----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:14:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 2.063532975000000 -6.746151679999999 0.000000000000000 b 2.063532975000000 6.746151679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.633971909999999 Atomic positions (fractional): *1 Ba 0.63441650539295 0.36558349460705 0.75000000000000 137.327 2 Ba 0.36558349460705 0.63441650539295 0.25000000000000 137.327 *3 Mg 0.90100720072364 0.09899279927637 0.75000000000000 24.305 4 Mg 0.09899279927636 0.90100720072364 0.25000000000000 24.305 *5 H 0.80778334294695 0.19221665705305 0.50292209539195 1.008 6 H 0.19221665705305 0.80778334294695 0.49707790460805 1.008 7 H 0.80778334294695 0.19221665705305 0.99707790460805 1.008 8 H 0.19221665705305 0.80778334294695 0.00292209539196 1.008 *9 H 0.41586687553669 0.58413312446331 0.75000000000000 1.008 10 H 0.58413312446331 0.41586687553669 0.25000000000000 1.008 *11 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 12 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.127065950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.492303359999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.633971909999999 Atomic positions (fractional): *1 Ba 0.50000000000000 0.86558349460705 0.75000000000000 137.327 > 1 2 Ba 0.00000000000000 0.63441650539295 0.25000000000000 137.327 > 2 3 Ba 0.00000000000000 0.36558349460705 0.75000000000000 137.327 > 1 4 Ba 0.50000000000000 0.13441650539295 0.25000000000000 137.327 > 2 *5 Mg 0.50000000000000 0.59899279927636 0.75000000000000 24.305 > 3 6 Mg 0.00000000000000 0.90100720072364 0.25000000000000 24.305 > 4 7 Mg 0.00000000000000 0.09899279927637 0.75000000000000 24.305 > 3 8 Mg 0.50000000000000 0.40100720072363 0.25000000000000 24.305 > 4 *9 H 0.50000000000000 0.69221665705305 0.50292209539195 1.008 > 5 10 H 0.00000000000000 0.80778334294695 0.49707790460805 1.008 > 6 11 H 0.50000000000000 0.69221665705305 0.99707790460805 1.008 > 7 12 H 0.00000000000000 0.80778334294695 0.00292209539196 1.008 > 8 *13 H 0.00000000000000 0.58413312446331 0.75000000000000 1.008 > 9 14 H 0.50000000000000 0.91586687553669 0.25000000000000 1.008 > 10 *15 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 11 16 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 12 17 H 0.00000000000000 0.19221665705305 0.50292209539195 1.008 > 5 18 H 0.50000000000000 0.30778334294695 0.49707790460805 1.008 > 6 19 H 0.00000000000000 0.19221665705305 0.99707790460805 1.008 > 7 20 H 0.50000000000000 0.30778334294695 0.00292209539196 1.008 > 8 21 H 0.50000000000000 0.08413312446330 0.75000000000000 1.008 > 9 22 H 0.00000000000000 0.41586687553669 0.25000000000000 1.008 > 10 23 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 > 11 24 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.381197850000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.492303359999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.267943819999998 Atomic positions (fractional): *1 Ba 0.16666666666667 0.86558349460705 0.37500000000000 137.327 > 1 2 Ba 0.50000000000000 0.86558349460705 0.37500000000000 137.327 > 1 3 Ba 0.83333333333333 0.86558349460705 0.37500000000000 137.327 > 1 4 Ba 0.16666666666667 0.86558349460705 0.87500000000000 137.327 > 1 5 Ba 0.50000000000000 0.86558349460705 0.87500000000000 137.327 > 1 6 Ba 0.83333333333333 0.86558349460705 0.87500000000000 137.327 > 1 7 Ba 0.00000000000000 0.63441650539295 0.12500000000000 137.327 > 2 8 Ba 0.33333333333333 0.63441650539295 0.12500000000000 137.327 > 2 9 Ba 0.66666666666667 0.63441650539295 0.12500000000000 137.327 > 2 10 Ba 0.00000000000000 0.63441650539295 0.62500000000000 137.327 > 2 11 Ba 0.33333333333333 0.63441650539295 0.62500000000000 137.327 > 2 12 Ba 0.66666666666667 0.63441650539295 0.62500000000000 137.327 > 2 13 Ba 0.00000000000000 0.36558349460705 0.37500000000000 137.327 > 1 14 Ba 0.33333333333333 0.36558349460705 0.37500000000000 137.327 > 1 15 Ba 0.66666666666667 0.36558349460705 0.37500000000000 137.327 > 1 16 Ba 0.00000000000000 0.36558349460705 0.87500000000000 137.327 > 1 17 Ba 0.33333333333333 0.36558349460705 0.87500000000000 137.327 > 1 18 Ba 0.66666666666667 0.36558349460705 0.87500000000000 137.327 > 1 19 Ba 0.16666666666667 0.13441650539295 0.12500000000000 137.327 > 2 20 Ba 0.50000000000000 0.13441650539295 0.12500000000000 137.327 > 2 21 Ba 0.83333333333333 0.13441650539295 0.12500000000000 137.327 > 2 22 Ba 0.16666666666667 0.13441650539295 0.62500000000000 137.327 > 2 23 Ba 0.50000000000000 0.13441650539295 0.62500000000000 137.327 > 2 24 Ba 0.83333333333333 0.13441650539295 0.62500000000000 137.327 > 2 *25 Mg 0.16666666666667 0.59899279927636 0.37500000000000 24.305 > 3 26 Mg 0.50000000000000 0.59899279927636 0.37500000000000 24.305 > 3 27 Mg 0.83333333333333 0.59899279927636 0.37500000000000 24.305 > 3 28 Mg 0.16666666666667 0.59899279927636 0.87500000000000 24.305 > 3 29 Mg 0.50000000000000 0.59899279927636 0.87500000000000 24.305 > 3 30 Mg 0.83333333333333 0.59899279927636 0.87500000000000 24.305 > 3 31 Mg 0.00000000000000 0.90100720072364 0.12500000000000 24.305 > 4 32 Mg 0.33333333333333 0.90100720072364 0.12500000000000 24.305 > 4 33 Mg 0.66666666666667 0.90100720072364 0.12500000000000 24.305 > 4 34 Mg 0.00000000000000 0.90100720072364 0.62500000000000 24.305 > 4 35 Mg 0.33333333333333 0.90100720072364 0.62500000000000 24.305 > 4 36 Mg 0.66666666666667 0.90100720072364 0.62500000000000 24.305 > 4 37 Mg 0.00000000000000 0.09899279927637 0.37500000000000 24.305 > 3 38 Mg 0.33333333333333 0.09899279927637 0.37500000000000 24.305 > 3 39 Mg 0.66666666666667 0.09899279927637 0.37500000000000 24.305 > 3 40 Mg 0.00000000000000 0.09899279927637 0.87500000000000 24.305 > 3 41 Mg 0.33333333333333 0.09899279927637 0.87500000000000 24.305 > 3 42 Mg 0.66666666666667 0.09899279927637 0.87500000000000 24.305 > 3 43 Mg 0.16666666666667 0.40100720072363 0.12500000000000 24.305 > 4 44 Mg 0.50000000000000 0.40100720072363 0.12500000000000 24.305 > 4 45 Mg 0.83333333333333 0.40100720072363 0.12500000000000 24.305 > 4 46 Mg 0.16666666666667 0.40100720072363 0.62500000000000 24.305 > 4 47 Mg 0.50000000000000 0.40100720072363 0.62500000000000 24.305 > 4 48 Mg 0.83333333333333 0.40100720072363 0.62500000000000 24.305 > 4 *49 H 0.16666666666667 0.69221665705305 0.25146104769598 1.008 > 5 50 H 0.50000000000000 0.69221665705305 0.25146104769598 1.008 > 5 51 H 0.83333333333333 0.69221665705305 0.25146104769598 1.008 > 5 52 H 0.16666666666667 0.69221665705305 0.75146104769598 1.008 > 5 53 H 0.50000000000000 0.69221665705305 0.75146104769598 1.008 > 5 54 H 0.83333333333333 0.69221665705305 0.75146104769598 1.008 > 5 55 H 0.00000000000000 0.80778334294695 0.24853895230402 1.008 > 6 56 H 0.33333333333333 0.80778334294695 0.24853895230402 1.008 > 6 57 H 0.66666666666667 0.80778334294695 0.24853895230402 1.008 > 6 58 H 0.00000000000000 0.80778334294695 0.74853895230402 1.008 > 6 59 H 0.33333333333333 0.80778334294695 0.74853895230402 1.008 > 6 60 H 0.66666666666667 0.80778334294695 0.74853895230402 1.008 > 6 61 H 0.16666666666667 0.69221665705305 0.49853895230402 1.008 > 7 62 H 0.50000000000000 0.69221665705305 0.49853895230402 1.008 > 7 63 H 0.83333333333333 0.69221665705305 0.49853895230402 1.008 > 7 64 H 0.16666666666667 0.69221665705305 0.99853895230402 1.008 > 7 65 H 0.50000000000000 0.69221665705305 0.99853895230402 1.008 > 7 66 H 0.83333333333333 0.69221665705305 0.99853895230402 1.008 > 7 67 H 0.00000000000000 0.80778334294695 0.00146104769598 1.008 > 8 68 H 0.33333333333333 0.80778334294695 0.00146104769598 1.008 > 8 69 H 0.66666666666667 0.80778334294695 0.00146104769598 1.008 > 8 70 H 0.00000000000000 0.80778334294695 0.50146104769598 1.008 > 8 71 H 0.33333333333333 0.80778334294695 0.50146104769598 1.008 > 8 72 H 0.66666666666667 0.80778334294695 0.50146104769598 1.008 > 8 *73 H 0.00000000000000 0.58413312446331 0.37500000000000 1.008 > 9 74 H 0.33333333333333 0.58413312446331 0.37500000000000 1.008 > 9 75 H 0.66666666666667 0.58413312446331 0.37500000000000 1.008 > 9 76 H 0.00000000000000 0.58413312446331 0.87500000000000 1.008 > 9 77 H 0.33333333333333 0.58413312446331 0.87500000000000 1.008 > 9 78 H 0.66666666666667 0.58413312446331 0.87500000000000 1.008 > 9 79 H 0.16666666666667 0.91586687553669 0.12500000000000 1.008 > 10 80 H 0.50000000000000 0.91586687553669 0.12500000000000 1.008 > 10 81 H 0.83333333333333 0.91586687553669 0.12500000000000 1.008 > 10 82 H 0.16666666666667 0.91586687553669 0.62500000000000 1.008 > 10 83 H 0.50000000000000 0.91586687553669 0.62500000000000 1.008 > 10 84 H 0.83333333333333 0.91586687553669 0.62500000000000 1.008 > 10 *85 H 0.00000000000000 0.00000000000000 0.25000000000000 1.008 > 11 86 H 0.33333333333333 0.00000000000000 0.25000000000000 1.008 > 11 87 H 0.66666666666667 0.00000000000000 0.25000000000000 1.008 > 11 88 H 0.00000000000000 0.00000000000000 0.75000000000000 1.008 > 11 89 H 0.33333333333333 0.00000000000000 0.75000000000000 1.008 > 11 90 H 0.66666666666667 0.00000000000000 0.75000000000000 1.008 > 11 91 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 12 92 H 0.33333333333333 0.00000000000000 0.00000000000000 1.008 > 12 93 H 0.66666666666667 0.00000000000000 0.00000000000000 1.008 > 12 94 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 12 95 H 0.33333333333333 0.00000000000000 0.50000000000000 1.008 > 12 96 H 0.66666666666667 0.00000000000000 0.50000000000000 1.008 > 12 97 H 0.00000000000000 0.19221665705305 0.25146104769598 1.008 > 5 98 H 0.33333333333333 0.19221665705305 0.25146104769598 1.008 > 5 99 H 0.66666666666667 0.19221665705305 0.25146104769598 1.008 > 5 100 H 0.00000000000000 0.19221665705305 0.75146104769598 1.008 > 5 101 H 0.33333333333333 0.19221665705305 0.75146104769598 1.008 > 5 102 H 0.66666666666667 0.19221665705305 0.75146104769598 1.008 > 5 103 H 0.16666666666667 0.30778334294695 0.24853895230402 1.008 > 6 104 H 0.50000000000000 0.30778334294695 0.24853895230402 1.008 > 6 105 H 0.83333333333333 0.30778334294695 0.24853895230402 1.008 > 6 106 H 0.16666666666667 0.30778334294695 0.74853895230402 1.008 > 6 107 H 0.50000000000000 0.30778334294695 0.74853895230402 1.008 > 6 108 H 0.83333333333333 0.30778334294695 0.74853895230402 1.008 > 6 109 H 0.00000000000000 0.19221665705305 0.49853895230402 1.008 > 7 110 H 0.33333333333333 0.19221665705305 0.49853895230402 1.008 > 7 111 H 0.66666666666667 0.19221665705305 0.49853895230402 1.008 > 7 112 H 0.00000000000000 0.19221665705305 0.99853895230402 1.008 > 7 113 H 0.33333333333333 0.19221665705305 0.99853895230402 1.008 > 7 114 H 0.66666666666667 0.19221665705305 0.99853895230402 1.008 > 7 115 H 0.16666666666667 0.30778334294695 0.00146104769598 1.008 > 8 116 H 0.50000000000000 0.30778334294695 0.00146104769598 1.008 > 8 117 H 0.83333333333333 0.30778334294695 0.00146104769598 1.008 > 8 118 H 0.16666666666667 0.30778334294695 0.50146104769598 1.008 > 8 119 H 0.50000000000000 0.30778334294695 0.50146104769598 1.008 > 8 120 H 0.83333333333333 0.30778334294695 0.50146104769598 1.008 > 8 121 H 0.16666666666667 0.08413312446330 0.37500000000000 1.008 > 9 122 H 0.50000000000000 0.08413312446330 0.37500000000000 1.008 > 9 123 H 0.83333333333333 0.08413312446330 0.37500000000000 1.008 > 9 124 H 0.16666666666667 0.08413312446330 0.87500000000000 1.008 > 9 125 H 0.50000000000000 0.08413312446330 0.87500000000000 1.008 > 9 126 H 0.83333333333333 0.08413312446330 0.87500000000000 1.008 > 9 127 H 0.00000000000000 0.41586687553669 0.12500000000000 1.008 > 10 128 H 0.33333333333333 0.41586687553669 0.12500000000000 1.008 > 10 129 H 0.66666666666667 0.41586687553669 0.12500000000000 1.008 > 10 130 H 0.00000000000000 0.41586687553669 0.62500000000000 1.008 > 10 131 H 0.33333333333333 0.41586687553669 0.62500000000000 1.008 > 10 132 H 0.66666666666667 0.41586687553669 0.62500000000000 1.008 > 10 133 H 0.16666666666667 0.50000000000000 0.25000000000000 1.008 > 11 134 H 0.50000000000000 0.50000000000000 0.25000000000000 1.008 > 11 135 H 0.83333333333333 0.50000000000000 0.25000000000000 1.008 > 11 136 H 0.16666666666667 0.50000000000000 0.75000000000000 1.008 > 11 137 H 0.50000000000000 0.50000000000000 0.75000000000000 1.008 > 11 138 H 0.83333333333333 0.50000000000000 0.75000000000000 1.008 > 11 139 H 0.16666666666667 0.50000000000000 0.00000000000000 1.008 > 12 140 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 12 141 H 0.83333333333333 0.50000000000000 0.00000000000000 1.008 > 12 142 H 0.16666666666667 0.50000000000000 0.50000000000000 1.008 > 12 143 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 > 12 144 H 0.83333333333333 0.50000000000000 0.50000000000000 1.008 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1954196 0.0000000 0.0000000 0.0000000 4.7730318 0.0000000 0.0000000 0.0000000 4.9884368 -------------------------- Born effective charges -------------------------- 1 Ba 2.4281128 0.0000000 0.0000000 0.0000000 2.2908142 0.0000000 0.0000000 0.0000000 2.4850468 2 Ba 2.4281128 0.0000000 0.0000000 0.0000000 2.2908142 0.0000000 0.0000000 0.0000000 2.4850468 3 Mg 1.8700409 0.0000000 0.0000000 0.0000000 1.5943119 0.0000000 0.0000000 0.0000000 1.7499116 4 Mg 1.8700409 0.0000000 0.0000000 0.0000000 1.5943119 0.0000000 0.0000000 0.0000000 1.7499116 5 H -1.0293120 0.0000000 0.0000000 0.0000000 -1.0057860 -0.0555916 0.0000000 -0.1614411 -1.0272735 6 H -1.0293120 0.0000000 0.0000000 0.0000000 -1.0057860 -0.0555916 0.0000000 -0.1614411 -1.0272735 7 H -1.0293120 0.0000000 0.0000000 0.0000000 -1.0057860 0.0555916 0.0000000 0.1614411 -1.0272735 8 H -1.0293120 0.0000000 0.0000000 0.0000000 -1.0057860 0.0555916 0.0000000 0.1614411 -1.0272735 9 H -1.2409183 0.0000000 0.0000000 0.0000000 -0.8205575 0.0000000 0.0000000 0.0000000 -1.0542371 10 H -1.2409183 0.0000000 0.0000000 0.0000000 -0.8205575 0.0000000 0.0000000 0.0000000 -1.0542371 11 H -0.9986113 0.0000000 0.0000000 0.0000000 -1.0529968 -0.0812982 0.0000000 -0.0430731 -1.1261743 12 H -0.9986113 0.0000000 0.0000000 0.0000000 -1.0529968 0.0812982 0.0000000 0.0430731 -1.1261743 ---------------------------------------------------------------------------- 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: 9972/9972 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: 1.621 Solver_block: 200 / 240 - Time: 1.655 Solver_block: 240 / 240 - Time: 0.744 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.046 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 9972/9972 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 2026-01-08 21:14:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:14:22]------------------------- 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 2.063532975000000 -6.746151679999999 0.000000000000000 b 2.063532975000000 6.746151679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.633971909999999 Atomic positions (fractional): 1 Ba 0.63441650539295 0.36558349460705 0.75000000000000 137.327 2 Ba 0.36558349460705 0.63441650539295 0.25000000000000 137.327 3 Mg 0.90100720072364 0.09899279927637 0.75000000000000 24.305 4 Mg 0.09899279927636 0.90100720072364 0.25000000000000 24.305 5 H 0.80778334294695 0.19221665705305 0.50292209539195 1.008 6 H 0.19221665705305 0.80778334294695 0.49707790460805 1.008 7 H 0.80778334294695 0.19221665705305 0.99707790460805 1.008 8 H 0.19221665705305 0.80778334294695 0.00292209539196 1.008 9 H 0.41586687553669 0.58413312446331 0.75000000000000 1.008 10 H 0.58413312446331 0.41586687553669 0.25000000000000 1.008 11 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 12 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.381197850000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.492303359999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.267943819999998 Atomic positions (fractional): 1 Ba 0.16666666666667 0.86558349460705 0.37500000000000 137.327 > 1 2 Ba 0.50000000000000 0.86558349460705 0.37500000000000 137.327 > 1 3 Ba 0.83333333333333 0.86558349460705 0.37500000000000 137.327 > 1 4 Ba 0.16666666666667 0.86558349460705 0.87500000000000 137.327 > 1 5 Ba 0.50000000000000 0.86558349460705 0.87500000000000 137.327 > 1 6 Ba 0.83333333333333 0.86558349460705 0.87500000000000 137.327 > 1 7 Ba 0.00000000000000 0.63441650539295 0.12500000000000 137.327 > 7 8 Ba 0.33333333333333 0.63441650539295 0.12500000000000 137.327 > 7 9 Ba 0.66666666666667 0.63441650539295 0.12500000000000 137.327 > 7 10 Ba 0.00000000000000 0.63441650539295 0.62500000000000 137.327 > 7 11 Ba 0.33333333333333 0.63441650539295 0.62500000000000 137.327 > 7 12 Ba 0.66666666666667 0.63441650539295 0.62500000000000 137.327 > 7 13 Ba 0.00000000000000 0.36558349460705 0.37500000000000 137.327 > 1 14 Ba 0.33333333333333 0.36558349460705 0.37500000000000 137.327 > 1 15 Ba 0.66666666666667 0.36558349460705 0.37500000000000 137.327 > 1 16 Ba 0.00000000000000 0.36558349460705 0.87500000000000 137.327 > 1 17 Ba 0.33333333333333 0.36558349460705 0.87500000000000 137.327 > 1 18 Ba 0.66666666666667 0.36558349460705 0.87500000000000 137.327 > 1 19 Ba 0.16666666666667 0.13441650539295 0.12500000000000 137.327 > 7 20 Ba 0.50000000000000 0.13441650539295 0.12500000000000 137.327 > 7 21 Ba 0.83333333333333 0.13441650539295 0.12500000000000 137.327 > 7 22 Ba 0.16666666666667 0.13441650539295 0.62500000000000 137.327 > 7 23 Ba 0.50000000000000 0.13441650539295 0.62500000000000 137.327 > 7 24 Ba 0.83333333333333 0.13441650539295 0.62500000000000 137.327 > 7 25 Mg 0.16666666666667 0.59899279927636 0.37500000000000 24.305 > 25 26 Mg 0.50000000000000 0.59899279927636 0.37500000000000 24.305 > 25 27 Mg 0.83333333333333 0.59899279927636 0.37500000000000 24.305 > 25 28 Mg 0.16666666666667 0.59899279927636 0.87500000000000 24.305 > 25 29 Mg 0.50000000000000 0.59899279927636 0.87500000000000 24.305 > 25 30 Mg 0.83333333333333 0.59899279927636 0.87500000000000 24.305 > 25 31 Mg 0.00000000000000 0.90100720072364 0.12500000000000 24.305 > 31 32 Mg 0.33333333333333 0.90100720072364 0.12500000000000 24.305 > 31 33 Mg 0.66666666666667 0.90100720072364 0.12500000000000 24.305 > 31 34 Mg 0.00000000000000 0.90100720072364 0.62500000000000 24.305 > 31 35 Mg 0.33333333333333 0.90100720072364 0.62500000000000 24.305 > 31 36 Mg 0.66666666666667 0.90100720072364 0.62500000000000 24.305 > 31 37 Mg 0.00000000000000 0.09899279927637 0.37500000000000 24.305 > 25 38 Mg 0.33333333333333 0.09899279927637 0.37500000000000 24.305 > 25 39 Mg 0.66666666666667 0.09899279927637 0.37500000000000 24.305 > 25 40 Mg 0.00000000000000 0.09899279927637 0.87500000000000 24.305 > 25 41 Mg 0.33333333333333 0.09899279927637 0.87500000000000 24.305 > 25 42 Mg 0.66666666666667 0.09899279927637 0.87500000000000 24.305 > 25 43 Mg 0.16666666666667 0.40100720072363 0.12500000000000 24.305 > 31 44 Mg 0.50000000000000 0.40100720072363 0.12500000000000 24.305 > 31 45 Mg 0.83333333333333 0.40100720072363 0.12500000000000 24.305 > 31 46 Mg 0.16666666666667 0.40100720072363 0.62500000000000 24.305 > 31 47 Mg 0.50000000000000 0.40100720072363 0.62500000000000 24.305 > 31 48 Mg 0.83333333333333 0.40100720072363 0.62500000000000 24.305 > 31 49 H 0.16666666666667 0.69221665705305 0.25146104769598 1.008 > 49 50 H 0.50000000000000 0.69221665705305 0.25146104769598 1.008 > 49 51 H 0.83333333333333 0.69221665705305 0.25146104769598 1.008 > 49 52 H 0.16666666666667 0.69221665705305 0.75146104769598 1.008 > 49 53 H 0.50000000000000 0.69221665705305 0.75146104769598 1.008 > 49 54 H 0.83333333333333 0.69221665705305 0.75146104769598 1.008 > 49 55 H 0.00000000000000 0.80778334294695 0.24853895230402 1.008 > 55 56 H 0.33333333333333 0.80778334294695 0.24853895230402 1.008 > 55 57 H 0.66666666666667 0.80778334294695 0.24853895230402 1.008 > 55 58 H 0.00000000000000 0.80778334294695 0.74853895230402 1.008 > 55 59 H 0.33333333333333 0.80778334294695 0.74853895230402 1.008 > 55 60 H 0.66666666666667 0.80778334294695 0.74853895230402 1.008 > 55 61 H 0.16666666666667 0.69221665705305 0.49853895230402 1.008 > 61 62 H 0.50000000000000 0.69221665705305 0.49853895230402 1.008 > 61 63 H 0.83333333333333 0.69221665705305 0.49853895230402 1.008 > 61 64 H 0.16666666666667 0.69221665705305 0.99853895230402 1.008 > 61 65 H 0.50000000000000 0.69221665705305 0.99853895230402 1.008 > 61 66 H 0.83333333333333 0.69221665705305 0.99853895230402 1.008 > 61 67 H 0.00000000000000 0.80778334294695 0.00146104769598 1.008 > 67 68 H 0.33333333333333 0.80778334294695 0.00146104769598 1.008 > 67 69 H 0.66666666666667 0.80778334294695 0.00146104769598 1.008 > 67 70 H 0.00000000000000 0.80778334294695 0.50146104769598 1.008 > 67 71 H 0.33333333333333 0.80778334294695 0.50146104769598 1.008 > 67 72 H 0.66666666666667 0.80778334294695 0.50146104769598 1.008 > 67 73 H 0.00000000000000 0.58413312446331 0.37500000000000 1.008 > 73 74 H 0.33333333333333 0.58413312446331 0.37500000000000 1.008 > 73 75 H 0.66666666666667 0.58413312446331 0.37500000000000 1.008 > 73 76 H 0.00000000000000 0.58413312446331 0.87500000000000 1.008 > 73 77 H 0.33333333333333 0.58413312446331 0.87500000000000 1.008 > 73 78 H 0.66666666666667 0.58413312446331 0.87500000000000 1.008 > 73 79 H 0.16666666666667 0.91586687553669 0.12500000000000 1.008 > 79 80 H 0.50000000000000 0.91586687553669 0.12500000000000 1.008 > 79 81 H 0.83333333333333 0.91586687553669 0.12500000000000 1.008 > 79 82 H 0.16666666666667 0.91586687553669 0.62500000000000 1.008 > 79 83 H 0.50000000000000 0.91586687553669 0.62500000000000 1.008 > 79 84 H 0.83333333333333 0.91586687553669 0.62500000000000 1.008 > 79 85 H 0.00000000000000 0.00000000000000 0.25000000000000 1.008 > 85 86 H 0.33333333333333 0.00000000000000 0.25000000000000 1.008 > 85 87 H 0.66666666666667 0.00000000000000 0.25000000000000 1.008 > 85 88 H 0.00000000000000 0.00000000000000 0.75000000000000 1.008 > 85 89 H 0.33333333333333 0.00000000000000 0.75000000000000 1.008 > 85 90 H 0.66666666666667 0.00000000000000 0.75000000000000 1.008 > 85 91 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 91 92 H 0.33333333333333 0.00000000000000 0.00000000000000 1.008 > 91 93 H 0.66666666666667 0.00000000000000 0.00000000000000 1.008 > 91 94 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 91 95 H 0.33333333333333 0.00000000000000 0.50000000000000 1.008 > 91 96 H 0.66666666666667 0.00000000000000 0.50000000000000 1.008 > 91 97 H 0.00000000000000 0.19221665705305 0.25146104769598 1.008 > 49 98 H 0.33333333333333 0.19221665705305 0.25146104769598 1.008 > 49 99 H 0.66666666666667 0.19221665705305 0.25146104769598 1.008 > 49 100 H 0.00000000000000 0.19221665705305 0.75146104769598 1.008 > 49 101 H 0.33333333333333 0.19221665705305 0.75146104769598 1.008 > 49 102 H 0.66666666666667 0.19221665705305 0.75146104769598 1.008 > 49 103 H 0.16666666666667 0.30778334294695 0.24853895230402 1.008 > 55 104 H 0.50000000000000 0.30778334294695 0.24853895230402 1.008 > 55 105 H 0.83333333333333 0.30778334294695 0.24853895230402 1.008 > 55 106 H 0.16666666666667 0.30778334294695 0.74853895230402 1.008 > 55 107 H 0.50000000000000 0.30778334294695 0.74853895230402 1.008 > 55 108 H 0.83333333333333 0.30778334294695 0.74853895230402 1.008 > 55 109 H 0.00000000000000 0.19221665705305 0.49853895230402 1.008 > 61 110 H 0.33333333333333 0.19221665705305 0.49853895230402 1.008 > 61 111 H 0.66666666666667 0.19221665705305 0.49853895230402 1.008 > 61 112 H 0.00000000000000 0.19221665705305 0.99853895230402 1.008 > 61 113 H 0.33333333333333 0.19221665705305 0.99853895230402 1.008 > 61 114 H 0.66666666666667 0.19221665705305 0.99853895230402 1.008 > 61 115 H 0.16666666666667 0.30778334294695 0.00146104769598 1.008 > 67 116 H 0.50000000000000 0.30778334294695 0.00146104769598 1.008 > 67 117 H 0.83333333333333 0.30778334294695 0.00146104769598 1.008 > 67 118 H 0.16666666666667 0.30778334294695 0.50146104769598 1.008 > 67 119 H 0.50000000000000 0.30778334294695 0.50146104769598 1.008 > 67 120 H 0.83333333333333 0.30778334294695 0.50146104769598 1.008 > 67 121 H 0.16666666666667 0.08413312446330 0.37500000000000 1.008 > 73 122 H 0.50000000000000 0.08413312446330 0.37500000000000 1.008 > 73 123 H 0.83333333333333 0.08413312446330 0.37500000000000 1.008 > 73 124 H 0.16666666666667 0.08413312446330 0.87500000000000 1.008 > 73 125 H 0.50000000000000 0.08413312446330 0.87500000000000 1.008 > 73 126 H 0.83333333333333 0.08413312446330 0.87500000000000 1.008 > 73 127 H 0.00000000000000 0.41586687553669 0.12500000000000 1.008 > 79 128 H 0.33333333333333 0.41586687553669 0.12500000000000 1.008 > 79 129 H 0.66666666666667 0.41586687553669 0.12500000000000 1.008 > 79 130 H 0.00000000000000 0.41586687553669 0.62500000000000 1.008 > 79 131 H 0.33333333333333 0.41586687553669 0.62500000000000 1.008 > 79 132 H 0.66666666666667 0.41586687553669 0.62500000000000 1.008 > 79 133 H 0.16666666666667 0.50000000000000 0.25000000000000 1.008 > 85 134 H 0.50000000000000 0.50000000000000 0.25000000000000 1.008 > 85 135 H 0.83333333333333 0.50000000000000 0.25000000000000 1.008 > 85 136 H 0.16666666666667 0.50000000000000 0.75000000000000 1.008 > 85 137 H 0.50000000000000 0.50000000000000 0.75000000000000 1.008 > 85 138 H 0.83333333333333 0.50000000000000 0.75000000000000 1.008 > 85 139 H 0.16666666666667 0.50000000000000 0.00000000000000 1.008 > 91 140 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 91 141 H 0.83333333333333 0.50000000000000 0.00000000000000 1.008 > 91 142 H 0.16666666666667 0.50000000000000 0.50000000000000 1.008 > 91 143 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 > 91 144 H 0.83333333333333 0.50000000000000 0.50000000000000 1.008 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1954196 0.0000000 0.0000000 0.0000000 4.7730318 0.0000000 0.0000000 0.0000000 4.9884368 -------------------------- Born effective charges -------------------------- 1 Ba 2.4281128 0.0000000 0.0000000 0.0000000 2.2908142 0.0000000 0.0000000 0.0000000 2.4850468 2 Ba 2.4281128 0.0000000 0.0000000 0.0000000 2.2908142 0.0000000 0.0000000 0.0000000 2.4850468 3 Mg 1.8700409 0.0000000 0.0000000 0.0000000 1.5943119 0.0000000 0.0000000 0.0000000 1.7499116 4 Mg 1.8700409 0.0000000 0.0000000 0.0000000 1.5943119 0.0000000 0.0000000 0.0000000 1.7499116 5 H -1.0293120 0.0000000 0.0000000 0.0000000 -1.0057860 -0.0555916 0.0000000 -0.1614411 -1.0272735 6 H -1.0293120 0.0000000 0.0000000 0.0000000 -1.0057860 -0.0555916 0.0000000 -0.1614411 -1.0272735 7 H -1.0293120 0.0000000 0.0000000 0.0000000 -1.0057860 0.0555916 0.0000000 0.1614411 -1.0272735 8 H -1.0293120 0.0000000 0.0000000 0.0000000 -1.0057860 0.0555916 0.0000000 0.1614411 -1.0272735 9 H -1.2409183 0.0000000 0.0000000 0.0000000 -0.8205575 0.0000000 0.0000000 0.0000000 -1.0542371 10 H -1.2409183 0.0000000 0.0000000 0.0000000 -0.8205575 0.0000000 0.0000000 0.0000000 -1.0542371 11 H -0.9986113 0.0000000 0.0000000 0.0000000 -1.0529968 -0.0812982 0.0000000 -0.0430731 -1.1261743 12 H -0.9986113 0.0000000 0.0000000 0.0000000 -1.0529968 0.0812982 0.0000000 0.0430731 -1.1261743 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 2026-01-08 21:14:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:14:41]------------------------- 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 2.063532975000000 -6.746151679999999 0.000000000000000 b 2.063532975000000 6.746151679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.633971909999999 Atomic positions (fractional): 1 Ba 0.63441650539295 0.36558349460705 0.75000000000000 137.327 2 Ba 0.36558349460705 0.63441650539295 0.25000000000000 137.327 3 Mg 0.90100720072364 0.09899279927637 0.75000000000000 24.305 4 Mg 0.09899279927636 0.90100720072364 0.25000000000000 24.305 5 H 0.80778334294695 0.19221665705305 0.50292209539195 1.008 6 H 0.19221665705305 0.80778334294695 0.49707790460805 1.008 7 H 0.80778334294695 0.19221665705305 0.99707790460805 1.008 8 H 0.19221665705305 0.80778334294695 0.00292209539196 1.008 9 H 0.41586687553669 0.58413312446331 0.75000000000000 1.008 10 H 0.58413312446331 0.41586687553669 0.25000000000000 1.008 11 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 12 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.381197850000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.492303359999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.267943819999998 Atomic positions (fractional): 1 Ba 0.16666666666667 0.86558349460705 0.37500000000000 137.327 > 1 2 Ba 0.50000000000000 0.86558349460705 0.37500000000000 137.327 > 1 3 Ba 0.83333333333333 0.86558349460705 0.37500000000000 137.327 > 1 4 Ba 0.16666666666667 0.86558349460705 0.87500000000000 137.327 > 1 5 Ba 0.50000000000000 0.86558349460705 0.87500000000000 137.327 > 1 6 Ba 0.83333333333333 0.86558349460705 0.87500000000000 137.327 > 1 7 Ba 0.00000000000000 0.63441650539295 0.12500000000000 137.327 > 7 8 Ba 0.33333333333333 0.63441650539295 0.12500000000000 137.327 > 7 9 Ba 0.66666666666667 0.63441650539295 0.12500000000000 137.327 > 7 10 Ba 0.00000000000000 0.63441650539295 0.62500000000000 137.327 > 7 11 Ba 0.33333333333333 0.63441650539295 0.62500000000000 137.327 > 7 12 Ba 0.66666666666667 0.63441650539295 0.62500000000000 137.327 > 7 13 Ba 0.00000000000000 0.36558349460705 0.37500000000000 137.327 > 1 14 Ba 0.33333333333333 0.36558349460705 0.37500000000000 137.327 > 1 15 Ba 0.66666666666667 0.36558349460705 0.37500000000000 137.327 > 1 16 Ba 0.00000000000000 0.36558349460705 0.87500000000000 137.327 > 1 17 Ba 0.33333333333333 0.36558349460705 0.87500000000000 137.327 > 1 18 Ba 0.66666666666667 0.36558349460705 0.87500000000000 137.327 > 1 19 Ba 0.16666666666667 0.13441650539295 0.12500000000000 137.327 > 7 20 Ba 0.50000000000000 0.13441650539295 0.12500000000000 137.327 > 7 21 Ba 0.83333333333333 0.13441650539295 0.12500000000000 137.327 > 7 22 Ba 0.16666666666667 0.13441650539295 0.62500000000000 137.327 > 7 23 Ba 0.50000000000000 0.13441650539295 0.62500000000000 137.327 > 7 24 Ba 0.83333333333333 0.13441650539295 0.62500000000000 137.327 > 7 25 Mg 0.16666666666667 0.59899279927636 0.37500000000000 24.305 > 25 26 Mg 0.50000000000000 0.59899279927636 0.37500000000000 24.305 > 25 27 Mg 0.83333333333333 0.59899279927636 0.37500000000000 24.305 > 25 28 Mg 0.16666666666667 0.59899279927636 0.87500000000000 24.305 > 25 29 Mg 0.50000000000000 0.59899279927636 0.87500000000000 24.305 > 25 30 Mg 0.83333333333333 0.59899279927636 0.87500000000000 24.305 > 25 31 Mg 0.00000000000000 0.90100720072364 0.12500000000000 24.305 > 31 32 Mg 0.33333333333333 0.90100720072364 0.12500000000000 