0.000 0.000 0.000 3/25920 950.0 0.360 0.106 0.233 0.000 0.000 0.000 3/25920 960.0 0.356 0.105 0.230 0.000 0.000 0.000 3/25920 970.0 0.353 0.104 0.228 0.000 0.000 0.000 3/25920 980.0 0.349 0.103 0.226 0.000 0.000 0.000 3/25920 990.0 0.346 0.102 0.223 0.000 0.000 0.000 3/25920 1000.0 0.342 0.101 0.221 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m12125.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:53:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|