24.305 > 31 33 Mg 0.66666666666667 0.90100720072364 0.12500000000000 24.305 > 31 34 Mg 0.00000000000000 0.90100720072364 0.62500000000000 24.305 > 31 35 Mg 0.33333333333333 0.90100720072364 0.62500000000000 24.305 > 31 36 Mg 0.66666666666667 0.90100720072364 0.62500000000000 24.305 > 31 37 Mg 0.00000000000000 0.09899279927637 0.37500000000000 24.305 > 25 38 Mg 0.33333333333333 0.09899279927637 0.37500000000000 24.305 > 25 39 Mg 0.66666666666667 0.09899279927637 0.37500000000000 24.305 > 25 40 Mg 0.00000000000000 0.09899279927637 0.87500000000000 24.305 > 25 41 Mg 0.33333333333333 0.09899279927637 0.87500000000000 24.305 > 25 42 Mg 0.66666666666667 0.09899279927637 0.87500000000000 24.305 > 25 43 Mg 0.16666666666667 0.40100720072363 0.12500000000000 24.305 > 31 44 Mg 0.50000000000000 0.40100720072363 0.12500000000000 24.305 > 31 45 Mg 0.83333333333333 0.40100720072363 0.12500000000000 24.305 > 31 46 Mg 0.16666666666667 0.40100720072363 0.62500000000000 24.305 > 31 47 Mg 0.50000000000000 0.40100720072363 0.62500000000000 24.305 > 31 48 Mg 0.83333333333333 0.40100720072363 0.62500000000000 24.305 > 31 49 H 0.16666666666667 0.69221665705305 0.25146104769598 1.008 > 49 50 H 0.50000000000000 0.69221665705305 0.25146104769598 1.008 > 49 51 H 0.83333333333333 0.69221665705305 0.25146104769598 1.008 > 49 52 H 0.16666666666667 0.69221665705305 0.75146104769598 1.008 > 49 53 H 0.50000000000000 0.69221665705305 0.75146104769598 1.008 > 49 54 H 0.83333333333333 0.69221665705305 0.75146104769598 1.008 > 49 55 H 0.00000000000000 0.80778334294695 0.24853895230402 1.008 > 55 56 H 0.33333333333333 0.80778334294695 0.24853895230402 1.008 > 55 57 H 0.66666666666667 0.80778334294695 0.24853895230402 1.008 > 55 58 H 0.00000000000000 0.80778334294695 0.74853895230402 1.008 > 55 59 H 0.33333333333333 0.80778334294695 0.74853895230402 1.008 > 55 60 H 0.66666666666667 0.80778334294695 0.74853895230402 1.008 > 55 61 H 0.16666666666667 0.69221665705305 0.49853895230402 1.008 > 61 62 H 0.50000000000000 0.69221665705305 0.49853895230402 1.008 > 61 63 H 0.83333333333333 0.69221665705305 0.49853895230402 1.008 > 61 64 H 0.16666666666667 0.69221665705305 0.99853895230402 1.008 > 61 65 H 0.50000000000000 0.69221665705305 0.99853895230402 1.008 > 61 66 H 0.83333333333333 0.69221665705305 0.99853895230402 1.008 > 61 67 H 0.00000000000000 0.80778334294695 0.00146104769598 1.008 > 67 68 H 0.33333333333333 0.80778334294695 0.00146104769598 1.008 > 67 69 H 0.66666666666667 0.80778334294695 0.00146104769598 1.008 > 67 70 H 0.00000000000000 0.80778334294695 0.50146104769598 1.008 > 67 71 H 0.33333333333333 0.80778334294695 0.50146104769598 1.008 > 67 72 H 0.66666666666667 0.80778334294695 0.50146104769598 1.008 > 67 73 H 0.00000000000000 0.58413312446331 0.37500000000000 1.008 > 73 74 H 0.33333333333333 0.58413312446331 0.37500000000000 1.008 > 73 75 H 0.66666666666667 0.58413312446331 0.37500000000000 1.008 > 73 76 H 0.00000000000000 0.58413312446331 0.87500000000000 1.008 > 73 77 H 0.33333333333333 0.58413312446331 0.87500000000000 1.008 > 73 78 H 0.66666666666667 0.58413312446331 0.87500000000000 1.008 > 73 79 H 0.16666666666667 0.91586687553669 0.12500000000000 1.008 > 79 80 H 0.50000000000000 0.91586687553669 0.12500000000000 1.008 > 79 81 H 0.83333333333333 0.91586687553669 0.12500000000000 1.008 > 79 82 H 0.16666666666667 0.91586687553669 0.62500000000000 1.008 > 79 83 H 0.50000000000000 0.91586687553669 0.62500000000000 1.008 > 79 84 H 0.83333333333333 0.91586687553669 0.62500000000000 1.008 > 79 85 H 0.00000000000000 0.00000000000000 0.25000000000000 1.008 > 85 86 H 0.33333333333333 0.00000000000000 0.25000000000000 1.008 > 85 87 H 0.66666666666667 0.00000000000000 0.25000000000000 1.008 > 85 88 H 0.00000000000000 0.00000000000000 0.75000000000000 1.008 > 85 89 H 0.33333333333333 0.00000000000000 0.75000000000000 1.008 > 85 90 H 0.66666666666667 0.00000000000000 0.75000000000000 1.008 > 85 91 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 91 92 H 0.33333333333333 0.00000000000000 0.00000000000000 1.008 > 91 93 H 0.66666666666667 0.00000000000000 0.00000000000000 1.008 > 91 94 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 91 95 H 0.33333333333333 0.00000000000000 0.50000000000000 1.008 > 91 96 H 0.66666666666667 0.00000000000000 0.50000000000000 1.008 > 91 97 H 0.00000000000000 0.19221665705305 0.25146104769598 1.008 > 49 98 H 0.33333333333333 0.19221665705305 0.25146104769598 1.008 > 49 99 H 0.66666666666667 0.19221665705305 0.25146104769598 1.008 > 49 100 H 0.00000000000000 0.19221665705305 0.75146104769598 1.008 > 49 101 H 0.33333333333333 0.19221665705305 0.75146104769598 1.008 > 49 102 H 0.66666666666667 0.19221665705305 0.75146104769598 1.008 > 49 103 H 0.16666666666667 0.30778334294695 0.24853895230402 1.008 > 55 104 H 0.50000000000000 0.30778334294695 0.24853895230402 1.008 > 55 105 H 0.83333333333333 0.30778334294695 0.24853895230402 1.008 > 55 106 H 0.16666666666667 0.30778334294695 0.74853895230402 1.008 > 55 107 H 0.50000000000000 0.30778334294695 0.74853895230402 1.008 > 55 108 H 0.83333333333333 0.30778334294695 0.74853895230402 1.008 > 55 109 H 0.00000000000000 0.19221665705305 0.49853895230402 1.008 > 61 110 H 0.33333333333333 0.19221665705305 0.49853895230402 1.008 > 61 111 H 0.66666666666667 0.19221665705305 0.49853895230402 1.008 > 61 112 H 0.00000000000000 0.19221665705305 0.99853895230402 1.008 > 61 113 H 0.33333333333333 0.19221665705305 0.99853895230402 1.008 > 61 114 H 0.66666666666667 0.19221665705305 0.99853895230402 1.008 > 61 115 H 0.16666666666667 0.30778334294695 0.00146104769598 1.008 > 67 116 H 0.50000000000000 0.30778334294695 0.00146104769598 1.008 > 67 117 H 0.83333333333333 0.30778334294695 0.00146104769598 1.008 > 67 118 H 0.16666666666667 0.30778334294695 0.50146104769598 1.008 > 67 119 H 0.50000000000000 0.30778334294695 0.50146104769598 1.008 > 67 120 H 0.83333333333333 0.30778334294695 0.50146104769598 1.008 > 67 121 H 0.16666666666667 0.08413312446330 0.37500000000000 1.008 > 73 122 H 0.50000000000000 0.08413312446330 0.37500000000000 1.008 > 73 123 H 0.83333333333333 0.08413312446330 0.37500000000000 1.008 > 73 124 H 0.16666666666667 0.08413312446330 0.87500000000000 1.008 > 73 125 H 0.50000000000000 0.08413312446330 0.87500000000000 1.008 > 73 126 H 0.83333333333333 0.08413312446330 0.87500000000000 1.008 > 73 127 H 0.00000000000000 0.41586687553669 0.12500000000000 1.008 > 79 128 H 0.33333333333333 0.41586687553669 0.12500000000000 1.008 > 79 129 H 0.66666666666667 0.41586687553669 0.12500000000000 1.008 > 79 130 H 0.00000000000000 0.41586687553669 0.62500000000000 1.008 > 79 131 H 0.33333333333333 0.41586687553669 0.62500000000000 1.008 > 79 132 H 0.66666666666667 0.41586687553669 0.62500000000000 1.008 > 79 133 H 0.16666666666667 0.50000000000000 0.25000000000000 1.008 > 85 134 H 0.50000000000000 0.50000000000000 0.25000000000000 1.008 > 85 135 H 0.83333333333333 0.50000000000000 0.25000000000000 1.008 > 85 136 H 0.16666666666667 0.50000000000000 0.75000000000000 1.008 > 85 137 H 0.50000000000000 0.50000000000000 0.75000000000000 1.008 > 85 138 H 0.83333333333333 0.50000000000000 0.75000000000000 1.008 > 85 139 H 0.16666666666667 0.50000000000000 0.00000000000000 1.008 > 91 140 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 91 141 H 0.83333333333333 0.50000000000000 0.00000000000000 1.008 > 91 142 H 0.16666666666667 0.50000000000000 0.50000000000000 1.008 > 91 143 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 > 91 144 H 0.83333333333333 0.50000000000000 0.50000000000000 1.008 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1954196 0.0000000 0.0000000 0.0000000 4.7730318 0.0000000 0.0000000 0.0000000 4.9884368 -------------------------- Born effective charges -------------------------- 1 Ba 2.4281128 0.0000000 0.0000000 0.0000000 2.2908142 0.0000000 0.0000000 0.0000000 2.4850468 2 Ba 2.4281128 0.0000000 0.0000000 0.0000000 2.2908142 0.0000000 0.0000000 0.0000000 2.4850468 3 Mg 1.8700409 0.0000000 0.0000000 0.0000000 1.5943119 0.0000000 0.0000000 0.0000000 1.7499116 4 Mg 1.8700409 0.0000000 0.0000000 0.0000000 1.5943119 0.0000000 0.0000000 0.0000000 1.7499116 5 H -1.0293120 0.0000000 0.0000000 0.0000000 -1.0057860 -0.0555916 0.0000000 -0.1614411 -1.0272735 6 H -1.0293120 0.0000000 0.0000000 0.0000000 -1.0057860 -0.0555916 0.0000000 -0.1614411 -1.0272735 7 H -1.0293120 0.0000000 0.0000000 0.0000000 -1.0057860 0.0555916 0.0000000 0.1614411 -1.0272735 8 H -1.0293120 0.0000000 0.0000000 0.0000000 -1.0057860 0.0555916 0.0000000 0.1614411 -1.0272735 9 H -1.2409183 0.0000000 0.0000000 0.0000000 -0.8205575 0.0000000 0.0000000 0.0000000 -1.0542371 10 H -1.2409183 0.0000000 0.0000000 0.0000000 -0.8205575 0.0000000 0.0000000 0.0000000 -1.0542371 11 H -0.9986113 0.0000000 0.0000000 0.0000000 -1.0529968 -0.0812982 0.0000000 -0.0430731 -1.1261743 12 H -0.9986113 0.0000000 0.0000000 0.0000000 -1.0529968 0.0812982 0.0000000 0.0430731 -1.1261743 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 ... [ 13 13 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.77, Number of G-points: 301, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/245) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.194 ( 0.000 0.000 0.000) 0.000 2.394 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 0.000) 0.000 7.391 ( 0.000 0.000 0.000) 0.000 7.920 ( 0.000 0.000 0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 11.835 ( 0.000 0.000 0.000) 0.000 15.023 ( 0.000 0.000 0.000) 0.000 16.622 ( 0.000 0.000 0.000) 0.000 17.783 ( 0.000 0.000 0.000) 0.000 18.389 ( 0.000 0.000 0.000) 0.000 19.751 ( 0.000 0.000 0.000) 0.000 19.859 ( 0.000 0.000 0.000) 0.000 20.624 ( 0.000 0.000 0.000) 0.000 20.880 ( 0.000 0.000 0.000) 0.000 21.077 ( 0.000 0.000 0.000) 0.000 21.785 ( 0.000 0.000 0.000) 0.000 23.937 ( 0.000 0.000 0.000) 0.000 25.009 ( 0.000 0.000 0.000) 0.000 26.578 ( 0.000 0.000 0.000) 0.000 27.362 ( 0.000 0.000 0.000) 0.000 31.053 ( 0.000 0.000 0.000) 0.000 31.635 ( 0.000 0.000 0.000) 0.000 31.668 ( 0.000 0.000 0.000) 0.000 33.364 ( 0.000 0.000 0.000) 0.000 36.110 ( 0.000 0.000 0.000) 0.000 36.631 ( 0.000 0.000 0.000) 0.000 39.969 ( 0.000 0.000 0.000) 0.000 43.202 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/245) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 21.831 -19.843 0.000) 29.501 0.703 ( 34.324 -4.106 0.000) 34.569 0.915 ( 45.316 -6.389 0.000) 45.764 2.177 ( 19.036 -6.684 0.000) 20.175 2.258 ( 6.766 0.874 0.000) 6.822 2.405 ( 1.772 1.722 0.000) 2.471 2.492 ( -0.304 -1.043 0.000) 1.087 4.648 ( 10.698 4.588 0.000) 11.640 5.023 ( 0.609 -12.417 0.000) 12.432 5.494 ( 14.180 0.084 0.000) 14.181 7.408 ( 2.203 1.059 0.000) 2.444 7.915 ( -0.786 -0.995 0.000) 1.268 8.735 ( 0.356 -4.397 0.000) 4.411 14.750 ( -29.053 -0.365 0.000) 29.055 15.237 ( 23.045 137.216 0.000) 139.138 16.966 ( -27.453 -68.567 0.000) 73.859 17.865 ( 7.806 -1.344 0.000) 7.920 18.466 ( -20.652 -39.953 0.000) 44.975 19.845 ( -0.482 -0.457 0.000) 0.664 19.991 ( 22.736 0.977 0.000) 22.757 20.664 ( 5.482 2.289 0.000) 5.940 21.093 ( 3.729 0.844 0.000) 3.823 21.986 ( 17.599 -2.137 0.000) 17.728 23.977 ( 3.618 -0.529 0.000) 3.656 24.949 ( -6.700 -0.626 0.000) 6.729 26.268 ( 1.752 60.436 0.000) 60.462 26.744 ( 26.447 55.224 0.000) 61.230 27.802 ( -29.258 -83.490 0.000) 88.468 31.012 ( -4.540 -0.699 0.000) 4.593 31.691 ( 1.530 -2.641 0.000) 3.052 32.959 ( 5.595 53.702 0.000) 53.993 33.337 ( -2.488 1.465 0.000) 2.887 36.220 ( -12.209 -33.709 0.000) 35.852 36.711 ( 6.043 -6.220 0.000) 8.673 39.960 ( -0.889 0.353 0.000) 0.957 43.231 ( -3.399 -10.109 0.000) 10.665 ======================= Grid point 2 (3/245) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 18.745 -17.221 0.000) 25.455 1.308 ( 27.943 -4.252 0.000) 28.264 1.719 ( 35.928 -4.252 0.000) 36.179 2.417 ( 10.716 1.453 0.000) 10.815 2.438 ( 3.248 2.809 0.000) 4.294 2.514 ( 2.715 -2.748 0.000) 3.863 2.707 ( 30.541 -10.711 0.000) 32.365 4.894 ( 17.099 1.486 0.000) 17.163 5.142 ( 6.550 -5.427 0.000) 8.506 5.856 ( 23.802 0.243 0.000) 23.803 7.467 ( 5.151 1.542 0.000) 5.377 7.908 ( -0.665 -2.197 0.000) 2.295 8.781 ( 0.730 -8.075 0.000) 8.108 13.982 ( -51.895 -0.119 0.000) 51.895 14.733 ( -19.920 45.326 0.000) 49.510 16.890 ( -8.392 -26.337 0.000) 27.641 18.050 ( 9.851 -1.674 0.000) 9.992 18.286 ( -13.375 -9.127 0.000) 16.193 19.898 ( 6.151 -2.741 0.000) 6.734 20.465 ( 28.805 8.511 0.000) 30.036 20.826 ( 13.975 2.587 0.000) 14.212 21.233 ( 12.271 3.878 0.000) 12.869 22.355 ( 18.468 -3.757 0.000) 18.846 24.049 ( 3.292 0.508 0.000) 3.331 24.765 ( -13.556 -1.104 0.000) 13.601 25.905 ( -15.358 22.031 0.000) 26.855 26.919 ( 16.721 23.667 0.000) 28.978 27.721 ( -15.025 -35.254 0.000) 38.322 30.897 ( -8.070 -0.917 0.000) 8.122 31.751 ( 2.501 -4.661 0.000) 5.290 32.688 ( -8.737 28.070 0.000) 29.398 33.257 ( -4.625 2.796 0.000) 5.405 36.178 ( -6.366 -12.596 0.000) 14.113 36.897 ( 8.947 -7.450 0.000) 11.643 39.932 ( -1.709 0.732 0.000) 1.860 43.222 ( -2.213 -4.850 0.000) 5.330 ======================= Grid point 3 (4/245) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 14.799 -13.595 0.000) 20.096 1.798 ( 22.352 -3.364 0.000) 22.604 2.173 ( 9.902 0.709 0.000) 9.927 2.492 ( 4.139 2.527 0.000) 4.849 2.656 ( 9.844 -1.874 0.000) 10.021 2.709 ( 22.486 -3.203 0.000) 22.713 3.372 ( 32.322 -11.793 0.000) 34.406 5.241 ( 19.287 0.384 0.000) 19.291 5.323 ( 10.574 -3.050 0.000) 11.005 6.336 ( 26.761 0.417 0.000) 26.764 7.588 ( 8.643 1.187 0.000) 8.724 7.927 ( 1.325 -3.614 0.000) 3.849 8.853 ( 1.230 -10.446 0.000) 10.518 12.894 ( -62.693 -0.061 0.000) 62.693 14.042 ( -33.624 16.390 0.000) 37.406 16.966 ( 3.245 -15.842 0.000) 16.171 18.078 ( -11.874 -1.331 0.000) 11.948 18.211 ( 6.071 -0.767 0.000) 6.120 20.115 ( 14.738 -4.147 0.000) 15.311 20.919 ( 26.143 14.143 0.000) 29.724 21.163 ( 23.061 1.387 0.000) 23.103 21.473 ( 15.972 7.195 0.000) 17.517 22.683 ( 13.529 -5.228 0.000) 14.504 24.069 ( -0.450 2.960 0.000) 2.994 24.457 ( -20.227 -1.429 0.000) 20.277 25.456 ( -22.302 10.835 0.000) 24.795 27.104 ( 12.607 7.157 0.000) 14.497 27.664 ( -7.127 -18.207 0.000) 19.552 30.730 ( -10.016 -0.539 0.000) 10.030 31.830 ( 2.719 -5.656 0.000) 6.275 32.345 ( -12.839 19.134 0.000) 23.042 33.138 ( -6.004 3.780 0.000) 7.094 36.127 ( -4.770 -6.050 0.000) 7.704 37.109 ( 8.940 -6.887 0.000) 11.285 39.889 ( -2.295 1.067 0.000) 2.531 43.204 ( -2.088 -2.903 0.000) 3.576 ======================= Grid point 4 (5/245) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 10.922 -9.761 0.000) 14.649 2.176 ( 16.768 -1.078 0.000) 16.803 2.231 ( 0.126 1.128 0.000) 1.135 2.562 ( 4.265 0.743 0.000) 4.329 2.854 ( 9.859 -0.891 0.000) 9.899 3.173 ( 22.196 -3.415 0.000) 22.457 3.999 ( 27.131 -10.259 0.000) 29.005 5.494 ( 9.640 -1.096 0.000) 9.703 5.643 ( 19.395 -0.568 0.000) 19.404 6.811 ( 23.577 0.509 0.000) 23.582 7.770 ( 10.984 0.323 0.000) 10.989 8.015 ( 6.006 -4.911 0.000) 7.758 8.943 ( 1.713 -10.818 0.000) 10.953 11.722 ( -61.254 -0.155 0.000) 61.254 13.342 ( -33.477 6.181 0.000) 34.043 17.166 ( 8.386 -13.379 0.000) 15.790 17.870 ( -10.178 0.903 0.000) 10.218 18.282 ( 1.742 0.459 0.000) 1.801 20.476 ( 20.618 -4.596 0.000) 21.124 21.268 ( 20.358 15.646 0.000) 25.676 21.633 ( 26.427 0.361 0.000) 26.430 21.720 ( 15.357 9.949 0.000) 18.298 22.913 ( 7.551 -6.424 0.000) 9.914 24.004 ( -3.465 5.299 0.000) 6.332 24.036 ( -25.480 -1.724 0.000) 25.538 24.975 ( -23.768 4.696 0.000) 24.227 27.302 ( 9.966 -1.581 0.000) 10.090 27.665 ( -1.609 -9.881 0.000) 10.011 30.541 ( -10.072 0.116 0.000) 10.073 31.911 ( 2.379 -5.492 0.000) 5.985 32.016 ( -11.974 13.527 0.000) 18.065 32.999 ( -6.189 4.102 0.000) 7.425 36.072 ( -3.843 -3.011 0.000) 4.883 37.297 ( 7.210 -5.656 0.000) 9.164 39.838 ( -2.401 1.192 0.000) 2.680 43.178 ( -1.989 -1.735 0.000) 2.639 ======================= Grid point 5 (6/245) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 7.385 -6.166 0.000) 9.621 2.210 ( -1.470 0.869 0.000) 1.708 2.429 ( 10.400 1.616 0.000) 10.525 2.637 ( 3.340 -1.675 0.000) 3.737 3.018 ( 6.964 -0.560 0.000) 6.987 3.531 ( 14.180 -2.022 0.000) 14.323 4.470 ( 17.675 -6.692 0.000) 18.899 5.653 ( 6.719 -0.494 0.000) 6.737 5.970 ( 14.572 -0.287 0.000) 14.575 7.182 ( 15.953 0.399 0.000) 15.958 7.971 ( 9.840 -0.297 0.000) 9.844 8.217 ( 12.418 -5.171 0.000) 13.452 9.032 ( 1.650 -8.414 0.000) 8.575 10.671 ( -49.911 0.321 0.000) 49.912 12.763 ( -24.940 2.479 0.000) 25.063 17.387 ( 7.238 -8.491 0.000) 11.157 17.709 ( -6.268 -0.544 0.000) 6.291 18.288 ( -0.160 0.947 0.000) 0.960 20.899 ( 20.474 -4.883 0.000) 21.048 21.502 ( 13.468 12.336 0.000) 18.264 21.925 ( 13.596 11.481 0.000) 17.796 22.093 ( 21.466 0.152 0.000) 21.467 23.035 ( 1.549 -6.681 0.000) 6.859 23.553 ( -26.240 -1.813 0.000) 26.303 23.899 ( -3.748 6.172 0.000) 7.221 24.554 ( -18.819 0.138 0.000) 18.819 27.479 ( 6.801 -4.218 0.000) 8.003 27.704 ( 0.866 -4.842 0.000) 4.919 30.368 ( -7.811 0.515 0.000) 7.828 31.761 ( -8.246 8.414 0.000) 11.781 31.978 ( 1.707 -4.147 0.000) 4.485 32.872 ( -4.827 3.385 0.000) 5.896 36.023 ( -2.614 -1.368 0.000) 2.950 37.435 ( 4.612 -3.803 0.000) 5.977 39.791 ( -1.847 0.956 0.000) 2.079 43.152 ( -1.507 -0.903 0.000) 1.757 ======================= Grid point 6 (7/245) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 4.019 -2.929 0.000) 4.973 2.170 ( -2.097 1.125 0.000) 2.380 2.547 ( 3.442 1.431 0.000) 3.728 2.693 ( 1.352 -1.423 0.000) 1.963 3.110 ( 2.502 -0.205 0.000) 2.510 3.717 ( 4.829 -0.650 0.000) 4.873 4.719 ( 6.082 -2.272 0.000) 6.493 5.741 ( 2.433 -0.117 0.000) 2.436 6.163 ( 5.448 -0.088 0.000) 5.448 7.385 ( 5.630 0.143 0.000) 5.632 8.109 ( 4.086 -0.226 0.000) 4.092 8.490 ( 11.099 -2.806 0.000) 11.448 9.088 ( 0.638 -3.195 0.000) 3.258 9.941 ( -24.184 0.737 0.000) 24.195 12.425 ( -9.436 0.728 0.000) 9.464 17.486 ( 0.943 -0.568 0.000) 1.101 17.666 ( -0.225 -2.851 0.000) 2.860 18.278 ( -0.238 0.458 0.000) 0.517 21.221 ( 9.303 -2.878 0.000) 9.738 21.627 ( 4.958 4.711 0.000) 6.839 22.097 ( 9.737 7.851 0.000) 12.508 22.373 ( 6.978 -0.917 0.000) 7.038 23.057 ( -2.167 -5.208 0.000) 5.641 23.159 ( -12.935 0.539 0.000) 12.946 23.814 ( -1.835 3.176 0.000) 3.668 24.309 ( -7.103 -1.023 0.000) 7.176 27.587 ( 2.453 -2.178 0.000) 3.280 27.738 ( 0.675 -1.304 0.000) 1.468 30.261 ( -3.020 0.292 0.000) 3.034 31.623 ( -2.926 2.899 0.000) 4.119 32.017 ( 0.658 -1.596 0.000) 1.726 32.793 ( -1.869 1.366 0.000) 2.315 35.994 ( -0.934 -0.388 0.000) 1.012 37.508 ( 1.584 -1.353 0.000) 2.083 39.763 ( -0.696 0.368 0.000) 0.787 43.136 ( -0.569 -0.275 0.000) 0.632 ======================= Grid point 14 (8/245) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 22.143 -0.000 0.000) 22.143 1.283 ( 28.603 -0.000 0.000) 28.603 1.696 ( 37.726 -0.000 0.000) 37.726 2.427 ( 10.606 -0.000 0.000) 10.606 2.455 ( 2.956 -0.000 0.000) 2.956 2.497 ( 2.216 -0.000 0.000) 2.216 2.642 ( 31.188 -0.000 0.000) 31.188 4.907 ( 16.422 -0.000 0.000) 16.422 5.106 ( 8.338 -0.000 0.000) 8.338 5.858 ( 23.816 -0.000 0.000) 23.816 7.476 ( 4.958 -0.000 0.000) 4.958 7.895 ( -0.772 0.000 0.000) 0.772 8.735 ( 0.939 -0.000 0.000) 0.939 13.981 ( -51.795 0.000 0.000) 51.795 15.041 ( -44.219 0.000 0.000) 44.219 16.696 ( 4.539 -0.000 0.000) 4.539 18.040 ( 10.205 -0.000 0.000) 10.205 18.233 ( -7.696 0.000 0.000) 7.696 19.883 ( 5.903 -0.000 0.000) 5.903 20.514 ( 29.791 -0.000 0.000) 29.791 20.841 ( 13.396 -0.000 0.000) 13.396 21.255 ( 12.763 -0.000 0.000) 12.763 22.333 ( 18.530 -0.000 0.000) 18.530 24.052 ( 3.847 -0.000 0.000) 3.847 24.759 ( -13.517 0.000 0.000) 13.517 26.032 ( -23.190 0.000 0.000) 23.190 27.250 ( -4.086 0.000 0.000) 4.086 27.330 ( 7.810 -0.000 0.000) 7.810 30.891 ( -7.967 0.000 0.000) 7.967 31.724 ( 2.714 -0.000 0.000) 2.714 32.870 ( -16.847 0.000 0.000) 16.847 33.273 ( -4.680 0.000 0.000) 4.680 36.088 ( -1.221 0.000 0.000) 1.221 36.855 ( 9.967 -0.000 0.000) 9.967 39.936 ( -1.697 0.000 0.000) 1.697 43.192 ( -0.624 0.000 0.000) 0.624 ======================= Grid point 15 (9/245) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 18.013 -5.456 0.000) 18.821 1.770 ( 23.402 -1.265 0.000) 23.436 2.181 ( 11.096 0.421 0.000) 11.104 2.512 ( 3.429 0.968 0.000) 3.563 2.639 ( 11.194 -0.892 0.000) 11.229 2.685 ( 20.952 -1.022 0.000) 20.977 3.274 ( 33.545 -4.727 0.000) 33.876 5.251 ( 19.551 1.089 0.000) 19.582 5.291 ( 10.988 -2.213 0.000) 11.208 6.340 ( 26.788 0.144 0.000) 26.789 7.597 ( 8.206 0.452 0.000) 8.218 7.898 ( 1.098 -1.331 0.000) 1.726 8.771 ( 1.847 -3.702 0.000) 4.137 12.893 ( -62.744 -0.027 0.000) 62.744 14.180 ( -43.120 6.716 0.000) 43.640 16.832 ( 7.367 -6.507 0.000) 9.830 18.071 ( -9.762 -0.244 0.000) 9.765 18.205 ( 6.705 -0.272 0.000) 6.711 20.083 ( 15.008 -1.392 0.000) 15.072 21.028 ( 25.838 4.863 0.000) 26.292 21.175 ( 22.351 0.543 0.000) 22.357 21.529 ( 16.352 2.496 0.000) 16.542 22.641 ( 13.514 -1.917 0.000) 13.649 24.093 ( 0.458 1.167 0.000) 1.253 24.446 ( -20.182 -0.513 0.000) 20.189 25.546 ( -26.576 4.329 0.000) 26.927 27.180 ( 1.961 4.941 0.000) 5.315 27.500 ( 4.174 -9.112 0.000) 10.023 30.724 ( -9.872 -0.397 0.000) 9.880 31.787 ( 3.262 -1.959 0.000) 3.805 32.511 ( -17.717 8.247 0.000) 19.543 33.167 ( -6.209 1.278 0.000) 6.339 36.069 ( -2.261 -3.212 0.000) 3.928 37.054 ( 10.120 -2.445 0.000) 10.411 39.898 ( -2.310 0.383 0.000) 2.341 43.180 ( -1.128 -1.135 0.000) 1.600 ======================= Grid point 16 (10/245) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 13.625 -5.814 0.000) 14.813 2.166 ( 18.199 -0.707 0.000) 18.212 2.243 ( -0.136 0.798 0.000) 0.810 2.569 ( 3.065 0.529 0.000) 3.110 2.845 ( 10.051 -0.652 0.000) 10.072 3.142 ( 23.146 -1.875 0.000) 23.222 3.900 ( 29.124 -6.516 0.000) 29.844 5.482 ( 9.875 -0.839 0.000) 9.911 5.638 ( 19.702 -0.341 0.000) 19.705 6.816 ( 23.578 0.327 0.000) 23.580 7.773 ( 10.522 0.195 0.000) 10.524 7.970 ( 5.850 -2.881 0.000) 6.521 8.845 ( 3.044 -6.002 0.000) 6.730 11.721 ( -61.175 -0.078 0.000) 61.175 13.399 ( -36.942 3.547 0.000) 37.112 17.043 ( 10.681 -7.709 0.000) 13.172 17.883 ( -9.684 1.057 0.000) 9.742 18.286 ( 2.193 0.273 0.000) 2.210 20.437 ( 20.983 -2.302 0.000) 21.109 21.404 ( 18.251 8.072 0.000) 19.957 21.637 ( 26.111 0.279 0.000) 26.113 21.808 ( 15.614 5.374 0.000) 16.513 22.854 ( 7.638 -3.686 0.000) 8.481 24.020 ( -25.488 -0.974 0.000) 25.507 24.057 ( -2.522 3.539 0.000) 4.346 25.020 ( -26.911 2.959 0.000) 27.073 27.243 ( 3.605 -6.449 0.000) 7.388 27.617 ( 6.031 -0.323 0.000) 6.040 30.537 ( -10.146 -0.534 0.000) 10.160 31.863 ( 3.278 -2.908 0.000) 4.382 32.149 ( -15.332 8.875 0.000) 17.715 33.035 ( -6.686 2.106 0.000) 7.010 36.039 ( -2.583 -2.443 0.000) 3.555 37.246 ( 8.438 -3.161 0.000) 9.010 39.849 ( -2.519 0.668 0.000) 2.606 43.162 ( -1.367 -1.021 0.000) 1.706 ======================= Grid point 17 (11/245) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 9.586 -4.374 0.000) 10.537 2.219 ( -1.485 0.758 0.000) 1.667 2.446 ( 11.743 1.389 0.000) 11.825 2.619 ( 2.078 -1.424 0.000) 2.519 3.010 ( 7.028 -0.697 0.000) 7.063 3.512 ( 15.160 -1.213 0.000) 15.209 4.400 ( 20.283 -5.217 0.000) 20.943 5.646 ( 6.969 -0.588 0.000) 6.994 5.967 ( 14.701 -0.209 0.000) 14.703 7.187 ( 15.890 0.412 0.000) 15.895 7.968 ( 9.665 -0.251 0.000) 9.668 8.164 ( 12.919 -3.927 0.000) 13.502 8.948 ( 4.047 -6.013 0.000) 7.248 10.675 ( -49.479 0.273 0.000) 49.479 12.788 ( -26.243 1.750 0.000) 26.302 17.295 ( 10.991 -6.856 0.000) 12.954 17.715 ( -7.090 1.047 0.000) 7.167 18.298 ( -0.194 0.720 0.000) 0.745 20.855 ( 20.996 -2.920 0.000) 21.198 21.616 ( 9.293 7.450 0.000) 11.911 22.034 ( 13.803 7.272 0.000) 15.601 22.097 ( 20.529 0.646 0.000) 20.539 22.968 ( 2.077 -4.823 0.000) 5.251 23.535 ( -25.881 -1.277 0.000) 25.912 23.976 ( -2.716 6.690 0.000) 7.220 24.547 ( -21.827 -1.077 0.000) 21.854 27.361 ( 2.859 -11.745 0.000) 12.088 27.732 ( 7.614 5.336 0.000) 9.298 30.364 ( -8.396 -0.878 0.000) 8.442 31.854 ( -11.071 7.199 0.000) 13.206 31.938 ( 3.009 -2.700 0.000) 4.043 32.903 ( -5.792 2.122 0.000) 6.168 36.006 ( -1.967 -1.465 0.000) 2.453 37.398 ( 5.999 -2.623 0.000) 6.547 39.800 ( -2.124 0.673 0.000) 2.228 43.143 ( -1.081 -0.655 0.000) 1.264 ======================= Grid point 18 (12/245) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 5.943 -2.331 0.000) 6.384 2.183 ( -1.836 1.120 0.000) 2.151 2.565 ( 1.833 1.599 0.000) 2.432 2.676 ( 2.947 -1.614 0.000) 3.360 3.105 ( 2.599 -0.561 0.000) 2.659 3.712 ( 5.729 -0.180 0.000) 5.732 4.695 ( 8.836 -1.866 0.000) 9.031 5.739 ( 2.533 -0.298 0.000) 2.551 6.162 ( 5.549 -0.081 0.000) 5.549 7.387 ( 5.539 0.317 0.000) 5.548 8.106 ( 4.262 -0.286 0.000) 4.272 8.458 ( 13.510 -2.777 0.000) 13.792 9.052 ( 4.077 -2.969 0.000) 5.044 9.950 ( -24.507 0.715 0.000) 24.518 12.433 ( -10.234 0.706 0.000) 10.259 17.472 ( 3.293 -1.704 0.000) 3.708 17.647 ( 1.337 -0.678 0.000) 1.500 18.284 ( -0.679 0.484 0.000) 0.834 21.192 ( 11.856 -2.056 0.000) 12.033 21.666 ( -0.939 2.163 0.000) 2.358 22.175 ( 2.177 5.521 0.000) 5.935 22.365 ( 7.766 -0.382 0.000) 7.775 23.003 ( 0.158 -4.148 0.000) 4.151 23.167 ( -10.257 0.768 0.000) 10.285 23.878 ( -3.203 7.775 0.000) 8.409 24.278 ( -7.634 -4.434 0.000) 8.828 27.462 ( -0.023 -12.957 0.000) 12.957 27.829 ( 7.287 10.521 0.000) 12.798 30.251 ( -4.151 -1.807 0.000) 4.527 31.664 ( -5.702 3.915 0.000) 6.917 32.001 ( 2.447 -1.158 0.000) 2.707 32.806 ( -3.406 0.909 0.000) 3.526 35.987 ( -0.573 -0.722 0.000) 0.922 37.495 ( 3.169 -1.005 0.000) 3.325 39.766 ( -1.108 0.301 0.000) 1.148 43.133 ( -0.244 -0.235 0.000) 0.339 ======================= Grid point 19 (13/245) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -1.376 2.644 0.000) 2.981 2.159 ( 1.745 -0.629 0.000) 1.855 2.533 ( -4.549 -1.095 0.000) 4.679 2.708 ( -0.246 1.064 0.000) 1.092 3.110 ( -2.400 -0.252 0.000) 2.413 3.727 ( -3.892 1.039 0.000) 4.029 4.745 ( -3.407 2.180 0.000) 4.045 5.741 ( -2.383 -0.137 0.000) 2.387 6.164 ( -5.340 0.072 0.000) 5.341 7.384 ( -5.727 0.104 0.000) 5.727 8.111 ( -3.884 0.094 0.000) 3.885 8.519 ( -8.420 2.104 0.000) 8.679 9.122 ( 3.081 2.612 0.000) 4.039 9.933 ( 23.771 -0.570 0.000) 23.778 12.417 ( 8.537 -0.565 0.000) 8.556 17.484 ( -0.315 -0.726 0.000) 0.792 17.710 ( 4.000 4.578 0.000) 6.079 18.274 ( -0.246 -0.305 0.000) 0.392 21.257 ( -5.720 3.324 0.000) 6.616 21.561 ( -11.294 -6.578 0.000) 13.070 22.003 ( -16.544 -8.287 0.000) 18.504 22.384 ( -7.613 0.825 0.000) 7.658 23.116 ( 5.050 4.833 0.000) 6.990 23.156 ( 14.738 0.139 0.000) 14.738 23.807 ( -0.454 1.747 0.000) 1.805 24.302 ( 7.293 -1.986 0.000) 7.559 27.495 ( -4.163 -11.496 0.000) 12.227 27.873 ( 5.359 15.471 0.000) 16.372 30.242 ( 1.832 -2.962 0.000) 3.482 31.602 ( 0.065 -0.816 0.000) 0.819 32.037 ( 1.372 1.736 0.000) 2.213 32.776 ( 0.108 -1.590 0.000) 1.594 35.996 ( 1.252 -0.089 0.000) 1.256 37.524 ( 0.087 1.405 0.000) 1.408 39.758 ( 0.257 -0.352 0.000) 0.436 43.139 ( 0.911 0.251 0.000) 0.945 ======================= Grid point 20 (14/245) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -4.950 6.537 0.000) 8.199 2.201 ( 1.498 -0.719 0.000) 1.661 2.411 ( -9.425 -1.446 0.000) 9.535 2.656 ( -4.199 1.518 0.000) 4.465 3.022 ( -6.851 0.142 0.000) 6.852 3.557 ( -13.064 2.531 0.000) 13.307 4.546 ( -15.119 6.395 0.000) 16.416 5.656 ( -6.561 0.079 0.000) 6.562 5.973 ( -14.418 0.295 0.000) 14.421 7.179 ( -16.053 -0.184 0.000) 16.054 7.974 ( -10.006 0.241 0.000) 10.009 8.276 ( -11.764 5.040 0.000) 12.798 9.132 ( 1.451 8.777 0.000) 8.896 10.668 ( 50.420 -0.254 0.000) 50.420 12.734 ( 23.279 -2.649 0.000) 23.429 17.466 ( -2.203 4.312 0.000) 4.842 17.747 ( 5.258 6.700 0.000) 8.517 18.277 ( 0.089 -0.917 0.000) 0.921 20.966 ( -19.653 6.864 0.000) 20.818 21.340 ( -18.730 -15.699 0.000) 24.439 21.780 ( -14.375 -13.719 0.000) 19.871 22.092 ( -21.682 -0.009 0.000) 21.682 23.115 ( -0.929 6.979 0.000) 7.040 23.575 ( 26.594 1.985 0.000) 26.668 23.844 ( 3.374 -3.305 0.000) 4.723 24.543 ( 16.805 -1.612 0.000) 16.882 27.433 ( -8.707 -8.526 0.000) 12.186 27.861 ( 4.203 18.610 0.000) 19.079 30.347 ( 7.139 -3.309 0.000) 7.869 31.674 ( 5.250 -6.538 0.000) 8.385 32.030 ( 0.065 4.997 0.000) 4.997 32.828 ( 3.467 -4.257 0.000) 5.490 36.035 ( 3.110 0.709 0.000) 3.190 37.481 ( -2.985 4.123 0.000) 5.090 39.779 ( 1.509 -1.025 0.000) 1.824 43.163 ( 2.000 0.933 0.000) 2.207 ======================= Grid point 21 (15/245) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -7.794 11.049 0.000) 13.521 2.189 ( -14.789 1.070 0.000) 14.828 2.219 ( -0.343 -1.023 0.000) 1.079 2.553 ( -5.938 -0.654 0.000) 5.974 2.863 ( -9.487 0.755 0.000) 9.517 3.218 ( -20.988 4.319 0.000) 21.428 4.120 ( -24.912 10.555 0.000) 27.056 5.504 ( -9.371 0.662 0.000) 9.394 5.650 ( -19.093 0.608 0.000) 19.103 6.805 ( -23.638 -0.471 0.000) 23.642 7.766 ( -11.576 -0.360 0.000) 11.581 8.077 ( -6.174 5.589 0.000) 8.327 9.083 ( 0.312 13.287 0.000) 13.290 11.724 ( 61.329 0.216 0.000) 61.329 13.264 ( 29.041 -7.324 0.000) 29.950 17.330 ( -5.415 14.325 0.000) 15.315 17.875 ( 10.995 2.477 0.000) 11.271 18.276 ( -1.120 -0.511 0.000) 1.231 20.541 ( -20.052 6.854 0.000) 21.191 21.053 ( -23.463 -21.640 0.000) 31.919 21.586 ( -15.443 -13.140 0.000) 20.277 21.630 ( -26.488 -0.275 0.000) 26.490 22.995 ( -7.444 7.602 0.000) 10.640 23.945 ( 4.192 -4.829 0.000) 6.395 24.058 ( 25.482 2.096 0.000) 25.568 24.917 ( 20.247 -5.210 0.000) 20.907 27.270 ( -13.019 -5.955 0.000) 14.317 27.842 ( 6.199 19.576 0.000) 20.534 30.528 ( 9.984 -2.443 0.000) 10.278 31.861 ( 8.477 -12.808 0.000) 15.359 31.985 ( -0.988 7.424 0.000) 7.490 32.942 ( 5.371 -5.802 0.000) 7.906 36.101 ( 4.767 2.011 0.000) 5.174 37.369 ( -5.575 6.765 0.000) 8.767 39.822 ( 2.231 -1.453 0.000) 2.662 43.200 ( 2.772 1.979 0.000) 3.406 ======================= Grid point 22 (16/245) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -10.873 16.312 0.000) 19.604 1.844 ( -20.455 4.626 0.000) 20.972 2.168 ( -7.700 -0.230 0.000) 7.703 2.457 ( -5.476 -3.517 0.000) 6.509 2.679 ( -8.813 2.061 0.000) 9.051 2.756 ( -23.569 5.008 0.000) 24.095 3.524 ( -30.624 13.993 0.000) 33.669 5.243 ( -19.482 0.575 0.000) 19.491 5.354 ( -9.503 2.107 0.000) 9.734 6.330 ( -26.773 -0.607 0.000) 26.780 7.572 ( -9.351 -1.524 0.000) 9.475 7.977 ( -1.707 4.894 0.000) 5.183 9.001 ( -0.102 15.134 0.000) 15.134 12.894 ( 62.585 0.052 0.000) 62.585 13.833 ( 21.676 -19.301 0.000) 29.024 17.166 ( -0.367 18.247 0.000) 18.251 18.108 ( 15.807 4.236 0.000) 16.365 18.222 ( -4.938 1.111 0.000) 5.062 20.178 ( -14.241 6.809 0.000) 15.785 20.711 ( -26.538 -21.993 0.000) 34.467 21.145 ( -24.253 -1.721 0.000) 24.314 21.368 ( -15.368 -11.045 0.000) 18.925 22.755 ( -13.597 7.184 0.000) 15.378 24.030 ( 1.857 -3.526 0.000) 3.985 24.477 ( 20.308 2.037 0.000) 20.410 25.316 ( 15.592 -13.077 0.000) 20.350 27.026 ( -16.472 -6.396 0.000) 17.670 27.893 ( 12.399 21.317 0.000) 24.660 30.730 ( 10.220 -0.944 0.000) 10.263 31.913 ( -1.701 8.709 0.000) 8.874 32.113 ( 7.791 -19.989 0.000) 21.454 33.081 ( 5.589 -6.093 0.000) 8.268 36.188 ( 6.500 4.213 0.000) 7.746 37.204 ( -6.940 9.403 0.000) 11.687 39.874 ( 2.267 -1.523 0.000) 2.731 43.242 ( 3.397 3.584 0.000) 4.938 ======================= Grid point 23 (17/245) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -14.009 21.992 0.000) 26.075 1.375 ( -26.119 7.425 0.000) 27.154 1.797 ( -29.767 9.583 0.000) 31.272 2.393 ( -3.958 -5.033 0.000) 6.403 2.399 ( -12.514 -1.579 0.000) 12.613 2.552 ( -2.920 3.664 0.000) 4.685 2.866 ( -29.261 16.038 0.000) 33.368 4.884 ( -17.658 -0.119 0.000) 17.659 5.206 ( -4.042 4.963 0.000) 6.401 5.852 ( -23.799 -0.561 0.000) 23.805 7.444 ( -5.566 -2.424 0.000) 6.071 7.943 ( 0.374 3.774 0.000) 3.792 8.913 ( -0.165 14.618 0.000) 14.619 13.983 ( 52.172 0.176 0.000) 52.172 14.180 ( -8.762 -47.201 0.000) 48.007 17.166 ( 12.784 20.000 0.000) 23.736 18.077 ( -8.839 3.041 0.000) 9.348 18.429 ( 25.971 15.116 0.000) 30.050 19.944 ( -6.934 5.321 0.000) 8.740 20.324 ( -25.898 -15.917 0.000) 30.398 20.786 ( -15.520 -4.263 0.000) 16.095 21.168 ( -10.830 -7.374 0.000) 13.102 22.415 ( -18.365 6.383 0.000) 19.443 24.042 ( -1.841 -0.718 0.000) 1.977 24.783 ( 13.661 1.965 0.000) 13.801 25.575 ( -4.999 -32.513 0.000) 32.895 26.755 ( -15.275 -6.742 0.000) 16.697 28.079 ( 22.888 27.345 0.000) 35.660 30.906 ( 8.200 0.323 0.000) 8.207 31.828 ( -1.888 8.787 0.000) 8.987 32.337 ( -0.750 -29.929 0.000) 29.938 33.210 ( 4.457 -5.490 0.000) 7.071 36.302 ( 9.674 7.587 0.000) 12.295 37.018 ( -5.524 12.968 0.000) 14.095 39.920 ( 1.742 -1.313 0.000) 2.182 43.288 ( 4.821 6.246 0.000) 7.890 ======================= Grid point 24 (18/245) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -30.589 10.642 0.000) 32.387 0.825 ( -19.532 23.511 0.000) 30.566 1.086 ( -31.468 25.417 0.000) 40.451 2.236 ( -6.989 -2.975 0.000) 7.596 2.314 ( -18.200 16.267 0.000) 24.410 2.366 ( -2.090 -5.062 0.000) 5.476 2.515 ( 0.064 2.770 0.000) 2.771 4.607 ( -12.411 -1.579 0.000) 12.511 5.183 ( 8.946 11.792 0.000) 14.801 5.492 ( -14.085 -0.330 0.000) 14.089 7.388 ( -2.069 -2.250 0.000) 3.057 7.936 ( 0.663 2.700 0.000) 2.780 8.832 ( -0.146 12.344 0.000) 12.344 13.818 ( -85.249 -96.505 0.000) 128.766 14.758 ( 29.499 1.001 0.000) 29.516 17.374 ( 16.919 13.536 0.000) 21.667 17.895 ( -7.375 3.825 0.000) 8.308 19.038 ( 63.859 42.661 0.000) 76.798 19.855 ( -1.067 1.292 0.000) 1.676 19.979 ( -12.996 -0.358 0.000) 13.001 20.615 ( -6.376 -6.008 0.000) 8.761 21.074 ( -2.172 -2.408 0.000) 3.243 22.031 ( -17.396 5.574 0.000) 18.267 23.988 ( -2.913 1.453 0.000) 3.255 24.963 ( 6.753 1.735 0.000) 6.972 25.273 ( -71.260 -77.710 0.000) 105.436 26.602 ( -2.190 1.179 0.000) 2.487 28.474 ( 42.021 37.952 0.000) 56.623 31.021 ( 4.198 0.549 0.000) 4.233 31.750 ( -1.299 7.615 0.000) 7.725 32.318 ( -29.461 -44.757 0.000) 53.583 33.303 ( 2.443 -4.352 0.000) 4.991 36.484 ( 14.524 7.343 0.000) 16.275 36.897 ( 6.476 22.372 0.000) 23.290 39.952 ( 0.914 -0.988 0.000) 1.346 43.371 ( 10.755 11.203 0.000) 15.530 ======================= Grid point 25 (19/245) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.254 ( 0.000 22.217 0.000) 22.217 0.302 ( 0.000 26.209 0.000) 26.209 0.558 ( 0.000 48.340 0.000) 48.340 2.052 ( 0.000 13.083 0.000) 13.083 2.181 ( -0.000 -2.280 0.000) 2.280 2.373 ( -0.000 -3.663 0.000) 3.663 2.504 ( 0.000 1.814 0.000) 1.814 4.449 ( 0.000 1.615 0.000) 1.615 5.355 ( -0.000 -0.526 0.000) 0.526 5.532 ( -0.000 -3.627 0.000) 3.627 7.386 ( -0.000 -0.931 0.000) 0.931 7.930 ( 0.000 1.811 0.000) 1.811 8.770 ( 0.000 8.760 0.000) 8.760 11.851 ( 0.000 2.666 0.000) 2.666 15.030 ( 0.000 1.168 0.000) 1.168 17.532 ( -0.000 -0.865 0.000) 0.865 17.800 ( 0.000 2.998 0.000) 2.998 19.710 ( -0.000 -7.150 0.000) 7.150 19.855 ( -0.000 -0.767 0.000) 0.767 20.593 ( -0.000 -5.159 0.000) 5.159 20.860 ( -0.000 -3.356 0.000) 3.356 21.077 ( -0.000 -0.066 0.000) 0.066 21.810 ( 0.000 4.271 0.000) 4.271 23.454 ( 0.000 0.880 0.000) 0.880 23.947 ( 0.000 1.634 0.000) 1.634 25.017 ( 0.000 1.263 0.000) 1.263 26.592 ( 0.000 2.379 0.000) 2.379 29.207 ( -0.000 -0.951 0.000) 0.951 31.047 ( -0.000 -0.914 0.000) 0.914 31.647 ( 0.000 2.061 0.000) 2.061 31.699 ( 0.000 5.397 0.000) 5.397 33.347 ( -0.000 -2.955 0.000) 2.955 36.618 ( -0.000 -2.254 0.000) 2.254 37.165 ( 0.000 2.346 0.000) 2.346 39.965 ( -0.000 -0.666 0.000) 0.666 43.594 ( -0.000 -0.002 0.000) 0.002 ======================= Grid point 28 (20/245) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 14.722 -0.000 0.000) 14.722 2.161 ( 18.725 -0.000 0.000) 18.725 2.247 ( -0.264 0.000 0.000) 0.264 2.572 ( 2.622 -0.000 0.000) 2.622 2.841 ( 10.109 -0.000 0.000) 10.109 3.131 ( 23.517 -0.000 0.000) 23.517 3.861 ( 29.948 -0.000 0.000) 29.948 5.477 ( 9.975 -0.000 0.000) 9.975 5.636 ( 19.827 -0.000 0.000) 19.827 6.818 ( 23.588 -0.000 0.000) 23.588 7.774 ( 10.347 -0.000 0.000) 10.347 7.953 ( 5.784 -0.000 0.000) 5.784 8.810 ( 3.502 -0.000 0.000) 3.502 11.720 ( -61.142 0.000 0.000) 61.142 13.420 ( -38.269 0.000 0.000) 38.269 16.998 ( 11.585 -0.000 0.000) 11.585 17.890 ( -9.535 0.000 0.000) 9.535 18.288 ( 2.358 -0.000 0.000) 2.358 20.424 ( 21.108 -0.000 0.000) 21.108 21.450 ( 17.497 -0.000 0.000) 17.497 21.638 ( 25.998 -0.000 0.000) 25.998 21.839 ( 15.716 -0.000 0.000) 15.716 22.833 ( 7.670 -0.000 0.000) 7.670 24.015 ( -25.494 0.000 0.000) 25.494 24.078 ( -2.084 0.000 0.000) 2.084 25.037 ( -28.216 0.000 0.000) 28.216 27.200 ( 1.797 -0.000 0.000) 1.797 27.620 ( 8.367 -0.000 0.000) 8.367 30.533 ( -10.178 0.000 0.000) 10.178 31.846 ( 3.590 -0.000 0.000) 3.590 32.202 ( -16.775 0.000 0.000) 16.775 33.047 ( -6.854 0.000 0.000) 6.854 36.024 ( -1.944 0.000 0.000) 1.944 37.227 ( 8.881 -0.000 0.000) 8.881 39.853 ( -2.561 0.000 0.000) 2.561 43.156 ( -1.127 0.000 0.000) 1.127 ======================= Grid point 29 (21/245) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 10.910 -1.578 0.000) 11.023 2.226 ( -1.516 0.308 0.000) 1.547 2.458 ( 12.973 0.582 0.000) 12.986 2.607 ( 0.885 -0.593 0.000) 1.065 3.004 ( 7.064 -0.321 0.000) 7.072 3.503 ( 15.735 -0.392 0.000) 15.739 4.358 ( 21.983 -1.992 0.000) 22.073 5.641 ( 7.158 -0.260 0.000) 7.162 5.965 ( 14.775 -0.077 0.000) 14.775 7.191 ( 15.865 0.175 0.000) 15.866 7.966 ( 9.550 -0.099 0.000) 9.550 8.132 ( 13.181 -1.471 0.000) 13.262 8.900 ( 5.324 -2.173 0.000) 5.750 10.677 ( -49.230 0.107 0.000) 49.230 12.802 ( -26.949 0.630 0.000) 26.956 17.241 ( 12.930 -2.509 0.000) 13.172 17.725 ( -7.491 0.515 0.000) 7.509 18.304 ( -0.205 0.269 0.000) 0.338 20.832 ( 21.250 -0.972 0.000) 21.272 21.672 ( 6.970 2.442 0.000) 7.385 22.080 ( 18.658 1.146 0.000) 18.693 22.113 ( 15.277 1.680 0.000) 15.369 22.930 ( 2.388 -1.761 0.000) 2.967 23.525 ( -25.659 -0.464 0.000) 25.663 24.036 ( -1.041 3.061 0.000) 3.234 24.535 ( -24.660 -0.781 0.000) 24.672 27.262 ( 2.903 -4.704 0.000) 5.528 27.780 ( 9.284 2.362 0.000) 9.580 30.355 ( -8.768 -0.535 0.000) 8.784 31.913 ( -12.821 2.835 0.000) 13.131 31.917 ( 3.699 -0.934 0.000) 3.815 32.920 ( -6.293 0.717 0.000) 6.334 35.993 ( -1.471 -0.644 0.000) 1.606 37.377 ( 6.788 -0.927 0.000) 6.851 39.806 ( -2.280 0.242 0.000) 2.293 43.138 ( -0.834 -0.239 0.000) 0.867 ======================= Grid point 30 (22/245) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 7.218 -1.268 0.000) 7.329 2.194 ( -1.563 0.708 0.000) 1.716 2.582 ( -0.464 1.344 0.000) 1.422 2.658 ( 5.226 -1.361 0.000) 5.401 3.099 ( 2.687 -0.479 0.000) 2.730 3.712 ( 6.371 0.040 0.000) 6.371 4.678 ( 10.944 -1.052 0.000) 10.994 5.735 ( 2.632 -0.248 0.000) 2.643 6.161 ( 5.621 -0.049 0.000) 5.621 7.391 ( 5.475 0.259 0.000) 5.481 8.103 ( 4.379 -0.202 0.000) 4.383 8.431 ( 15.164 -1.751 0.000) 15.265 9.024 ( 6.461 -1.799 0.000) 6.707 9.956 ( -24.699 0.445 0.000) 24.703 12.440 ( -10.773 0.440 0.000) 10.782 17.453 ( 5.796 -1.297 0.000) 5.940 17.645 ( 1.527 0.114 0.000) 1.531 18.289 ( -0.982 0.314 0.000) 1.031 21.174 ( 13.373 -1.063 0.000) 13.415 21.680 ( -5.088 0.560 0.000) 5.119 22.220 ( -4.756 2.438 0.000) 5.345 22.365 ( 9.790 0.214 0.000) 9.792 22.966 ( 2.068 -2.196 0.000) 3.016 23.175 ( -8.212 0.523 0.000) 8.228 23.983 ( -3.186 9.976 0.000) 10.473 24.209 ( -9.028 -7.467 0.000) 11.716 27.340 ( 1.133 -7.715 0.000) 7.798 27.930 ( 9.213 6.505 0.000) 11.278 30.228 ( -5.077 -1.783 0.000) 5.381 31.704 ( -7.695 2.762 0.000) 8.175 31.991 ( 3.669 -0.594 0.000) 3.717 32.814 ( -4.450 0.431 0.000) 4.471 35.980 ( -0.260 -0.576 0.000) 0.633 37.486 ( 4.293 -0.518 0.000) 4.324 39.769 ( -1.400 0.168 0.000) 1.410 43.130 ( -0.011 -0.135 0.000) 0.136 ======================= Grid point 31 (23/245) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 2.997 0.640 0.000) 3.065 2.160 ( -0.772 0.963 0.000) 1.234 2.523 ( -5.256 -0.680 0.000) 5.300 2.717 ( 0.472 0.644 0.000) 0.799 3.105 ( -2.291 -0.421 0.000) 2.329 3.739 ( -3.136 0.979 0.000) 3.285 4.767 ( -1.361 1.580 0.000) 2.085 5.739 ( -2.389 -0.246 0.000) 2.402 6.164 ( -5.251 0.045 0.000) 5.251 7.386 ( -5.807 0.214 0.000) 5.811 8.112 ( -3.705 -0.004 0.000) 3.705 8.538 ( -6.090 1.177 0.000) 6.203 9.146 ( 6.194 1.615 0.000) 6.401 9.928 ( 23.373 -0.333 0.000) 23.375 12.412 ( 7.749 -0.331 0.000) 7.756 17.474 ( -0.598 -0.950 0.000) 1.122 17.762 ( 8.235 4.115 0.000) 9.206 18.271 ( -0.660 -0.141 0.000) 0.675 21.293 ( -1.423 2.960 0.000) 3.285 21.487 ( -16.664 -5.903 0.000) 17.679 21.917 ( -22.684 -6.524 0.000) 23.603 22.391 ( -8.501 0.422 0.000) 8.511 23.153 ( 17.815 1.015 0.000) 17.844 23.171 ( 5.384 2.871 0.000) 6.101 23.846 ( -3.637 4.431 0.000) 5.733 24.268 ( 8.587 -3.646 0.000) 9.329 27.376 ( -2.644 -8.673 0.000) 9.067 28.036 ( 7.547 12.064 0.000) 14.230 30.201 ( 0.657 -3.801 0.000) 3.858 31.601 ( -2.192 0.514 0.000) 2.252 32.055 ( 3.208 1.394 0.000) 3.498 32.759 ( -1.504 -1.332 0.000) 2.009 35.993 ( 1.492 -0.317 0.000) 1.525 37.539 ( 1.453 1.067 0.000) 1.802 39.755 ( -0.107 -0.252 0.000) 0.274 43.141 ( 1.192 0.173 0.000) 1.205 ======================= Grid point 32 (24/245) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -2.822 5.418 0.000) 6.109 2.194 ( 1.522 -0.484 0.000) 1.597 2.397 ( -8.818 -1.054 0.000) 8.881 2.671 ( -4.680 1.118 0.000) 4.812 3.022 ( -6.682 -0.172 0.000) 6.684 3.586 ( -12.072 2.391 0.000) 12.307 4.611 ( -13.209 4.843 0.000) 14.069 5.655 ( -6.564 -0.296 0.000) 6.570 5.976 ( -14.273 0.236 0.000) 14.274 7.178 ( -16.164 0.039 0.000) 16.164 7.976 ( -10.122 0.139 0.000) 10.123 8.328 ( -11.102 3.847 0.000) 11.750 9.224 ( 4.557 7.095 0.000) 8.433 10.666 ( 50.888 -0.140 0.000) 50.888 12.705 ( 21.627 -2.212 0.000) 21.740 17.485 ( 0.923 -0.192 0.000) 0.943 17.854 ( 6.700 10.858 0.000) 12.758 18.268 ( -0.006 -0.689 0.000) 0.689 21.056 ( -18.462 8.838 0.000) 20.468 21.159 ( -24.201 -15.374 0.000) 28.671 21.618 ( -15.619 -14.373 0.000) 21.226 22.092 ( -21.707 0.027 0.000) 21.707 23.188 ( -0.353 5.727 0.000) 5.738 23.597 ( 26.835 1.720 0.000) 26.890 23.824 ( 1.947 -0.531 0.000) 2.018 24.520 ( 15.892 -2.369 0.000) 16.068 27.332 ( -7.426 -8.280 0.000) 11.122 28.073 ( 5.851 17.475 0.000) 18.429 30.296 ( 6.396 -5.389 0.000) 8.364 31.617 ( 2.819 -3.486 0.000) 4.483 32.088 ( 2.085 4.842 0.000) 5.272 32.778 ( 1.840 -4.283 0.000) 4.662 36.039 ( 3.394 0.106 0.000) 3.396 37.526 ( -1.526 3.452 0.000) 3.774 39.768 ( 1.187 -0.857 0.000) 1.464 43.173 ( 2.446 0.754 0.000) 2.559 ======================= Grid point 33 (25/245) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -5.101 9.945 0.000) 11.177 2.200 ( -12.707 0.828 0.000) 12.734 2.208 ( -0.509 -0.867 0.000) 1.005 2.547 ( -7.727 -0.438 0.000) 7.740 2.871 ( -8.969 0.485 0.000) 8.982 3.268 ( -19.761 4.345 0.000) 20.233 4.230 ( -23.151 8.462 0.000) 24.649 5.508 ( -9.131 -0.057 0.000) 9.132 5.656 ( -18.966 0.493 0.000) 18.973 6.801 ( -23.769 -0.277 0.000) 23.771 7.762 ( -12.131 -0.319 0.000) 12.135 8.138 ( -6.292 4.935 0.000) 7.996 9.234 ( 2.641 12.646 0.000) 12.919 11.727 ( 61.358 0.233 0.000) 61.359 13.182 ( 24.798 -6.805 0.000) 25.715 17.464 ( -1.703 8.152 0.000) 8.328 17.946 ( 11.566 10.569 0.000) 15.668 18.271 ( -0.478 -0.440 0.000) 0.650 20.632 ( -19.362 8.983 0.000) 21.344 20.787 ( -27.269 -24.172 0.000) 36.440 21.425 ( -15.201 -14.826 0.000) 21.234 21.628 ( -26.982 -0.049 0.000) 26.982 23.080 ( -7.356 7.042 0.000) 10.183 23.899 ( 4.303 -3.099 0.000) 5.303 24.082 ( 25.495 2.011 0.000) 25.574 24.859 ( 17.379 -4.783 0.000) 18.025 27.191 ( -12.394 -7.128 0.000) 14.297 28.077 ( 7.028 20.496 0.000) 21.668 30.483 ( 9.883 -5.303 0.000) 11.216 31.737 ( 5.933 -8.667 0.000) 10.503 32.076 ( 0.764 8.297 0.000) 8.332 32.869 ( 4.238 -6.823 0.000) 8.032 36.117 ( 5.141 0.773 0.000) 5.199 37.445 ( -4.060 6.195 0.000) 7.407 39.806 ( 2.046 -1.384 0.000) 2.470 43.222 ( 3.499 1.762 0.000) 3.918 ======================= Grid point 34 (26/245) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -8.272 14.635 0.000) 16.811 1.900 ( -17.876 5.123 0.000) 18.596 2.168 ( -5.029 0.221 0.000) 5.034 2.413 ( -7.492 -4.061 0.000) 8.522 2.702 ( -7.896 1.946 0.000) 8.132 2.820 ( -23.764 6.098 0.000) 24.534 3.676 ( -29.102 12.209 0.000) 31.560 5.253 ( -19.310 1.191 0.000) 19.346 5.368 ( -9.083 0.318 0.000) 9.088 6.323 ( -26.885 -0.625 0.000) 26.892 7.555 ( -10.099 -1.442 0.000) 10.202 8.034 ( -2.127 4.932 0.000) 5.371 9.185 ( 1.311 16.464 0.000) 16.516 12.895 ( 62.422 0.006 0.000) 62.422 13.621 ( 12.130 -17.308 0.000) 21.135 17.359 ( -0.408 14.828 0.000) 14.834 18.185 ( 20.203 9.744 0.000) 22.430 18.236 ( -3.555 1.217 0.000) 3.757 20.270 ( -13.580 9.310 0.000) 16.465 20.427 ( -26.888 -27.230 0.000) 38.268 21.125 ( -25.370 -1.941 0.000) 25.444 21.227 ( -14.999 -13.351 0.000) 20.081 22.840 ( -13.740 7.418 0.000) 15.615 23.992 ( 3.213 -2.963 0.000) 4.370 24.502 ( 20.408 2.204 0.000) 20.527 25.171 ( 9.075 -11.843 0.000) 14.920 26.960 ( -15.485 -5.141 0.000) 16.316 28.137 ( 12.972 20.868 0.000) 24.572 30.703 ( 10.439 -3.782 0.000) 11.103 31.914 ( 5.131 -14.452 0.000) 15.336 32.025 ( -0.319 10.718 0.000) 10.723 33.000 ( 4.948 -7.977 0.000) 9.387 36.221 ( 6.737 1.608 0.000) 6.926 37.312 ( -5.166 9.104 0.000) 10.467 39.856 ( 2.230 -1.641 0.000) 2.769 43.282 ( 4.485 3.289 0.000) 5.562 ======================= Grid point 35 (27/245) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -23.421 9.496 0.000) 25.273 1.490 ( -13.578 17.525 0.000) 22.169 1.936 ( -17.606 14.105 0.000) 22.559 2.324 ( -5.417 -7.045 0.000) 8.887 2.387 ( -16.535 -0.128 0.000) 16.536 2.595 ( -2.779 3.670 0.000) 4.603 3.051 ( -27.861 15.735 0.000) 31.997 4.892 ( -17.521 1.343 0.000) 17.573 5.245 ( -3.244 1.663 0.000) 3.645 5.844 ( -23.895 -0.862 0.000) 23.911 7.415 ( -5.931 -2.486 0.000) 6.431 7.990 ( -0.019 4.357 0.000) 4.357 9.103 ( 0.594 18.058 0.000) 18.068 13.706 ( -22.833 -35.289 0.000) 42.032 13.985 ( 52.566 0.147 0.000) 52.566 17.344 ( 7.440 11.986 0.000) 14.108 18.117 ( -7.331 3.801 0.000) 8.258 18.609 ( 34.446 15.656 0.000) 37.837 20.018 ( -8.384 7.559 0.000) 11.288 20.110 ( -21.139 -21.288 0.000) 30.001 20.733 ( -17.598 -4.705 0.000) 18.216 21.068 ( -8.496 -10.075 0.000) 13.179 22.494 ( -18.363 7.314 0.000) 19.766 24.034 ( 0.004 -0.590 0.000) 0.590 24.809 ( 13.799 2.393 0.000) 14.004 25.225 ( -19.275 -27.362 0.000) 33.470 26.723 ( -9.608 -0.221 0.000) 9.610 28.349 ( 22.890 20.364 0.000) 30.637 30.897 ( 8.197 -2.024 0.000) 8.443 31.947 ( -0.952 11.896 0.000) 11.934 32.050 ( -2.544 -19.778 0.000) 19.941 33.133 ( 4.159 -7.928 0.000) 8.953 36.351 ( 8.318 1.733 0.000) 8.497 37.168 ( -2.981 12.336 0.000) 12.691 39.903 ( 1.786 -1.611 0.000) 2.406 43.355 ( 6.184 5.197 0.000) 8.078 ======================= Grid point 36 (28/245) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -25.667 14.426 0.000) 29.444 1.045 ( -23.780 16.970 0.000) 29.214 1.458 ( -13.351 36.196 0.000) 38.580 2.190 ( -7.746 -4.962 0.000) 9.199 2.290 ( -3.065 -8.238 0.000) 8.790 2.520 ( -16.888 18.668 0.000) 25.174 2.552 ( -0.126 3.649 0.000) 3.651 4.609 ( -11.402 1.574 0.000) 11.511 5.263 ( 7.745 2.442 0.000) 8.121 5.485 ( -14.032 -0.928 0.000) 14.063 7.361 ( -1.508 -2.357 0.000) 2.799 7.973 ( 0.453 3.670 0.000) 3.698 9.007 ( 0.187 17.718 0.000) 17.719 13.038 ( -75.966 -45.117 0.000) 88.354 14.772 ( 30.303 1.382 0.000) 30.334 17.454 ( 7.093 3.565 0.000) 7.938 17.950 ( -6.548 5.670 0.000) 8.662 19.312 ( 40.911 7.248 0.000) 41.549 19.874 ( -4.004 1.887 0.000) 4.426 19.999 ( 15.086 3.594 0.000) 15.509 20.534 ( -7.835 -7.866 0.000) 11.102 21.039 ( 0.781 -3.543 0.000) 3.628 22.106 ( -17.231 7.177 0.000) 18.666 24.008 ( -1.749 2.017 0.000) 2.670 24.616 ( -69.709 -40.376 0.000) 80.557 24.987 ( 6.840 2.444 0.000) 7.264 26.638 ( 0.646 4.376 0.000) 4.423 28.765 ( 32.627 16.370 0.000) 36.504 31.017 ( 3.186 -1.419 0.000) 3.488 31.861 ( -0.865 11.708 0.000) 11.739 31.973 ( -19.059 -18.255 0.000) 26.391 33.238 ( 2.345 -7.095 0.000) 7.473 36.502 ( 7.012 -1.395 0.000) 7.150 37.108 ( 6.325 14.030 0.000) 15.390 39.938 ( 0.955 -1.419 0.000) 1.711 43.466 ( 9.556 5.822 0.000) 11.190 ======================= Grid point 37 (29/245) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.000 21.896 0.000) 21.896 0.595 ( 0.000 25.012 0.000) 25.012 1.096 ( 0.000 45.749 0.000) 45.749 2.142 ( -0.000 -4.552 0.000) 4.552 2.238 ( 0.000 16.045 0.000) 16.045 2.316 ( -0.000 -4.078 0.000) 4.078 2.533 ( 0.000 3.177 0.000) 3.177 4.476 ( 0.000 2.898 0.000) 2.898 5.346 ( -0.000 -0.982 0.000) 0.982 5.471 ( -0.000 -6.927 0.000) 6.927 7.371 ( -0.000 -1.648 0.000) 1.648 7.959 ( 0.000 3.116 0.000) 3.116 8.912 ( 0.000 15.734 0.000) 15.734 11.894 ( 0.000 4.757 0.000) 4.757 15.049 ( 0.000 2.066 0.000) 2.066 17.520 ( -0.000 -1.029 0.000) 1.029 17.850 ( 0.000 5.557 0.000) 5.557 19.592 ( -0.000 -13.137 0.000) 13.137 19.842 ( -0.000 -1.397 0.000) 1.397 20.513 ( -0.000 -8.485 0.000) 8.485 20.806 ( -0.000 -5.882 0.000) 5.882 21.076 ( -0.000 -0.111 0.000) 0.111 21.875 ( 0.000 6.769 0.000) 6.769 23.468 ( 0.000 1.509 0.000) 1.509 23.972 ( 0.000 2.802 0.000) 2.802 25.037 ( 0.000 2.228 0.000) 2.228 26.631 ( 0.000 4.306 0.000) 4.306 29.191 ( -0.000 -1.771 0.000) 1.771 31.034 ( -0.000 -1.415 0.000) 1.415 31.679 ( 0.000 3.448 0.000) 3.448 31.789 ( 0.000 10.167 0.000) 10.167 33.297 ( -0.000 -5.828 0.000) 5.828 36.584 ( -0.000 -3.517 0.000) 3.517 37.200 ( 0.000 3.676 0.000) 3.676 39.954 ( -0.000 -1.199 0.000) 1.199 43.594 ( -0.000 -0.001 0.000) 0.001 ======================= Grid point 42 (30/245) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 7.667 -0.000 0.000) 7.667 2.198 ( -1.456 0.000 0.000) 1.456 2.591 ( -2.310 0.000 0.000) 2.310 2.649 ( 7.064 -0.000 0.000) 7.064 3.096 ( 2.726 -0.000 0.000) 2.726 3.712 ( 6.603 -0.000 0.000) 6.603 4.672 ( 11.739 -0.000 0.000) 11.739 5.734 ( 2.672 -0.000 0.000) 2.672 6.161 ( 5.646 -0.000 0.000) 5.646 7.393 ( 5.452 -0.000 0.000) 5.452 8.102 ( 4.419 -0.000 0.000) 4.419 8.421 ( 15.752 -0.000 0.000) 15.752 9.014 ( 7.307 -0.000 0.000) 7.307 9.959 ( -24.761 0.000 0.000) 24.761 12.442 ( -10.962 0.000 0.000) 10.962 17.446 ( 6.771 -0.000 0.000) 6.771 17.646 ( 1.515 -0.000 0.000) 1.515 18.291 ( -1.089 0.000 0.000) 1.089 21.168 ( 13.875 -0.000 0.000) 13.875 21.683 ( -6.578 0.000 0.000) 6.578 22.234 ( -7.509 0.000 0.000) 7.509 22.367 ( 10.720 -0.000 0.000) 10.720 22.953 ( 2.837 -0.000 0.000) 2.837 23.178 ( -7.457 0.000 0.000) 7.457 24.076 ( 4.607 -0.000 0.000) 4.607 24.130 ( -17.338 0.000 0.000) 17.338 27.295 ( 1.645 -0.000 0.000) 1.645 27.968 ( 9.862 -0.000 0.000) 9.862 30.217 ( -5.454 0.000 0.000) 5.454 31.720 ( -8.417 0.000 0.000) 8.417 31.988 ( 4.103 -0.000 0.000) 4.103 32.816 ( -4.820 0.000 0.000) 4.820 35.976 ( -0.133 0.000 0.000) 0.133 37.483 ( 4.697 -0.000 0.000) 4.697 39.770 ( -1.505 0.000 0.000) 1.505 43.130 ( 0.073 -0.000 0.000) 0.073 ======================= Grid point 43 (31/245) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 4.404 -0.063 0.000) 4.405 2.172 ( -1.155 0.676 0.000) 1.338 2.517 ( -5.602 -0.230 0.000) 5.607 2.722 ( 0.829 0.214 0.000) 0.857 3.102 ( -2.212 -0.199 0.000) 2.221 3.747 ( -2.717 0.401 0.000) 2.747 4.779 ( -0.267 0.578 0.000) 0.637 5.736 ( -2.414 -0.120 0.000) 2.417 6.165 ( -5.200 0.015 0.000) 5.200 7.388 ( -5.852 0.106 0.000) 5.853 8.112 ( -3.599 -0.016 0.000) 3.599 8.546 ( -4.727 0.360 0.000) 4.741 9.159 ( 7.960 0.534 0.000) 7.978 9.926 ( 23.123 -0.106 0.000) 23.124 12.410 ( 7.287 -0.105 0.000) 7.288 17.466 ( -0.893 -0.401 0.000) 0.979 17.796 ( 10.930 1.642 0.000) 11.052 18.271 ( -0.898 -0.036 0.000) 0.898 21.319 ( 2.085 1.265 0.000) 2.439 21.438 ( -19.784 -2.378 0.000) 19.927 21.863 ( -27.038 -2.551 0.000) 27.158 22.394 ( -8.996 0.106 0.000) 8.997 23.159 ( 20.004 0.237 0.000) 20.005 23.197 ( 4.919 1.243 0.000) 5.073 23.891 ( -6.967 2.625 0.000) 7.445 24.231 ( 10.772 -2.165 0.000) 10.988 27.307 ( -1.731 -3.159 0.000) 3.602 28.133 ( 8.852 4.539 0.000) 9.948 30.167 ( -0.163 -1.743 0.000) 1.751 31.608 ( -3.410 0.394 0.000) 3.432 32.066 ( 4.332 0.541 0.000) 4.366 32.748 ( -2.501 -0.527 0.000) 2.556 35.990 ( 1.625 -0.165 0.000) 1.634 37.548 ( 2.212 0.398 0.000) 2.248 39.753 ( -0.314 -0.092 0.000) 0.327 43.142 ( 1.350 0.062 0.000) 1.352 ======================= Grid point 44 (32/245) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -1.283 3.107 0.000) 3.361 2.189 ( 1.411 -0.287 0.000) 1.440 2.388 ( -8.495 -0.549 0.000) 8.513 2.681 ( -4.908 0.587 0.000) 4.943 3.019 ( -6.520 -0.194 0.000) 6.523 3.609 ( -11.391 1.467 0.000) 11.485 4.654 ( -12.104 2.578 0.000) 12.376 5.651 ( -6.658 -0.317 0.000) 6.665 5.979 ( -14.171 0.130 0.000) 14.171 7.179 ( -16.250 0.100 0.000) 16.250 7.978 ( -10.181 0.054 0.000) 10.181 8.362 ( -10.606 2.047 0.000) 10.801 9.288 ( 6.851 3.917 0.000) 7.892 10.665 ( 51.217 -0.050 0.000) 51.217 12.685 ( 20.407 -1.256 0.000) 20.445 17.476 ( 1.758 -0.843 0.000) 1.950 17.966 ( 9.852 7.711 0.000) 12.511 18.262 ( -0.091 -0.360 0.000) 0.372 21.010 ( -28.694 -9.817 0.000) 30.326 21.167 ( -16.510 10.643 0.000) 19.643 21.457 ( -17.631 -13.710 0.000) 22.335 22.093 ( -21.648 0.016 0.000) 21.648 23.240 ( 0.047 3.220 0.000) 3.221 23.613 ( 26.950 1.007 0.000) 26.969 23.826 ( 0.331 0.558 0.000) 0.649 24.495 ( 15.782 -1.791 0.000) 15.883 27.255 ( -6.427 -4.780 0.000) 8.010 28.238 ( 7.007 10.550 0.000) 12.665 30.237 ( 5.701 -4.311 0.000) 7.147 31.591 ( 1.321 -1.218 0.000) 1.797 32.135 ( 3.912 3.170 0.000) 5.036 32.736 ( 0.293 -2.877 0.000) 2.892 36.039 ( 3.527 -0.107 0.000) 3.529 37.557 ( -0.543 1.954 0.000) 2.028 39.761 ( 0.957 -0.487 0.000) 1.074 43.180 ( 2.751 0.419 0.000) 2.783 ======================= Grid point 45 (33/245) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -3.070 7.311 0.000) 7.930 2.197 ( -0.834 -1.087 0.000) 1.370 2.207 ( -10.989 0.501 0.000) 11.001 2.543 ( -9.225 -0.228 0.000) 9.227 2.875 ( -8.459 0.243 0.000) 8.463 3.312 ( -18.687 3.301 0.000) 18.977 4.309 ( -22.060 5.279 0.000) 22.683 5.504 ( -8.998 -0.467 0.000) 9.010 5.661 ( -18.986 0.313 0.000) 18.989 6.799 ( -23.921 -0.087 0.000) 23.922 7.759 ( -12.538 -0.219 0.000) 12.540 8.185 ( -6.349 3.316 0.000) 7.162 9.360 ( 4.702 8.989 0.000) 10.144 11.729 ( 61.340 0.184 0.000) 61.340 13.114 ( 21.576 -4.788 0.000) 22.101 17.517 ( 1.785 2.010 0.000) 2.688 18.098 ( 12.580 14.267 0.000) 19.021 18.266 ( 0.039 -0.287 0.000) 0.290 20.525 ( -31.513 -20.605 0.000) 37.651 20.744 ( -18.700 10.624 0.000) 21.507 21.255 ( -15.262 -14.702 0.000) 21.191 21.628 ( -27.213 0.047 0.000) 27.214 23.149 ( -7.306 4.937 0.000) 8.818 23.874 ( 3.948 -1.401 0.000) 4.189 24.102 ( 25.509 1.459 0.000) 25.551 24.812 ( 15.545 -3.438 0.000) 15.921 27.119 ( -11.249 -5.207 0.000) 12.396 28.287 ( 6.994 15.500 0.000) 17.005 30.415 ( 9.801 -5.966 0.000) 11.474 31.664 ( 4.505 -4.249 0.000) 6.193 32.168 ( 2.698 7.352 0.000) 7.832 32.792 ( 2.823 -6.340 0.000) 6.940 36.121 ( 5.209 0.073 0.000) 5.209 37.505 ( -3.003 4.253 0.000) 5.207 39.792 ( 1.889 -0.990 0.000) 2.133 43.239 ( 4.032 1.195 0.000) 4.205 ======================= Grid point 46 (34/245) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -7.478 10.768 0.000) 13.110 1.958 ( -14.751 4.812 0.000) 15.516 2.170 ( -2.753 -0.076 0.000) 2.754 2.366 ( -10.177 -4.008 0.000) 10.938 2.722 ( -6.944 1.515 0.000) 7.108 2.891 ( -22.836 6.031 0.000) 23.618 3.795 ( -28.040 8.476 0.000) 29.293 5.268 ( -18.885 1.467 0.000) 18.942 5.362 ( -9.350 -1.265 0.000) 9.435 6.317 ( -27.079 -0.468 0.000) 27.083 7.540 ( -10.707 -1.074 0.000) 10.761 8.085 ( -2.481 3.889 0.000) 4.613 9.362 ( 2.685 13.861 0.000) 14.118 12.894 ( 62.234 -0.040 0.000) 62.234 13.448 ( 6.059 -12.633 0.000) 14.011 17.494 ( -0.402 8.667 0.000) 8.676 18.249 ( -2.235 1.037 0.000) 2.464 18.332 ( 22.660 15.603 0.000) 27.513 20.106 ( -27.568 -28.198 0.000) 39.435 20.389 ( -12.786 11.543 0.000) 17.225 21.049 ( -15.662 -14.079 0.000) 21.060 21.121 ( -25.563 -2.180 0.000) 25.656 22.918 ( -13.930 6.007 0.000) 15.170 23.965 ( 4.161 -1.878 0.000) 4.565 24.525 ( 20.500 1.868 0.000) 20.585 25.053 ( 4.380 -8.636 0.000) 9.684 26.910 ( -12.929 -3.600 0.000) 13.421 28.357 ( 11.414 17.051 0.000) 20.518 30.647 ( 10.795 -5.738 0.000) 12.225 31.788 ( 4.430 -7.736 0.000) 8.915 32.152 ( 1.297 11.121 0.000) 11.196 32.903 ( 4.045 -8.878 0.000) 9.756 36.230 ( 6.420 0.141 0.000) 6.421 37.404 ( -4.183 6.790 0.000) 7.976 39.838 ( 2.191 -1.379 0.000) 2.589 43.314 ( 5.167 2.406 0.000) 5.700 ======================= Grid point 47 (35/245) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -20.076 10.696 0.000) 22.748 1.658 ( -14.791 12.345 0.000) 19.266 2.079 ( -5.045 8.595 0.000) 9.966 2.234 ( -7.685 -8.695 0.000) 11.605 2.417 ( -20.631 6.497 0.000) 21.630 2.633 ( -2.628 3.025 0.000) 4.008 3.212 ( -26.750 12.060 0.000) 29.342 4.912 ( -17.078 2.021 0.000) 17.197 5.244 ( -4.019 -1.543 0.000) 4.305 5.833 ( -24.113 -0.930 0.000) 24.131 7.389 ( -6.150 -1.992 0.000) 6.464 8.038 ( -0.405 3.919 0.000) 3.940 9.309 ( 1.342 17.302 0.000) 17.354 13.377 ( -26.889 -22.703 0.000) 35.192 13.986 ( 52.992 0.067 0.000) 52.992 17.456 ( 2.531 8.184 0.000) 8.567 18.161 ( -5.615 3.717 0.000) 6.734 18.778 ( 34.015 14.136 0.000) 36.835 19.849 ( -14.394 -23.922 0.000) 27.919 20.114 ( -10.822 9.158 0.000) 14.177 20.683 ( -19.691 -4.065 0.000) 20.106 20.943 ( -5.215 -11.569 0.000) 12.690 22.575 ( -18.496 6.569 0.000) 19.628 24.029 ( 1.723 -0.300 0.000) 1.749 24.836 ( 13.930 2.281 0.000) 14.116 24.964 ( -25.108 -18.367 0.000) 31.109 26.732 ( -5.371 1.395 0.000) 5.549 28.549 ( 19.324 14.730 0.000) 24.298 30.860 ( 8.459 -4.285 0.000) 9.482 31.884 ( -0.493 -9.758 0.000) 9.770 32.094 ( 0.203 13.524 0.000) 13.526 33.031 ( 3.699 -9.796 0.000) 10.471 36.355 ( 6.799 -0.555 0.000) 6.821 37.289 ( -2.681 8.862 0.000) 9.259 39.885 ( 1.830 -1.546 0.000) 2.396 43.405 ( 6.407 3.544 0.000) 7.322 ======================= Grid point 48 (36/245) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -21.129 16.329 0.000) 26.704 1.234 ( -20.449 16.315 0.000) 26.160 1.859 ( -5.023 32.327 0.000) 32.714 2.127 ( -9.556 -5.381 0.000) 10.967 2.180 ( -4.224 -11.027 0.000) 11.809 2.594 ( -0.139 3.566 0.000) 3.569 2.720 ( -16.002 15.773 0.000) 22.469 4.636 ( -10.466 2.795 0.000) 10.832 5.252 ( 3.625 -3.772 0.000) 5.232 5.471 ( -14.407 -1.410 0.000) 14.476 7.335 ( -1.033 -2.054 0.000) 2.299 8.016 ( 0.218 3.737 0.000) 3.743 9.221 ( 0.523 19.069 0.000) 19.076 12.689 ( -56.837 -19.542 0.000) 60.103 14.788 ( 31.298 1.428 0.000) 31.331 17.486 ( 3.037 2.631 0.000) 4.018 18.020 ( -5.419 6.419 0.000) 8.400 19.282 ( 12.465 -9.413 0.000) 15.620 19.897 ( -7.945 2.073 0.000) 8.211 20.038 ( 36.433 2.462 0.000) 36.516 20.443 ( -9.507 -7.827 0.000) 12.314 20.996 ( 4.735 -3.943 0.000) 6.162 22.188 ( -17.251 6.960 0.000) 18.602 24.032 ( -0.488 2.098 0.000) 2.154 24.285 ( -57.708 -20.033 0.000) 61.086 25.016 ( 6.933 2.595 0.000) 7.403 26.693 ( 1.703 4.973 0.000) 5.257 28.895 ( 23.103 7.576 0.000) 24.313 30.992 ( 3.081 -2.797 0.000) 4.161 31.848 ( -8.337 -5.603 0.000) 10.045 32.012 ( -0.281 14.419 0.000) 14.422 33.143 ( 2.176 -9.507 0.000) 9.753 36.477 ( 4.760 -2.538 0.000) 5.394 37.231 ( 2.148 8.185 0.000) 8.462 39.921 ( 1.005 -1.541 0.000) 1.839 43.514 ( 7.091 2.878 0.000) 7.653 ======================= Grid point 49 (37/245) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.000 21.495 0.000) 21.495 0.870 ( 0.000 23.204 0.000) 23.204 1.593 ( 0.000 41.144 0.000) 41.144 2.077 ( -0.000 -6.816 0.000) 6.816 2.201 ( -0.000 -10.395 0.000) 10.395 2.471 ( 0.000 18.168 0.000) 18.168 2.574 ( 0.000 3.736 0.000) 3.736 4.513 ( 0.000 3.575 0.000) 3.575 5.333 ( -0.000 -1.283 0.000) 1.283 5.377 ( -0.000 -9.420 0.000) 9.420 7.350 ( -0.000 -1.987 0.000) 1.987 7.998 ( 0.000 3.617 0.000) 3.617 9.116 ( 0.000 19.228 0.000) 19.228 11.955 ( 0.000 5.799 0.000) 5.799 15.075 ( 0.000 2.488 0.000) 2.488 17.512 ( -0.000 -0.204 0.000) 0.204 17.923 ( 0.000 7.182 0.000) 7.182 19.419 ( -0.000 -16.842 0.000) 16.842 19.824 ( -0.000 -1.779 0.000) 1.779 20.408 ( -0.000 -9.539 0.000) 9.539 20.731 ( -0.000 -7.007 0.000) 7.007 21.074 ( -0.000 -0.122 0.000) 0.122 21.957 ( 0.000 7.203 0.000) 7.203 23.487 ( 0.000 1.745 0.000) 1.745 24.008 ( 0.000 3.236 0.000) 3.236 25.066 ( 0.000 2.675 0.000) 2.675 26.687 ( 0.000 5.358 0.000) 5.358 29.167 ( -0.000 -2.293 0.000) 2.293 31.017 ( -0.000 -1.436 0.000) 1.436 31.722 ( 0.000 3.888 0.000) 3.888 31.927 ( 0.000 13.753 0.000) 13.753 33.215 ( -0.000 -8.495 0.000) 8.495 36.542 ( -0.000 -3.689 0.000) 3.689 37.244 ( 0.000 3.875 0.000) 3.875 39.939 ( -0.000 -1.479 0.000) 1.479 43.594 ( 0.000 0.003 0.000) 0.003 ======================= Grid point 56 (38/245) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -0.580 0.000 0.000) 0.580 2.187 ( 1.205 -0.000 0.000) 1.205 2.384 ( -8.395 0.000 0.000) 8.395 2.684 ( -4.974 0.000 0.000) 4.974 3.018 ( -6.453 0.000 0.000) 6.453 3.618 ( -11.148 0.000 0.000) 11.148 4.669 ( -11.751 0.000 0.000) 11.751 5.649 ( -6.711 0.000 0.000) 6.711 5.979 ( -14.134 0.000 0.000) 14.134 7.180 ( -16.282 0.000 0.000) 16.282 7.978 ( -10.198 0.000 0.000) 10.198 8.374 ( -10.421 0.000 0.000) 10.421 9.310 ( 7.695 -0.000 0.000) 7.695 10.664 ( 51.335 -0.000 0.000) 51.335 12.678 ( 19.956 -0.000 0.000) 19.956 17.471 ( 1.899 -0.000 0.000) 1.899 18.012 ( 11.376 -0.000 0.000) 11.376 18.260 ( -0.126 0.000 0.000) 0.126 20.951 ( -30.518 0.000 0.000) 30.518 21.278 ( -7.094 0.000 0.000) 7.094 21.329 ( -27.073 0.000 0.000) 27.073 22.093 ( -21.611 0.000 0.000) 21.611 23.259 ( 0.189 -0.000 0.000) 0.189 23.619 ( 26.981 -0.000 0.000) 26.981 23.830 ( -0.397 0.000 0.000) 0.397 24.484 ( 15.872 -0.000 0.000) 15.872 27.228 ( -6.062 0.000 0.000) 6.062 28.300 ( 7.457 -0.000 0.000) 7.457 30.210 ( 5.396 -0.000 0.000) 5.396 31.585 ( 0.825 -0.000 0.000) 0.825 32.154 ( 4.714 -0.000 0.000) 4.714 32.718 ( -0.407 0.000 0.000) 0.407 36.038 ( 3.566 -0.000 0.000) 3.566 37.568 ( -0.199 0.000 0.000) 0.199 39.758 ( 0.874 -0.000 0.000) 0.874 43.182 ( 2.860 -0.000 0.000) 2.860 ======================= Grid point 58 (39/245) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -1.229 4.061 0.000) 4.243 2.181 ( -1.858 -1.860 0.000) 2.629 2.211 ( -10.024 0.165 0.000) 10.025 2.542 ( -10.073 -0.068 0.000) 10.073 2.876 ( -8.147 0.070 0.000) 8.147 3.339 ( -18.028 1.246 0.000) 18.071 4.349 ( -21.567 1.776 0.000) 21.640 5.500 ( -8.973 -0.261 0.000) 8.977 5.663 ( -19.026 0.108 0.000) 19.026 6.798 ( -24.021 -0.008 0.000) 24.021 7.757 ( -12.748 -0.078 0.000) 12.748 8.211 ( -6.366 1.161 0.000) 6.471 9.431 ( 5.914 3.241 0.000) 6.744 11.731 ( 61.311 0.070 0.000) 61.311 13.077 ( 19.857 -1.722 0.000) 19.932 17.527 ( 3.419 0.210 0.000) 3.425 18.227 ( 14.523 6.687 0.000) 15.989 18.264 ( 0.324 -0.098 0.000) 0.339 20.350 ( -34.988 -8.545 0.000) 36.017 20.863 ( -18.533 8.773 0.000) 20.504 21.104 ( -15.110 -10.231 0.000) 18.248 21.629 ( -27.319 0.032 0.000) 27.319 23.188 ( -7.289 1.772 0.000) 7.502 23.864 ( 3.581 -0.349 0.000) 3.598 24.114 ( 25.518 0.535 0.000) 25.524 24.784 ( 14.705 -1.264 0.000) 14.759 27.077 ( -10.502 -1.877 0.000) 10.668 28.413 ( 6.826 5.862 0.000) 8.998 30.362 ( 9.780 -2.686 0.000) 10.142 31.634 ( 3.911 -1.175 0.000) 4.083 32.232 ( 4.297 3.248 0.000) 5.387 32.736 ( 1.521 -2.890 0.000) 3.266 36.121 ( 5.195 -0.052 0.000) 5.195 37.539 ( -2.487 1.504 0.000) 2.906 39.784 ( 1.799 -0.359 0.000) 1.835 43.248 ( 4.308 0.421 0.000) 4.329 ======================= Grid point 59 (40/245) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -11.524 3.243 0.000) 11.971 2.025 ( -7.849 6.293 0.000) 10.060 2.164 ( -1.305 -0.897 0.000) 1.583 2.326 ( -13.131 -2.814 0.000) 13.429 2.736 ( -6.233 0.823 0.000) 6.287 2.950 ( -21.329 3.915 0.000) 21.686 3.867 ( -27.454 4.233 0.000) 27.778 5.285 ( -18.762 1.428 0.000) 18.816 5.343 ( -9.586 -1.747 0.000) 9.744 6.313 ( -27.263 -0.234 0.000) 27.264 7.531 ( -11.087 -0.563 0.000) 11.102 8.120 ( -2.706 2.120 0.000) 3.438 9.488 ( 3.684 7.882 0.000) 8.700 12.894 ( 62.079 -0.043 0.000) 62.079 13.338 ( 2.909 -6.607 0.000) 7.219 17.562 ( 0.903 3.558 0.000) 3.671 18.258 ( -1.291 0.596 0.000) 1.422 18.516 ( 24.027 14.900 0.000) 28.272 19.814 ( -29.675 -21.209 0.000) 36.474 20.531 ( -11.588 13.199 0.000) 17.564 20.878 ( -14.928 -15.194 0.000) 21.300 21.109 ( -27.527 -0.578 0.000) 27.534 22.972 ( -14.093 3.340 0.000) 14.484 23.949 ( 4.651 -0.836 0.000) 4.725 24.543 ( 20.562 1.075 0.000) 20.590 24.978 ( 1.784 -4.502 0.000) 4.842 26.879 ( -10.807 -1.855 0.000) 10.965 28.513 ( 9.577 9.811 0.000) 13.710 30.585 ( 11.324 -4.389 0.000) 12.144 31.729 ( 4.476 -2.964 0.000) 5.369 32.267 ( 2.973 8.452 0.000) 8.960 32.807 ( 2.883 -7.197 0.000) 7.753 36.228 ( 6.126 -0.220 0.000) 6.130 37.463 ( -3.808 3.551 0.000) 5.207 39.825 ( 2.160 -0.786 0.000) 2.299 43.335 ( 5.505 1.252 0.000) 5.646 ======================= Grid point 60 (41/245) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -16.089 10.937 0.000) 19.455 1.779 ( -13.901 8.934 0.000) 16.524 2.116 ( -4.835 -0.779 0.000) 4.898 2.128 ( -10.893 -9.650 0.000) 14.553 2.527 ( -15.912 10.973 0.000) 19.328 2.661 ( -2.915 1.703 0.000) 3.376 3.322 ( -26.040 7.255 0.000) 27.032 4.934 ( -16.688 1.824 0.000) 16.787 5.217 ( -5.345 -2.778 0.000) 6.024 5.824 ( -24.359 -0.692 0.000) 24.369 7.371 ( -6.266 -1.247 0.000) 6.389 8.076 ( -0.701 2.678 0.000) 2.769 9.481 ( 1.916 12.378 0.000) 12.525 13.179 ( -26.723 -12.385 0.000) 29.453 13.987 ( 53.353 0.001 0.000) 53.353 17.535 ( 0.076 5.663 0.000) 5.663 18.198 ( -4.091 2.720 0.000) 4.912 18.937 ( 26.341 14.120 0.000) 29.887 19.576 ( -5.121 -23.492 0.000) 24.043 20.222 ( -14.960 9.307 0.000) 17.618 20.644 ( -21.219 -2.602 0.000) 21.378 20.811 ( -0.604 -11.135 0.000) 11.152 22.639 ( -18.687 4.497 0.000) 19.220 24.027 ( 2.972 -0.065 0.000) 2.973 24.803 ( -26.815 -10.192 0.000) 28.687 24.859 ( 14.026 1.637 0.000) 14.121 26.748 ( -2.538 1.251 0.000) 2.830 28.686 ( 15.180 9.260 0.000) 17.781 30.809 ( 9.346 -4.223 0.000) 10.256 31.812 ( 1.656 -3.680 0.000) 4.035 32.247 ( 1.467 12.799 0.000) 12.883 32.915 ( 3.024 -10.159 0.000) 10.600 36.346 ( 5.937 -0.906 0.000) 6.005 37.369 ( -3.185 5.163 0.000) 6.067 39.869 ( 1.864 -1.114 0.000) 2.171 43.436 ( 6.204 2.004 0.000) 6.520 ======================= Grid point 61 (42/245) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -17.371 17.065 0.000) 24.351 1.415 ( -16.210 15.353 0.000) 22.327 2.011 ( -7.015 -6.620 0.000) 9.645 2.040 ( -5.692 -13.329 0.000) 14.493 2.236 ( -4.839 24.713 0.000) 25.182 2.629 ( -0.042 2.418 0.000) 2.419 2.872 ( -15.419 10.701 0.000) 18.768 4.668 ( -9.902 2.715 0.000) 10.268 5.192 ( 0.071 -6.178 0.000) 6.178 5.455 ( -14.731 -1.258 0.000) 14.785 7.315 ( -0.848 -1.536 0.000) 1.755 8.055 ( 0.014 2.984 0.000) 2.984 9.425 ( 0.774 15.906 0.000) 15.924 12.540 ( -43.121 -7.975 0.000) 43.853 14.803 ( 32.264 1.152 0.000) 32.285 17.519 ( 0.791 3.142 0.000) 3.240 18.090 ( -4.188 5.680 0.000) 7.057 19.147 ( -0.121 -12.600 0.000) 12.601 19.919 ( -12.166 1.734 0.000) 12.289 20.051 ( 42.542 0.049 0.000) 42.542 20.362 ( -11.094 -6.182 0.000) 12.700 20.953 ( 8.951 -3.426 0.000) 9.585 22.259 ( -17.410 5.369 0.000) 18.220 24.054 ( 0.326 1.665 0.000) 1.697 24.122 ( -48.173 -9.650 0.000) 49.130 25.044 ( 7.007 2.152 0.000) 7.330 26.746 ( 2.497 4.195 0.000) 4.882 28.956 ( 16.192 3.590 0.000) 16.585 30.959 ( 4.272 -2.633 0.000) 5.019 31.816 ( -2.579 -0.870 0.000) 2.722 32.183 ( 0.387 15.181 0.000) 15.185 33.024 ( 1.910 -11.095 0.000) 11.258 36.449 ( 3.867 -2.182 0.000) 4.440 37.303 ( -0.492 4.818 0.000) 4.843 39.904 ( 1.049 -1.305 0.000) 1.674 43.538 ( 5.410 1.433 0.000) 5.596 ======================= Grid point 62 (43/245) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.000 20.886 0.000) 20.886 1.122 ( 0.000 20.980 0.000) 20.980 1.987 ( -0.000 -9.065 0.000) 9.065 2.025 ( 0.000 34.037 0.000) 34.037 2.064 ( -0.000 -13.379 0.000) 13.379 2.615 ( 0.000 3.273 0.000) 3.273 2.655 ( 0.000 13.795 0.000) 13.795 4.554 ( 0.000 3.466 0.000) 3.466 5.262 ( -0.000 -10.321 0.000) 10.321 5.318 ( -0.000 -1.327 0.000) 1.327 7.327 ( -0.000 -1.870 0.000) 1.870 8.038 ( 0.000 3.278 0.000) 3.278 9.334 ( 0.000 18.224 0.000) 18.224 12.021 ( 0.000 5.525 0.000) 5.525 15.103 ( 0.000 2.339 0.000) 2.339 17.518 ( 0.000 1.192 0.000) 1.192 18.008 ( 0.000 7.336 0.000) 7.336 19.221 ( -0.000 -17.208 0.000) 17.208 19.803 ( -0.000 -1.831 0.000) 1.831 20.303 ( -0.000 -8.583 0.000) 8.583 20.653 ( -0.000 -6.526 0.000) 6.526 21.073 ( -0.000 -0.104 0.000) 0.104 22.034 ( 0.000 6.092 0.000) 6.092 23.506 ( 0.000 1.576 0.000) 1.576 24.043 ( 0.000 2.917 0.000) 2.917 25.096 ( 0.000 2.507 0.000) 2.507 26.749 ( 0.000 5.220 0.000) 5.220 29.140 ( -0.000 -2.331 0.000) 2.331 31.002 ( -0.000 -1.141 0.000) 1.141 31.765 ( 0.000 3.452 0.000) 3.452 32.096 ( 0.000 15.654 0.000) 15.654 33.105 ( -0.000 -10.677 0.000) 10.677 36.502 ( -0.000 -3.089 0.000) 3.089 37.286 ( 0.000 3.257 0.000) 3.257 39.922 ( -0.000 -1.427 0.000) 1.427 43.594 ( 0.000 0.007 0.000) 0.007 ======================= Grid point 71 (44/245) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -9.875 0.000 0.000) 9.875 2.064 ( -8.613 0.000 0.000) 8.613 2.156 ( -0.365 0.000 0.000) 0.365 2.309 ( -14.687 0.000 0.000) 14.687 2.741 ( -5.973 0.000 0.000) 5.973 2.973 ( -20.599 0.000 0.000) 20.599 3.891 ( -27.271 0.000 0.000) 27.271 5.296 ( -19.734 0.000 0.000) 19.734 5.330 ( -8.700 0.000 0.000) 8.700 6.311 ( -27.338 0.000 0.000) 27.338 7.527 ( -11.215 0.000 0.000) 11.215 8.132 ( -2.783 0.000 0.000) 2.783 9.534 ( 4.049 -0.000 0.000) 4.049 12.894 ( 62.019 -0.000 0.000) 62.019 13.300 ( 1.957 -0.000 0.000) 1.957 17.581 ( 1.655 -0.000 0.000) 1.655 18.262 ( -0.948 0.000 0.000) 0.948 18.615 ( 25.717 -0.000 0.000) 25.717 19.679 ( -32.015 0.000 0.000) 32.015 20.660 ( -5.596 0.000 0.000) 5.596 20.737 ( -20.558 0.000 0.000) 20.558 21.106 ( -27.898 0.000 0.000) 27.898 22.991 ( -14.158 0.000 0.000) 14.158 23.945 ( 4.792 -0.000 0.000) 4.792 24.549 ( 20.583 -0.000 0.000) 20.583 24.952 ( 0.980 -0.000 0.000) 0.980 26.868 ( -10.018 0.000 0.000) 10.018 28.570 ( 8.778 -0.000 0.000) 8.778 30.559 ( 11.611 -0.000 0.000) 11.611 31.713 ( 4.551 -0.000 0.000) 4.551 32.321 ( 3.929 -0.000 0.000) 3.929 32.761 ( 2.114 -0.000 0.000) 2.114 36.227 ( 6.020 -0.000 0.000) 6.020 37.484 ( -3.725 0.000 0.000) 3.725 39.821 ( 2.149 -0.000 0.000) 2.149 43.343 ( 5.604 -0.000 0.000) 5.604 ======================= Grid point 73 (45/245) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -10.598 7.957 0.000) 13.252 1.857 ( -11.897 4.032 0.000) 12.561 2.023 ( -15.980 -7.515 0.000) 17.659 2.094 ( -8.420 -1.891 0.000) 8.630 2.630 ( -9.810 6.153 0.000) 11.580 2.668 ( -4.407 -0.849 0.000) 4.488 3.377 ( -25.704 2.391 0.000) 25.815 4.950 ( -16.523 0.767 0.000) 16.540 5.191 ( -6.261 -1.379 0.000) 6.411 5.818 ( -24.519 -0.252 0.000) 24.520 7.361 ( -6.319 -0.422 0.000) 6.333 8.097 ( -0.858 0.947 0.000) 1.278 9.580 ( 2.222 4.481 0.000) 5.001 13.087 ( -25.874 -3.913 0.000) 26.168 13.987 ( 53.560 -0.009 0.000) 53.560 17.581 ( -0.626 2.156 0.000) 2.245 18.220 ( -3.186 0.999 0.000) 3.339 19.110 ( 12.151 16.446 0.000) 20.448 19.324 ( 8.879 -20.319 0.000) 22.174 20.310 ( -21.124 5.046 0.000) 21.718 20.626 ( -22.139 -0.550 0.000) 22.146 20.706 ( 5.868 -6.065 0.000) 8.439 22.674 ( -18.821 1.593 0.000) 18.888 24.027 ( 3.611 0.007 0.000) 3.611 24.727 ( -27.119 -3.241 0.000) 27.312 24.872 ( 14.073 0.595 0.000) 14.086 26.759 ( -1.082 0.470 0.000) 1.180 28.758 ( 12.505 3.208 0.000) 12.909 30.773 ( 10.230 -1.725 0.000) 10.374 31.788 ( 2.739 -0.855 0.000) 2.869 32.366 ( 2.627 6.563 0.000) 7.069 32.817 ( 2.202 -5.611 0.000) 6.028 36.338 ( 5.572 -0.387 0.000) 5.586 37.408 ( -3.585 1.688 0.000) 3.962 39.861 ( 1.881 -0.405 0.000) 1.925 43.451 ( 6.017 0.645 0.000) 6.051 ======================= Grid point 74 (46/245) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -14.594 16.821 0.000) 22.270 1.579 ( -12.128 12.958 0.000) 17.749 1.878 ( -7.176 -14.913 0.000) 16.550 1.913 ( -10.699 -9.344 0.000) 14.204 2.477 ( -0.863 16.363 0.000) 16.386 2.644 ( -0.021 -0.255 0.000) 0.256 2.963 ( -15.099 5.274 0.000) 15.994 4.694 ( -9.642 1.668 0.000) 9.785 5.126 ( -2.269 -4.617 0.000) 5.145 5.444 ( -14.882 -0.724 0.000) 14.900 7.301 ( -0.834 -0.829 0.000) 1.176 8.082 ( -0.121 1.643 0.000) 1.647 9.569 ( 0.915 8.991 0.000) 9.037 12.483 ( -35.472 -2.743 0.000) 35.578 14.813 ( 32.967 0.637 0.000) 32.973 17.553 ( -0.519 2.526 0.000) 2.579 18.143 ( -3.189 3.371 0.000) 4.640 19.021 ( -4.980 -8.529 0.000) 9.877 19.935 ( -15.533 0.949 0.000) 15.562 20.046 ( 43.547 -0.582 0.000) 43.551 20.307 ( -12.290 -3.367 0.000) 12.743 20.921 ( 12.317 -2.007 0.000) 12.480 22.307 ( -17.582 2.897 0.000) 17.819 24.046 ( -42.292 -3.794 0.000) 42.462 24.071 ( 0.413 0.798 0.000) 0.899 25.064 ( 7.050 1.216 0.000) 7.154 26.785 ( 3.094 2.384 0.000) 3.906 28.984 ( 11.971 1.459 0.000) 12.060 30.935 ( 5.609 -1.505 0.000) 5.808 31.814 ( -0.098 0.248 0.000) 0.266 32.345 ( 1.073 12.289 0.000) 12.336 32.899 ( 1.516 -9.977 0.000) 10.091 36.430 ( 3.496 -1.219 0.000) 3.702 37.344 ( -1.814 2.290 0.000) 2.921 39.892 ( 1.080 -0.748 0.000) 1.313 43.549 ( 4.508 0.607 0.000) 4.549 ======================= Grid point 75 (47/245) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 0.000 19.656 0.000) 19.656 1.347 ( 0.000 18.453 0.000) 18.453 1.871 ( -0.000 -11.236 0.000) 11.236 1.900 ( -0.000 -15.291 0.000) 15.291 2.358 ( 0.000 23.925 0.000) 23.925 2.643 ( 0.000 1.515 0.000) 1.515 2.781 ( 0.000 8.224 0.000) 8.224 4.589 ( 0.000 2.532 0.000) 2.532 5.152 ( -0.000 -8.532 0.000) 8.532 5.304 ( -0.000 -1.026 0.000) 1.026 7.309 ( -0.000 -1.326 0.000) 1.326 8.071 ( 0.000 2.256 0.000) 2.256 9.515 ( 0.000 12.929 0.000) 12.929 12.076 ( 0.000 3.957 0.000) 3.957 15.127 ( 0.000 1.657 0.000) 1.657 17.537 ( 0.000 2.001 0.000) 2.001 18.083 ( 0.000 5.609 0.000) 5.609 19.043 ( -0.000 -13.338 0.000) 13.338 19.784 ( -0.000 -1.452 0.000) 1.452 20.219 ( -0.000 -5.945 0.000) 5.945 20.588 ( -0.000 -4.593 0.000) 4.593 21.072 ( -0.000 -0.067 0.000) 0.067 22.092 ( 0.000 4.004 0.000) 4.004 23.521 ( 0.000 1.081 0.000) 1.081 24.072 ( 0.000 1.998 0.000) 1.998 25.121 ( 0.000 1.771 0.000) 1.771 26.801 ( 0.000 3.811 0.000) 3.811 29.117 ( -0.000 -1.763 0.000) 1.763 30.992 ( -0.000 -0.707 0.000) 0.707 31.798 ( 0.000 2.347 0.000) 2.347 32.274 ( 0.000 15.001 0.000) 15.001 32.977 ( -0.000 -11.456 0.000) 11.456 36.473 ( -0.000 -2.019 0.000) 2.019 37.317 ( 0.000 2.135 0.000) 2.135 39.908 ( -0.000 -1.032 0.000) 1.032 43.594 ( 0.000 0.007 0.000) 0.007 ======================= Grid point 86 (48/245) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -16.597 0.000 0.000) 16.597 1.675 ( -8.238 0.000 0.000) 8.238 1.731 ( -4.757 0.000 0.000) 4.757 1.836 ( -14.149 0.000 0.000) 14.149 2.593 ( 1.387 -0.000 0.000) 1.387 2.622 ( -1.184 0.000 0.000) 1.184 2.993 ( -14.998 0.000 0.000) 14.998 4.704 ( -9.578 0.000 0.000) 9.578 5.098 ( -3.091 0.000 0.000) 3.091 5.439 ( -14.931 0.000 0.000) 14.931 7.296 ( -0.847 0.000 0.000) 0.847 8.092 ( -0.168 0.000 0.000) 0.168 9.622 ( 0.958 -0.000 0.000) 0.958 12.469 ( -33.035 0.000 0.000) 33.035 14.817 ( 33.224 -0.000 0.000) 33.224 17.569 ( -0.968 0.000 0.000) 0.968 18.163 ( -2.798 0.000 0.000) 2.798 18.970 ( -6.260 0.000 0.000) 6.260 19.940 ( -16.832 0.000 0.000) 16.832 20.042 ( 43.584 -0.000 0.000) 43.584 20.287 ( -12.753 0.000 0.000) 12.753 20.909 ( 13.626 -0.000 0.000) 13.626 22.324 ( -17.653 0.000 0.000) 17.653 24.024 ( -41.532 0.000 0.000) 41.532 24.076 ( 1.573 -0.000 0.000) 1.573 25.071 ( 7.064 -0.000 0.000) 7.064 26.799 ( 3.323 -0.000 0.000) 3.323 28.992 ( 10.538 -0.000 0.000) 10.538 30.926 ( 6.156 -0.000 0.000) 6.156 31.816 ( 0.577 -0.000 0.000) 0.577 32.426 ( 1.498 -0.000 0.000) 1.498 32.831 ( 1.197 -0.000 0.000) 1.197 36.423 ( 3.394 -0.000 0.000) 3.394 37.357 ( -2.212 0.000 0.000) 2.212 39.888 ( 1.091 -0.000 0.000) 1.091 43.552 ( 4.227 -0.000 0.000) 4.227 ======================= Grid point 88 (49/245) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 14.309 0.000) 14.309 1.539 ( 0.000 14.452 0.000) 14.452 1.729 ( -0.000 -12.877 0.000) 12.877 1.734 ( -0.000 -12.037 0.000) 12.037 2.562 ( 0.000 11.859 0.000) 11.859 2.640 ( -0.000 -2.684 0.000) 2.684 2.843 ( 0.000 2.699 0.000) 2.699 4.609 ( 0.000 0.932 0.000) 0.932 5.080 ( -0.000 -3.414 0.000) 3.414 5.296 ( -0.000 -0.391 0.000) 0.391 7.298 ( -0.000 -0.478 0.000) 0.478 8.088 ( 0.000 0.801 0.000) 0.801 9.617 ( 0.000 4.659 0.000) 4.659 12.107 ( 0.000 1.436 0.000) 1.436 15.140 ( 0.000 0.597 0.000) 0.597 17.556 ( 0.000 1.046 0.000) 1.046 18.129 ( 0.000 2.121 0.000) 2.121 18.934 ( -0.000 -5.133 0.000) 5.133 19.772 ( -0.000 -0.571 0.000) 0.571 20.172 ( -0.000 -2.123 0.000) 2.123 20.552 ( -0.000 -1.651 0.000) 1.651 21.071 ( -0.000 -0.023 0.000) 0.023 22.123 ( 0.000 1.390 0.000) 1.390 23.530 ( 0.000 0.383 0.000) 0.383 24.088 ( 0.000 0.708 0.000) 0.708 25.135 ( 0.000 0.637 0.000) 0.637 26.832 ( 0.000 1.399 0.000) 1.399 29.102 ( -0.000 -0.660 0.000) 0.660 30.986 ( -0.000 -0.237 0.000) 0.237 31.816 ( 0.000 0.829 0.000) 0.829 32.416 ( 0.000 8.074 0.000) 8.074 32.863 ( -0.000 -6.791 0.000) 6.791 36.457 ( -0.000 -0.699 0.000) 0.699 37.333 ( 0.000 0.740 0.000) 0.740 39.899 ( -0.000 -0.377 0.000) 0.377 43.594 ( 0.000 0.003 0.000) 0.003 ======================= Grid point 175 (50/245) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 0.000 0.000 22.770) 22.770 0.740 ( 0.000 0.000 35.712) 35.712 1.020 ( 0.000 0.000 49.058) 49.058 2.211 ( 0.000 0.000 1.672) 1.672 2.466 ( 0.000 0.000 -2.670) 2.670 2.482 ( 0.000 0.000 8.485) 8.485 4.463 ( 0.000 0.000 2.296) 2.296 4.946 ( 0.000 0.000 36.966) 36.966 4.979 ( 0.000 0.000 3.827) 3.827 5.327 ( 0.000 0.000 -3.079) 3.079 7.186 ( 0.000 0.000 -17.959) 17.959 7.885 ( 0.000 0.000 -3.673) 3.673 9.173 ( 0.000 0.000 36.334) 36.334 11.974 ( 0.000 0.000 13.848) 13.848 14.973 ( 0.000 0.000 -5.195) 5.195 16.467 ( 0.000 0.000 -15.478) 15.478 18.335 ( 0.000 0.000 -4.573) 4.573 19.606 ( 0.000 0.000 -12.584) 12.584 20.054 ( 0.000 0.000 18.435) 18.435 20.228 ( 0.000 0.000 15.720) 15.720 20.845 ( 0.000 0.000 -3.375) 3.375 21.023 ( 0.000 0.000 -5.192) 5.192 22.048 ( 0.000 0.000 25.765) 25.765 23.981 ( 0.000 0.000 4.342) 4.342 24.986 ( 0.000 0.000 -2.362) 2.362 25.892 ( 0.000 0.000 2.795) 2.795 26.538 ( 0.000 0.000 -3.592) 3.592 27.323 ( 0.000 0.000 -3.799) 3.799 31.074 ( 0.000 0.000 2.101) 2.101 31.620 ( 0.000 0.000 -1.473) 1.473 33.031 ( 0.000 0.000 14.247) 14.247 33.462 ( 0.000 0.000 9.781) 9.781 36.066 ( 0.000 0.000 -4.483) 4.483 36.561 ( 0.000 0.000 -7.106) 7.106 41.302 ( 0.000 0.000 5.997) 5.997 43.146 ( 0.000 0.000 -5.617) 5.617 ======================= Grid point 176 (51/245) ======================= q-point: ( 0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 16.213 -16.269 13.517) 26.650 0.721 ( 11.461 -4.636 18.618) 22.349 1.482 ( 31.953 -2.422 36.368) 48.472 2.263 ( 5.482 1.090 0.959) 5.671 2.452 ( -0.596 0.089 -1.358) 1.486 2.492 ( 1.134 0.103 7.141) 7.231 3.922 ( -30.631 5.767 92.677) 97.778 4.673 ( 8.770 4.679 5.869) 11.543 5.055 ( 1.180 -10.755 3.781) 11.461 5.464 ( 14.223 0.153 -2.991) 14.535 7.206 ( 2.438 0.110 -17.546) 17.715 7.885 ( -0.410 -1.344 -3.214) 3.507 9.130 ( -1.251 -3.822 37.504) 37.719 13.561 ( 82.985 23.577 -74.489) 113.978 14.708 ( -28.072 -0.336 -4.387) 28.414 16.539 ( 1.490 -18.138 -19.067) 26.358 18.273 ( -4.395 7.448 -1.724) 8.818 18.836 ( -53.896 -11.646 13.888) 56.862 19.994 ( -3.240 1.134 14.103) 14.515 20.176 ( 8.151 1.911 15.520) 17.634 20.979 ( 10.228 2.473 16.396) 19.482 21.129 ( 10.431 1.181 2.604) 10.816 22.184 ( 12.542 -1.934 20.718) 24.296 24.019 ( 3.527 -0.439 4.212) 5.511 24.903 ( -6.355 -0.428 -2.962) 7.024 26.258 ( 9.843 51.239 0.086) 52.176 26.498 ( 18.852 11.644 -17.463) 28.213 27.485 ( -6.924 -53.596 -14.858) 56.046 31.028 ( -4.792 0.074 1.746) 5.101 31.708 ( 5.689 -1.144 -2.314) 6.247 32.930 ( -3.288 22.696 8.812) 24.568 33.451 ( -2.760 -2.762 10.540) 11.240 36.104 ( -2.708 -14.645 -7.559) 16.702 36.606 ( 5.023 -2.098 -8.340) 9.959 40.721 ( -29.637 10.175 39.192) 50.178 43.161 ( -1.352 -5.793 -6.485) 8.800 ======================= Grid point 177 (52/245) ======================= q-point: ( 0.15 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 17.390 -13.723 6.016) 22.955 1.149 ( 24.255 -8.547 -3.948) 26.019 2.034 ( 22.274 -0.815 19.792) 29.808 2.381 ( 7.350 2.032 -0.077) 7.626 2.490 ( 6.516 -1.575 2.117) 7.030 2.539 ( 4.610 -0.748 5.252) 7.029 3.779 ( 8.678 -4.768 80.211) 80.820 4.917 ( 17.540 1.010 3.091) 17.839 5.173 ( 6.629 -4.805 3.308) 8.831 5.824 ( 23.530 0.274 -3.112) 23.737 7.278 ( 5.446 0.183 -16.469) 17.347 7.891 ( 0.214 -2.414 -1.944) 3.107 9.162 ( 0.793 -7.625 36.570) 37.365 13.967 ( -49.893 -0.139 -1.819) 49.926 14.152 ( 5.839 25.429 -44.710) 51.766 16.673 ( 0.238 -20.189 -18.915) 27.667 18.144 ( -2.263 2.296 1.477) 3.546 18.277 ( -17.862 -8.580 1.491) 19.871 20.000 ( 4.920 -0.964 9.725) 10.942 20.404 ( 17.033 5.392 4.008) 18.310 21.212 ( 17.341 5.497 22.793) 29.163 21.357 ( 15.053 4.556 10.820) 19.090 22.466 ( 14.278 -3.774 12.257) 19.192 24.092 ( 3.600 0.637 4.299) 5.644 24.743 ( -11.752 -0.988 -1.515) 11.891 25.910 ( -17.912 18.677 0.183) 25.879 26.802 ( 20.194 21.773 -10.823) 31.607 27.574 ( -9.321 -34.645 -11.831) 37.778 30.900 ( -8.660 0.038 0.584) 8.680 31.800 ( 3.185 -2.231 -0.773) 3.965 32.677 ( -10.169 19.067 6.411) 22.540 33.385 ( -4.882 0.078 12.098) 13.047 36.103 ( -4.386 -9.395 -6.993) 12.506 36.765 ( 8.827 -5.345 -11.332) 15.327 40.331 ( -11.096 4.114 32.230) 34.334 43.158 ( -1.763 -3.853 -6.274) 7.571 ======================= Grid point 178 (53/245) ======================= q-point: ( 0.23 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 13.693 -12.604 3.252) 18.892 1.642 ( 23.171 -5.542 -10.069) 25.865 2.232 ( 2.821 1.268 2.175) 3.781 2.468 ( 4.024 2.988 -1.270) 5.170 2.670 ( 8.916 -1.435 1.062) 9.093 2.809 ( 20.977 -3.757 8.962) 23.119 4.116 ( 20.552 -7.872 61.640) 65.451 5.278 ( 19.998 0.087 4.098) 20.414 5.351 ( 10.495 -2.702 3.087) 11.268 6.294 ( 25.887 0.331 -4.047) 26.203 7.408 ( 8.388 -0.147 -15.500) 17.625 7.932 ( 2.717 -3.630 0.119) 4.535 9.242 ( 2.359 -10.271 37.206) 38.669 12.923 ( -60.108 -0.282 2.517) 60.161 13.818 ( -24.232 12.837 -20.084) 33.990 16.806 ( 4.052 -15.683 -15.977) 22.752 18.030 ( -11.674 -1.266 -4.285) 12.499 18.216 ( 5.497 -2.146 -0.450) 5.918 20.191 ( 14.424 -1.333 7.407) 16.269 20.733 ( 21.543 6.056 -3.596) 22.665 21.535 ( 20.106 7.633 20.357) 29.613 21.622 ( 16.969 7.444 14.302) 23.407 22.719 ( 9.586 -5.331 4.352) 11.800 24.125 ( 0.791 3.011 5.660) 6.460 24.469 ( -18.057 -0.707 1.444) 18.129 25.433 ( -23.863 9.923 -2.219) 25.939 27.032 ( 14.307 8.269 -6.857) 17.891 27.583 ( -5.555 -19.861 -7.575) 21.971 30.714 ( -10.895 0.475 -1.256) 10.978 31.846 ( 0.235 -0.600 -5.094) 5.134 32.377 ( -11.255 11.469 10.387) 19.134 33.277 ( -5.847 2.000 13.501) 14.848 36.061 ( -4.277 -4.989 -6.542) 9.273 36.966 ( 8.791 -5.974 -12.943) 16.748 40.170 ( -5.525 2.291 25.215) 25.915 43.142 ( -1.943 -2.480 -6.223) 6.975 ======================= Grid point 179 (54/245) ======================= q-point: ( 0.31 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 10.054 -9.301 1.084) 13.739 2.050 ( 17.421 -2.437 -9.512) 19.998 2.241 ( -0.012 0.402 -0.706) 0.812 2.523 ( 3.472 1.538 -3.165) 4.943 2.849 ( 8.894 -1.376 -0.904) 9.045 3.196 ( 17.491 -2.490 1.564) 17.737 4.557 ( 20.615 -7.404 48.615) 53.321 5.527 ( 9.602 -1.005 3.467) 10.258 5.683 ( 19.736 -0.637 4.415) 20.234 6.749 ( 22.309 0.173 -5.743) 23.037 7.583 ( 9.662 -0.689 -15.578) 18.344 8.047 ( 7.375 -4.503 2.425) 8.975 9.364 ( 4.109 -10.944 39.458) 41.153 11.805 ( -58.220 -0.457 7.881) 58.753 13.239 ( -29.890 5.535 -9.594) 31.876 17.010 ( 8.429 -13.601 -15.626) 22.365 17.826 ( -9.913 1.076 -3.720) 10.643 18.318 ( 3.460 -1.499 2.226) 4.379 20.529 ( 20.361 -0.982 4.917) 20.969 21.109 ( 21.545 7.276 -6.292) 23.595 21.823 ( 15.447 8.741 11.374) 21.080 21.921 ( 19.153 6.532 17.666) 26.863 22.878 ( 4.103 -6.123 -2.975) 7.948 24.081 ( -11.163 3.531 5.652) 13.000 24.098 ( -13.209 1.057 7.919) 15.437 24.933 ( -24.674 4.118 -3.904) 25.318 27.246 ( 10.871 -0.350 -5.336) 12.114 27.606 ( -1.479 -11.368 -5.741) 12.821 30.502 ( -10.993 1.048 -3.408) 11.557 31.779 ( -6.187 5.816 -13.798) 16.201 32.188 ( -4.437 0.894 18.004) 18.564 33.153 ( -5.739 2.835 14.997) 16.306 36.007 ( -3.707 -2.523 -6.513) 7.907 37.147 ( 6.987 -5.178 -13.902) 16.398 40.076 ( -3.598 1.620 22.094) 22.444 43.116 ( -1.934 -1.525 -6.251) 6.719 ======================= Grid point 180 (55/245) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 6.873 -6.033 -0.431) 9.155 2.194 ( -0.697 1.320 -1.581) 2.174 2.356 ( 10.749 -0.228 -6.985) 12.821 2.577 ( 2.305 -0.917 -5.324) 5.874 3.002 ( 6.439 -1.125 -1.867) 6.798 3.473 ( 10.981 -1.179 -5.587) 12.377 4.927 ( 14.513 -4.946 41.038) 43.808 5.687 ( 6.816 -0.418 3.578) 7.709 6.012 ( 14.490 -0.364 4.344) 15.132 7.102 ( 15.169 -0.112 -7.181) 16.783 7.755 ( 7.742 -0.903 -16.922) 18.631 8.257 ( 12.001 -4.272 2.913) 13.067 9.509 ( 4.833 -8.698 43.114) 44.247 10.818 ( -46.338 -0.112 14.062) 48.425 12.703 ( -23.822 2.528 -5.701) 24.625 17.245 ( 8.671 -10.058 -14.921) 19.974 17.657 ( -7.353 1.130 -3.731) 8.322 18.362 ( 0.979 -0.461 5.858) 5.957 20.926 ( 20.478 -1.291 2.268) 20.643 21.405 ( 14.081 8.547 -5.479) 17.360 22.034 ( 12.632 7.868 8.470) 17.124 22.221 ( 14.916 2.872 11.389) 18.985 22.956 ( 1.477 -5.361 -7.186) 9.086 23.671 ( -22.061 -0.262 11.595) 24.924 23.991 ( -5.419 5.209 8.052) 11.015 24.512 ( -17.692 -0.168 -3.707) 18.077 27.430 ( 7.236 -3.467 -4.747) 9.323 27.649 ( 0.576 -5.714 -5.378) 7.868 30.309 ( -8.487 1.186 -5.285) 10.069 31.603 ( -7.083 6.328 -14.179) 17.067 32.162 ( -0.333 -2.645 17.023) 17.231 33.041 ( -4.329 2.516 16.462) 17.206 35.958 ( -2.573 -1.135 -6.571) 7.147 37.280 ( 4.416 -3.532 -14.565) 15.624 40.014 ( -2.268 1.066 20.859) 21.009 43.090 ( -1.485 -0.807 -6.282) 6.506 ======================= Grid point 181 (56/245) ======================= q-point: ( 0.46 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 4.169 -3.364 -0.883) 5.429 2.154 ( -2.353 1.759 -1.527) 3.311 2.497 ( 4.295 1.180 -4.989) 6.688 2.611 ( 0.443 -1.519 -7.757) 7.916 3.090 ( 2.357 -0.454 -2.133) 3.212 3.615 ( 3.736 -0.316 -9.571) 10.279 5.133 ( 5.176 -1.698 37.803) 38.194 5.777 ( 2.478 -0.092 3.709) 4.462 6.203 ( 5.381 -0.116 4.017) 6.716 7.300 ( 5.530 -0.102 -7.606) 9.404 7.862 ( 2.942 -0.431 -18.418) 18.657 8.493 ( 8.634 -2.068 -0.323) 8.884 9.618 ( 2.380 -3.374 46.512) 46.695 10.161 ( -20.786 0.283 20.736) 29.362 12.373 ( -9.344 0.845 -4.982) 10.623 17.425 ( 6.098 -4.260 -11.414) 13.624 17.538 ( -5.218 0.929 -6.680) 8.528 18.372 ( 0.133 -0.066 7.752) 7.754 21.250 ( 11.068 -1.996 2.398) 11.499 21.518 ( 2.728 5.527 -7.856) 9.985 22.190 ( 6.362 3.459 6.330) 9.618 22.407 ( 5.261 0.410 3.588) 6.381 23.045 ( 7.227 -3.244 -0.805) 7.963 23.294 ( -17.516 0.877 12.877) 21.758 23.862 ( -4.115 2.069 4.440) 6.398 24.306 ( -5.141 -0.702 0.139) 5.191 27.540 ( 2.573 -2.000 -4.541) 5.589 27.682 ( 0.521 -1.521 -5.511) 5.741 30.191 ( -3.265 0.538 -6.363) 7.172 31.482 ( -2.758 2.401 -13.508) 13.995 32.175 ( 0.125 -1.231 15.358) 15.408 32.973 ( -1.639 1.028 17.450) 17.557 35.928 ( -0.925 -0.318 -6.608) 6.680 37.349 ( 1.506 -1.260 -14.929) 15.057 39.981 ( -0.796 0.380 20.453) 20.472 43.073 ( -0.563 -0.248 -6.298) 6.328 ======================= Grid point 189 (57/245) ======================= q-point: ( 0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 19.262 -0.000 7.877) 20.810 1.108 ( 26.219 -0.000 -5.334) 26.756 2.030 ( 23.729 -0.000 21.197) 31.818 2.393 ( 7.160 -0.000 -0.761) 7.200 2.478 ( 6.228 -0.000 1.751) 6.469 2.537 ( 3.903 -0.000 5.368) 6.637 3.751 ( 7.432 -0.000 81.964) 82.300 4.925 ( 16.928 -0.000 2.907) 17.176 5.142 ( 8.247 -0.000 3.602) 8.999 5.826 ( 23.521 -0.000 -3.103) 23.725 7.279 ( 5.373 -0.000 -17.014) 17.842 7.877 ( 0.177 -0.000 -2.048) 2.056 9.118 ( 0.894 -0.000 36.582) 36.593 13.966 ( -49.910 0.000 -1.806) 49.943 14.314 ( -1.436 0.000 -53.679) 53.698 16.542 ( 4.474 -0.000 -15.430) 16.065 18.183 ( -7.700 0.000 -4.406) 8.872 18.203 ( -10.895 0.000 8.847) 14.035 19.994 ( 4.657 -0.000 10.408) 11.402 20.436 ( 16.682 -0.000 3.360) 17.017 21.245 ( 17.512 -0.000 23.128) 29.010 21.383 ( 15.476 -0.000 11.122) 19.058 22.444 ( 14.270 -0.000 12.330) 18.859 24.096 ( 4.135 -0.000 4.375) 6.020 24.737 ( -11.630 0.000 -1.407) 11.715 26.015 ( -23.728 0.000 -1.955) 23.808 27.090 ( 17.504 -0.000 -19.428) 26.150 27.217 ( -3.789 0.000 -3.235) 4.982 30.900 ( -8.640 0.000 0.971) 8.694 31.786 ( 3.310 -0.000 0.623) 3.368 32.803 ( -14.564 0.000 1.746) 14.668 33.381 ( -4.125 0.000 10.757) 11.521 36.040 ( -1.428 0.000 -4.906) 5.109 36.735 ( 9.035 -0.000 -10.533) 13.877 40.356 ( -12.721 0.000 33.336) 35.681 43.135 ( -0.676 0.000 -5.721) 5.761 ======================= Grid point 190 (58/245) ======================= q-point: ( 0.15 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 16.437 -5.168 3.987) 17.686 1.599 ( 24.800 -1.873 -11.163) 27.261 2.243 ( 2.496 0.595 2.104) 3.319 2.491 ( 3.599 1.025 -1.221) 3.936 2.660 ( 8.822 -0.405 1.225) 8.916 2.778 ( 21.838 -1.527 9.301) 23.785 4.051 ( 20.835 -3.111 63.864) 67.249 5.283 ( 20.433 0.674 3.784) 20.791 5.324 ( 10.725 -1.774 3.427) 11.398 6.296 ( 25.847 0.118 -4.113) 26.172 7.407 ( 8.167 -0.078 -16.198) 18.141 7.903 ( 2.611 -1.353 0.116) 2.943 9.162 ( 2.837 -3.596 37.001) 37.284 12.920 ( -60.180 -0.107 2.338) 60.225 13.925 ( -30.510 5.172 -22.760) 38.414 16.675 ( 7.425 -6.251 -15.678) 18.439 18.022 ( -9.610 -0.288 -4.403) 10.574 18.199 ( 5.364 -0.773 -1.230) 5.557 20.180 ( 14.706 -0.492 9.265) 17.389 20.779 ( 20.797 1.965 -5.585) 21.624 21.599 ( 20.201 3.079 21.615) 29.745 21.679 ( 16.527 2.483 13.876) 21.722 22.677 ( 9.601 -1.976 4.348) 10.723 24.150 ( 1.631 1.193 5.694) 6.042 24.463 ( -17.842 -0.295 2.049) 17.961 25.515 ( -27.633 3.921 -3.151) 28.087 27.137 ( 4.069 8.802 -4.472) 10.678 27.385 ( 5.561 -13.149 -10.128) 17.504 30.716 ( -10.840 0.026 -0.598) 10.857 31.835 ( 1.499 -0.707 -1.367) 2.148 32.486 ( -15.703 5.850 4.670) 17.396 33.290 ( -5.527 0.376 12.138) 13.342 36.015 ( -2.360 -2.507 -5.490) 6.480 36.920 ( 9.579 -2.078 -12.324) 15.747 40.188 ( -6.212 0.867 25.959) 26.706 43.121 ( -1.170 -0.963 -5.891) 6.082 ======================= Grid point 191 (59/245) ======================= q-point: ( 0.23 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 12.581 -5.590 1.492) 13.847 2.027 ( 19.532 -1.405 -10.764) 22.346 2.246 ( -0.619 0.420 -0.927) 1.192 2.538 ( 2.288 0.913 -2.722) 3.671 2.835 ( 8.917 -0.970 -1.331) 9.068 3.174 ( 18.497 -1.352 2.456) 18.708 4.486 ( 21.906 -4.690 50.750) 55.474 5.516 ( 9.886 -0.781 3.540) 10.529 5.677 ( 19.982 -0.373 4.335) 20.450 6.751 ( 22.171 0.120 -6.011) 22.971 7.576 ( 9.469 -0.443 -16.097) 18.681 8.005 ( 7.457 -2.660 2.762) 8.385 9.266 ( 5.336 -6.018 38.972) 39.793 11.801 ( -58.165 -0.257 7.598) 58.660 13.290 ( -32.666 3.173 -10.163) 34.358 16.886 ( 10.715 -7.726 -15.715) 20.530 17.839 ( -9.350 1.021 -3.884) 10.176 18.303 ( 4.086 -1.014 0.665) 4.262 20.519 ( 20.451 -0.603 7.859) 21.917 21.169 ( 21.551 3.380 -9.771) 23.902 21.912 ( 15.492 6.596 13.649) 21.675 21.974 ( 16.777 2.450 16.271) 23.499 22.821 ( 4.470 -3.611 -2.791) 6.388 24.086 ( -22.252 -0.340 6.561) 23.201 24.139 ( -1.240 3.465 8.032) 8.835 24.972 ( -27.758 2.595 -4.601) 28.256 27.208 ( 4.217 -4.826 -3.428) 7.268 27.535 ( 6.542 -2.118 -7.789) 10.390 30.507 ( -11.180 0.097 -2.651) 11.490 31.822 ( -3.817 1.959 -10.848) 11.666 32.216 ( -8.740 3.106 13.864) 16.681 33.176 ( -5.905 1.274 13.888) 15.145 35.980 ( -2.663 -1.997 -5.966) 6.832 37.101 ( 8.040 -2.865 -13.515) 15.984 40.091 ( -3.995 0.929 22.428) 22.800 43.102 ( -1.404 -0.895 -6.060) 6.285 ======================= Grid point 192 (60/245) ======================= q-point: ( 0.31 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 8.894 -4.248 -0.239) 9.860 2.208 ( -0.782 1.058 -1.158) 1.753 2.354 ( 12.636 -0.082 -8.753) 15.371 2.568 ( 1.037 -0.660 -4.611) 4.772 2.988 ( 6.521 -1.232 -2.426) 7.066 3.464 ( 11.770 -0.585 -4.715) 12.693 4.876 ( 16.400 -3.849 42.532) 45.747 5.681 ( 7.022 -0.541 3.635) 7.925 6.008 ( 14.646 -0.258 4.257) 15.254 7.101 ( 15.094 -0.040 -7.600) 16.900 7.746 ( 7.831 -0.697 -17.143) 18.860 8.213 ( 12.669 -3.244 3.686) 13.587 9.422 ( 7.197 -6.197 42.468) 43.517 10.817 ( -45.990 -0.056 13.647) 47.972 12.728 ( -24.931 1.815 -5.622) 25.621 17.145 ( 11.831 -7.101 -15.347) 20.638 17.673 ( -7.476 1.393 -3.421) 8.338 18.355 ( 1.227 -0.636 4.523) 4.729 20.913 ( 20.127 -1.002 5.423) 20.869 21.486 ( 13.458 5.296 -8.370) 16.710 22.117 ( 10.841 6.677 6.851) 14.459 22.245 ( 12.674 1.007 11.979) 17.468 22.902 ( 2.583 -3.977 -6.107) 7.732 23.668 ( -21.857 -0.300 12.966) 25.415 24.062 ( -4.357 6.689 7.736) 11.117 24.500 ( -20.662 -1.785 -4.401) 21.201 27.326 ( 3.098 -10.675 -3.412) 11.627 27.661 ( 7.542 4.106 -6.835) 10.975 30.313 ( -9.225 -0.241 -4.624) 10.322 31.671 ( -8.258 5.118 -15.178) 18.021 32.140 ( -0.369 -1.176 17.407) 17.451 33.064 ( -5.007 1.490 15.661) 16.510 35.944 ( -2.036 -1.213 -6.289) 6.721 37.245 ( 5.692 -2.425 -14.334) 15.612 40.024 ( -2.649 0.757 20.964) 21.144 43.082 ( -1.110 -0.585 -6.187) 6.313 ======================= Grid point 193 (61/245) ======================= q-point: ( 0.38 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 5.706 -2.552 -1.182) 6.361 2.174 ( -1.835 1.655 -0.913) 2.634 2.511 ( 3.323 1.363 -5.405) 6.489 2.593 ( 1.790 -1.635 -7.735) 8.106 3.081 ( 2.601 -1.043 -2.520) 3.769 3.615 ( 4.317 0.197 -9.141) 10.111 5.115 ( 7.230 -1.386 38.317) 39.018 5.774 ( 2.527 -0.320 3.707) 4.498 6.202 ( 5.518 -0.095 3.988) 6.809 7.299 ( 5.664 -0.011 -7.850) 9.680 7.857 ( 3.377 -0.416 -18.442) 18.754 8.469 ( 10.584 -2.028 0.355) 10.782 9.579 ( 5.924 -3.192 46.096) 46.585 10.164 ( -20.886 0.280 20.323) 29.143 12.383 ( -10.189 0.895 -4.780) 11.290 17.380 ( 9.557 -3.379 -12.885) 16.394 17.552 ( -4.709 1.289 -5.189) 7.125 18.367 ( -0.017 -0.607 7.023) 7.049 21.232 ( 11.928 -1.267 3.588) 12.520 21.568 ( -2.240 3.271 -7.716) 8.675 22.223 ( 2.190 2.315 3.242) 4.546 22.411 ( 4.878 0.372 4.317) 6.525 23.011 ( 8.834 -2.586 1.305) 9.297 23.304 ( -16.274 0.875 12.788) 20.715 23.915 ( -4.956 6.834 3.454) 9.121 24.279 ( -5.541 -4.106 0.520) 6.917 27.426 ( 0.257 -11.945 -3.527) 12.457 27.761 ( 6.976 9.365 -6.623) 13.425 30.185 ( -4.579 -1.363 -5.995) 7.666 31.516 ( -4.936 3.333 -13.986) 15.201 32.163 ( 1.457 -0.824 15.619) 15.709 32.983 ( -2.813 0.625 17.122) 17.363 35.923 ( -0.636 -0.610 -6.503) 6.562 37.336 ( 2.982 -0.931 -14.848) 15.173 39.985 ( -1.230 0.312 20.470) 20.510 43.071 ( -0.270 -0.212 -6.269) 6.278 ======================= Grid point 194 (62/245) ======================= q-point: (-0.54 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -1.838 3.192 -0.218) 3.690 2.136 ( 2.123 -1.131 -2.293) 3.323 2.484 ( -4.756 -1.032 -4.684) 6.754 2.627 ( 0.453 1.315 -7.680) 7.805 3.091 ( -2.071 -0.371 -2.062) 2.946 3.622 ( -3.153 0.868 -9.875) 10.403 5.152 ( -3.179 1.639 37.253) 37.424 5.776 ( -2.467 -0.211 3.659) 4.418 6.205 ( -5.235 0.112 4.063) 6.628 7.301 ( -5.397 0.197 -7.471) 9.218 7.867 ( -2.485 0.333 -18.346) 18.517 8.514 ( -6.534 1.579 -0.888) 6.781 9.653 ( 1.512 2.672 46.821) 46.921 10.158 ( 20.670 -0.216 21.102) 29.539 12.365 ( 8.364 -0.554 -5.054) 9.788 17.465 ( -3.235 1.960 -4.768) 6.086 17.541 ( 6.739 2.147 -13.214) 14.988 18.368 ( -0.265 -0.715 7.807) 7.844 21.275 ( -10.740 2.207 0.615) 10.981 21.447 ( -7.021 -6.400 -6.773) 11.667 22.146 ( -10.526 -4.146 10.333) 15.322 22.402 ( -6.201 -0.391 2.140) 6.571 23.083 ( -5.706 3.273 -2.926) 7.199 23.285 ( 18.698 -0.653 12.616) 22.566 23.868 ( 2.966 2.924 5.454) 6.863 24.296 ( 5.037 -2.442 -0.245) 5.603 27.458 ( -3.888 -10.333 -3.574) 11.605 27.807 ( 5.113 14.195 -6.530) 16.440 30.171 ( 1.900 -2.863 -6.416) 7.278 31.465 ( 0.441 -0.560 -13.183) 13.203 32.190 ( 1.448 1.401 15.056) 15.190 32.960 ( 0.292 -1.262 17.805) 17.852 35.930 ( 1.181 -0.096 -6.652) 6.757 37.364 ( 0.053 1.314 -15.020) 15.078 39.976 ( 0.336 -0.362 20.436) 20.442 43.076 ( 0.871 0.226 -6.328) 6.392 ======================= Grid point 195 (63/245) ======================= q-point: (-0.46 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -4.750 6.479 -0.629) 8.059 2.179 ( 0.765 -1.172 -2.003) 2.443 2.359 ( -8.867 0.198 -4.993) 10.178 2.589 ( -3.509 1.064 -6.054) 7.078 3.011 ( -6.261 0.446 -1.399) 6.430 3.490 ( -10.118 1.745 -6.556) 12.182 4.984 ( -12.674 4.733 39.383) 41.642 5.689 ( -6.682 -0.012 3.500) 7.543 6.016 ( -14.305 0.386 4.462) 14.989 7.104 ( -15.252 0.216 -6.787) 16.695 7.765 ( -7.656 0.863 -16.637) 18.335 8.306 ( -11.193 4.160 2.046) 12.115 9.612 ( -1.709 9.087 43.843) 44.808 10.819 ( 46.748 0.167 14.517) 48.951 12.673 ( 22.369 -2.638 -5.737) 23.243 17.360 ( -4.953 9.234 -12.654) 16.429 17.657 ( 7.651 1.754 -5.842) 9.785 18.364 ( -0.666 -0.232 6.838) 6.874 20.933 ( -21.751 -0.780 -3.215) 22.001 21.306 ( -14.403 -7.703 -0.092) 16.333 21.935 ( -14.841 -9.532 12.472) 21.602 22.188 ( -17.041 -2.709 8.995) 19.459 23.019 ( -0.345 5.403 -8.547) 10.118 23.673 ( 22.054 0.161 9.696) 24.092 23.951 ( 4.941 -1.569 9.382) 10.719 24.503 ( 16.037 -1.695 -3.567) 16.517 27.391 ( -8.789 -7.198 -4.033) 12.055 27.799 ( 4.151 17.230 -6.092) 18.741 30.282 ( 7.679 -3.617 -5.755) 10.256 31.537 ( 5.254 -5.029 -12.904) 14.812 32.199 ( 1.194 3.717 16.171) 16.635 33.008 ( 3.301 -3.277 17.455) 18.064 35.968 ( 3.003 0.582 -6.778) 7.436 37.323 ( -2.903 3.851 -14.838) 15.602 40.001 ( 1.816 -1.131 20.741) 20.851 43.100 ( 1.920 0.834 -6.395) 6.729 ======================= Grid point 196 (64/245) ======================= q-point: (-0.38 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -7.394 10.218 0.270) 12.616 2.081 ( -13.779 2.962 -7.316) 15.880 2.238 ( -1.104 0.031 -0.379) 1.167 2.504 ( -5.231 -1.722 -3.963) 6.785 2.864 ( -8.703 1.153 -0.409) 8.789 3.229 ( -16.232 3.249 0.376) 16.558 4.645 ( -19.179 7.618 45.926) 50.350 5.537 ( -9.289 0.564 3.382) 9.902 5.691 ( -19.478 0.725 4.554) 20.016 6.747 ( -22.512 -0.121 -5.407) 23.153 7.591 ( -9.957 0.696 -14.892) 17.928 8.103 ( -7.254 5.076 1.932) 9.063 9.507 ( -2.171 13.561 40.141) 42.425 11.811 ( 58.269 0.554 8.253) 58.853 13.169 ( 26.321 -6.564 -8.812) 28.523 17.182 ( -5.713 15.722 -15.081) 22.522 17.823 ( 10.992 0.936 -4.023) 11.742 18.334 ( -2.528 1.272 4.006) 4.905 20.535 ( -20.459 -0.571 -0.387) 20.471 21.010 ( -21.609 -9.204 0.656) 23.497 21.713 ( -15.590 -10.766 11.008) 21.912 21.839 ( -22.090 -7.002 16.631) 28.523 22.955 ( -3.547 7.008 -3.472) 8.587 24.028 ( 4.403 -4.363 7.042) 9.381 24.101 ( 20.337 0.389 5.104) 20.972 24.883 ( 21.376 -4.542 -3.029) 22.062 27.216 ( -13.523 -4.874 -5.170) 15.276 27.785 ( 5.795 18.632 -5.792) 20.354 30.479 ( 10.818 -3.126 -4.179) 12.011 31.696 ( 6.949 -7.893 -13.324) 16.974 32.203 ( 2.076 3.499 18.722) 19.159 33.112 ( 5.213 -4.381 16.455) 17.809 36.032 ( 4.540 1.745 -6.951) 8.484 37.214 ( -5.524 6.284 -14.398) 16.652 40.055 ( 3.078 -1.917 21.663) 21.965 43.135 ( 2.606 1.745 -6.503) 7.220 ======================= Grid point 197 (65/245) ======================= q-point: (-0.31 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -12.442 12.826 0.115) 17.869 1.730 ( -18.071 10.389 -5.954) 21.678 2.217 ( -3.037 -1.176 2.152) 3.903 2.425 ( -5.111 -4.427 -1.686) 6.969 2.691 ( -8.362 2.054 0.953) 8.664 2.860 ( -20.127 4.980 8.468) 22.396 4.218 ( -20.112 9.453 58.148) 62.250 5.282 ( -20.053 0.770 4.369) 20.538 5.379 ( -9.587 1.891 2.804) 10.166 6.289 ( -25.998 -0.460 -3.913) 26.295 7.409 ( -8.774 0.064 -14.357) 16.826 7.982 ( -2.914 4.825 0.060) 5.637 9.390 ( -1.417 15.120 37.609) 40.559 12.927 ( 59.966 0.354 2.827) 60.034 13.652 ( 16.114 -15.443 -16.240) 27.602 17.009 ( -1.182 18.959 -15.793) 24.704 18.055 ( 15.262 3.377 -4.424) 16.245 18.247 ( -5.271 3.077 0.914) 6.171 20.206 ( -14.194 0.776 3.365) 14.609 20.643 ( -22.378 -9.354 1.558) 24.304 21.438 ( -20.545 -8.756 18.174) 28.794 21.512 ( -17.313 -11.716 14.492) 25.436 22.793 ( -9.558 7.233 4.277) 12.726 24.086 ( 0.469 -3.552 5.635) 6.678 24.478 ( 18.454 0.680 0.151) 18.468 25.304 ( 17.681 -11.976 -0.825) 21.371 26.954 ( -17.408 -5.642 -6.805) 19.524 27.820 ( 10.479 21.228 -7.260) 24.762 30.701 ( 11.048 -1.893 -2.157) 11.415 31.831 ( 2.480 -3.846 -10.888) 11.810 32.272 ( 5.640 -5.118 18.651) 20.146 33.241 ( 5.755 -4.324 15.415) 17.013 36.114 ( 5.863 3.789 -7.410) 10.180 37.051 ( -7.262 8.492 -13.894) 17.830 40.139 ( 4.518 -2.995 24.036) 24.640 43.174 ( 3.019 3.098 -6.731) 8.001 ======================= Grid point 198 (66/245) ======================= q-point: (-0.23 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -21.457 10.150 -2.444) 23.862 1.350 ( -12.734 22.702 4.215) 26.369 2.052 ( -18.014 2.341 15.859) 24.114 2.347 ( -6.880 -4.075 0.394) 8.006 2.505 ( -10.141 1.062 6.055) 11.859 2.562 ( -4.646 3.220 3.315) 6.553 3.854 ( -11.212 7.901 75.908) 77.137 4.911 ( -18.118 0.162 3.313) 18.419 5.231 ( -4.294 4.517 2.836) 6.848 5.820 ( -23.581 -0.564 -3.112) 23.792 7.275 ( -5.587 -0.369 -15.050) 16.058 7.929 ( -0.363 4.008 -1.734) 4.382 9.287 ( -0.478 14.125 36.592) 39.226 13.815 ( -16.648 -30.424 -29.297) 45.399 13.971 ( 49.821 0.219 -1.699) 49.850 16.929 ( 3.880 22.237 -21.053) 30.867 18.140 ( -2.295 1.496 1.873) 3.319 18.387 ( 26.075 10.641 -2.642) 28.286 20.010 ( -6.229 0.381 7.428) 9.702 20.319 ( -17.243 -8.949 6.368) 20.444 21.127 ( -17.029 -9.013 21.690) 29.012 21.282 ( -13.762 -8.456 10.019) 19.007 22.525 ( -14.348 6.384 12.066) 19.804 24.083 ( -2.201 -0.936 4.103) 4.749 24.758 ( 12.152 1.664 -1.888) 12.410 25.620 ( 0.911 -29.326 4.304) 29.654 26.656 ( -16.562 -5.432 -9.360) 19.784 27.934 ( 16.521 28.157 -12.828) 35.076 30.897 ( 8.741 -0.758 -0.261) 8.778 31.827 ( -2.696 1.879 -5.083) 6.053 32.449 ( 4.663 -17.782 16.095) 24.434 33.366 ( 5.081 -3.358 14.667) 15.882 36.207 ( 7.543 7.336 -9.027) 13.864 36.857 ( -7.322 10.514 -13.509) 18.619 40.272 ( 7.820 -5.839 29.525) 31.096 43.213 ( 3.690 5.204 -7.384) 9.759 ======================= Grid point 199 (67/245) ======================= q-point: (-0.15 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -10.379 11.803 15.890) 22.350 0.979 ( -10.392 29.657 9.927) 32.956 1.542 ( -29.124 8.763 33.162) 44.997 2.239 ( -5.439 -2.936 1.334) 6.323 2.433 ( -1.370 -3.643 3.650) 5.336 2.506 ( -0.392 2.719 2.796) 3.919 3.838 ( 14.163 -6.499 92.313) 93.619 4.631 ( -12.133 -1.725 3.511) 12.748 5.196 ( 6.579 10.628 2.786) 12.806 5.460 ( -14.228 -0.479 -3.067) 14.563 7.205 ( -2.191 -0.104 -16.251) 16.399 7.912 ( 0.600 3.276 -2.810) 4.358 9.216 ( 0.833 11.165 37.164) 38.814 13.183 ( -75.155 -35.228 -36.851) 90.815 14.716 ( 28.417 0.915 -4.451) 28.778 16.829 ( -0.076 27.017 -29.220) 39.796 18.172 ( 2.572 -7.752 5.190) 9.677 19.016 ( 50.490 16.473 -3.352) 53.215 19.960 ( -1.647 -5.395 13.498) 14.629 20.142 ( -3.248 -3.223 13.656) 14.402 20.925 ( -9.618 -6.656 15.929) 19.762 21.104 ( -8.560 -3.201 2.062) 9.369 22.225 ( -12.665 5.086 20.197) 24.376 24.029 ( -2.836 1.218 4.018) 5.066 24.911 ( 5.183 0.690 -2.554) 5.819 25.522 ( -41.095 -60.654 18.420) 75.544 26.491 ( -0.524 3.172 -10.498) 10.979 28.073 ( 17.840 43.006 -26.924) 53.784 31.025 ( 4.485 -0.469 1.233) 4.675 31.730 ( -5.988 2.492 -3.909) 7.573 32.601 ( -2.589 -27.795 23.845) 36.714 33.460 ( 3.164 -1.753 14.002) 14.462 36.306 ( 8.928 14.124 -14.902) 22.389 36.675 ( -5.042 11.259 -12.628) 17.654 40.547 ( 16.397 -17.133 37.954) 44.754 43.255 ( 5.157 8.862 -9.878) 14.237 ======================= Grid point 200 (68/245) ======================= q-point: (-0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 0.000 30.127 15.440) 33.853 0.793 ( 0.000 8.905 32.724) 33.914 1.072 ( 0.000 10.371 45.740) 46.901 2.200 ( -0.000 -2.011 1.821) 2.713 2.446 ( -0.000 -3.428 3.542) 4.929 2.493 ( 0.000 1.826 2.707) 3.265 4.359 ( -0.000 -49.381 70.552) 86.116 4.472 ( 0.000 1.511 2.236) 2.698 5.321 ( 0.000 16.289 -1.828) 16.392 5.324 ( -0.000 -0.487 -3.057) 3.095 7.188 ( 0.000 0.394 -17.357) 17.362 7.905 ( 0.000 2.952 -3.503) 4.581 9.197 ( 0.000 5.265 37.699) 38.064 11.988 ( 0.000 2.464 13.732) 13.951 14.979 ( 0.000 1.013 -5.281) 5.377 16.661 ( 0.000 27.511 -26.999) 38.546 18.259 ( -0.000 -10.808 1.844) 10.964 19.623 ( 0.000 1.317 -13.525) 13.589 20.002 ( -0.000 -7.570 18.584) 20.066 20.260 ( 0.000 3.377 8.590) 9.230 20.827 ( -0.000 -3.005 -3.177) 4.373 21.024 ( 0.000 0.061 -5.120) 5.121 22.069 ( 0.000 3.461 25.360) 25.595 23.989 ( 0.000 1.456 4.240) 4.483 24.992 ( 0.000 1.031 -2.490) 2.695 25.195 ( -0.000 -77.134 52.322) 93.205 26.504 ( 0.000 0.713 -7.797) 7.829 27.963 ( 0.000 64.968 -38.918) 75.732 31.069 ( -0.000 -0.786 2.175) 2.313 31.632 ( 0.000 1.977 -1.523) 2.496 32.731 ( -0.000 -35.698 33.465) 48.931 33.494 ( 0.000 1.010 12.413) 12.454 36.294 ( 0.000 27.355 -22.417) 35.367 36.576 ( 0.000 4.374 -8.063) 9.173 40.988 ( -0.000 -40.537 29.425) 50.090 43.263 ( 0.000 13.598 -14.439) 19.834 ======================= Grid point 203 (69/245) ======================= q-point: ( 0.15 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 13.626 -0.000 1.623) 13.723 2.019 ( 20.233 -0.000 -11.167) 23.111 2.249 ( -0.815 0.000 -1.010) 1.298 2.543 ( 1.867 -0.000 -2.587) 3.191 2.829 ( 8.902 -0.000 -1.497) 9.027 3.166 ( 18.890 -0.000 2.787) 19.094 4.458 ( 22.435 -0.000 51.573) 56.242 5.512 ( 10.004 -0.000 3.569) 10.622 5.675 ( 20.081 -0.000 4.308) 20.538 6.751 ( 22.122 -0.000 -6.113) 22.951 7.573 ( 9.404 -0.000 -16.290) 18.810 7.990 ( 7.485 -0.000 2.880) 8.020 9.231 ( 5.746 -0.000 38.796) 39.220 11.800 ( -58.142 0.000 7.491) 58.622 13.309 ( -33.727 0.000 -10.373) 35.287 16.841 ( 11.627 -0.000 -15.728) 19.559 17.846 ( -9.186 0.000 -3.971) 10.007 18.297 ( 4.310 -0.000 0.046) 4.310 20.516 ( 20.492 -0.000 8.824) 22.311 21.188 ( 21.551 -0.000 -10.790) 24.102 21.959 ( 16.529 -0.000 16.637) 23.452 21.980 ( 14.894 -0.000 13.568) 20.147 22.800 ( 4.599 -0.000 -2.771) 5.370 24.084 ( -22.246 0.000 6.968) 23.312 24.160 ( -0.790 0.000 7.996) 8.035 24.988 ( -29.059 0.000 -4.879) 29.466 27.175 ( 1.798 -0.000 -2.505) 3.083 27.528 ( 9.513 -0.000 -8.766) 12.936 30.507 ( -11.260 0.000 -2.344) 11.502 31.831 ( -2.667 0.000 -8.983) 9.371 32.237 ( -10.800 0.000 11.505) 15.780 33.183 ( -5.905 0.000 13.457) 14.695 35.967 ( -2.155 0.000 -5.702) 6.096 37.084 ( 8.411 -0.000 -13.370) 15.796 40.096 ( -4.145 0.000 22.554) 22.932 43.097 ( -1.200 0.000 -5.989) 6.108 ======================= Grid point 204 (70/245) ======================= q-point: ( 0.23 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 10.140 -1.527 -0.120) 10.255 2.216 ( -0.898 0.402 -0.929) 1.353 2.354 ( 13.887 0.008 -9.742) 16.963 2.563 ( 0.170 -0.251 -4.182) 4.193 2.977 ( 6.551 -0.536 -2.792) 7.141 3.459 ( 12.245 -0.165 -4.213) 12.951 4.844 ( 17.632 -1.468 43.432) 46.898 5.676 ( 7.174 -0.244 3.663) 8.059 6.006 ( 14.734 -0.093 4.212) 15.325 7.101 ( 15.050 -0.009 -7.876) 16.986 7.740 ( 7.891 -0.263 -17.262) 18.982 8.187 ( 13.044 -1.214 4.146) 13.741 9.373 ( 8.432 -2.234 42.089) 42.984 10.816 ( -45.790 -0.016 13.396) 47.710 12.743 ( -25.519 0.659 -5.561) 26.126 17.089 ( 13.632 -2.523 -15.384) 20.710 17.685 ( -7.648 0.571 -3.442) 8.406 18.349 ( 1.363 -0.287 3.586) 3.848 20.905 ( 20.029 -0.328 6.940) 21.200 21.525 ( 13.178 1.666 -9.661) 16.425 22.182 ( 9.010 4.148 6.895) 12.080 22.242 ( 11.960 -1.311 11.426) 16.593 22.870 ( 3.290 -1.468 -5.504) 6.578 23.665 ( -21.654 -0.129 13.643) 25.593 24.125 ( -2.123 3.387 8.339) 9.247 24.480 ( -24.063 -1.331 -5.474) 24.714 27.236 ( 2.932 -4.347 -2.619) 5.861 27.700 ( 9.431 1.934 -7.731) 12.348 30.309 ( -9.687 -0.278 -4.168) 10.549 31.712 ( -8.547 1.893 -15.483) 17.786 32.133 ( -0.937 -0.213 17.285) 17.312 33.075 ( -5.326 0.480 15.202) 16.115 35.933 ( -1.634 -0.531 -6.076) 6.314 37.226 ( 6.412 -0.855 -14.203) 15.607 40.030 ( -2.867 0.273 21.026) 21.223 43.077 ( -0.893 -0.214 -6.131) 6.200 ======================= Grid point 205 (71/245) ======================= q-point: ( 0.31 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 6.752 -1.349 -1.302) 7.007 2.189 ( -1.361 1.014 -0.464) 1.760 2.528 ( 1.231 1.453 -5.575) 5.891 2.574 ( 4.101 -1.588 -7.836) 8.985 3.070 ( 2.764 -0.854 -2.963) 4.141 3.618 ( 4.750 0.282 -8.774) 9.981 5.103 ( 8.802 -0.778 38.680) 39.677 5.770 ( 2.582 -0.277 3.677) 4.502 6.201 ( 5.617 -0.053 3.975) 6.881 7.299 ( 5.770 0.019 -8.097) 9.942 7.853 ( 3.688 -0.258 -18.434) 18.801 8.450 ( 11.955 -1.274 0.921) 12.058 9.549 ( 8.345 -1.950 45.738) 46.534 10.167 ( -20.949 0.177 19.989) 28.956 12.392 ( -10.740 0.582 -4.564) 11.684 17.351 ( 12.200 -1.752 -13.001) 17.915 17.564 ( -4.538 0.817 -4.984) 6.790 18.360 ( -0.201 -0.553 6.126) 6.155 21.221 ( 12.527 -0.549 4.449) 13.304 21.593 ( -5.806 1.271 -7.252) 9.376 22.243 ( -1.293 1.168 1.754) 2.472 22.415 ( 5.099 0.185 4.181) 6.596 22.988 ( 10.091 -1.405 2.743) 10.551 23.313 ( -15.264 0.572 12.633) 19.822 24.010 ( -5.663 9.379 2.496) 11.236 24.214 ( -5.862 -7.209 1.033) 9.348 27.313 ( 1.386 -7.135 -2.619) 7.726 27.851 ( 8.920 5.796 -7.684) 13.123 30.167 ( -5.620 -1.442 -5.565) 8.040 31.550 ( -6.442 2.368 -14.403) 15.955 32.156 ( 2.305 -0.382 15.789) 15.961 32.988 ( -3.604 0.264 16.888) 17.271 35.916 ( -0.387 -0.490 -6.387) 6.417 37.328 ( 4.027 -0.478 -14.795) 15.341 39.987 ( -1.538 0.175 20.483) 20.542 43.069 ( -0.061 -0.122 -6.248) 6.249 ======================= Grid point 206 (72/245) ======================= q-point: (-0.62 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 3.776 -0.807 -1.829) 4.273 2.151 ( -1.779 2.629 -0.518) 3.216 2.474 ( -5.005 -0.803 -4.653) 6.881 2.640 ( 1.046 0.947 -7.476) 7.608 3.084 ( -1.805 -0.725 -2.290) 3.004 3.633 ( -2.689 0.940 -9.997) 10.395 5.169 ( -1.651 1.192 36.788) 36.844 5.773 ( -2.495 -0.328 3.577) 4.374 6.206 ( -5.115 0.081 4.113) 6.564 7.304 ( -5.284 0.202 -7.452) 9.138 7.870 ( -2.110 0.194 -18.249) 18.371 8.528 ( -4.762 0.908 -1.235) 5.003 9.677 ( 4.809 1.585 46.960) 47.233 10.156 ( 20.567 -0.126 21.350) 29.646 12.360 ( 7.492 -0.248 -4.992) 9.007 17.470 ( -1.296 -0.458 -0.389) 1.429 17.582 ( 8.769 4.106 -17.374) 19.890 18.357 ( -0.496 -1.101 7.232) 7.332 21.295 ( -14.669 0.827 -3.581) 15.123 21.384 ( -5.799 -4.133 -2.659) 7.601 22.100 ( -14.353 -3.563 13.929) 20.316 22.398 ( -7.083 -0.349 0.760) 7.133 23.117 ( -4.592 2.523 -4.452) 6.876 23.280 ( 19.622 -0.308 12.071) 23.039 23.921 ( 1.174 5.750 6.610) 8.839 24.254 ( 5.698 -4.545 -0.937) 7.348 27.351 ( -2.315 -7.833 -2.435) 8.523 27.955 ( 7.211 11.025 -7.862) 15.341 30.132 ( 0.637 -3.502 -6.158) 7.112 31.466 ( -1.435 0.573 -13.071) 13.162 32.205 ( 2.886 1.147 14.780) 15.103 32.946 ( -0.931 -1.084 18.117) 18.173 35.927 ( 1.375 -0.290 -6.638) 6.785 37.378 ( 1.329 1.001 -15.101) 15.192 39.973 ( -0.045 -0.259 20.424) 20.425 43.078 ( 1.124 0.156 -6.353) 6.453 ======================= Grid point 207 (73/245) ======================= q-point: (-0.54 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -3.055 5.467 -0.836) 6.318 2.168 ( 0.924 -0.773 -2.167) 2.480 2.360 ( -7.353 -0.034 -3.433) 8.115 2.601 ( -4.382 1.039 -6.505) 7.912 3.012 ( -5.988 -0.184 -1.228) 6.115 3.511 ( -9.387 1.844 -7.338) 12.056 5.032 ( -11.311 3.590 37.953) 39.765 5.687 ( -6.678 -0.380 3.415) 7.510 6.020 ( -14.132 0.321 4.586) 14.861 7.107 ( -15.321 0.273 -6.517) 16.652 7.774 ( -7.589 0.644 -16.348) 18.035 8.349 ( -10.434 3.171 1.293) 10.982 9.708 ( 1.476 7.344 44.472) 45.099 10.821 ( 47.126 0.179 14.899) 49.426 12.645 ( 20.885 -2.144 -5.701) 21.755 17.435 ( -1.621 3.634 -7.023) 8.072 17.710 ( 8.692 7.276 -11.292) 16.000 18.356 ( -0.401 -1.117 6.957) 7.058 20.894 ( -24.778 -6.154 -8.920) 27.044 21.257 ( -12.833 -0.324 5.566) 13.992 21.819 ( -18.050 -10.603 17.176) 27.078 22.163 ( -18.105 -1.580 6.511) 19.304 23.075 ( 0.504 4.307 -9.873) 10.783 23.676 ( 21.988 0.245 7.900) 23.365 23.952 ( 3.270 1.278 11.085) 11.627 24.477 ( 15.671 -2.756 -3.890) 16.380 27.305 ( -7.418 -7.123 -2.634) 10.616 27.995 ( 5.676 16.058 -7.703) 18.693 30.230 ( 6.906 -5.202 -5.748) 10.382 31.493 ( 3.495 -2.671 -11.949) 12.733 32.243 ( 2.579 3.763 15.175) 15.846 32.969 ( 2.054 -3.316 18.498) 18.904 35.971 ( 3.262 0.073 -6.868) 7.603 37.364 ( -1.527 3.241 -15.084) 15.503 39.989 ( 1.396 -0.937 20.640) 20.708 43.108 ( 2.313 0.675 -6.498) 6.931 ======================= Grid point 208 (74/245) ======================= q-point: (-0.46 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -5.914 8.493 -1.256) 10.426 2.115 ( -8.515 2.917 -4.190) 9.929 2.242 ( -2.729 0.561 0.116) 2.789 2.486 ( -7.334 -1.441 -5.033) 9.011 2.874 ( -8.302 0.653 -0.061) 8.328 3.268 ( -15.006 3.396 -0.789) 15.406 4.724 ( -18.066 6.092 43.423) 47.425 5.539 ( -9.062 -0.143 3.304) 9.647 5.699 ( -19.313 0.647 4.745) 19.898 6.746 ( -22.740 -0.003 -5.104) 23.306 7.598 ( -10.287 0.545 -14.220) 17.559 8.158 ( -7.118 4.440 1.396) 8.505 9.661 ( 0.121 12.987 40.855) 42.870 11.818 ( 58.281 0.523 8.611) 58.916 13.095 ( 22.885 -6.099 -8.001) 24.999 17.346 ( -3.089 12.031 -12.812) 17.845 17.860 ( 12.380 6.223 -6.276) 15.211 18.345 ( -1.416 0.417 5.175) 5.382 20.493 ( -21.779 -7.610 -6.511) 23.972 20.933 ( -21.237 -2.714 9.503) 23.424 21.572 ( -16.520 -13.969 13.298) 25.394 21.776 ( -24.004 -3.942 12.963) 27.564 23.032 ( -2.894 6.263 -4.228) 8.092 23.990 ( 3.700 -2.161 7.696) 8.809 24.103 ( 20.428 -0.107 2.941) 20.639 24.833 ( 18.947 -4.100 -2.136) 19.503 27.152 ( -12.855 -5.686 -3.751) 14.549 28.004 ( 6.683 18.900 -7.312) 21.339 30.430 ( 10.747 -5.295 -4.449) 12.780 31.614 ( 6.256 -6.097 -11.278) 14.266 32.259 ( 2.199 5.778 17.167) 18.247 33.056 ( 4.321 -5.306 18.062) 19.314 36.046 ( 4.940 0.714 -7.141) 8.713 37.285 ( -4.094 5.840 -14.841) 16.466 40.034 ( 2.571 -1.775 21.251) 21.479 43.154 ( 3.237 1.559 -6.751) 7.647 ======================= Grid point 209 (75/245) ======================= q-point: (-0.38 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -14.464 9.224 -4.390) 17.707 1.874 ( -9.826 13.666 0.250) 16.834 2.206 ( -2.982 -0.912 1.952) 3.679 2.369 ( -6.819 -5.219 -2.492) 8.941 2.714 ( -7.496 1.992 0.978) 7.817 2.921 ( -19.111 5.585 7.790) 21.380 4.321 ( -19.689 8.274 54.552) 58.584 5.294 ( -19.838 1.278 4.555) 20.394 5.392 ( -9.227 0.295 2.683) 9.614 6.284 ( -26.194 -0.449 -3.732) 26.462 7.409 ( -9.229 -0.068 -13.143) 16.060 8.038 ( -3.153 4.767 -0.099) 5.716 9.574 ( -0.154 16.661 38.150) 41.630 12.930 ( 59.771 0.316 3.187) 59.857 13.480 ( 9.489 -14.117 -12.594) 21.165 17.217 ( -0.729 16.683 -14.592) 22.176 18.112 ( 18.897 6.891 -5.429) 20.834 18.285 ( -3.920 3.519 2.291) 5.744 20.183 ( -15.735 -6.611 -2.172) 17.205 20.549 ( -21.320 -5.078 9.919) 24.056 21.343 ( -18.521 -9.332 12.656) 24.296 21.364 ( -20.532 -12.227 16.913) 29.276 22.878 ( -9.522 7.397 4.108) 12.738 24.048 ( 1.582 -2.912 5.689) 6.584 24.483 ( 18.875 0.178 -1.887) 18.970 25.174 ( 11.543 -10.517 0.790) 15.636 26.901 ( -16.319 -3.715 -5.643) 17.662 28.056 ( 11.384 19.819 -8.110) 24.253 30.668 ( 11.378 -3.971 -2.655) 12.340 31.763 ( 4.593 -7.017 -11.123) 13.930 32.271 ( 2.614 4.104 20.364) 20.937 33.180 ( 5.210 -6.265 17.382) 19.197 36.145 ( 6.317 1.658 -7.649) 10.057 37.151 ( -5.644 8.594 -14.696) 17.935 40.104 ( 3.577 -2.942 22.815) 23.281 43.209 ( 3.946 2.880 -7.231) 8.727 ======================= Grid point 210 (76/245) ======================= q-point: (-0.31 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -19.095 12.072 -2.366) 22.715 1.605 ( -9.057 20.769 5.341) 23.279 2.087 ( -11.136 3.766 9.809) 15.311 2.287 ( -6.202 -6.322 0.312) 8.862 2.524 ( -15.311 2.802 10.121) 18.566 2.606 ( -4.319 4.184 2.646) 6.569 3.949 ( -13.318 8.410 70.907) 72.636 4.920 ( -18.073 1.421 3.392) 18.443 5.266 ( -3.509 1.537 2.542) 4.598 5.812 ( -23.721 -0.783 -3.049) 23.929 7.270 ( -5.683 -0.511 -13.293) 14.466 7.978 ( -0.648 4.442 -1.604) 4.767 9.473 ( 0.022 17.847 36.754) 40.858 13.495 ( -22.686 -24.732 -17.342) 37.777 13.975 ( 50.356 0.326 -1.376) 50.376 17.152 ( 3.262 16.570 -18.454) 25.015 18.174 ( -4.173 4.254 2.698) 6.541 18.517 ( 31.445 11.999 -7.360) 34.452 19.978 ( -11.058 -8.152 3.879) 14.276 20.234 ( -14.051 -3.751 10.392) 17.875 21.018 ( -17.108 -9.652 19.784) 27.879 21.169 ( -11.560 -11.211 8.980) 18.438 22.605 ( -14.544 7.299 11.829) 20.117 24.072 ( -0.428 -0.840 3.852) 3.965 24.778 ( 12.928 1.686 -2.715) 13.317 25.298 ( -12.162 -25.518 7.368) 29.213 26.638 ( -10.584 1.037 -8.209) 13.435 28.215 ( 17.969 21.117 -12.693) 30.495 30.880 ( 8.994 -2.270 -0.827) 9.313 31.826 ( -1.232 -2.457 -9.056) 9.464 32.320 ( 2.390 -3.981 22.988) 23.452 33.310 ( 4.660 -6.286 16.935) 18.656 36.261 ( 7.444 2.496 -8.899) 11.867 36.988 ( -5.150 11.667 -15.367) 19.970 40.206 ( 5.061 -5.480 26.455) 27.486 43.269 ( 4.887 4.556 -8.308) 10.661 ======================= Grid point 211 (77/245) ======================= q-point: (-0.23 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -8.462 15.640 13.032) 22.046 1.293 ( -10.853 23.253 11.316) 28.045 1.700 ( -20.156 19.538 24.134) 37.020 2.196 ( -5.650 -4.651 1.932) 7.569 2.375 ( -3.310 -6.269 6.659) 9.727 2.548 ( -0.379 4.315 1.276) 4.516 3.801 ( 1.698 0.116 87.664) 87.681 4.631 ( -11.586 1.439 2.660) 11.975 5.271 ( 6.029 2.588 2.073) 6.881 5.452 ( -14.246 -0.919 -3.117) 14.612 7.204 ( -1.660 -0.031 -14.286) 14.382 7.955 ( 0.499 3.936 -2.422) 4.649 9.378 ( 0.530 16.765 36.753) 40.400 12.847 ( -60.063 -22.701 -11.898) 65.303 14.728 ( 29.049 1.262 -4.561) 29.432 17.093 ( 0.231 18.625 -26.773) 32.615 18.120 ( -0.458 -1.105 6.486) 6.596 19.170 ( 42.189 9.776 -12.311) 45.023 19.867 ( -5.474 -10.569 10.540) 15.899 20.114 ( 0.965 -1.727 11.526) 11.694 20.834 ( -8.634 -9.004 15.041) 19.541 21.060 ( -4.992 -4.365 1.309) 6.759 22.294 ( -12.941 6.619 19.437) 24.271 24.046 ( -1.687 1.718 3.703) 4.417 24.870 ( -23.506 -18.436 13.802) 32.908 25.012 ( -14.524 -18.439 9.742) 25.414 26.540 ( 0.864 5.113 -9.626) 10.933 28.452 ( 19.431 24.566 -25.053) 40.109 31.015 ( 4.249 -1.273 0.918) 4.530 31.756 ( -5.661 1.681 -5.500) 8.071 32.375 ( -1.542 -11.007 29.348) 31.382 33.416 ( 2.791 -5.673 16.705) 17.862 36.386 ( 6.785 1.916 -11.551) 13.533 36.842 ( -1.841 15.618 -18.667) 24.409 40.371 ( 7.350 -13.056 32.984) 36.227 43.341 ( 5.898 6.001 -11.232) 14.034 ======================= Grid point 212 (78/245) ======================= q-point: (-0.15 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.000 14.301 26.474) 30.090 0.966 ( 0.000 19.551 21.916) 29.369 1.304 ( 0.000 30.676 27.642) 41.293 2.166 ( -0.000 -4.012 2.267) 4.608 2.389 ( -0.000 -6.520 6.236) 9.022 2.524 ( 0.000 3.589 1.066) 3.744 3.952 ( -0.000 -21.839 90.943) 93.528 4.496 ( 0.000 2.712 2.069) 3.412 5.316 ( -0.000 -0.910 -2.992) 3.128 5.400 ( 0.000 0.037 -1.544) 1.544 7.194 ( 0.000 0.644 -15.779) 15.792 7.943 ( 0.000 3.526 -2.773) 4.486 9.304 ( 0.000 13.195 37.686) 39.929 12.028 ( 0.000 4.394 13.408) 14.109 14.995 ( 0.000 1.791 -5.521) 5.804 16.967 ( 0.000 23.514 -31.110) 38.997 18.148 ( -0.000 -7.197 7.334) 10.276 19.601 ( -0.000 -6.000 -7.845) 9.876 19.910 ( -0.000 -7.612 12.274) 14.443 20.272 ( -0.000 -1.767 1.591) 2.378 20.779 ( -0.000 -5.270 -2.631) 5.891 21.025 ( 0.000 0.100 -4.932) 4.933 22.122 ( 0.000 5.701 24.385) 25.043 24.013 ( 0.000 2.513 3.971) 4.699 24.516 ( -0.000 -41.797 61.502) 74.361 25.009 ( 0.000 1.821 -2.843) 3.377 26.536 ( 0.000 4.178 -9.207) 10.111 28.515 ( 0.000 32.982 -40.660) 52.355 31.057 ( -0.000 -1.202 2.372) 2.659 31.663 ( 0.000 3.312 -1.653) 3.701 32.421 ( -0.000 -16.986 38.573) 42.148 33.472 ( -0.000 -4.301 16.021) 16.589 36.452 ( 0.000 2.060 -14.981) 15.122 36.732 ( 0.000 19.509 -22.586) 29.845 40.590 ( -0.000 -27.121 37.460) 46.247 43.381 ( 0.000 6.944 -15.803) 17.261 ======================= Grid point 217 (79/245) ======================= q-point: ( 0.23 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 7.124 -0.000 -1.331) 7.247 2.195 ( -1.170 0.000 -0.299) 1.207 2.539 ( -2.574 0.000 -5.025) 5.646 2.562 ( 7.972 -0.000 -8.475) 11.635 3.064 ( 2.822 -0.000 -3.155) 4.233 3.620 ( 4.912 -0.000 -8.634) 9.933 5.098 ( 9.394 -0.000 38.812) 39.932 5.769 ( 2.605 -0.000 3.660) 4.492 6.201 ( 5.653 -0.000 3.972) 6.909 7.299 ( 5.812 -0.000 -8.201) 10.052 7.852 ( 3.801 -0.000 -18.425) 18.813 8.442 ( 12.448 -0.000 1.143) 12.501 9.537 ( 9.196 -0.000 45.597) 46.515 10.168 ( -20.970 0.000 19.860) 28.881 12.395 ( -10.929 0.000 -4.473) 11.809 17.341 ( 13.165 -0.000 -12.960) 18.473 17.569 ( -4.476 0.000 -4.977) 6.693 18.357 ( -0.291 0.000 5.726) 5.733 21.218 ( 12.733 -0.000 4.782) 13.601 21.600 ( -7.072 0.000 -7.037) 9.977 22.250 ( -2.711 0.000 1.406) 3.053 22.416 ( 5.307 -0.000 3.962) 6.623 22.980 ( 10.574 -0.000 3.229) 11.056 23.316 ( -14.868 0.000 12.578) 19.475 24.117 ( -12.663 0.000 -0.947) 12.698 24.120 ( 0.724 -0.000 4.307) 4.368 27.272 ( 1.891 -0.000 -2.289) 2.969 27.885 ( 9.569 -0.000 -8.088) 12.529 30.158 ( -6.030 0.000 -5.377) 8.079 31.565 ( -6.971 0.000 -14.565) 16.148 32.154 ( 2.588 -0.000 15.846) 16.056 32.989 ( -3.882 0.000 16.803) 17.246 35.913 ( -0.286 0.000 -6.336) 6.342 37.326 ( 4.403 -0.000 -14.777) 15.419 39.988 ( -1.650 0.000 20.488) 20.554 43.068 ( 0.015 -0.000 -6.240) 6.240 ======================= Grid point 218 (80/245) ======================= q-point: ( 0.31 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 3.932 -0.311 -2.246) 4.539 2.173 ( -0.953 1.054 0.137) 1.428 2.467 ( -5.158 -0.324 -4.780) 7.040 2.648 ( 1.355 0.355 -7.283) 7.417 3.077 ( -1.641 -0.355 -2.541) 3.045 3.641 ( -2.431 0.402 -10.018) 10.317 5.178 ( -0.835 0.437 36.521) 36.533 5.770 ( -2.527 -0.155 3.516) 4.332 6.206 ( -5.047 0.030 4.146) 6.532 7.305 ( -5.217 0.086 -7.479) 9.119 7.871 ( -1.900 0.061 -18.179) 18.278 8.535 ( -3.745 0.285 -1.383) 4.002 9.689 ( 6.690 0.508 46.989) 47.465 10.155 ( 20.506 -0.040 21.469) 29.689 12.358 ( 6.978 -0.059 -4.907) 8.530 17.464 ( -0.830 -0.308 0.143) 0.896 17.618 ( 10.797 1.816 -17.716) 20.826 18.346 ( -0.769 -0.556 6.625) 6.693 21.291 ( -23.132 -0.797 -9.030) 24.845 21.360 ( 1.494 -0.432 2.895) 3.286 22.071 ( -16.878 -1.429 16.052) 23.336 22.395 ( -7.532 -0.152 -0.020) 7.534 23.137 ( -4.023 0.959 -5.195) 6.640 23.278 ( 20.115 -0.068 11.644) 23.243 23.982 ( -1.400 3.809 8.321) 9.257 24.205 ( 7.565 -3.227 -2.438) 8.578 27.289 ( -1.381 -2.856 -1.788) 3.641 28.044 ( 8.449 4.131 -8.698) 12.810 30.101 ( -0.192 -1.580 -5.870) 6.082 31.473 ( -2.465 0.392 -13.070) 13.306 32.214 ( 3.763 0.448 14.611) 15.095 32.937 ( -1.679 -0.433 18.304) 18.386 35.924 ( 1.484 -0.148 -6.612) 6.778 37.386 ( 2.040 0.374 -15.147) 15.289 39.971 ( -0.259 -0.094 20.417) 20.419 43.080 ( 1.266 0.055 -6.367) 6.492 ======================= Grid point 219 (81/245) ======================= q-point: (-0.62 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -1.755 2.932 -1.725) 3.828 2.162 ( 0.781 -0.100 -1.328) 1.544 2.358 ( -6.392 -0.196 -2.668) 6.929 2.611 ( -4.853 0.682 -6.606) 8.225 3.009 ( -5.723 -0.318 -1.295) 5.876 3.530 ( -8.903 1.201 -7.804) 11.900 5.063 ( -10.530 1.913 37.005) 38.521 5.682 ( -6.751 -0.368 3.348) 7.545 6.023 ( -14.011 0.182 4.683) 14.774 7.110 ( -15.364 0.196 -6.382) 16.638 7.780 ( -7.546 0.336 -16.130) 17.811 8.377 ( -9.895 1.685 0.794) 10.069 9.774 ( 3.861 4.048 44.879) 45.227 10.823 ( 47.391 0.118 15.142) 49.752 12.626 ( 19.762 -1.191 -5.628) 20.582 17.454 ( 0.136 0.436 -3.199) 3.232 17.799 ( 10.742 6.940 -14.950) 19.674 18.340 ( -0.407 -1.369 6.417) 6.574 20.816 ( -27.782 -6.056 -9.735) 30.055 21.285 ( -9.586 3.957 5.398) 11.691 21.706 ( -22.360 -8.478 21.668) 32.270 22.151 ( -18.399 -0.659 5.114) 19.108 23.114 ( 0.951 2.387 -10.814) 11.115 23.679 ( 22.070 0.251 6.741) 23.078 23.971 ( 1.091 1.744 12.553) 12.721 24.447 ( 16.253 -2.225 -4.516) 17.015 27.239 ( -6.349 -4.135 -1.631) 7.750 28.146 ( 6.690 9.619 -9.051) 14.805 30.174 ( 6.282 -3.969 -5.387) 9.178 31.473 ( 2.313 -0.911 -11.472) 11.739 32.280 ( 3.900 2.452 14.320) 15.043 32.937 ( 0.912 -2.191 19.377) 19.522 35.971 ( 3.391 -0.101 -6.881) 7.672 37.393 ( -0.591 1.841 -15.250) 15.372 39.980 ( 1.102 -0.529 20.573) 20.609 43.114 ( 2.584 0.374 -6.570) 7.070 ======================= Grid point 220 (82/245) ======================= q-point: (-0.54 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -5.928 5.219 -3.338) 8.575 2.145 ( -2.959 2.111 -0.953) 3.758 2.250 ( -4.180 0.784 0.886) 4.344 2.473 ( -9.353 -0.808 -6.047) 11.167 2.879 ( -7.821 0.236 0.067) 7.825 3.303 ( -13.998 2.659 -1.682) 14.347 4.781 ( -17.406 3.792 41.584) 45.239 5.535 ( -8.983 -0.524 3.248) 9.567 5.705 ( -19.233 0.446 4.939) 19.862 6.747 ( -22.936 0.074 -4.896) 23.453 7.603 ( -10.563 0.333 -13.701) 17.303 8.201 ( -6.998 2.960 0.947) 7.657 9.791 ( 2.183 9.265 41.437) 42.516 11.823 ( 58.255 0.371 8.876) 58.928 13.035 ( 20.252 -4.289 -7.335) 21.962 17.443 ( -0.426 5.115 -8.750) 10.144 17.963 ( 13.511 10.819 -10.588) 20.290 18.342 ( -0.401 -0.874 5.214) 5.301 20.372 ( -24.698 -11.958 -6.299) 28.154 20.959 ( -19.894 6.734 12.363) 24.371 21.403 ( -18.006 -15.271 15.043) 27.994 21.745 ( -24.779 -1.629 10.497) 26.960 23.093 ( -2.303 4.244 -5.010) 6.958 23.978 ( 2.293 -0.118 9.087) 9.373 24.098 ( 20.587 -0.674 0.280) 20.600 24.792 ( 17.666 -2.871 -1.352) 17.948 27.095 ( -11.644 -4.157 -2.404) 12.595 28.197 ( 6.620 14.065 -9.031) 17.978 30.366 ( 10.807 -5.431 -4.071) 12.762 31.561 ( 5.509 -3.155 -9.873) 11.738 32.325 ( 3.313 5.436 15.314) 16.585 32.996 ( 3.203 -4.811 19.695) 20.526 36.050 ( 5.064 0.103 -7.161) 8.771 37.342 ( -3.045 4.055 -15.141) 15.968 40.016 ( 2.180 -1.243 20.941) 21.091 43.170 ( 3.702 1.060 -6.943) 7.940 ======================= Grid point 221 (83/245) ======================= q-point: (-0.46 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -13.046 7.963 -4.654) 15.977 2.017 ( -6.040 10.834 2.763) 12.708 2.195 ( -3.008 -1.186 1.540) 3.581 2.309 ( -8.952 -5.067 -3.499) 10.865 2.734 ( -6.641 1.494 1.022) 6.883 2.984 ( -17.677 5.266 6.974) 19.719 4.401 ( -19.397 5.721 51.655) 55.472 5.309 ( -19.397 1.417 4.617) 19.989 5.386 ( -9.506 -1.082 2.781) 9.964 6.279 ( -26.435 -0.318 -3.554) 26.675 7.408 ( -9.640 -0.128 -12.155) 15.514 8.087 ( -3.371 3.695 -0.320) 5.012 9.754 ( 1.132 14.135 38.696) 41.213 12.933 ( 59.567 0.212 3.514) 59.671 13.339 ( 5.216 -10.465 -9.815) 15.267 17.376 ( -1.077 10.968 -12.425) 16.608 18.209 ( 18.022 9.386 -6.386) 21.299 18.328 ( 1.260 4.347 1.509) 4.771 20.041 ( -19.717 -16.701 -0.281) 25.841 20.557 ( -18.014 5.899 12.239) 22.563 21.178 ( -15.566 -16.110 11.857) 25.346 21.289 ( -24.701 -4.154 14.639) 29.012 22.955 ( -9.477 5.949 3.898) 11.849 24.022 ( 2.181 -1.726 5.885) 6.510 24.481 ( 19.085 -0.468 -4.423) 19.597 25.072 ( 7.272 -7.150 2.511) 10.503 26.867 ( -13.848 -2.297 -4.243) 14.665 28.261 ( 10.249 15.688 -9.519) 21.018 30.614 ( 11.957 -5.090 -2.350) 13.206 31.693 ( 5.334 -4.894 -8.666) 11.292 32.342 ( 2.549 7.431 17.778) 19.437 33.103 ( 4.363 -7.001 19.389) 21.071 36.155 ( 6.216 0.326 -7.539) 9.777 37.239 ( -4.536 6.632 -15.125) 17.127 40.074 ( 2.890 -2.292 21.834) 22.143 43.238 ( 4.553 2.131 -7.617) 9.126 ======================= Grid point 222 (84/245) ======================= q-point: (-0.38 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -16.040 13.041 -1.636) 20.737 1.805 ( -9.308 13.976 7.262) 18.295 2.124 ( -4.842 1.278 3.281) 5.987 2.209 ( -5.725 -6.411 0.663) 8.621 2.574 ( -16.158 5.723 10.830) 20.276 2.655 ( -5.584 4.573 4.308) 8.405 4.037 ( -14.498 6.792 66.600) 68.497 4.940 ( -17.720 1.956 3.349) 18.140 5.266 ( -4.206 -1.377 2.540) 5.102 5.803 ( -23.947 -0.794 -2.917) 24.137 7.264 ( -5.719 -0.527 -11.731) 13.061 8.026 ( -0.998 3.849 -1.631) 4.298 9.678 ( 0.582 17.366 37.062) 40.933 13.258 ( -23.721 -16.759 -9.747) 30.635 13.978 ( 50.672 0.241 -1.146) 50.686 17.309 ( 0.834 11.215 -14.953) 18.710 18.228 ( -3.494 4.690 4.102) 7.144 18.659 ( 32.213 12.977 -10.990) 36.426 19.818 ( -14.848 -18.314 5.192) 24.142 20.247 ( -11.604 4.870 10.159) 16.173 20.916 ( -17.900 -7.984 17.507) 26.280 21.032 ( -8.394 -12.458 8.003) 17.021 22.686 ( -14.856 6.556 11.619) 19.967 24.064 ( 1.211 -0.530 3.610) 3.845 24.792 ( 13.778 0.343 -4.384) 14.462 25.057 ( -18.207 -16.390 9.649) 26.329 26.661 ( -6.559 2.521 -7.063) 9.963 28.419 ( 16.052 14.890 -12.606) 25.265 30.846 ( 9.642 -3.543 -0.577) 10.289 31.785 ( 1.131 -3.803 -7.540) 8.520 32.342 ( 1.833 6.312 21.429) 22.415 33.227 ( 4.040 -8.108 18.955) 21.008 36.274 ( 6.514 0.097 -8.225) 10.492 37.110 ( -4.055 9.246 -15.903) 18.837 40.151 ( 3.389 -4.189 23.922) 24.521 43.314 ( 5.251 3.236 -8.856) 10.792 ======================= Grid point 223 (85/245) ======================= q-point: (-0.31 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -6.767 16.992 10.625) 21.152 1.501 ( -14.728 14.394 15.560) 25.811 1.962 ( -6.793 22.727 11.088) 26.184 2.136 ( -5.906 -5.240 3.128) 8.492 2.300 ( -7.361 -5.867 10.132) 13.829 2.598 ( -0.304 4.374 1.283) 4.568 3.828 ( -4.001 3.880 81.861) 82.050 4.656 ( -10.797 2.618 2.281) 11.342 5.264 ( 2.780 -3.266 2.119) 4.784 5.440 ( -14.484 -1.215 -3.000) 14.842 7.203 ( -1.171 -0.135 -12.319) 12.375 7.999 ( 0.160 3.657 -2.326) 4.337 9.584 ( 0.464 18.629 36.559) 41.034 12.658 ( -45.607 -11.386 -0.799) 47.014 14.743 ( 29.836 1.306 -4.689) 30.231 17.258 ( -0.100 11.015 -20.356) 23.145 18.143 ( -2.012 4.629 6.510) 8.237 19.233 ( 27.654 1.396 -10.067) 29.462 19.738 ( -0.355 -11.081 1.989) 11.264 20.099 ( -0.975 -1.036 10.573) 10.668 20.728 ( -7.552 -9.197 13.910) 18.306 21.008 ( -0.272 -4.516 0.673) 4.574 22.370 ( -13.344 6.480 18.711) 23.877 24.066 ( -0.415 1.816 3.363) 3.844 24.587 ( -39.841 -21.153 27.227) 52.689 24.980 ( 6.856 1.457 -3.611) 7.885 26.602 ( 1.364 5.554 -9.041) 10.698 28.661 ( 16.561 13.086 -20.802) 29.635 30.997 ( 4.606 -1.917 1.239) 5.140 31.768 ( -3.431 0.604 -4.830) 5.955 32.337 ( 0.313 2.973 26.180) 26.350 33.336 ( 2.414 -8.206 18.591) 20.464 36.386 ( 4.761 -1.146 -9.247) 10.464 36.999 ( -1.214 11.464 -18.822) 22.072 40.251 ( 3.485 -8.344 27.814) 29.247 43.394 ( 5.097 3.447 -11.229) 12.804 ======================= Grid point 224 (86/245) ======================= q-point: (-0.23 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.000 16.322 20.367) 26.100 1.154 ( 0.000 15.316 25.955) 30.138 1.699 ( 0.000 35.604 14.162) 38.318 2.109 ( -0.000 -5.990 3.018) 6.707 2.298 ( -0.000 -9.276 7.849) 12.151 2.572 ( 0.000 4.540 0.957) 4.640 3.816 ( -0.000 -4.306 89.528) 89.632 4.531 ( 0.000 3.347 1.831) 3.815 5.304 ( -0.000 -1.190 -2.896) 3.131 5.357 ( -0.000 -6.515 0.397) 6.528 7.200 ( 0.000 0.350 -13.687) 13.692 7.983 ( 0.000 3.444 -2.422) 4.210 9.486 ( 0.000 17.940 36.951) 41.076 12.085 ( 0.000 5.352 12.942) 14.006 15.018 ( 0.000 2.157 -5.859) 6.244 17.181 ( 0.000 14.369 -25.290) 29.087 18.110 ( 0.000 0.687 8.096) 8.125 19.486 ( -0.000 -13.598 2.512) 13.828 19.838 ( -0.000 -5.010 1.126) 5.135 20.223 ( -0.000 -6.333 -0.319) 6.341 20.712 ( -0.000 -6.289 -1.875) 6.563 21.026 ( 0.000 0.118 -4.683) 4.684 22.192 ( 0.000 6.284 23.313) 24.145 24.044 ( 0.000 2.925 3.625) 4.658 24.184 ( -0.000 -19.099 51.957) 55.357 25.032 ( 0.000 2.188 -3.338) 3.992 26.592 ( 0.000 5.498 -9.368) 10.862 28.772 ( 0.000 14.347 -30.852) 34.025 31.043 ( -0.000 -1.198 2.630) 2.889 31.704 ( 0.000 3.743 -1.817) 4.160 32.327 ( -0.000 -0.830 31.589) 31.599 33.404 ( -0.000 -7.396 18.030) 19.488 36.444 ( -0.000 -2.008 -10.182) 10.378 36.924 ( 0.000 13.597 -22.954) 26.679 40.359 ( -0.000 -14.598 32.077) 35.242 43.435 ( 0.000 3.132 -13.919) 14.267 ======================= Grid point 231 (87/245) ======================= q-point: (-0.69 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -0.216 0.000 -3.680) 3.686 2.165 ( -0.375 0.000 0.686) 0.782 2.357 ( -6.067 0.000 -2.504) 6.564 2.615 ( -4.991 0.000 -6.582) 8.261 3.007 ( -5.612 0.000 -1.361) 5.775 3.537 ( -8.733 0.000 -7.954) 11.812 5.074 ( -10.282 0.000 36.674) 38.089 5.680 ( -6.794 0.000 3.323) 7.563 6.024 ( -13.968 0.000 4.720) 14.744 7.111 ( -15.377 0.000 -6.345) 16.635 7.782 ( -7.531 0.000 -16.048) 17.727 8.387 ( -9.700 0.000 0.620) 9.720 9.797 ( 4.746 -0.000 45.017) 45.267 10.824 ( 47.486 -0.000 15.225) 49.867 12.619 ( 19.342 -0.000 -5.591) 20.134 17.456 ( 0.566 -0.000 -2.243) 2.313 17.842 ( 11.985 -0.000 -15.852) 19.873 18.331 ( -0.563 0.000 6.077) 6.103 20.779 ( -28.999 0.000 -9.309) 30.457 21.315 ( -6.857 0.000 3.377) 7.643 21.651 ( -25.517 0.000 24.586) 35.435 22.147 ( -18.437 0.000 4.700) 19.027 23.128 ( 1.076 -0.000 -11.151) 11.202 23.680 ( 22.143 -0.000 6.350) 23.036 23.983 ( -0.011 0.000 13.197) 13.197 24.433 ( 16.736 -0.000 -4.891) 17.436 27.215 ( -5.960 0.000 -1.271) 6.094 28.202 ( 7.072 -0.000 -9.593) 11.918 30.150 ( 6.029 -0.000 -5.166) 7.940 31.468 ( 1.904 -0.000 -11.343) 11.501 32.294 ( 4.466 -0.000 13.963) 14.660 32.924 ( 0.420 -0.000 19.743) 19.748 35.970 ( 3.430 -0.000 -6.877) 7.685 37.404 ( -0.262 0.000 -15.308) 15.310 39.977 ( 0.996 -0.000 20.549) 20.574 43.117 ( 2.680 -0.000 -6.595) 7.119 ======================= Grid point 233 (88/245) ======================= q-point: (-0.62 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -6.103 1.718 -4.733) 7.912 2.161 ( -0.104 0.729 0.845) 1.121 2.257 ( -4.620 0.365 1.558) 4.889 2.467 ( -10.588 -0.208 -6.574) 12.465 2.880 ( -7.491 0.042 0.068) 7.492 3.325 ( -13.404 1.019 -2.160) 13.615 4.810 ( -17.122 1.274 40.629) 44.108 5.530 ( -8.999 -0.280 3.220) 9.562 5.709 ( -19.196 0.160 5.063) 19.853 6.748 ( -23.050 0.044 -4.797) 23.544 7.606 ( -10.718 0.110 -13.422) 17.177 8.224 ( -6.927 1.032 0.692) 7.037 9.864 ( 3.408 3.345 41.761) 42.033 11.826 ( 58.223 0.134 9.012) 58.917 13.001 ( 18.837 -1.542 -6.960) 20.141 17.476 ( 1.241 1.135 -6.243) 6.466 18.070 ( 14.932 6.117 -13.578) 21.089 18.328 ( -0.214 -1.239 4.771) 4.933 20.263 ( -27.123 -5.592 -3.574) 27.923 21.067 ( -17.690 11.059 10.124) 23.189 21.233 ( -20.245 -13.660 17.659) 30.138 21.734 ( -25.087 -0.424 9.536) 26.841 23.126 ( -1.953 1.490 -5.509) 6.032 23.981 ( 0.583 0.366 10.918) 10.940 24.090 ( 21.300 -0.493 -2.286) 21.428 24.769 ( 17.229 -1.033 -0.870) 17.282 27.062 ( -10.849 -1.500 -1.634) 11.073 28.310 ( 6.402 5.260 -10.193) 13.136 30.319 ( 10.915 -2.356 -3.544) 11.715 31.539 ( 5.123 -0.893 -9.294) 10.650 32.372 ( 4.342 2.329 13.944) 14.789 32.955 ( 2.278 -2.073 20.946) 21.171 36.050 ( 5.087 -0.030 -7.132) 8.760 37.374 ( -2.511 1.442 -15.284) 15.556 40.007 ( 1.970 -0.445 20.778) 20.876 43.178 ( 3.946 0.374 -7.047) 8.085 ======================= Grid point 234 (89/245) ======================= q-point: (-0.54 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -10.007 5.896 -3.455) 12.118 2.114 ( -4.827 5.911 3.791) 8.522 2.175 ( -4.720 -2.237 0.582) 5.256 2.261 ( -10.059 -3.016 -4.029) 11.247 2.747 ( -6.013 0.784 1.025) 6.150 3.034 ( -16.204 3.349 6.259) 17.691 4.450 ( -19.252 2.842 49.837) 53.502 5.325 ( -19.232 1.262 4.538) 19.800 5.371 ( -9.761 -1.471 3.038) 10.329 6.277 ( -26.637 -0.151 -3.431) 26.857 7.407 ( -9.918 -0.093 -11.536) 15.214 8.120 ( -3.518 1.991 -0.510) 4.075 9.883 ( 2.089 8.068 39.098) 39.976 12.935 ( 59.424 0.100 3.744) 59.542 13.247 ( 2.967 -5.532 -8.130) 10.272 17.466 ( -0.563 4.957 -10.354) 11.493 18.293 ( 4.236 4.223 0.286) 5.988 18.396 ( 17.662 7.200 -8.754) 20.986 19.853 ( -22.624 -14.102 5.911) 27.307 20.661 ( -16.616 11.611 10.627) 22.887 20.993 ( -15.177 -16.060 11.750) 25.027 21.256 ( -25.773 -1.813 12.903) 28.880 23.009 ( -9.427 3.291 3.724) 10.656 24.008 ( 2.303 -0.679 6.175) 6.625 24.474 ( 19.031 -0.600 -6.649) 20.168 25.012 ( 5.190 -3.419 3.911) 7.343 26.848 ( -11.804 -1.110 -3.193) 12.278 28.404 ( 8.725 8.826 -10.842) 16.479 30.562 ( 12.643 -3.659 -1.591) 13.258 31.654 ( 5.682 -2.064 -7.303) 9.480 32.422 ( 3.440 5.873 15.079) 16.544 33.030 ( 3.395 -5.273 21.419) 22.318 36.156 ( 6.048 -0.088 -7.372) 9.536 37.298 ( -3.990 3.537 -15.278) 16.182 40.054 ( 2.492 -1.245 21.222) 21.404 43.257 ( 4.869 1.117 -7.850) 9.304 ======================= Grid point 235 (90/245) ======================= q-point: (-0.46 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -12.875 12.997 -0.839) 18.314 1.927 ( -10.277 7.654 8.099) 15.159 2.072 ( -7.524 -8.973 -0.291) 11.714 2.180 ( -2.557 -0.130 2.351) 3.476 2.638 ( -8.229 4.547 5.216) 10.751 2.714 ( -10.711 5.768 9.354) 15.346 4.101 ( -14.978 4.210 63.621) 65.496 4.962 ( -17.377 1.680 3.227) 17.754 5.242 ( -5.467 -2.471 2.773) 6.609 5.795 ( -24.182 -0.577 -2.775) 24.347 7.259 ( -5.730 -0.390 -10.646) 12.097 8.063 ( -1.300 2.559 -1.756) 3.365 9.853 ( 1.046 12.527 37.394) 39.450 13.110 ( -22.696 -9.447 -5.540) 25.200 13.980 ( 50.937 0.125 -0.961) 50.946 17.413 ( -0.981 7.004 -12.761) 14.589 18.274 ( -1.732 3.225 5.070) 6.253 18.811 ( 30.223 13.463 -13.524) 35.743 19.594 ( -14.606 -19.730 9.031) 26.157 20.321 ( -14.202 7.360 8.563) 18.144 20.840 ( -18.495 -5.239 15.445) 24.659 20.893 ( -4.483 -11.408 7.447) 14.342 22.750 ( -15.181 4.494 11.477) 19.555 24.060 ( 2.380 -0.225 3.429) 4.180 24.777 ( 9.298 -3.114 -5.358) 11.174 24.932 ( -15.251 -5.722 10.459) 19.358 26.688 ( -3.991 2.049 -6.106) 7.577 28.556 ( 13.178 9.039 -12.829) 20.493 30.805 ( 10.662 -3.260 0.239) 11.152 31.751 ( 2.993 -1.949 -5.569) 6.616 32.433 ( 2.213 8.507 17.528) 19.609 33.133 ( 3.305 -8.005 21.111) 22.818 36.270 ( 5.878 -0.500 -7.678) 9.683 37.195 ( -3.841 5.661 -15.746) 17.168 40.112 ( 2.538 -2.585 22.248) 22.541 43.343 ( 5.226 1.879 -9.127) 10.683 ======================= Grid point 236 (91/245) ======================= q-point: (-0.38 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -5.475 16.968 8.678) 19.829 1.645 ( -14.103 11.387 15.156) 23.628 2.019 ( -3.848 -8.576 2.917) 9.842 2.138 ( -2.236 -3.332 5.424) 6.747 2.340 ( -10.648 16.569 13.261) 23.744 2.642 ( -0.254 3.144 1.859) 3.661 3.877 ( -6.134 4.166 77.288) 77.643 4.686 ( -10.290 2.533 2.013) 10.787 5.210 ( -0.332 -5.669 2.433) 6.178 5.426 ( -14.720 -1.071 -2.798) 15.021 7.201 ( -0.903 -0.243 -10.781) 10.821 8.036 ( -0.185 2.759 -2.470) 3.708 9.785 ( 0.502 15.825 36.604) 39.882 12.569 ( -35.290 -4.894 3.780) 35.828 14.757 ( 30.604 1.055 -4.804) 30.997 17.357 ( -0.853 6.720 -15.884) 17.268 18.210 ( -1.758 6.404 7.489) 10.009 19.209 ( 8.902 -4.890 1.533) 10.272 19.631 ( 11.818 -7.382 -12.812) 18.929 20.089 ( -5.834 -0.679 10.413) 11.955 20.632 ( -6.565 -7.410 12.802) 16.183 20.960 ( 4.628 -3.708 0.282) 5.937 22.437 ( -13.771 5.033 18.156) 23.337 24.086 ( 0.683 1.495 3.071) 3.483 24.406 ( -34.996 -11.252 26.248) 45.170 25.000 ( 7.224 1.687 -4.313) 8.580 26.662 ( 1.793 4.665 -8.529) 9.885 28.769 ( 12.974 6.532 -17.630) 22.842 30.975 ( 5.562 -1.826 1.886) 6.151 31.775 ( -0.732 0.699 -3.596) 3.736 32.412 ( 0.951 8.935 20.859) 22.712 33.234 ( 2.028 -9.348 20.458) 22.583 36.370 ( 3.894 -1.436 -8.099) 9.100 37.104 ( -1.768 7.088 -17.366) 18.840 40.176 ( 1.994 -4.904 24.228) 24.800 43.424 ( 4.244 1.857 -10.948) 11.888 ======================= Grid point 237 (92/245) ======================= q-point: (-0.31 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.000 16.268 15.425) 22.418 1.331 ( 0.000 15.690 23.531) 28.282 2.029 ( -0.000 -7.909 4.102) 8.909 2.078 ( 0.000 28.656 7.729) 29.680 2.182 ( -0.000 -9.576 10.754) 14.400 2.622 ( 0.000 3.984 1.344) 4.205 3.811 ( 0.000 2.050 84.364) 84.389 4.570 ( 0.000 3.247 1.574) 3.608 5.266 ( -0.000 -8.879 1.667) 9.035 5.290 ( -0.000 -1.233 -2.787) 3.047 7.202 ( -0.000 -0.061 -11.744) 11.744 8.020 ( 0.000 2.895 -2.539) 3.851 9.694 ( 0.000 17.742 36.574) 40.650 12.146 ( 0.000 5.096 12.439) 13.442 15.042 ( 0.000 2.028 -6.218) 6.540 17.306 ( 0.000 8.066 -19.180) 20.807 18.154 ( 0.000 6.236 8.429) 10.485 19.313 ( -0.000 -15.657 9.032) 18.075 19.790 ( -0.000 -3.704 -7.503) 8.368 20.140 ( -0.000 -7.763 0.195) 7.766 20.641 ( -0.000 -5.871 -1.093) 5.972 21.027 ( 0.000 0.114 -4.430) 4.432 22.260 ( 0.000 5.447 22.448) 23.099 24.035 ( -0.000 -8.488 43.609) 44.428 24.077 ( 0.000 2.657 3.297) 4.234 25.057 ( 0.000 2.053 -3.860) 4.372 26.656 ( 0.000 5.427 -9.250) 10.725 28.879 ( 0.000 5.627 -23.157) 23.831 31.031 ( -0.000 -0.931 2.884) 3.031 31.745 ( 0.000 3.328 -1.972) 3.869 32.372 ( 0.000 7.505 24.377) 25.506 33.308 ( -0.000 -9.320 19.683) 21.779 36.419 ( -0.000 -2.153 -8.564) 8.830 37.047 ( 0.000 8.333 -19.683) 21.375 40.235 ( -0.000 -7.894 26.706) 27.849 43.460 ( 0.000 1.503 -12.502) 12.592 ======================= Grid point 246 (93/245) ======================= q-point: (-0.62 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -7.837 0.000 -2.494) 8.224 2.150 ( -4.755 0.000 -0.855) 4.831 2.155 ( -7.000 0.000 4.556) 8.352 2.244 ( -9.652 0.000 -4.018) 10.455 2.752 ( -5.780 0.000 1.017) 5.869 3.054 ( -15.559 0.000 5.971) 16.665 4.466 ( -19.212 0.000 49.224) 52.840 5.334 ( -20.334 0.000 4.494) 20.824 5.360 ( -8.733 0.000 3.162) 9.288 6.276 ( -26.716 0.000 -3.387) 26.930 7.406 ( -10.015 0.000 -11.328) 15.120 8.131 ( -3.570 0.000 -0.585) 3.617 9.930 ( 2.442 -0.000 39.245) 39.320 12.936 ( 59.380 -0.000 3.829) 59.503 13.215 ( 2.273 -0.000 -7.573) 7.906 17.494 ( -0.109 0.000 -9.552) 9.553 18.314 ( -0.710 0.000 3.788) 3.854 18.447 ( 23.753 -0.000 -14.537) 27.849 19.765 ( -24.037 0.000 9.121) 25.709 20.793 ( -19.631 0.000 5.100) 20.283 20.835 ( -11.670 0.000 16.513) 20.221 21.245 ( -26.192 0.000 12.387) 28.973 23.028 ( -9.403 0.000 3.655) 10.088 24.005 ( 2.276 -0.000 6.324) 6.721 24.470 ( 18.957 -0.000 -7.543) 20.402 24.993 ( 4.639 -0.000 4.448) 6.427 26.841 ( -11.043 0.000 -2.809) 11.395 28.455 ( 8.048 -0.000 -11.394) 13.950 30.540 ( 12.970 -0.000 -1.195) 13.025 31.642 ( 5.800 -0.000 -6.936) 9.041 32.459 ( 3.990 -0.000 13.765) 14.332 32.997 ( 2.873 -0.000 22.510) 22.693 36.155 ( 5.982 -0.000 -7.300) 9.438 37.318 ( -3.835 0.000 -15.308) 15.781 40.046 ( 2.363 -0.000 21.017) 21.149 43.263 ( 4.964 -0.000 -7.927) 9.353 ======================= Grid point 248 (94/245) ======================= q-point: (-0.54 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -9.010 10.344 0.340) 13.722 1.951 ( -11.866 -7.688 -0.941) 14.170 1.995 ( -8.879 1.149 7.084) 11.416 2.177 ( -3.745 -0.339 3.651) 5.241 2.670 ( -3.138 1.287 1.835) 3.856 2.770 ( -12.590 3.023 11.474) 17.300 4.133 ( -15.101 1.407 62.133) 63.958 4.976 ( -17.206 0.678 3.106) 17.498 5.219 ( -6.374 -1.211 3.020) 7.156 5.790 ( -24.333 -0.209 -2.689) 24.482 7.256 ( -5.736 -0.143 -10.108) 11.623 8.083 ( -1.470 0.892 -1.860) 2.533 9.952 ( 1.302 4.550 37.603) 37.899 13.039 ( -21.685 -3.034 -3.699) 22.206 13.981 ( 51.092 0.035 -0.859) 51.099 17.467 ( -1.690 2.493 -11.887) 12.263 18.299 ( -0.573 1.090 5.346) 5.486 18.950 ( 31.001 8.861 -18.424) 37.135 19.402 ( -16.480 -11.492 15.445) 25.342 20.395 ( -19.351 4.414 7.619) 21.260 20.782 ( 1.040 -5.232 8.030) 9.641 20.805 ( -19.063 -2.318 13.497) 23.472 22.785 ( -15.388 1.593 11.409) 19.222 24.059 ( 2.962 -0.049 3.335) 4.461 24.741 ( 1.069 -2.067 -3.269) 4.013 24.902 ( -7.258 -0.720 8.118) 10.913 26.705 ( -2.690 0.760 -5.557) 6.221 28.625 ( 11.200 3.059 -13.098) 17.503 30.778 ( 11.480 -1.310 0.900) 11.589 31.738 ( 3.901 -0.494 -4.822) 6.222 32.512 ( 2.846 4.226 14.470) 15.341 33.060 ( 2.627 -3.863 23.220) 23.686 36.266 ( 5.595 -0.249 -7.386) 9.270 37.238 ( -3.885 1.888 -15.531) 16.121 40.092 ( 2.193 -0.872 21.439) 21.569 43.357 ( 5.142 0.612 -9.234) 10.586 ======================= Grid point 249 (95/245) ======================= q-point: (-0.46 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -4.601 16.028 6.967) 18.072 1.760 ( -10.737 7.757 12.083) 17.929 1.900 ( -3.818 -10.908 4.695) 12.474 2.062 ( -8.872 -7.423 9.751) 15.130 2.531 ( -4.619 13.891 8.211) 16.784 2.664 ( -0.589 0.361 2.938) 3.018 3.916 ( -6.693 2.551 74.589) 74.933 4.710 ( -10.034 1.542 1.823) 10.314 5.149 ( -2.520 -4.297 2.730) 5.681 5.416 ( -14.860 -0.626 -2.650) 15.107 7.199 ( -0.809 -0.191 -9.839) 9.874 8.060 ( -0.416 1.474 -2.665) 3.074 9.930 ( 0.542 9.023 36.733) 37.829 12.534 ( -29.337 -1.684 5.573) 29.909 14.766 ( 31.165 0.584 -4.881) 31.551 17.416 ( -1.596 3.654 -13.914) 14.474 18.274 ( -0.659 4.206 8.723) 9.706 19.147 ( -4.547 -4.916 12.983) 14.608 19.570 ( 21.027 -3.442 -25.514) 33.241 20.083 ( -10.231 -0.305 10.483) 14.651 20.565 ( -5.840 -4.113 11.984) 13.952 20.926 ( 8.424 -2.097 0.105) 8.682 22.482 ( -14.095 2.727 17.817) 22.881 24.099 ( 1.404 0.840 2.876) 3.309 24.317 ( -31.640 -4.793 25.192) 40.727 25.015 ( 7.221 0.997 -4.609) 8.624 26.704 ( 2.155 2.658 -8.155) 8.843 28.820 ( 10.312 2.675 -15.921) 19.157 30.958 ( 6.527 -1.073 2.411) 7.040 31.783 ( 0.894 0.599 -3.062) 3.245 32.515 ( 1.347 8.057 16.386) 18.309 33.134 ( 1.615 -7.519 22.727) 23.992 36.357 ( 3.541 -0.868 -7.494) 8.334 37.163 ( -2.279 3.378 -16.227) 16.731 40.136 ( 1.444 -2.288 22.270) 22.433 43.439 ( 3.705 0.818 -10.732) 11.383 ======================= Grid point 250 (96/245) ======================= q-point: (-0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.000 14.941 11.525) 18.870 1.511 ( 0.000 15.959 20.215) 25.756 1.929 ( -0.000 -9.604 5.607) 11.121 2.031 ( -0.000 -13.409 10.609) 17.099 2.388 ( 0.000 21.710 7.067) 22.831 2.657 ( 0.000 1.795 2.052) 2.726 3.843 ( 0.000 2.983 80.458) 80.513 4.602 ( 0.000 2.372 1.355) 2.732 5.168 ( -0.000 -7.829 2.362) 8.177 5.277 ( -0.000 -0.954 -2.689) 2.853 7.200 ( -0.000 -0.232 -10.350) 10.353 8.047 ( 0.000 1.925 -2.822) 3.416 9.872 ( 0.000 12.824 36.518) 38.705 12.197 ( 0.000 3.647 12.014) 12.555 15.063 ( 0.000 1.436 -6.515) 6.671 17.376 ( 0.000 4.603 -15.741) 16.400 18.233 ( 0.000 6.683 9.861) 11.912 19.149 ( -0.000 -12.234 12.707) 17.639 19.752 ( -0.000 -2.916 -14.320) 14.614 20.058 ( -0.000 -6.070 1.846) 6.345 20.583 ( -0.000 -4.139 -0.460) 4.164 21.028 ( 0.000 0.084 -4.228) 4.228 22.313 ( 0.000 3.634 21.880) 22.179 23.970 ( -0.000 -3.526 38.693) 38.853 24.103 ( 0.000 1.830 3.051) 3.558 25.077 ( 0.000 1.452 -4.289) 4.528 26.711 ( 0.000 3.984 -9.078) 9.914 28.918 ( 0.000 1.819 -18.739) 18.827 31.023 ( -0.000 -0.565 3.083) 3.135 31.777 ( 0.000 2.266 -2.090) 3.083 32.476 ( 0.000 9.703 18.842) 21.194 33.199 ( -0.000 -9.338 21.669) 23.595 36.398 ( -0.000 -1.491 -7.711) 7.854 37.120 ( 0.000 4.585 -17.296) 17.893 40.168 ( -0.000 -4.021 23.439) 23.782 43.472 ( 0.000 0.707 -11.701) 11.722 ======================= Grid point 261 (97/245) ======================= q-point: (-0.54 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -4.374 0.000 4.929) 6.590 1.734 ( -4.722 0.000 6.602) 8.117 1.853 ( -5.964 0.000 9.686) 11.375 2.007 ( -13.227 0.000 12.356) 18.100 2.637 ( -2.970 0.000 7.886) 8.426 2.643 ( -0.839 0.000 2.314) 2.462 3.931 ( -6.741 0.000 73.720) 74.028 4.719 ( -9.962 0.000 1.749) 10.114 5.123 ( -3.324 0.000 2.844) 4.375 5.413 ( -14.911 0.000 -2.600) 15.136 7.197 ( -0.791 0.000 -9.526) 9.559 8.069 ( -0.495 0.000 -2.750) 2.794 9.982 ( 0.557 -0.000 36.794) 36.798 12.525 ( -27.401 0.000 6.043) 28.060 14.770 ( 31.371 -0.000 -4.908) 31.753 17.438 ( -1.895 0.000 -13.437) 13.570 18.298 ( -0.069 0.000 9.174) 9.175 19.116 ( -8.720 0.000 17.259) 19.337 19.550 ( 23.648 -0.000 -29.976) 38.181 20.082 ( -11.955 0.000 10.521) 15.925 20.541 ( -5.567 0.000 11.681) 12.939 20.914 ( 9.871 -0.000 0.059) 9.871 22.497 ( -14.215 0.000 17.704) 22.705 24.104 ( 1.653 -0.000 2.806) 3.257 24.290 ( -30.501 0.000 24.808) 39.316 25.021 ( 7.209 -0.000 -4.707) 8.610 26.720 ( 2.301 -0.000 -8.016) 8.340 28.834 ( 9.344 -0.000 -15.402) 18.015 30.951 ( 6.920 -0.000 2.604) 7.393 31.786 ( 1.394 -0.000 -2.942) 3.255 32.567 ( 1.581 -0.000 14.160) 14.248 33.086 ( 1.374 -0.000 24.251) 24.290 36.351 ( 3.445 -0.000 -7.299) 8.072 37.182 ( -2.464 0.000 -15.827) 16.018 40.123 ( 1.305 -0.000 21.658) 21.697 43.443 ( 3.526 -0.000 -10.656) 11.224 ======================= Grid point 263 (98/245) ======================= q-point: (-0.46 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.000 10.885 8.085) 13.559 1.692 ( 0.000 15.527 17.403) 23.323 1.817 ( -0.000 -9.058 7.912) 12.027 1.870 ( -0.000 -14.702 12.861) 19.534 2.575 ( 0.000 11.087 5.104) 12.205 2.654 ( -0.000 -2.671 2.991) 4.011 3.869 ( 0.000 1.324 78.547) 78.558 4.621 ( 0.000 0.873 1.228) 1.507 5.102 ( -0.000 -3.210 2.620) 4.144 5.269 ( -0.000 -0.363 -2.630) 2.655 7.198 ( -0.000 -0.117 -9.643) 9.643 8.062 ( 0.000 0.674 -3.027) 3.101 9.974 ( 0.000 4.655 36.559) 36.854 12.225 ( 0.000 1.323 11.771) 11.845 15.074 ( 0.000 0.518 -6.682) 6.702 17.412 ( 0.000 1.655 -14.482) 14.577 18.289 ( 0.000 2.765 11.146) 11.484 19.050 ( -0.000 -4.618 14.945) 15.642 19.727 ( -0.000 -1.244 -19.056) 19.097 20.009 ( -0.000 -2.237 3.466) 4.125 20.550 ( -0.000 -1.489 -0.109) 1.493 21.029 ( 0.000 0.031 -4.115) 4.115 22.341 ( 0.000 1.270 21.604) 21.641 23.945 ( -0.000 -0.954 36.508) 36.521 24.117 ( 0.000 0.650 2.922) 2.994 25.089 ( 0.000 0.523 -4.530) 4.560 26.743 ( 0.000 1.466 -8.961) 9.081 28.929 ( 0.000 0.365 -16.807) 16.811 31.018 ( -0.000 -0.187 3.192) 3.197 31.795 ( 0.000 0.801 -2.153) 2.297 32.567 ( 0.000 5.040 14.930) 15.757 33.112 ( -0.000 -4.691 23.945) 24.401 36.386 ( -0.000 -0.525 -7.310) 7.329 37.154 ( 0.000 1.474 -16.141) 16.209 40.139 ( -0.000 -1.247 21.973) 22.008 43.477 ( 0.000 0.210 -11.345) 11.347 ======================= Grid point 350 (99/245) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.000 0.000 22.635) 22.635 1.379 ( 0.000 0.000 28.547) 28.547 1.891 ( 0.000 0.000 37.461) 37.461 2.253 ( 0.000 0.000 2.259) 2.259 2.400 ( 0.000 0.000 -2.984) 2.984 2.699 ( 0.000 0.000 12.592) 12.592 4.530 ( 0.000 0.000 4.435) 4.435 5.089 ( 0.000 0.000 7.301) 7.301 5.239 ( 0.000 0.000 -5.778) 5.778 5.735 ( 0.000 0.000 37.958) 37.958 6.774 ( 0.000 0.000 -22.341) 22.341 7.767 ( 0.000 0.000 -8.435) 8.435 10.158 ( 0.000 0.000 62.037) 62.037 12.362 ( 0.000 0.000 24.772) 24.772 14.812 ( 0.000 0.000 -11.290) 11.290 16.018 ( 0.000 0.000 -29.955) 29.955 18.247 ( 0.000 0.000 -3.531) 3.531 19.295 ( 0.000 0.000 -18.276) 18.276 20.510 ( 0.000 0.000 25.690) 25.690 20.611 ( 0.000 0.000 21.763) 21.763 20.757 ( 0.000 0.000 -5.112) 5.112 20.889 ( 0.000 0.000 -7.868) 7.868 22.736 ( 0.000 0.000 41.926) 41.926 24.101 ( 0.000 0.000 7.546) 7.546 24.916 ( 0.000 0.000 -4.777) 4.777 25.902 ( 0.000 0.000 -4.180) 4.180 26.483 ( 0.000 0.000 -0.204) 0.204 27.217 ( 0.000 0.000 -6.727) 6.727 31.133 ( 0.000 0.000 3.814) 3.814 31.577 ( 0.000 0.000 -2.851) 2.851 33.422 ( 0.000 0.000 24.506) 24.506 33.742 ( 0.000 0.000 18.336) 18.336 35.929 ( 0.000 0.000 -9.477) 9.477 36.350 ( 0.000 0.000 -14.309) 14.309 41.474 ( 0.000 0.000 11.362) 11.362 42.984 ( 0.000 0.000 -10.716) 10.716 ======================= Grid point 351 (100/245) ======================= q-point: ( 0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 8.985 -9.721 18.374) 22.645 1.230 ( -8.208 -2.890 27.983) 29.304 2.124 ( 14.784 0.117 22.962) 27.310 2.296 ( 4.713 -0.023 2.262) 5.228 2.425 ( 4.544 -1.083 2.839) 5.466 2.678 ( -1.768 0.426 10.602) 10.757 4.630 ( 10.229 -0.674 6.346) 12.056 5.125 ( 4.296 1.170 8.846) 9.903 5.381 ( 14.590 0.156 -5.163) 15.477 5.521 ( -15.289 -1.246 50.814) 53.079 6.804 ( 2.997 -0.986 -22.045) 22.270 7.778 ( 0.677 -1.551 -7.877) 8.057 10.141 ( -1.753 -4.214 63.332) 63.496 12.875 ( 40.999 2.419 -5.934) 41.497 14.566 ( -25.875 -0.269 -10.293) 27.848 16.063 ( 2.026 -8.605 -30.336) 31.598 18.204 ( -4.011 1.974 -3.293) 5.553 18.843 ( -36.713 -1.927 -7.679) 37.557 20.314 ( -10.379 0.620 15.673) 18.808 20.530 ( 2.268 2.694 18.374) 18.708 21.115 ( 22.763 2.296 0.843) 22.894 21.184 ( 22.066 1.410 3.996) 22.469 22.785 ( 4.299 -1.235 38.391) 38.650 24.137 ( 3.555 -0.198 7.615) 8.406 24.850 ( -5.604 -0.364 -2.996) 6.365 26.150 ( 16.681 2.463 -16.899) 23.872 26.330 ( -3.679 23.508 5.285) 24.374 27.267 ( -3.566 -25.097 -9.428) 27.046 31.080 ( -5.561 0.274 3.475) 6.563 31.611 ( 2.649 -0.572 -6.096) 6.672 33.301 ( -8.367 10.294 25.610) 28.841 33.744 ( -2.162 -5.339 18.838) 19.699 35.933 ( -1.285 -4.327 -10.464) 11.396 36.382 ( 3.290 -1.353 -14.607) 15.034 41.273 ( -15.578 6.125 21.311) 27.098 42.986 ( -0.581 -2.083 -11.145) 11.352 ======================= Grid point 352 (101/245) ======================= q-point: ( 0.15 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 8.483 -5.167 13.676) 16.902 1.292 ( 10.754 -13.641 12.261) 21.261 2.239 ( 1.018 1.590 0.921) 2.101 2.404 ( 5.654 0.200 1.421) 5.833 2.619 ( 4.331 1.708 7.438) 8.775 2.688 ( 11.173 -3.873 11.736) 16.660 4.890 ( 15.846 -1.531 13.950) 21.167 5.240 ( 8.920 0.459 14.820) 17.303 5.388 ( 0.635 -3.580 46.400) 46.542 5.742 ( 22.987 0.206 -5.037) 23.534 6.899 ( 6.445 -1.363 -20.951) 21.962 7.816 ( 2.370 -2.600 -6.140) 7.076 10.163 ( 0.304 -8.514 63.361) 63.932 13.420 ( 15.903 7.446 -24.880) 30.452 13.893 ( -44.971 -0.504 -6.267) 45.408 16.183 ( 3.395 -14.504 -30.982) 34.377 18.092 ( -6.451 -0.198 -3.686) 7.433 18.293 ( -20.348 -3.174 -1.718) 20.666 20.242 ( 3.138 0.532 13.550) 13.919 20.631 ( 9.675 4.103 16.126) 19.248 21.493 ( 20.453 5.380 5.883) 21.952 21.576 ( 21.309 4.441 10.060) 23.979 22.874 ( 2.932 -2.731 28.669) 28.948 24.218 ( 4.798 0.958 8.475) 9.786 24.722 ( -8.824 0.070 -1.100) 8.892 25.885 ( -22.514 8.715 -4.083) 24.485 26.573 ( 23.242 18.086 -9.725) 31.014 27.339 ( -4.815 -26.784 -11.601) 29.583 30.928 ( -10.258 0.791 2.274) 10.537 31.644 ( -0.037 0.333 -11.872) 11.877 33.049 ( -11.451 9.002 27.834) 31.415 33.710 ( -4.127 -3.650 20.318) 21.051 35.919 ( -2.873 -4.213 -11.562) 12.636 36.491 ( 6.585 -3.529 -16.415) 18.036 40.961 ( -12.855 5.280 29.540) 32.645 42.981 ( -1.299 -2.044 -11.556) 11.807 ======================= Grid point 353 (102/245) ======================= q-point: ( 0.23 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 15.445 -5.671 1.726) 16.544 1.571 ( 10.916 -12.356 5.089) 17.255 2.229 ( -0.833 0.410 -1.949) 2.159 2.468 ( 1.765 3.146 1.711) 3.992 2.669 ( 4.949 -1.726 -1.849) 5.558 2.972 ( 13.287 -2.003 5.667) 14.583 5.202 ( 16.094 -2.523 28.374) 32.718 5.438 ( 10.517 -1.537 8.153) 13.395 5.562 ( 15.204 -2.024 36.119) 39.241 6.190 ( 24.145 0.084 -6.157) 24.917 7.054 ( 9.058 -1.449 -19.536) 21.582 7.906 ( 5.686 -3.424 -3.496) 7.501 10.249 ( 2.725 -11.765 63.055) 64.201 12.965 ( -53.019 -0.933 1.035) 53.037 13.394 ( -11.772 6.451 -19.623) 23.775 16.347 ( 5.265 -15.232 -30.345) 34.359 17.940 ( -10.789 -1.632 -4.147) 11.673 18.168 ( 3.174 -3.617 -4.321) 6.467 20.395 ( 13.233 2.828 12.874) 18.677 20.837 ( 14.499 2.560 11.744) 18.833 21.813 ( 17.667 8.387 8.229) 21.218 21.929 ( 19.888 6.013 13.247) 24.641 22.898 ( -2.602 -4.124 14.912) 15.689 24.286 ( 3.133 3.289 10.278) 11.237 24.508 ( -13.171 1.794 1.763) 13.409 25.378 ( -26.522 5.773 -2.948) 27.303 26.866 ( 16.910 8.777 -8.851) 21.007 27.396 ( -3.115 -19.650 -10.871) 22.671 30.699 ( -13.136 1.601 0.164) 13.234 31.588 ( -5.234 2.728 -17.065) 18.057 32.813 ( -9.230 3.877 29.820) 31.456 33.639 ( -4.871 -1.375 22.257) 22.826 35.877 ( -3.598 -2.568 -11.970) 12.760 36.648 ( 7.247 -4.653 -18.773) 20.654 40.745 ( -7.972 3.439 30.645) 31.851 42.962 ( -1.780 -1.507 -11.865) 12.092 ======================= Grid point 354 (103/245) ======================= q-point: ( 0.31 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 7.980 -7.277 1.535) 10.908 1.881 ( 15.373 -6.036 -5.849) 17.520 2.210 ( -1.175 -0.136 -2.045) 2.362 2.464 ( 0.275 2.274 -2.291) 3.240 2.801 ( 7.034 -2.349 -4.155) 8.500 3.187 ( 9.048 -0.278 -3.296) 9.634 5.519 ( 16.147 -2.466 35.604) 39.172 5.636 ( 9.843 -0.965 7.822) 12.609 5.891 ( 16.968 -1.655 24.140) 29.553 6.611 ( 20.339 -0.357 -7.780) 21.779 7.239 ( 9.433 -1.362 -18.577) 20.879 8.069 ( 9.483 -3.582 -1.194) 10.206 10.398 ( 5.607 -12.868 63.026) 64.570 11.996 ( -49.991 -1.319 10.366) 51.071 13.018 ( -22.838 4.010 -11.152) 25.730 16.557 ( 8.245 -13.874 -30.166) 34.212 17.757 ( -8.838 0.181 -2.493) 9.185 18.309 ( 7.118 -4.331 -3.917) 9.207 20.669 ( 18.179 5.835 9.791) 21.457 21.125 ( 16.298 0.980 6.485) 17.569 22.044 ( 12.179 8.615 8.657) 17.248 22.251 ( 18.320 5.948 15.065) 24.453 22.838 ( -5.929 -5.029 0.820) 7.818 24.182 ( -12.277 6.449 3.075) 14.205 24.334 ( -2.955 1.733 14.580) 14.977 24.856 ( -26.649 1.113 -2.303) 26.772 27.112 ( 12.432 1.272 -7.619) 14.636 27.450 ( -0.915 -12.706 -9.706) 16.016 30.437 ( -13.298 2.262 -2.441) 13.708 31.431 ( -8.596 4.602 -19.849) 22.114 32.671 ( -5.062 -0.273 29.547) 29.978 33.552 ( -4.577 0.091 24.279) 24.707 35.821 ( -3.405 -1.283 -12.086) 12.622 36.799 ( 5.938 -4.363 -20.625) 21.902 40.611 ( -4.945 2.178 30.069) 30.551 42.934 ( -1.897 -0.985 -12.135) 12.322 ======================= Grid point 355 (104/245) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 5.290 -5.053 -1.394) 7.447 2.145 ( 6.691 0.301 -4.370) 7.997 2.198 ( 3.024 -2.545 -6.453) 7.568 2.459 ( -0.284 0.214 -5.972) 5.982 2.936 ( 5.695 -2.115 -4.741) 7.706 3.316 ( 5.111 0.819 -10.161) 11.403 5.795 ( 8.681 -0.442 15.015) 17.350 5.819 ( 11.721 -1.528 33.110) 35.157 6.170 ( 11.466 -1.091 15.357) 19.196 6.938 ( 14.155 -0.684 -8.757) 16.659 7.402 ( 6.840 -1.036 -18.357) 19.618 8.281 ( 10.550 -2.771 -1.433) 11.002 10.594 ( 7.574 -10.749 64.106) 65.441 11.173 ( -37.531 -1.123 20.463) 42.762 12.569 ( -21.566 2.861 -6.618) 22.739 16.792 ( 8.591 -10.542 -30.879) 33.741 17.612 ( -6.388 0.747 -0.135) 6.433 18.440 ( 4.406 -2.592 0.307) 5.121 20.985 ( 18.800 6.370 4.558) 20.366 21.377 ( 10.146 2.104 2.150) 10.583 22.178 ( 6.565 3.524 5.240) 9.109 22.518 ( 9.493 3.784 18.347) 21.001 22.786 ( 2.390 -2.714 -9.352) 10.027 23.954 ( -8.077 4.499 12.778) 15.772 24.146 ( -18.510 1.970 7.067) 19.911 24.467 ( -11.784 -0.974 1.987) 11.990 27.307 ( 7.951 -2.225 -7.137) 10.914 27.502 ( 0.320 -6.862 -9.144) 11.437 30.200 ( -10.161 2.149 -4.777) 11.432 31.248 ( -7.503 4.129 -20.718) 22.418 32.612 ( -2.183 -1.524 27.734) 27.861 33.475 ( -3.301 0.604 26.057) 26.272 35.770 ( -2.423 -0.529 -12.068) 12.321 36.912 ( 3.772 -3.060 -21.853) 22.386 40.529 ( -2.855 1.250 29.563) 29.727 42.906 ( -1.482 -0.541 -12.328) 12.428 ======================= Grid point 356 (105/245) ======================= q-point: ( 0.46 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 3.548 -3.192 -3.522) 5.931 2.122 ( -2.321 2.183 -1.209) 3.408 2.351 ( 6.513 -0.963 -10.047) 12.013 2.436 ( -2.673 -0.430 -8.070) 8.512 3.023 ( 2.247 -0.940 -4.629) 5.231 3.373 ( 1.632 0.548 -14.021) 14.127 5.894 ( 2.666 -0.059 8.441) 8.853 6.000 ( 5.278 -0.550 44.993) 45.305 6.318 ( 3.905 -0.379 8.054) 8.959 7.128 ( 5.346 -0.344 -9.028) 10.498 7.493 ( 2.399 -0.398 -18.553) 18.712 8.453 ( 5.290 -1.087 -4.300) 6.904 10.664 ( -13.962 -0.505 29.178) 32.351 10.772 ( 3.534 -4.455 66.909) 67.150 12.247 ( -9.722 1.469 -7.151) 12.158 16.962 ( 4.116 -4.217 -32.386) 32.918 17.518 ( -2.825 0.559 2.442) 3.776 18.502 ( 1.360 -0.779 3.474) 3.811 21.268 ( 13.603 3.346 -0.806) 14.032 21.438 ( -2.586 1.386 0.960) 3.087 22.273 ( 4.426 -0.658 2.158) 4.968 22.480 ( -5.922 0.260 1.479) 6.110 23.082 ( 24.035 1.493 6.163) 24.858 23.593 ( -27.428 -0.396 14.622) 31.085 23.970 ( 0.467 1.541 6.631) 6.824 24.340 ( -3.895 -0.198 3.889) 5.508 27.421 ( 2.747 -1.647 -7.088) 7.778 27.534 ( 0.337 -1.873 -8.989) 9.188 30.056 ( -3.865 0.912 -6.126) 7.300 31.130 ( -2.915 1.636 -21.039) 21.303 32.595 ( -0.589 -0.730 26.412) 26.429 33.429 ( -1.211 0.312 27.142) 27.171 35.741 ( -0.876 -0.135 -12.024) 12.057 36.971 ( 1.285 -1.100 -22.473) 22.536 40.489 ( -0.954 0.413 29.332) 29.350 42.888 ( -0.564 -0.170 -12.423) 12.437 ======================= Grid point 364 (106/245) ======================= q-point: ( 0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 13.093 -0.000 12.708) 18.247 1.215 ( 7.975 -0.000 14.826) 16.834 2.249 ( 0.402 -0.000 0.364) 0.542 2.403 ( 6.414 -0.000 1.324) 6.549 2.643 ( -1.574 0.000 5.163) 5.398 2.653 ( 17.076 -0.000 14.652) 22.500 4.881 ( 15.729 -0.000 14.486) 21.384 5.246 ( 8.190 -0.000 7.014) 10.783 5.363 ( 1.118 -0.000 54.348) 54.360 5.743 ( 22.959 -0.000 -5.095) 23.518 6.891 ( 6.568 -0.000 -21.331) 22.319 7.800 ( 2.419 -0.000 -6.132) 6.592 10.114 ( 0.330 -0.000 62.897) 62.898 13.465 ( 15.588 -0.000 -28.236) 32.253 13.890 ( -45.022 0.000 -6.373) 45.470 16.096 ( 4.341 -0.000 -29.735) 30.050 18.092 ( -8.131 0.000 -4.048) 9.083 18.274 ( -19.135 0.000 -0.961) 19.159 20.244 ( 3.328 -0.000 13.786) 14.182 20.655 ( 9.057 -0.000 16.009) 18.394 21.525 ( 20.753 -0.000 5.610) 21.498 21.602 ( 21.400 -0.000 9.655) 23.477 22.858 ( 2.856 -0.000 29.204) 29.343 24.223 ( 5.265 -0.000 8.581) 10.067 24.722 ( -8.445 0.000 -0.599) 8.466 25.930 ( -23.252 0.000 -7.628) 24.471 26.741 ( 21.209 -0.000 -13.316) 25.043 27.126 ( -3.029 0.000 -5.890) 6.623 30.932 ( -10.168 0.000 2.350) 10.436 31.646 ( 0.453 -0.000 -11.868) 11.877 33.109 ( -13.814 0.000 26.124) 29.551 33.684 ( -2.941 0.000 19.419) 19.641 35.892 ( -1.917 0.000 -10.049) 10.230 36.471 ( 6.530 -0.000 -16.217) 17.482 40.992 ( -14.214 0.000 29.264) 32.533 42.969 ( -0.872 0.000 -11.023) 11.057 ======================= Grid point 365 (107/245) ======================= q-point: ( 0.15 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 12.705 -3.928 6.705) 14.893 1.478 ( 17.101 -2.925 0.779) 17.367 2.233 ( -1.255 0.213 -2.532) 2.834 2.492 ( 2.005 0.992 1.704) 2.812 2.656 ( 4.091 -0.541 -2.161) 4.659 2.956 ( 14.314 -0.742 6.602) 15.781 5.181 ( 15.975 -1.034 30.694) 34.618 5.425 ( 10.499 -0.601 7.401) 12.860 5.544 ( 15.864 -0.850 35.873) 39.233 6.191 ( 24.018 0.034 -6.275) 24.824 7.042 ( 9.202 -0.557 -19.904) 21.935 7.878 ( 5.792 -1.301 -3.334) 6.808 10.157 ( 3.126 -4.160 62.203) 62.420 12.958 ( -53.161 -0.350 0.693) 53.166 13.447 ( -13.697 2.512 -22.092) 26.115 16.223 ( 7.399 -5.788 -30.006) 31.442 17.928 ( -9.370 -0.518 -4.400) 10.365 18.140 ( 2.237 -1.287 -4.659) 5.326 20.417 ( 14.276 0.944 13.892) 19.942 20.858 ( 13.141 0.940 11.426) 17.439 21.883 ( 18.143 3.432 7.109) 19.785 21.973 ( 19.069 1.784 12.843) 23.060 22.865 ( -2.747 -1.533 16.129) 16.433 24.313 ( 4.212 1.310 10.720) 11.592 24.521 ( -12.957 0.543 2.809) 13.269 25.426 ( -28.912 2.239 -5.584) 29.531 26.996 ( 11.516 13.842 -9.470) 20.344 27.180 ( 2.660 -17.821 -9.337) 20.294 30.711 ( -13.049 0.508 0.417) 13.066 31.609 ( -4.391 0.966 -17.455) 18.025 32.851 ( -11.789 2.160 28.552) 30.966 33.623 ( -3.933 -0.943 20.919) 21.307 35.854 ( -2.688 -1.175 -10.725) 11.119 36.612 ( 7.638 -1.617 -18.426) 20.012 40.773 ( -9.032 1.304 30.760) 32.085 42.950 ( -1.370 -0.578 -11.415) 11.511 ======================= Grid point 366 (108/245) ======================= q-point: ( 0.23 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 9.677 -4.830 2.849) 11.184 1.831 ( 17.643 -2.869 -7.461) 19.369 2.210 ( -1.125 0.070 -2.448) 2.695 2.485 ( -0.921 1.232 -2.167) 2.657 2.778 ( 7.064 -1.541 -4.547) 8.541 3.185 ( 9.889 -0.100 -2.290) 10.151 5.494 ( 16.594 -1.697 38.499) 41.957 5.626 ( 10.158 -0.728 7.703) 12.769 5.876 ( 17.333 -0.939 22.864) 28.707 6.607 ( 20.100 -0.208 -7.989) 21.630 7.226 ( 9.626 -0.825 -18.717) 21.063 8.035 ( 9.883 -2.152 -0.715) 10.140 10.282 ( 6.819 -7.162 61.915) 62.700 11.984 ( -49.966 -0.780 9.831) 50.930 13.055 ( -24.083 2.284 -11.939) 26.977 16.431 ( 10.572 -7.813 -30.235) 32.969 17.761 ( -8.288 0.334 -3.271) 8.916 18.267 ( 7.729 -2.788 -4.887) 9.560 20.721 ( 18.690 3.248 12.144) 22.524 21.132 ( 15.951 0.257 5.200) 16.779 22.134 ( 11.185 6.512 6.639) 14.546 22.298 ( 17.121 2.316 15.580) 23.264 22.789 ( -5.960 -3.303 1.820) 7.053 24.240 ( -13.707 3.370 6.635) 15.597 24.356 ( -0.444 2.075 13.397) 13.564 24.864 ( -29.509 0.458 -4.773) 29.896 27.113 ( 6.212 -0.790 -5.904) 8.607 27.342 ( 6.485 -5.983 -10.937) 14.053 30.455 ( -13.515 0.974 -2.034) 13.702 31.475 ( -8.352 2.846 -21.029) 22.805 32.673 ( -6.365 0.455 29.555) 30.236 33.550 ( -4.144 -0.323 22.950) 23.324 35.807 ( -2.853 -0.974 -11.301) 11.697 36.760 ( 6.724 -2.410 -20.317) 21.536 40.631 ( -5.635 1.264 30.195) 30.743 42.925 ( -1.578 -0.576 -11.830) 11.949 ======================= Grid point 367 (109/245) ======================= q-point: ( 0.31 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 6.837 -3.616 -0.536) 7.753 2.138 ( 13.357 -1.405 -10.253) 16.897 2.187 ( -1.165 0.388 -2.278) 2.588 2.460 ( -1.325 -0.053 -5.797) 5.947 2.912 ( 5.819 -2.011 -5.124) 8.010 3.326 ( 5.488 0.794 -9.218) 10.757 5.789 ( 10.631 -0.574 24.668) 26.868 5.802 ( 10.578 -1.283 25.665) 27.789 6.159 ( 11.893 -0.740 14.308) 18.620 6.931 ( 14.151 -0.538 -8.952) 16.753 7.391 ( 7.151 -0.767 -18.306) 19.668 8.253 ( 11.322 -2.117 -0.722) 11.541 10.486 ( 10.104 -7.719 62.834) 64.107 11.162 ( -37.258 -0.862 19.747) 42.176 12.598 ( -22.010 2.109 -6.238) 22.974 16.689 ( 11.865 -7.102 -30.768) 33.733 17.621 ( -6.354 0.664 -1.018) 6.469 18.408 ( 5.184 -2.650 -0.689) 5.862 21.046 ( 17.664 4.251 7.805) 19.774 21.398 ( 11.093 1.325 -0.018) 11.172 22.226 ( 3.243 4.642 3.500) 6.657 22.540 ( 4.447 0.218 16.949) 17.524 22.762 ( 7.434 -1.470 -6.660) 10.089 23.996 ( -11.197 2.525 17.322) 20.780 24.195 ( -17.432 6.500 2.365) 18.754 24.439 ( -12.028 -4.054 2.222) 12.886 27.235 ( 3.814 -7.982 -5.466) 10.399 27.483 ( 7.110 1.347 -10.643) 12.870 30.216 ( -11.014 0.790 -4.318) 11.857 31.294 ( -8.245 3.609 -21.859) 23.640 32.599 ( -2.117 -0.798 28.219) 28.310 33.479 ( -3.337 0.162 25.051) 25.273 35.763 ( -2.164 -0.593 -11.642) 11.856 36.882 ( 4.851 -2.105 -21.643) 22.280 40.542 ( -3.377 0.896 29.614) 29.820 42.901 ( -1.241 -0.393 -12.157) 12.226 ======================= Grid point 368 (110/245) ======================= q-point: ( 0.38 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 4.582 -2.541 -2.900) 5.989 2.151 ( -1.706 2.467 -1.386) 3.304 2.343 ( 7.850 -0.366 -11.426) 13.868 2.429 ( -2.602 -0.861 -7.378) 7.870 3.006 ( 2.740 -1.851 -4.978) 5.976 3.384 ( 1.431 1.080 -13.490) 13.609 5.892 ( 2.628 -0.354 8.439) 8.846 5.994 ( 5.971 -0.481 45.851) 46.241 6.315 ( 4.358 -0.261 7.612) 8.775 7.124 ( 5.690 -0.353 -9.124) 10.759 7.489 ( 2.843 -0.342 -18.492) 18.713 8.440 ( 6.456 -1.034 -3.853) 7.589 10.658 ( -12.069 -0.469 30.773) 33.059 10.720 ( 6.503 -4.421 63.702) 64.185 12.266 ( -10.782 1.759 -6.211) 12.567 16.922 ( 8.973 -2.806 -32.088) 33.437 17.524 ( -3.393 0.337 1.755) 3.835 18.485 ( 1.758 -1.971 2.997) 3.995 21.302 ( 11.060 2.609 2.509) 11.637 21.456 ( -4.730 1.416 -1.756) 5.240 22.271 ( 4.076 0.266 1.694) 4.422 22.477 ( -5.707 -0.605 0.553) 5.765 23.098 ( 23.946 1.216 8.394) 25.404 23.587 ( -28.594 -0.453 12.975) 31.403 24.010 ( 0.041 5.277 6.892) 8.680 24.322 ( -4.592 -2.924 4.289) 6.931 27.333 ( 0.991 -9.333 -5.555) 10.906 27.585 ( 6.106 6.488 -10.572) 13.825 30.057 ( -5.372 -0.502 -5.782) 7.908 31.154 ( -4.323 2.413 -21.548) 22.110 32.588 ( 0.212 -0.471 26.645) 26.650 33.431 ( -1.588 0.054 26.753) 26.800 35.738 ( -0.777 -0.332 -11.864) 11.894 36.960 ( 2.569 -0.821 -22.401) 22.563 40.493 ( -1.435 0.342 29.342) 29.379 42.886 ( -0.365 -0.146 -12.367) 12.374 ======================= Grid point 369 (111/245) ======================= q-point: (-0.54 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -0.712 0.724 -4.916) 5.019 2.113 ( 1.013 1.350 -0.062) 1.689 2.361 ( -5.014 0.668 -7.833) 9.324 2.440 ( 2.814 0.334 -9.647) 10.054 3.025 ( -1.568 -0.547 -4.532) 4.827 3.373 ( -1.977 0.392 -14.457) 14.597 5.893 ( -2.702 -0.322 8.384) 8.814 6.006 ( -4.662 0.501 44.018) 44.267 6.323 ( -3.422 0.423 8.623) 9.287 7.132 ( -4.986 0.254 -8.999) 10.291 7.498 ( -1.936 0.363 -18.603) 18.707 8.464 ( -4.087 0.871 -4.687) 6.280 10.669 ( 14.996 0.399 28.791) 32.464 10.817 ( 0.949 3.224 68.481) 68.563 12.235 ( 8.278 -0.641 -7.668) 11.302 17.015 ( 1.101 4.961 -32.835) 33.226 17.511 ( 2.308 -0.720 3.030) 3.876 18.500 ( -0.944 -1.019 3.651) 3.907 21.226 ( -17.163 -3.915 -2.946) 17.849 21.429 ( 1.286 -0.254 3.063) 3.331 22.287 ( -4.213 1.802 3.084) 5.523 22.469 ( 4.877 -1.625 2.814) 5.860 23.066 ( -24.074 -1.096 3.489) 24.351 23.594 ( 26.048 -0.337 16.323) 30.742 23.979 ( -0.543 3.037 5.104) 5.964 24.326 ( 3.368 -2.555 4.246) 5.991 27.364 ( -3.166 -7.391 -5.616) 9.808 27.632 ( 4.266 10.885 -10.634) 15.804 30.036 ( 2.315 -2.464 -6.032) 6.915 31.119 ( 1.402 -0.237 -20.755) 20.804 32.604 ( 1.509 0.852 26.114) 26.172 33.424 ( 0.752 -0.543 27.588) 27.604 35.741 ( 0.964 -0.126 -12.097) 12.136 36.984 ( 0.072 1.138 -22.573) 22.602 40.484 ( 0.447 -0.390 29.323) 29.329 42.890 ( 0.773 0.153 -12.481) 12.506 ======================= Grid point 370 (112/245) ======================= q-point: (-0.46 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -3.980 5.048 -2.669) 6.960 2.140 ( -1.250 -0.233 -1.316) 1.830 2.237 ( -5.329 3.791 -6.721) 9.378 2.455 ( -0.841 -0.519 -6.571) 6.644 2.956 ( -5.344 1.162 -4.273) 6.940 3.309 ( -4.807 -0.269 -11.408) 12.383 5.798 ( -7.766 0.033 10.813) 13.313 5.835 ( -11.952 1.285 34.793) 36.811 6.183 ( -10.974 1.211 16.605) 19.941 6.946 ( -14.135 0.660 -8.583) 16.550 7.414 ( -6.504 1.051 -18.401) 19.545 8.313 ( -9.685 2.681 -2.240) 10.296 10.721 ( -4.222 11.154 65.613) 66.688 11.186 ( 37.863 1.048 21.198) 43.406 12.536 ( 20.819 -2.849 -7.041) 22.162 16.923 ( -4.794 12.062 -31.031) 33.636 17.605 ( 6.804 -0.454 0.674) 6.852 18.461 ( -3.431 0.942 1.216) 3.760 20.902 ( -20.259 -8.094 1.979) 21.906 21.358 ( -9.372 -1.023 3.884) 10.197 22.150 ( -9.787 -1.400 7.491) 12.404 22.456 ( -13.657 -6.674 18.589) 24.012 22.819 ( 1.235 2.917 -11.023) 11.470 23.904 ( 6.214 -3.906 9.690) 12.156 24.146 ( 17.830 1.601 9.674) 20.348 24.462 ( 11.669 -1.814 2.140) 12.002 27.287 ( -8.802 -4.157 -6.081) 11.478 27.631 ( 3.510 13.715 -10.565) 17.665 30.166 ( 9.268 -3.789 -4.921) 11.156 31.206 ( 6.535 -3.072 -19.565) 20.855 32.633 ( 2.572 2.078 26.956) 27.158 33.465 ( 3.071 -1.110 27.328) 27.522 35.775 ( 2.654 0.219 -12.409) 12.691 36.949 ( -2.482 3.338 -22.136) 22.523 40.514 ( 2.246 -1.310 29.506) 29.620 42.912 ( 1.764 0.558 -12.530) 12.666 ======================= Grid point 371 (113/245) ======================= q-point: (-0.38 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -7.606 6.731 -0.852) 10.193 1.968 ( -10.475 8.978 -2.759) 14.070 2.214 ( 1.036 0.579 -1.583) 1.978 2.434 ( -2.024 -3.028 -2.589) 4.469 2.828 ( -6.886 2.188 -3.553) 8.052 3.192 ( -7.896 0.629 -4.788) 9.256 5.547 ( -15.666 2.267 31.983) 35.686 5.645 ( -9.538 0.571 8.065) 12.504 5.912 ( -16.531 1.965 25.666) 30.592 6.615 ( -20.633 0.428 -7.521) 21.965 7.255 ( -9.228 1.489 -18.361) 20.604 8.113 ( -8.978 3.950 -1.867) 9.984 10.564 ( -3.724 15.728 64.483) 66.478 12.012 ( 50.027 1.475 11.039) 51.252 12.967 ( 21.218 -4.788 -10.089) 23.978 16.736 ( -5.470 16.899 -30.037) 34.896 17.759 ( 9.831 0.661 -1.690) 9.998 18.358 ( -5.999 3.953 -2.632) 7.651 20.590 ( -17.659 -8.077 7.366) 20.768 21.112 ( -16.457 -0.913 7.759) 18.218 21.949 ( -14.326 -7.746 10.734) 19.505 22.165 ( -19.882 -8.838 15.352) 26.629 22.898 ( 6.312 5.194 -0.734) 8.207 24.106 ( 11.740 -6.399 0.024) 13.371 24.316 ( 3.252 -1.439 15.041) 15.456 24.840 ( 24.350 -1.655 0.183) 24.407 27.088 ( -14.331 -2.628 -7.051) 16.186 27.617 ( 4.323 15.836 -10.955) 19.735 30.402 ( 13.141 -3.777 -2.702) 13.938 31.377 ( 8.702 -4.593 -18.110) 20.610 32.682 ( 4.103 1.741 28.854) 29.196 33.546 ( 4.768 -1.051 26.186) 26.638 35.834 ( 3.940 0.944 -12.818) 13.443 36.856 ( -4.812 5.344 -21.105) 22.296 40.583 ( 4.049 -2.532 29.901) 30.280 42.946 ( 2.306 1.133 -12.547) 12.808 ======================= Grid point 372 (114/245) ======================= q-point: (-0.31 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -14.007 7.992 1.619) 16.208 1.736 ( -7.231 15.786 4.336) 17.897 2.225 ( 0.183 -0.279 -1.042) 1.094 2.421 ( -2.174 -5.093 1.613) 5.768 2.694 ( -5.434 2.506 -1.309) 6.126 3.000 ( -11.680 2.887 4.189) 12.740 5.234 ( -16.158 2.868 25.004) 29.908 5.457 ( -10.083 1.642 8.545) 13.318 5.587 ( -14.904 2.285 37.012) 39.966 6.189 ( -24.373 -0.091 -5.946) 25.088 7.073 ( -8.837 1.795 -18.877) 20.921 7.952 ( -5.552 4.406 -3.817) 8.051 10.416 ( -1.918 17.065 64.421) 66.671 12.978 ( 52.745 1.221 1.598) 52.784 13.308 ( 9.243 -8.138 -15.820) 20.049 16.552 ( -2.782 19.822 -30.401) 36.399 17.966 ( 13.216 2.969 -3.938) 14.106 18.219 ( -4.284 5.123 -3.688) 7.629 20.351 ( -11.644 -5.049 11.384) 17.049 20.804 ( -16.481 -2.977 12.267) 20.760 21.704 ( -17.639 -10.338 9.512) 22.550 21.837 ( -20.961 -9.986 14.395) 27.318 22.955 ( 2.548 5.590 12.970) 14.351 24.244 ( -1.396 -3.766 9.539) 10.350 24.479 ( 13.325 -3.352 -0.062) 13.741 25.304 ( 22.183 -6.919 1.144) 23.265 26.793 ( -19.129 -4.271 -8.334) 21.298 27.619 ( 6.632 19.148 -12.761) 23.947 30.674 ( 13.400 -2.797 -0.083) 13.689 31.550 ( 6.485 -3.672 -15.820) 17.488 32.778 ( 6.394 -1.796 30.549) 31.262 33.647 ( 5.540 -0.064 24.594) 25.210 35.906 ( 4.618 2.311 -13.364) 14.327 36.714 ( -6.403 6.777 -19.495) 21.610 40.698 ( 6.350 -4.469 30.418) 31.394 42.982 ( 2.377 1.922 -12.588) 12.954 ======================= Grid point 373 (115/245) ======================= q-point: (-0.23 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -7.822 9.030 12.758) 17.478 1.494 ( -7.605 20.365 9.714) 23.811 2.219 ( -1.927 -1.777 1.779) 3.168 2.388 ( -4.125 -2.900 2.309) 5.546 2.613 ( -3.636 0.850 5.487) 6.637 2.737 ( -11.883 4.753 11.936) 17.500 4.914 ( -16.062 2.526 12.612) 20.578 5.245 ( -9.988 1.323 22.356) 24.522 5.427 ( -0.382 2.724 38.445) 38.544 5.738 ( -23.083 -0.378 -4.871) 23.594 6.920 ( -6.076 2.234 -19.894) 20.921 7.855 ( -2.323 4.141 -6.197) 7.807 10.303 ( -0.186 15.606 64.553) 66.413 13.313 ( -16.111 -10.448 -17.465) 25.957 13.901 ( 44.854 0.850 -5.963) 45.257 16.397 ( -1.692 21.668 -32.651) 39.224 18.106 ( 3.093 2.640 -3.355) 5.272 18.339 ( 22.553 4.482 -3.282) 23.227 20.230 ( -2.754 -1.856 13.200) 13.612 20.568 ( -11.268 -6.528 16.310) 20.871 21.409 ( -19.817 -9.055 6.595) 22.764 21.501 ( -20.853 -8.645 11.019) 25.120 22.918 ( -3.149 4.778 27.297) 27.891 24.204 ( -3.600 -1.405 8.236) 9.098 24.718 ( 9.958 -0.667 -2.635) 10.322 25.725 ( 14.208 -18.306 5.079) 23.723 26.437 ( -21.186 -5.268 -10.810) 24.360 27.640 ( 8.616 24.864 -16.148) 30.874 30.914 ( 10.568 -1.574 2.160) 10.901 31.638 ( 1.397 -0.815 -11.548) 11.660 32.942 ( 7.711 -8.507 30.646) 32.726 33.745 ( 5.236 1.855 22.840) 23.506 35.973 ( 4.550 4.638 -14.192) 15.608 36.552 ( -6.368 7.064 -17.280) 19.724 40.882 ( 9.767 -8.066 30.006) 32.571 43.011 ( 2.160 2.983 -12.780) 13.300 ======================= Grid point 374 (116/245) ======================= q-point: (-0.15 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -4.646 17.683 16.051) 24.329 1.305 ( 5.021 11.764 24.531) 27.666 2.125 ( -11.162 0.548 19.126) 22.152 2.295 ( -6.184 -0.384 4.580) 7.705 2.448 ( -5.144 2.709 4.031) 7.075 2.671 ( 1.143 -0.555 11.015) 11.088 4.645 ( -10.315 1.859 6.029) 12.092 5.109 ( -4.541 -0.934 18.454) 19.028 5.378 ( -14.648 -0.443 -5.025) 15.492 5.536 ( 12.286 0.681 42.242) 43.997 6.825 ( -2.569 2.732 -20.922) 21.256 7.809 ( -0.463 3.725 -7.900) 8.747 10.235 ( 1.424 12.121 64.316) 65.464 12.830 ( -36.607 -4.884 -0.449) 36.934 14.572 ( 25.968 0.740 -10.355) 27.967 16.237 ( -2.008 20.489 -33.188) 39.055 18.170 ( 2.906 -3.119 -1.964) 4.694 18.878 ( 34.720 3.753 -10.146) 36.367 20.297 ( 8.403 -2.905 16.845) 19.047 20.474 ( -1.808 -6.619 18.230) 19.479 21.066 ( -21.877 -6.042 1.176) 22.727 21.152 ( -20.292 -4.144 3.970) 21.088 22.812 ( -4.548 3.373 37.621) 38.044 24.142 ( -2.890 0.595 7.319) 7.891 24.858 ( 5.664 0.930 -3.518) 6.732 25.885 ( -20.342 -36.408 17.380) 45.182 26.221 ( 4.880 2.767 -15.986) 16.942 27.627 ( 6.478 32.357 -18.943) 38.049 31.074 ( 5.677 -0.742 3.559) 6.741 31.624 ( -1.938 1.473 -6.097) 6.565 33.139 ( 5.462 -15.194 29.774) 33.870 33.810 ( 3.416 4.573 21.020) 21.781 36.011 ( 2.959 7.972 -14.964) 17.212 36.417 ( -3.758 5.169 -14.890) 16.203 41.152 ( 11.634 -13.858 24.881) 30.764 43.026 ( 1.541 4.287 -13.184) 13.949 ======================= Grid point 375 (117/245) ======================= q-point: (-0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.000 19.451 19.216) 27.342 1.400 ( 0.000 3.571 27.642) 27.872 1.912 ( 0.000 3.930 36.500) 36.711 2.245 ( -0.000 -1.337 2.484) 2.821 2.408 ( 0.000 1.391 -2.401) 2.775 2.692 ( -0.000 -1.090 12.791) 12.837 4.537 ( 0.000 1.228 4.332) 4.503 5.077 ( -0.000 -1.658 12.587) 12.696 5.237 ( -0.000 -0.372 -5.733) 5.745 5.720 ( -0.000 -2.706 35.828) 35.930 6.788 ( 0.000 2.427 -21.677) 21.813 7.787 ( 0.000 3.151 -8.572) 9.133 10.202 ( 0.000 7.728 62.886) 63.359 12.373 ( 0.000 1.916 24.574) 24.649 14.816 ( 0.000 0.641 -11.410) 11.428 16.113 ( 0.000 15.570 -31.853) 35.455 18.221 ( -0.000 -4.008 -2.661) 4.811 19.295 ( -0.000 -0.130 -18.735) 18.736 20.473 ( -0.000 -6.618 26.496) 27.309 20.591 ( -0.000 -3.302 21.010) 21.268 20.745 ( -0.000 -2.114 -4.804) 5.248 20.891 ( 0.000 0.355 -7.775) 7.783 22.748 ( 0.000 2.118 41.579) 41.633 24.106 ( 0.000 0.996 7.383) 7.450 24.919 ( 0.000 0.496 -4.947) 4.972 25.767 ( -0.000 -23.991 12.625) 27.110 26.343 ( -0.000 -11.883 -5.814) 13.229 27.491 ( 0.000 35.702 -16.248) 39.225 31.131 ( -0.000 -0.444 3.938) 3.963 31.588 ( 0.000 1.739 -2.942) 3.418 33.291 ( -0.000 -17.595 27.874) 32.963 33.809 ( 0.000 7.348 19.425) 20.768 35.987 ( 0.000 8.940 -13.287) 16.015 36.362 ( 0.000 2.440 -14.095) 14.305 41.378 ( -0.000 -15.394 16.051) 22.240 43.014 ( 0.000 4.645 -12.681) 13.505 ======================= Grid point 378 (118/245) ======================= q-point: ( 0.15 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 10.595 -0.000 3.163) 11.057 1.815 ( 18.238 -0.000 -7.846) 19.854 2.210 ( -1.092 0.000 -2.608) 2.827 2.492 ( -1.351 0.000 -2.133) 2.524 2.769 ( 7.066 -0.000 -4.680) 8.475 3.184 ( 10.197 -0.000 -1.938) 10.380 5.484 ( 16.783 -0.000 39.600) 43.010 5.621 ( 10.292 -0.000 7.678) 12.840 5.870 ( 17.477 -0.000 22.370) 28.387 6.606 ( 20.007 -0.000 -8.070) 21.573 7.221 ( 9.705 -0.000 -18.764) 21.125 8.023 ( 10.037 -0.000 -0.543) 10.052 10.240 ( 7.228 -0.000 61.496) 61.919 11.979 ( -49.957 0.000 9.627) 50.876 13.068 ( -24.557 0.000 -12.230) 27.434 16.386 ( 11.486 -0.000 -30.263) 32.369 17.763 ( -8.115 0.000 -3.579) 8.869 18.250 ( 7.916 -0.000 -5.241) 9.494 20.740 ( 18.920 -0.000 13.121) 23.024 21.133 ( 15.747 -0.000 4.649) 16.419 22.175 ( 10.985 -0.000 5.199) 12.153 22.309 ( 16.666 -0.000 16.543) 23.482 22.769 ( -6.070 0.000 2.128) 6.432 24.259 ( -14.412 0.000 8.416) 16.689 24.371 ( 1.044 -0.000 12.674) 12.716 24.867 ( -30.939 0.000 -5.911) 31.499 27.106 ( 1.984 -0.000 -4.363) 4.792 27.310 ( 11.170 -0.000 -12.289) 16.606 30.460 ( -13.613 0.000 -1.851) 13.738 31.492 ( -8.217 0.000 -21.408) 22.931 32.676 ( -7.007 0.000 29.422) 30.245 33.548 ( -3.902 0.000 22.475) 22.811 35.801 ( -2.607 0.000 -10.953) 11.259 36.746 ( 6.999 -0.000 -20.215) 21.393 40.638 ( -5.897 0.000 30.242) 30.812 42.922 ( -1.456 0.000 -11.717) 11.807 ======================= Grid point 379 (119/245) ======================= q-point: ( 0.23 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 7.893 -1.304 -0.099) 8.001 2.124 ( 13.956 -0.694 -12.017) 18.430 2.194 ( -0.343 0.451 -1.312) 1.429 2.459 ( -2.019 -0.069 -5.785) 6.128 2.895 ( 5.836 -0.823 -5.319) 7.939 3.332 ( 5.741 0.315 -8.740) 10.462 5.783 ( 13.784 -0.296 40.457) 42.742 5.792 ( 7.992 -0.474 11.165) 13.739 6.153 ( 12.138 -0.260 13.720) 18.320 6.927 ( 14.139 -0.207 -9.082) 16.806 7.385 ( 7.340 -0.284 -18.271) 19.692 8.236 ( 11.781 -0.796 -0.305) 11.812 10.425 ( 11.432 -2.797 62.096) 63.201 11.155 ( -37.102 -0.323 19.312) 41.829 12.615 ( -22.201 0.775 -6.019) 23.015 16.634 ( 13.755 -2.500 -30.729) 33.760 17.626 ( -6.429 0.267 -1.567) 6.623 18.385 ( 5.594 -1.103 -1.330) 5.855 21.080 ( 17.012 1.574 10.055) 19.824 21.407 ( 11.796 0.308 -1.510) 11.896 22.271 ( 0.825 2.476 2.136) 3.372 22.532 ( 1.490 -0.864 15.508) 15.603 22.752 ( 10.810 -0.326 -4.051) 11.549 24.013 ( -13.145 0.639 19.416) 23.456 24.282 ( -18.204 7.928 -2.015) 19.958 24.376 ( -10.626 -6.538 4.470) 13.253 27.166 ( 3.138 -3.414 -4.223) 6.272 27.499 ( 9.386 0.959 -11.818) 15.122 30.221 ( -11.542 0.152 -3.952) 12.200 31.324 ( -8.632 1.430 -22.549) 24.187 32.594 ( -2.208 -0.223 28.415) 28.502 33.480 ( -3.285 0.001 24.498) 24.717 35.758 ( -1.981 -0.263 -11.335) 11.510 36.865 ( 5.459 -0.744 -21.537) 22.230 40.549 ( -3.679 0.326 29.645) 29.875 42.897 ( -1.100 -0.144 -12.059) 12.110 ======================= Grid point 380 (120/245) ======================= q-point: ( 0.31 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 5.217 -1.314 -2.639) 5.993 2.174 ( -0.754 1.502 -1.370) 2.168 2.343 ( 8.605 0.304 -11.976) 14.750 2.418 ( -2.729 -0.927 -7.196) 7.752 2.986 ( 2.964 -1.435 -5.304) 6.243 3.395 ( 1.397 0.797 -13.119) 13.217 5.888 ( 2.593 -0.320 8.386) 8.784 5.990 ( 6.540 -0.285 46.441) 46.901 6.312 ( 4.677 -0.127 7.354) 8.717 7.121 ( 5.944 -0.231 -9.231) 10.982 7.486 ( 3.163 -0.199 -18.442) 18.712 8.430 ( 7.305 -0.639 -3.486) 8.119 10.654 ( -6.912 -0.196 37.263) 37.899 10.677 ( 4.571 -2.843 55.848) 56.107 12.284 ( -11.345 1.184 -5.353) 12.600 16.898 ( 12.461 -1.337 -31.927) 34.298 17.526 ( -3.848 0.155 1.181) 4.028 18.463 ( 1.953 -1.616 2.491) 3.554 21.327 ( 9.884 1.693 5.435) 11.406 21.467 ( -6.817 0.567 -3.915) 7.882 22.277 ( 3.370 0.569 1.578) 3.764 22.469 ( -4.900 -0.725 0.020) 4.954 23.108 ( 23.874 0.599 9.851) 25.833 23.584 ( -29.442 -0.108 12.021) 31.802 24.080 ( 0.068 6.387 5.619) 8.508 24.277 ( -5.606 -4.669 5.542) 9.162 27.244 ( 2.058 -5.626 -4.092) 7.255 27.648 ( 7.986 4.030 -12.186) 15.117 30.049 ( -6.508 -0.750 -5.306) 8.430 31.179 ( -5.309 1.757 -22.035) 22.733 32.584 ( 0.739 -0.211 26.782) 26.793 33.431 ( -1.824 -0.052 26.492) 26.554 35.734 ( -0.689 -0.279 -11.694) 11.718 36.953 ( 3.478 -0.425 -22.365) 22.638 40.496 ( -1.778 0.193 29.350) 29.404 42.885 ( -0.223 -0.085 -12.328) 12.330 ======================= Grid point 381 (121/245) ======================= q-point: (-0.62 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 1.935 -0.961 -4.596) 5.079 2.146 ( -0.329 3.393 -0.210) 3.416 2.362 ( -3.762 -0.475 -5.959) 7.063 2.446 ( 2.826 0.740 -11.251) 11.624 3.013 ( -0.989 -1.260 -4.745) 5.008 3.380 ( -2.265 0.805 -14.650) 14.846 5.888 ( -2.738 -0.455 8.310) 8.761 6.011 ( -4.230 0.349 43.136) 43.345 6.327 ( -3.018 0.341 9.173) 9.663 7.134 ( -4.680 0.144 -9.033) 10.175 7.501 ( -1.555 0.251 -18.633) 18.699 8.472 ( -3.110 0.531 -4.942) 5.863 10.673 ( 15.625 0.238 28.727) 32.702 10.844 ( 5.102 1.664 69.014) 69.223 12.232 ( 6.883 0.023 -7.613) 10.263 17.070 ( 5.634 4.236 -33.370) 34.107 17.503 ( 1.931 -0.642 3.415) 3.975 18.482 ( -0.781 -1.890 3.561) 4.107 21.184 ( -20.640 -3.233 -3.320) 21.154 21.431 ( 0.966 0.513 3.821) 3.975 22.314 ( -3.363 2.995 4.403) 6.298 22.442 ( 2.564 -3.096 4.098) 5.741 23.058 ( -23.914 -0.413 0.975) 23.937 23.587 ( 24.787 -0.674 17.246) 30.204 24.033 ( -0.492 6.034 2.879) 6.703 24.284 ( 3.228 -4.781 5.610) 8.047 27.287 ( -1.521 -5.689 -3.838) 7.029 27.745 ( 6.118 8.339 -12.772) 16.434 30.005 ( 1.004 -2.712 -5.554) 6.261 31.122 ( 0.138 0.563 -20.728) 20.736 32.613 ( 2.329 0.704 25.825) 25.939 33.418 ( 0.323 -0.536 27.988) 27.995 35.738 ( 1.036 -0.232 -12.086) 12.133 36.996 ( 1.185 0.863 -22.674) 22.721 40.480 ( 0.030 -0.277 29.317) 29.318 42.892 ( 0.945 0.105 -12.529) 12.565 ======================= Grid point 382 (122/245) ======================= q-point: (-0.54 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -2.916 3.127 -4.129) 5.944 2.146 ( 0.808 1.525 0.399) 1.771 2.277 ( -4.413 2.926 -4.772) 7.128 2.449 ( -2.021 -0.408 -7.804) 8.071 2.962 ( -4.773 -0.054 -3.985) 6.218 3.310 ( -4.688 0.412 -12.554) 13.407 5.796 ( -7.290 -0.329 8.954) 11.551 5.847 ( -12.022 0.857 34.439) 36.487 6.196 ( -10.544 1.040 17.735) 20.659 6.953 ( -14.088 0.516 -8.484) 16.453 7.425 ( -6.222 0.839 -18.423) 19.463 8.340 ( -8.932 2.033 -2.948) 9.624 10.838 ( -0.781 9.000 67.100) 67.706 11.196 ( 38.209 0.706 21.641) 43.918 12.507 ( 19.867 -2.167 -7.365) 21.299 17.056 ( -1.485 10.815 -30.966) 32.834 17.603 ( 7.853 0.195 0.820) 7.898 18.459 ( -2.619 -1.122 1.757) 3.347 20.807 ( -21.928 -8.037 1.248) 23.388 21.358 ( -8.519 0.984 4.165) 9.533 22.145 ( -12.963 0.500 11.019) 17.020 22.372 ( -16.007 -7.759 17.588) 25.015 22.850 ( 3.042 2.328 -12.224) 12.810 23.869 ( 5.639 -2.241 8.576) 10.506 24.178 ( 15.443 3.964 10.035) 18.839 24.428 ( 12.280 -4.004 2.360) 13.130 27.235 ( -7.401 -4.357 -4.140) 9.534 27.785 ( 4.780 12.436 -13.102) 18.685 30.117 ( 8.547 -4.450 -4.527) 10.646 31.180 ( 5.569 -1.522 -18.779) 19.646 32.658 ( 3.197 2.072 26.046) 26.323 33.451 ( 2.676 -1.297 28.615) 28.769 35.775 ( 2.820 -0.049 -12.582) 12.895 36.985 ( -1.294 2.817 -22.422) 22.635 40.500 ( 1.690 -1.074 29.457) 29.525 42.918 ( 2.020 0.451 -12.718) 12.885 ======================= Grid point 383 (123/245) ======================= q-point: (-0.46 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -6.954 5.713 -1.933) 9.206 2.074 ( -5.328 8.877 -0.359) 10.359 2.223 ( 0.251 1.137 -1.302) 1.746 2.397 ( -4.099 -3.401 -3.201) 6.214 2.849 ( -6.521 1.352 -2.923) 7.273 3.201 ( -6.731 1.051 -6.425) 9.365 5.569 ( -15.295 1.671 28.815) 32.665 5.648 ( -9.376 -0.134 8.343) 12.551 5.934 ( -16.158 1.795 26.905) 31.436 6.620 ( -20.900 0.420 -7.296) 22.141 7.271 ( -9.093 1.268 -18.122) 20.315 8.155 ( -8.508 3.379 -2.573) 9.509 10.742 ( -1.532 14.915 65.940) 67.623 12.028 ( 50.068 1.251 11.628) 51.416 12.913 ( 19.620 -4.469 -9.010) 22.048 16.928 ( -3.191 16.087 -29.604) 33.844 17.775 ( 11.321 2.178 -1.635) 11.644 18.392 ( -4.483 1.839 -1.465) 5.062 20.487 ( -17.398 -9.629 6.419) 20.895 21.112 ( -16.283 1.307 7.946) 18.165 21.867 ( -17.593 -6.977 14.187) 23.652 22.060 ( -21.082 -8.894 14.812) 27.257 22.952 ( 7.039 4.259 -2.435) 8.580 24.044 ( 11.611 -4.224 -2.685) 12.644 24.300 ( 1.654 -1.457 15.471) 15.628 24.820 ( 23.296 -1.743 2.139) 23.459 27.057 ( -13.824 -2.701 -5.426) 15.094 27.796 ( 5.250 14.918 -13.451) 20.761 30.353 ( 13.202 -4.751 -2.438) 14.241 31.331 ( 8.617 -3.236 -16.479) 18.875 32.709 ( 3.864 2.776 27.521) 27.929 33.529 ( 4.591 -1.850 28.313) 28.742 35.842 ( 4.301 0.428 -13.233) 13.921 36.916 ( -3.646 5.042 -21.630) 22.507 40.555 ( 3.184 -2.300 29.735) 29.993 42.959 ( 2.696 1.017 -12.963) 13.280 ======================= Grid point 384 (124/245) ======================= q-point: (-0.38 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -11.878 9.256 1.910) 15.179 1.916 ( -4.253 15.062 3.388) 16.013 2.223 ( -0.510 -0.151 -0.023) 0.532 2.354 ( -3.325 -6.441 1.309) 7.367 2.723 ( -5.258 2.472 -0.701) 5.852 3.037 ( -9.834 3.442 2.562) 10.729 5.264 ( -16.036 2.421 22.091) 27.406 5.472 ( -9.346 0.766 8.159) 12.430 5.612 ( -15.317 2.044 38.232) 41.236 6.188 ( -24.655 -0.053 -5.698) 25.305 7.093 ( -8.649 1.600 -18.108) 20.131 8.002 ( -5.464 4.192 -4.253) 8.094 10.624 ( -0.812 18.541 65.855) 68.420 12.992 ( 52.342 1.168 2.200) 52.401 13.216 ( 7.264 -7.788 -11.919) 15.983 16.779 ( -1.506 19.337 -29.750) 35.514 18.008 ( 15.956 4.579 -4.308) 17.150 18.280 ( -4.537 5.131 -2.920) 7.445 20.277 ( -10.471 -7.986 10.824) 17.046 20.780 ( -17.928 -0.757 12.303) 21.756 21.584 ( -18.347 -10.702 11.026) 23.932 21.710 ( -22.127 -11.496 15.479) 29.349 23.021 ( 2.721 5.711 10.868) 12.575 24.206 ( 0.273 -2.687 8.766) 9.172 24.432 ( 13.115 -4.869 -2.121) 14.149 25.230 ( 17.632 -5.738 5.158) 19.246 26.762 ( -18.426 -1.407 -7.482) 19.937 27.825 ( 7.736 16.650 -15.039) 23.733 30.636 ( 13.939 -3.743 0.057) 14.433 31.509 ( 7.641 -3.267 -13.968) 16.253 32.775 ( 4.670 1.274 29.723) 30.115 33.636 ( 5.558 -1.830 27.370) 27.989 35.927 ( 5.229 1.333 -14.127) 15.122 36.796 ( -5.323 7.190 -20.392) 22.268 40.647 ( 4.748 -4.333 30.124) 30.802 43.004 ( 2.924 1.829 -13.356) 13.794 ======================= Grid point 385 (125/245) ======================= q-point: (-0.31 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -7.065 11.351 11.470) 17.616 1.729 ( -5.006 20.006 7.511) 21.948 2.201 ( -2.380 -1.266 2.277) 3.529 2.336 ( -2.839 -5.997 3.332) 7.425 2.636 ( -3.011 2.853 3.988) 5.754 2.798 ( -11.844 5.890 11.758) 17.699 4.945 ( -16.143 2.815 11.170) 19.832 5.267 ( -10.411 2.374 24.930) 27.121 5.445 ( -1.361 0.314 35.205) 35.233 5.734 ( -23.246 -0.458 -4.617) 23.704 6.947 ( -5.559 2.300 -18.470) 19.425 7.905 ( -2.417 4.330 -6.360) 8.065 10.507 ( 0.069 19.493 66.012) 68.830 13.196 ( -15.379 -9.652 -9.989) 20.723 13.912 ( 44.735 0.949 -5.529) 45.086 16.647 ( -0.890 21.159 -32.285) 38.611 18.156 ( 0.123 6.129 -3.441) 7.031 18.392 ( 24.322 4.746 -5.303) 25.342 20.188 ( -3.260 -6.052 14.298) 15.864 20.500 ( -12.602 -4.439 15.491) 20.457 21.295 ( -19.224 -10.500 7.350) 23.105 21.384 ( -19.830 -11.552 12.138) 25.962 22.979 ( -3.475 5.670 25.583) 26.433 24.188 ( -2.153 -1.251 8.034) 8.411 24.703 ( 11.734 -2.081 -5.083) 12.956 25.509 ( 3.460 -17.870 13.112) 22.433 26.428 ( -15.059 2.290 -11.938) 19.353 27.894 ( 10.316 19.460 -18.937) 29.047 30.892 ( 11.175 -2.220 2.272) 11.618 31.627 ( 3.231 -1.033 -10.520) 11.053 32.872 ( 5.073 -3.382 31.564) 32.147 33.748 ( 5.274 -1.222 26.106) 26.661 36.016 ( 5.401 2.710 -15.511) 16.647 36.645 ( -5.561 8.912 -18.785) 21.523 40.787 ( 6.637 -8.089 30.174) 31.937 43.045 ( 2.850 2.844 -14.063) 14.628 ======================= Grid point 386 (126/245) ======================= q-point: (-0.23 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 3.609 11.273 20.442) 23.622 1.519 ( -3.430 21.966 13.552) 26.037 2.138 ( -5.221 1.648 12.311) 13.473 2.285 ( -6.252 -1.371 6.687) 9.256 2.485 ( -7.275 3.839 8.246) 11.647 2.673 ( 0.032 1.275 11.165) 11.238 4.671 ( -10.418 2.617 5.507) 12.071 5.111 ( -5.041 1.162 26.452) 26.953 5.371 ( -14.768 -0.675 -4.748) 15.527 5.526 ( 8.281 -2.613 35.240) 36.294 6.862 ( -1.843 3.503 -19.068) 19.474 7.856 ( -0.429 4.201 -7.923) 8.978 10.409 ( 1.022 17.960 65.808) 68.223 12.777 ( -30.192 -4.012 5.826) 31.010 14.582 ( 26.144 1.028 -10.462) 28.178 16.492 ( -2.019 22.685 -34.526) 41.361 18.150 ( 1.124 0.275 -1.012) 1.537 18.918 ( 31.309 2.872 -13.069) 34.049 20.231 ( 2.841 -9.450 20.904) 23.117 20.402 ( 0.513 -5.040 16.033) 16.814 20.983 ( -20.189 -8.167 2.065) 21.876 21.093 ( -16.781 -5.940 3.371) 18.118 22.859 ( -4.986 4.631 36.406) 37.036 24.150 ( -1.802 0.929 6.836) 7.130 24.870 ( 6.014 0.998 -4.718) 7.708 25.497 ( -17.767 -29.974 28.364) 44.930 26.274 ( 1.146 5.798 -17.151) 18.141 27.955 ( 8.375 24.534 -24.220) 35.478 31.064 ( 5.997 -1.020 3.793) 7.169 31.643 ( -0.644 1.887 -5.948) 6.274 32.993 ( 3.528 -9.585 32.591) 34.154 33.836 ( 3.419 -0.044 24.613) 24.849 36.087 ( 4.027 4.726 -17.587) 18.651 36.502 ( -3.709 9.437 -16.784) 19.609 40.985 ( 7.202 -14.475 28.121) 32.438 43.074 ( 2.220 3.958 -15.224) 15.886 ======================= Grid point 387 (127/245) ======================= q-point: (-0.15 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.000 24.025 14.538) 28.081 1.458 ( 0.000 6.458 25.204) 26.018 1.989 ( 0.000 9.943 32.567) 34.051 2.222 ( -0.000 -2.662 3.159) 4.131 2.425 ( 0.000 1.257 -0.085) 1.260 2.680 ( -0.000 -0.637 12.932) 12.948 4.557 ( 0.000 2.206 4.045) 4.608 5.064 ( -0.000 -0.298 22.204) 22.206 5.231 ( -0.000 -0.697 -5.604) 5.647 5.670 ( -0.000 -5.985 32.199) 32.750 6.827 ( 0.000 4.040 -19.964) 20.368 7.831 ( 0.000 4.199 -8.666) 9.630 10.332 ( 0.000 14.767 64.741) 66.403 12.404 ( 0.000 3.412 24.023) 24.264 14.826 ( 0.000 1.134 -11.741) 11.796 16.339 ( 0.000 22.529 -34.503) 41.207 18.174 ( -0.000 -3.347 -1.167) 3.545 19.286 ( -0.000 -1.792 -19.387) 19.469 20.360 ( -0.000 -12.998 27.757) 30.650 20.541 ( -0.000 -5.428 19.835) 20.564 20.711 ( -0.000 -3.697 -3.945) 5.406 20.897 ( 0.000 0.584 -7.533) 7.556 22.782 ( 0.000 3.687 40.695) 40.862 24.122 ( 0.000 1.749 6.946) 7.163 24.927 ( 0.000 0.875 -5.418) 5.488 25.432 ( -0.000 -30.204 33.935) 45.429 26.291 ( 0.000 0.890 -14.687) 14.714 27.881 ( 0.000 30.565 -25.501) 39.806 31.124 ( -0.000 -0.638 4.266) 4.314 31.615 ( 0.000 2.930 -3.177) 4.322 33.099 ( -0.000 -14.528 32.316) 35.432 33.864 ( 0.000 2.089 22.802) 22.898 36.092 ( 0.000 7.750 -18.476) 20.036 36.416 ( 0.000 7.484 -14.876) 16.653 41.169 ( -0.000 -19.435 23.661) 30.620 43.072 ( 0.000 4.904 -15.572) 16.326 ======================= Grid point 392 (128/245) ======================= q-point: ( 0.23 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 5.440 -0.000 -2.555) 6.010 2.183 ( -0.217 0.000 -1.426) 1.443 2.346 ( 8.870 -0.000 -12.058) 14.969 2.412 ( -2.944 0.000 -7.155) 7.737 2.977 ( 3.017 -0.000 -5.431) 6.213 3.400 ( 1.407 -0.000 -12.995) 13.071 5.886 ( 2.578 -0.000 8.354) 8.743 5.988 ( 6.763 -0.000 46.653) 47.141 6.312 ( 4.793 -0.000 7.273) 8.710 7.119 ( 6.038 -0.000 -9.278) 11.070 7.485 ( 3.280 -0.000 -18.423) 18.712 8.427 ( 7.616 -0.000 -3.343) 8.318 10.654 ( 12.977 -0.000 65.013) 66.295 10.659 ( -14.200 0.000 27.570) 31.012 12.291 ( -11.509 0.000 -5.014) 12.554 16.891 ( 13.738 -0.000 -31.876) 34.710 17.527 ( -4.023 0.000 0.953) 4.135 18.453 ( 1.994 -0.000 2.278) 3.028 21.338 ( 9.664 -0.000 6.708) 11.764 21.470 ( -7.741 0.000 -4.843) 9.131 22.281 ( 2.972 -0.000 1.588) 3.370 22.464 ( -4.456 0.000 -0.169) 4.459 23.111 ( 23.837 -0.000 10.352) 25.987 23.584 ( -29.748 0.000 11.735) 31.979 24.129 ( 1.421 -0.000 3.681) 3.946 24.238 ( -7.343 0.000 7.366) 10.401 27.212 ( 2.538 -0.000 -3.558) 4.370 27.672 ( 8.600 -0.000 -12.798) 15.419 30.044 ( -6.936 0.000 -5.089) 8.603 31.190 ( -5.663 0.000 -22.233) 22.943 32.583 ( 0.920 -0.000 26.826) 26.842 33.431 ( -1.902 0.000 26.400) 26.469 35.732 ( -0.652 0.000 -11.621) 11.639 36.951 ( 3.805 -0.000 -22.355) 22.677 40.498 ( -1.903 0.000 29.353) 29.414 42.885 ( -0.172 0.000 -12.313) 12.314 ======================= Grid point 393 (129/245) ======================= q-point: ( 0.31 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 2.494 -0.395 -4.410) 5.082 2.177 ( 0.004 1.617 0.092) 1.620 2.355 ( -3.234 -0.581 -5.740) 6.614 2.454 ( 2.835 0.451 -11.650) 11.999 3.001 ( -0.692 -0.634 -4.985) 5.073 3.388 ( -2.393 0.387 -14.700) 14.899 5.884 ( -2.763 -0.211 8.262) 8.715 6.014 ( -4.014 0.125 42.606) 42.795 6.330 ( -2.789 0.132 9.514) 9.916 7.135 ( -4.502 0.045 -9.076) 10.131 7.503 ( -1.342 0.089 -18.644) 18.693 8.476 ( -2.565 0.174 -5.059) 5.675 10.674 ( 15.933 0.077 28.728) 32.850 10.856 ( 7.545 0.469 69.049) 69.461 12.233 ( 6.042 0.110 -7.364) 9.526 17.105 ( 8.359 1.705 -33.772) 34.832 17.498 ( 1.730 -0.261 3.594) 3.997 18.464 ( -0.847 -0.950 3.442) 3.670 21.158 ( -22.769 -1.239 -3.049) 23.006 21.437 ( 1.078 0.312 3.906) 4.064 22.354 ( -1.406 3.841 6.186) 7.416 22.401 ( -0.577 -3.938 4.090) 5.707 23.055 ( -23.692 -0.052 -0.556) 23.699 23.581 ( 24.109 -0.307 17.508) 29.797 24.103 ( -1.544 5.253 -1.390) 5.649 24.225 ( 4.278 -4.655 9.513) 11.422 27.241 ( -0.563 -2.083 -2.825) 3.555 27.812 ( 7.180 3.088 -14.093) 16.116 29.981 ( 0.225 -1.177 -5.106) 5.244 31.128 ( -0.578 0.342 -20.794) 20.805 32.619 ( 2.817 0.275 25.643) 25.798 33.413 ( 0.058 -0.225 28.229) 28.230 35.736 ( 1.079 -0.112 -12.052) 12.101 37.003 ( 1.807 0.322 -22.738) 22.812 40.478 ( -0.205 -0.100 29.314) 29.315 42.893 ( 1.041 0.037 -12.555) 12.599 ======================= Grid point 394 (130/245) ======================= q-point: (-0.62 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -1.497 0.925 -4.638) 4.961 2.171 ( 0.771 2.343 1.264) 2.772 2.299 ( -2.835 0.863 -3.050) 4.253 2.448 ( -3.114 0.134 -9.102) 9.621 2.958 ( -4.230 -0.494 -3.996) 5.839 3.316 ( -4.681 0.519 -13.254) 14.066 5.792 ( -7.062 -0.335 8.213) 10.837 5.855 ( -12.079 0.417 33.712) 35.813 6.206 ( -10.265 0.600 18.496) 21.162 6.958 ( -14.037 0.284 -8.452) 16.388 7.432 ( -6.039 0.462 -18.427) 19.397 8.358 ( -8.432 1.077 -3.420) 9.163 10.919 ( 1.777 4.990 68.377) 68.582 11.202 ( 38.536 0.293 21.603) 44.179 12.488 ( 19.021 -1.125 -7.516) 20.483 17.157 ( 0.484 6.391 -30.303) 30.973 17.609 ( 9.413 0.668 -0.097) 9.438 18.441 ( -2.301 -1.699 2.027) 3.506 20.730 ( -23.415 -5.042 1.759) 24.016 21.374 ( -7.371 1.487 3.356) 8.235 22.160 ( -17.106 2.168 17.348) 24.459 22.288 ( -15.698 -6.675 13.601) 21.816 22.871 ( 3.719 1.298 -13.033) 13.615 23.851 ( 5.745 -0.932 8.200) 10.056 24.232 ( 11.448 5.287 10.336) 16.304 24.374 ( 14.623 -5.259 1.938) 15.661 27.195 ( -6.283 -2.574 -2.706) 7.309 27.900 ( 5.513 7.288 -15.181) 17.719 30.072 ( 8.091 -3.082 -3.858) 9.479 31.169 ( 4.862 -0.471 -18.417) 19.053 32.678 ( 3.785 1.316 25.285) 25.601 33.438 ( 2.286 -0.894 29.608) 29.709 35.774 ( 2.919 -0.109 -12.631) 12.965 37.011 ( -0.472 1.605 -22.632) 22.694 40.491 ( 1.306 -0.602 29.425) 29.460 42.922 ( 2.197 0.250 -12.848) 13.037 ======================= Grid point 395 (131/245) ======================= q-point: (-0.54 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -5.090 4.333 -1.693) 6.895 2.158 ( -1.050 5.462 1.482) 5.756 2.241 ( -1.679 1.987 -1.369) 2.940 2.359 ( -6.337 -3.096 -4.324) 8.273 2.859 ( -5.990 0.481 -2.517) 6.515 3.214 ( -5.817 1.110 -7.752) 9.755 5.585 ( -15.120 1.082 26.859) 30.841 5.643 ( -9.303 -0.592 8.422) 12.563 5.952 ( -15.918 1.230 27.641) 31.921 6.624 ( -21.092 0.317 -7.148) 22.273 7.283 ( -9.038 0.830 -17.921) 20.088 8.188 ( -8.162 2.212 -3.147) 9.023 10.891 ( 0.413 10.597 67.135) 67.967 12.040 ( 50.110 0.785 11.981) 51.528 12.869 ( 18.353 -3.147 -8.147) 20.325 17.088 ( -1.871 11.268 -28.369) 30.582 17.809 ( 13.181 3.555 -3.192) 14.020 18.399 ( -3.081 -0.601 -0.616) 3.199 20.381 ( -17.611 -8.369 7.371) 20.845 21.143 ( -15.389 3.834 6.272) 17.055 21.783 ( -22.199 -7.734 20.218) 31.007 21.978 ( -20.883 -5.058 12.219) 24.718 22.992 ( 7.783 2.700 -3.853) 9.095 24.010 ( 11.639 -1.893 -5.147) 12.866 24.284 ( -0.652 -1.260 16.238) 16.300 24.802 ( 23.210 -1.296 3.443) 23.499 27.030 ( -12.744 -1.925 -3.859) 13.454 27.945 ( 5.223 10.643 -15.983) 19.899 30.300 ( 13.463 -4.144 -1.678) 14.186 31.304 ( 8.448 -1.646 -15.440) 17.677 32.741 ( 4.123 2.588 26.023) 26.474 33.507 ( 4.191 -1.838 30.247) 30.591 35.844 ( 4.502 0.094 -13.367) 14.106 36.966 ( -2.731 3.553 -22.055) 22.506 40.533 ( 2.527 -1.585 29.608) 29.758 42.969 ( 2.990 0.694 -13.293) 13.643 ======================= Grid point 396 (132/245) ======================= q-point: (-0.46 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -9.363 9.543 2.372) 13.578 2.069 ( -2.526 11.385 2.549) 11.937 2.219 ( -1.301 -0.894 1.368) 2.089 2.278 ( -4.779 -6.485 0.452) 8.068 2.748 ( -4.723 1.805 -0.202) 5.061 3.077 ( -7.964 3.396 1.096) 8.727 5.288 ( -15.781 1.680 20.271) 25.745 5.474 ( -8.894 -0.266 7.772) 11.814 5.633 ( -15.905 1.553 38.909) 42.063 6.188 ( -24.929 -0.003 -5.478) 25.524 7.108 ( -8.554 1.112 -17.434) 19.451 8.044 ( -5.435 3.138 -4.700) 7.841 10.822 ( 0.321 15.574 67.031) 68.817 13.003 ( 51.829 0.883 2.683) 51.906 13.136 ( 6.209 -6.017 -8.721) 12.281 16.977 ( -1.577 14.836 -28.413) 32.092 18.070 ( 18.154 6.016 -5.837) 19.996 18.329 ( -3.412 3.288 -2.232) 5.238 20.174 ( -10.410 -9.660 12.518) 18.931 20.795 ( -18.240 3.518 10.798) 21.486 21.453 ( -19.559 -12.485 14.170) 27.188 21.595 ( -23.185 -7.977 14.854) 28.667 23.080 ( 3.074 4.567 9.039) 10.584 24.187 ( 1.082 -0.605 8.443) 8.533 24.371 ( 12.781 -5.621 -4.053) 14.539 25.176 ( 14.442 -3.597 8.049) 16.920 26.755 ( -16.539 -0.095 -6.454) 17.754 27.992 ( 7.322 12.398 -17.372) 22.563 30.592 ( 14.712 -3.749 0.723) 15.199 31.479 ( 8.457 -2.035 -12.381) 15.131 32.801 ( 4.100 2.954 27.845) 28.300 33.609 ( 5.148 -2.715 30.107) 30.664 35.937 ( 5.485 0.538 -14.295) 15.321 36.872 ( -4.388 5.819 -21.148) 22.369 40.603 ( 3.519 -3.321 29.841) 30.231 43.022 ( 3.312 1.381 -13.994) 14.446 ======================= Grid point 397 (133/245) ======================= q-point: (-0.38 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -6.202 12.419 10.122) 17.179 1.932 ( -4.285 14.855 6.182) 16.651 2.187 ( -2.768 -1.630 3.146) 4.497 2.259 ( -1.704 -6.883 3.213) 7.785 2.672 ( -2.245 3.147 3.500) 5.214 2.871 ( -10.589 6.817 11.056) 16.758 4.976 ( -16.006 2.520 10.143) 19.116 5.294 ( -9.990 2.065 22.854) 25.028 5.437 ( -3.518 -1.493 36.600) 36.799 5.728 ( -23.444 -0.425 -4.325) 23.844 6.970 ( -5.086 1.755 -17.113) 17.939 7.950 ( -2.648 3.526 -6.626) 7.959 10.730 ( 0.412 18.787 67.306) 69.880 13.099 ( -13.870 -7.212 -4.296) 16.213 13.922 ( 44.664 0.807 -5.078) 44.959 16.863 ( -1.395 16.320 -30.155) 34.317 18.238 ( -1.406 7.699 -3.057) 8.402 18.448 ( 25.273 5.301 -8.464) 27.175 20.086 ( -5.812 -11.322 18.172) 22.185 20.481 ( -12.509 1.174 12.801) 17.936 21.176 ( -18.157 -10.373 7.636) 22.261 21.248 ( -18.871 -11.767 13.332) 25.929 23.042 ( -3.855 5.252 23.976) 24.845 24.176 ( -0.966 -0.745 8.019) 8.111 24.670 ( 13.606 -3.678 -7.642) 16.033 25.339 ( -2.826 -11.584 17.983) 21.577 26.468 ( -10.980 4.113 -11.834) 16.659 28.082 ( 10.089 13.608 -20.741) 26.780 30.865 ( 12.060 -2.416 2.772) 12.608 31.616 ( 4.963 -0.705 -9.209) 10.486 32.862 ( 3.740 1.205 30.200) 30.455 33.721 ( 4.779 -3.294 29.380) 29.948 36.037 ( 5.513 1.083 -15.540) 16.525 36.745 ( -4.680 8.091 -20.136) 22.199 40.704 ( 4.347 -6.411 30.004) 30.987 43.074 ( 3.202 2.166 -15.065) 15.553 ======================= Grid point 398 (134/245) ======================= q-point: (-0.31 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 3.689 11.926 18.701) 22.485 1.744 ( -5.890 16.652 10.564) 20.581 2.150 ( -1.256 -0.406 5.863) 6.010 2.263 ( -2.217 -2.408 6.018) 6.851 2.544 ( -9.286 7.089 13.941) 18.188 2.705 ( -1.251 4.173 11.087) 11.912 4.702 ( -10.473 2.810 4.961) 11.925 5.132 ( -5.299 2.485 29.757) 30.327 5.363 ( -14.880 -0.816 -4.226) 15.490 5.479 ( 4.472 -5.434 32.372) 33.128 6.900 ( -1.157 3.053 -17.140) 17.448 7.901 ( -0.671 3.528 -8.018) 8.786 10.629 ( 0.732 19.813 67.273) 70.133 12.742 ( -23.981 -2.120 10.220) 26.154 14.595 ( 26.376 1.071 -10.584) 28.440 16.730 ( -2.214 18.304 -32.910) 37.723 18.184 ( -0.211 5.605 -0.921) 5.684 18.942 ( 26.976 1.423 -15.550) 31.169 20.085 ( -1.980 -15.339 25.042) 29.433 20.364 ( 0.447 -2.005 14.188) 14.336 20.887 ( -18.216 -8.507 3.575) 20.420 21.023 ( -11.665 -6.132 1.975) 13.326 22.913 ( -5.514 4.758 35.146) 35.893 24.162 ( -0.620 1.071 6.317) 6.437 24.877 ( 7.065 0.015 -6.559) 9.640 25.215 ( -16.705 -19.402 33.842) 42.435 26.345 ( 0.137 6.420 -16.905) 18.084 28.184 ( 8.588 15.905 -26.001) 31.667 31.052 ( 6.561 -1.063 4.211) 7.868 31.665 ( 0.884 1.899 -5.638) 6.014 32.925 ( 2.468 -2.561 32.319) 32.514 33.815 ( 2.989 -3.338 28.245) 28.598 36.120 ( 3.906 1.542 -17.203) 17.708 36.617 ( -3.087 10.034 -19.186) 21.871 40.836 ( 4.135 -11.405 29.499) 31.897 43.113 ( 2.374 2.816 -16.497) 16.903 ======================= Grid point 399 (135/245) ======================= q-point: (-0.23 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.000 18.976 13.463) 23.266 1.543 ( 0.000 8.279 21.853) 23.369 2.136 ( 0.000 14.628 22.374) 26.732 2.185 ( -0.000 -3.944 4.283) 5.822 2.433 ( 0.000 0.560 6.875) 6.898 2.687 ( 0.000 2.051 11.831) 12.008 4.585 ( 0.000 2.725 3.634) 4.542 5.072 ( 0.000 1.764 28.851) 28.905 5.221 ( -0.000 -0.915 -5.413) 5.490 5.587 ( -0.000 -8.447 30.232) 31.390 6.874 ( 0.000 4.022 -17.872) 18.319 7.877 ( 0.000 3.686 -8.623) 9.377 10.528 ( 0.000 19.029 66.604) 69.269 12.448 ( 0.000 4.148 23.236) 23.604 14.841 ( 0.000 1.366 -12.208) 12.284 16.593 ( 0.000 20.793 -34.440) 40.230 18.162 ( 0.000 1.846 -0.449) 1.900 19.253 ( -0.000 -3.830 -19.423) 19.797 20.185 ( -0.000 -17.254 28.331) 33.172 20.470 ( -0.000 -6.730 19.174) 20.320 20.664 ( -0.000 -4.422 -2.739) 5.202 20.904 ( 0.000 0.668 -7.214) 7.245 22.829 ( 0.000 4.331 39.615) 39.851 24.145 ( 0.000 2.084 6.368) 6.700 24.938 ( 0.000 1.050 -6.082) 6.172 25.131 ( -0.000 -22.023 42.212) 47.611 26.329 ( 0.000 4.845 -17.118) 17.791 28.171 ( 0.000 20.177 -28.876) 35.227 31.117 ( -0.000 -0.570 4.695) 4.729 31.651 ( 0.000 3.331 -3.476) 4.815 32.977 ( -0.000 -6.756 33.470) 34.145 33.861 ( -0.000 -2.336 26.664) 26.766 36.149 ( 0.000 2.575 -18.637) 18.814 36.526 ( 0.000 10.868 -17.975) 21.005 40.963 ( -0.000 -16.115 28.028) 32.330 43.120 ( 0.000 3.449 -17.190) 17.533 ======================= Grid point 406 (136/245) ======================= q-point: (-0.69 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -0.852 0.000 -4.585) 4.663 2.187 ( 0.474 -0.000 1.546) 1.617 2.302 ( -2.119 0.000 -2.681) 3.417 2.449 ( -3.540 0.000 -9.499) 10.137 2.954 ( -4.008 0.000 -4.061) 5.706 3.320 ( -4.688 0.000 -13.475) 14.267 5.790 ( -6.996 0.000 8.024) 10.646 5.857 ( -12.104 0.000 33.393) 35.519 6.209 ( -10.170 0.000 18.761) 21.341 6.959 ( -14.015 0.000 -8.448) 16.364 7.435 ( -5.976 0.000 -18.426) 19.371 8.364 ( -8.258 0.000 -3.584) 9.002 10.948 ( 2.697 -0.000 68.962) 69.015 11.203 ( 38.700 -0.000 21.433) 44.238 12.482 ( 18.676 -0.000 -7.548) 20.144 17.194 ( 1.037 -0.000 -29.723) 29.741 17.614 ( 10.291 -0.000 -0.906) 10.331 18.430 ( -2.303 0.000 2.142) 3.145 20.700 ( -24.027 0.000 2.137) 24.122 21.384 ( -6.744 0.000 2.818) 7.309 22.183 ( -22.907 0.000 28.128) 36.275 22.239 ( -11.386 0.000 3.856) 12.021 22.878 ( 3.867 -0.000 -13.322) 13.872 23.846 ( 5.878 -0.000 8.101) 10.009 24.281 ( 1.851 -0.000 15.903) 16.010 24.325 ( 23.558 -0.000 -3.732) 23.852 27.180 ( -5.872 0.000 -2.188) 6.267 27.943 ( 5.767 -0.000 -15.994) 17.002 30.054 ( 7.935 -0.000 -3.523) 8.681 31.167 ( 4.604 -0.000 -18.326) 18.895 32.685 ( 4.027 -0.000 24.983) 25.305 33.433 ( 2.120 -0.000 29.988) 30.063 35.774 ( 2.953 -0.000 -12.635) 12.976 37.020 ( -0.181 0.000 -22.709) 22.709 40.487 ( 1.170 -0.000 29.414) 29.437 42.924 ( 2.259 -0.000 -12.895) 13.092 ======================= Grid point 408 (137/245) ======================= q-point: (-0.62 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -3.176 1.732 -1.174) 3.803 2.195 ( 0.799 1.391 2.537) 3.002 2.264 ( -2.209 1.471 -0.683) 2.741 2.331 ( -8.640 -1.462 -6.040) 10.642 2.861 ( -5.579 0.064 -2.386) 6.068 3.224 ( -5.317 0.488 -8.458) 10.002 5.594 ( -15.202 0.429 26.379) 30.449 5.637 ( -9.149 -0.367 8.032) 12.180 5.961 ( -15.808 0.434 27.952) 32.115 6.627 ( -21.190 0.119 -7.080) 22.342 7.290 ( -9.028 0.287 -17.807) 19.967 8.205 ( -7.982 0.763 -3.466) 8.735 10.975 ( 1.556 3.825 67.833) 67.959 12.046 ( 50.140 0.257 12.105) 51.581 12.844 ( 17.648 -1.131 -7.670) 19.276 17.176 ( -1.345 3.925 -26.801) 27.121 17.845 ( 14.706 2.106 -5.578) 15.869 18.387 ( -2.413 -0.895 0.021) 2.574 20.311 ( -17.992 -3.354 8.699) 20.264 21.185 ( -13.815 2.548 3.561) 14.492 21.708 ( -26.187 -4.158 25.425) 36.735 21.944 ( -20.375 -1.338 10.436) 22.931 23.013 ( 8.228 0.913 -4.651) 9.496 23.998 ( 11.796 -0.449 -6.801) 13.624 24.273 ( -2.371 -0.525 16.985) 17.158 24.792 ( 23.427 -0.474 4.086) 23.785 27.014 ( -12.001 -0.689 -2.944) 12.376 28.029 ( 5.007 3.875 -17.591) 18.696 30.266 ( 13.709 -1.665 -0.987) 13.845 31.292 ( 8.326 -0.467 -14.997) 17.160 32.763 ( 4.435 1.065 24.999) 25.412 33.491 ( 3.858 -0.783 31.461) 31.707 35.845 ( 4.591 -0.002 -13.377) 14.143 36.994 ( -2.239 1.274 -22.285) 22.434 40.520 ( 2.178 -0.563 29.540) 29.625 42.974 ( 3.145 0.245 -13.474) 13.838 ======================= Grid point 409 (138/245) ======================= q-point: (-0.54 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -6.215 8.314 3.187) 10.858 2.160 ( -5.690 0.613 -0.298) 5.731 2.187 ( -2.761 -0.486 3.954) 4.847 2.234 ( -2.419 -1.205 0.084) 2.703 2.763 ( -4.197 0.893 0.074) 4.292 3.110 ( -6.460 2.222 0.067) 6.832 5.302 ( -15.556 0.858 19.389) 24.873 5.469 ( -8.827 -0.527 7.737) 11.749 5.647 ( -16.270 0.836 38.987) 42.254 6.188 ( -25.132 0.016 -5.335) 25.692 7.118 ( -8.533 0.553 -16.992) 19.022 8.072 ( -5.439 1.649 -5.036) 7.594 10.964 ( 1.155 8.843 67.786) 68.370 13.012 ( 51.591 0.543 3.051) 51.684 13.082 ( 5.629 -3.352 -6.743) 9.402 17.108 ( -2.072 7.866 -26.886) 28.090 18.138 ( 19.305 5.414 -8.541) 21.793 18.351 ( -1.647 0.583 -1.454) 2.273 20.074 ( -10.981 -6.884 15.428) 20.149 20.854 ( -17.901 6.012 7.532) 20.330 21.311 ( -20.696 -11.323 18.499) 29.979 21.532 ( -24.025 -3.362 13.659) 27.840 23.121 ( 3.434 2.505 7.800) 8.883 24.192 ( 0.011 1.401 9.887) 9.986 24.309 ( 13.690 -4.867 -6.805) 16.044 25.147 ( 12.836 -1.621 9.602) 16.112 26.756 ( -14.897 0.196 -5.625) 15.925 28.102 ( 6.475 6.660 -19.195) 21.324 30.556 ( 15.443 -2.382 1.550) 15.703 31.462 ( 8.914 -0.860 -11.497) 14.573 32.834 ( 4.161 2.377 25.956) 26.395 33.580 ( 4.647 -2.052 32.292) 32.689 35.940 ( 5.576 0.145 -14.213) 15.269 36.924 ( -3.807 3.205 -21.604) 22.170 40.573 ( 2.781 -1.780 29.643) 29.827 43.035 ( 3.529 0.733 -14.405) 14.849 ======================= Grid point 410 (139/245) ======================= q-point: (-0.46 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -5.310 12.594 8.868) 16.293 2.055 ( -5.372 5.460 5.292) 9.310 2.135 ( -3.615 -6.661 6.146) 9.757 2.217 ( -0.215 -0.096 1.184) 1.207 2.703 ( -1.417 2.295 3.438) 4.370 2.947 ( -8.535 5.994 9.977) 14.433 5.001 ( -15.751 1.752 9.580) 18.519 5.312 ( -8.601 1.000 16.040) 18.227 5.417 ( -6.517 -1.677 43.012) 43.535 5.724 ( -23.639 -0.305 -4.085) 23.991 6.986 ( -4.769 1.021 -16.130) 16.852 7.983 ( -2.900 2.226 -6.909) 7.817 10.917 ( 0.722 13.460 68.204) 69.523 13.033 ( -12.290 -4.342 -0.673) 13.052 13.929 ( 44.654 0.513 -4.720) 44.905 17.014 ( -2.476 10.060 -27.930) 29.789 18.314 ( -0.613 5.054 -1.411) 5.283 18.515 ( 24.733 6.240 -13.101) 28.676 19.952 ( -8.348 -11.198 22.830) 26.764 20.517 ( -13.359 4.450 10.120) 17.340 21.058 ( -14.005 -10.060 8.553) 19.249 21.133 ( -20.416 -7.686 13.532) 25.671 23.094 ( -4.195 3.674 22.767) 23.440 24.171 ( -0.338 -0.239 8.229) 8.240 24.626 ( 14.868 -3.719 -9.229) 17.891 25.244 ( -5.390 -5.528 20.038) 21.474 26.512 ( -8.632 3.305 -11.367) 14.650 28.205 ( 9.008 7.982 -21.948) 25.032 30.840 ( 12.995 -1.891 3.483) 13.586 31.611 ( 6.189 -0.240 -8.266) 10.329 32.889 ( 3.347 2.925 27.822) 28.175 33.680 ( 4.154 -3.521 32.282) 32.738 36.044 ( 5.434 0.311 -15.138) 16.087 36.823 ( -4.131 5.416 -20.907) 21.989 40.644 ( 2.987 -3.999 29.724) 30.140 43.094 ( 3.326 1.317 -15.711) 16.113 ======================= Grid point 411 (140/245) ======================= q-point: (-0.38 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 2.631 12.316 15.894) 20.279 1.894 ( -6.968 9.773 9.900) 15.559 2.118 ( -1.833 -5.063 6.381) 8.349 2.232 ( 0.668 -3.015 3.496) 4.664 2.639 ( -5.089 8.187 12.306) 15.632 2.767 ( -3.569 6.839 13.283) 15.361 4.733 ( -10.481 2.387 4.513) 11.658 5.164 ( -5.095 2.909 28.447) 29.045 5.353 ( -14.602 -0.909 -2.471) 14.837 5.409 ( 0.899 -6.412 32.758) 33.392 6.930 ( -0.701 2.010 -15.629) 15.773 7.935 ( -1.009 2.402 -8.214) 8.617 10.842 ( 0.568 16.756 68.384) 70.409 12.726 ( -19.123 -0.727 12.664) 22.948 14.606 ( 26.617 0.873 -10.691) 28.697 16.902 ( -2.679 11.872 -30.121) 32.487 18.268 ( -0.193 8.351 -0.903) 8.402 18.956 ( 22.554 1.470 -18.059) 28.930 19.900 ( -4.486 -16.212 28.118) 32.765 20.348 ( -2.916 -0.914 13.701) 14.038 20.796 ( -16.576 -6.996 5.297) 18.755 20.959 ( -5.775 -4.905 0.299) 7.582 22.963 ( -6.013 3.824 34.119) 34.855 24.174 ( 0.381 0.939 5.888) 5.974 24.862 ( 7.859 -2.784 -5.187) 9.819 25.056 ( -15.301 -8.488 33.147) 37.482 26.414 ( -0.232 5.452 -16.497) 17.376 28.324 ( 7.852 8.998 -26.183) 28.778 31.040 ( 7.246 -0.865 4.714) 8.688 31.685 ( 2.198 1.581 -5.351) 5.997 32.925 ( 1.991 1.935 30.046) 30.174 33.767 ( 2.498 -4.634 31.522) 31.958 36.129 ( 3.613 0.301 -16.177) 16.578 36.719 ( -2.697 7.551 -20.453) 21.969 40.728 ( 2.432 -7.451 29.677) 30.695 43.139 ( 2.288 1.722 -17.178) 17.415 ======================= Grid point 412 (141/245) ======================= q-point: (-0.31 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 0.000 8.958 18.179) 20.266 1.712 ( 0.000 13.929 14.070) 19.799 2.133 ( -0.000 -5.088 5.871) 7.769 2.249 ( 0.000 1.756 5.718) 5.982 2.489 ( 0.000 11.671 19.638) 22.844 2.724 ( 0.000 4.172 10.756) 11.537 4.616 ( 0.000 2.645 3.185) 4.140 5.100 ( 0.000 2.970 30.894) 31.037 5.210 ( -0.000 -0.952 -5.196) 5.282 5.483 ( -0.000 -9.462 31.062) 32.471 6.914 ( 0.000 2.928 -16.033) 16.298 7.913 ( 0.000 2.641 -8.667) 9.061 10.748 ( 0.000 18.636 68.038) 70.544 12.495 ( 0.000 3.941 22.387) 22.731 14.856 ( 0.000 1.285 -12.702) 12.767 16.797 ( 0.000 14.717 -32.082) 35.296 18.219 ( 0.000 7.641 -0.506) 7.657 19.205 ( -0.000 -4.072 -19.119) 19.548 19.976 ( -0.000 -18.909 28.435) 34.148 20.393 ( -0.000 -6.579 18.879) 19.992 20.614 ( -0.000 -4.149 -1.475) 4.403 20.911 ( 0.000 0.612 -6.890) 6.918 22.877 ( 0.000 3.957 38.639) 38.841 24.168 ( 0.000 1.937 5.799) 6.114 24.931 ( -0.000 -13.384 44.283) 46.261 24.950 ( 0.000 0.985 -6.788) 6.859 26.390 ( 0.000 5.494 -17.648) 18.483 28.348 ( 0.000 11.483 -28.972) 31.165 31.112 ( -0.000 -0.380 5.115) 5.129 31.688 ( 0.000 2.979 -3.761) 4.798 32.939 ( -0.000 -0.252 31.815) 31.816 33.819 ( -0.000 -4.697 30.165) 30.529 36.163 ( 0.000 0.431 -17.119) 17.124 36.645 ( 0.000 9.334 -20.083) 22.146 40.808 ( -0.000 -10.997 29.406) 31.395 43.151 ( 0.000 2.100 -17.888) 18.011 ======================= Grid point 421 (142/245) ======================= q-point: (-0.62 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -2.925 0.000 4.386) 5.272 2.123 ( -10.860 0.000 -0.770) 10.887 2.217 ( -3.863 0.000 1.786) 4.256 2.223 ( 0.779 -0.000 1.612) 1.790 2.768 ( -3.980 0.000 0.151) 3.983 3.123 ( -5.868 0.000 -0.305) 5.876 5.307 ( -15.473 0.000 19.138) 24.610 5.465 ( -8.852 0.000 7.781) 11.786 5.651 ( -16.384 0.000 38.941) 42.248 6.188 ( -25.207 0.000 -5.287) 25.756 7.121 ( -8.533 0.000 -16.841) 18.880 8.081 ( -5.444 0.000 -5.160) 7.501 11.016 ( 1.459 -0.000 68.046) 68.062 13.015 ( 52.240 -0.000 3.359) 52.348 13.062 ( 4.735 -0.000 -6.253) 7.844 17.153 ( -2.275 0.000 -26.177) 26.275 18.174 ( 19.762 -0.000 -10.454) 22.357 18.351 ( -0.951 0.000 -0.653) 1.154 20.033 ( -11.312 0.000 16.885) 20.324 20.898 ( -17.474 0.000 4.396) 18.018 21.235 ( -21.329 0.000 21.795) 30.495 21.513 ( -24.409 0.000 13.319) 27.806 23.136 ( 3.587 -0.000 7.361) 8.188 24.206 ( -3.489 0.000 14.272) 14.692 24.275 ( 17.041 -0.000 -11.600) 20.615 25.138 ( 12.378 -0.000 10.068) 15.955 26.758 ( -14.273 0.000 -5.310) 15.228 28.140 ( 6.077 -0.000 -19.895) 20.802 30.542 ( 15.750 -0.000 1.925) 15.867 31.458 ( 9.059 -0.000 -11.236) 14.433 32.848 ( 4.272 -0.000 25.139) 25.500 33.568 ( 4.416 -0.000 33.176) 33.468 35.941 ( 5.599 -0.000 -14.154) 15.221 36.942 ( -3.615 0.000 -21.751) 22.049 40.563 ( 2.538 -0.000 29.573) 29.682 43.039 ( 3.598 -0.000 -14.546) 14.984 ======================= Grid point 423 (143/245) ======================= q-point: (-0.54 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -4.286 11.758 7.969) 14.837 2.000 ( -4.883 -10.253 5.943) 12.818 2.125 ( -5.105 1.276 5.114) 7.337 2.227 ( -0.541 0.908 2.037) 2.295 2.722 ( -0.854 0.833 3.448) 3.649 2.997 ( -6.961 2.444 9.129) 11.738 5.014 ( -15.555 0.630 9.349) 18.159 5.317 ( -6.976 0.154 8.647) 11.111 5.403 ( -9.123 -0.616 50.283) 51.108 5.722 ( -23.769 -0.113 -3.958) 24.096 6.994 ( -4.621 0.327 -15.632) 16.304 8.000 ( -3.058 0.754 -7.092) 7.759 11.024 ( 0.897 4.871 68.645) 68.824 13.000 ( -11.311 -1.440 1.063) 11.452 13.933 ( 44.671 0.172 -4.527) 44.900 17.091 ( -3.222 3.408 -26.714) 27.122 18.351 ( 1.007 1.442 -0.337) 1.791 18.574 ( 23.736 3.210 -16.518) 29.096 19.855 ( -9.889 -4.770 26.346) 28.542 20.565 ( -15.695 2.966 8.152) 17.933 20.965 ( -9.276 -5.068 10.400) 14.829 21.076 ( -22.135 -2.489 12.739) 25.660 23.123 ( -4.396 1.316 22.123) 22.594 24.170 ( -0.184 -0.015 8.487) 8.489 24.594 ( 15.462 -1.553 -9.842) 18.395 25.205 ( -6.059 -1.536 20.484) 21.417 26.538 ( -7.516 1.234 -11.022) 13.397 28.265 ( 8.141 2.626 -22.597) 24.162 30.825 ( 13.605 -0.716 3.993) 14.197 31.610 ( 6.795 -0.027 -7.845) 10.379 32.917 ( 3.374 1.477 25.970) 26.230 33.649 ( 3.703 -1.555 34.193) 34.428 36.046 ( 5.378 0.052 -14.831) 15.776 36.865 ( -3.901 1.883 -21.210) 21.648 40.613 ( 2.378 -1.349 29.536) 29.663 43.104 ( 3.352 0.439 -16.022) 16.375 ======================= Grid point 424 (144/245) ======================= q-point: (-0.46 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 1.116 11.735 13.046) 17.583 1.964 ( -4.113 0.998 8.732) 9.703 2.054 ( -1.947 -4.076 9.066) 10.129 2.197 ( -2.453 -2.846 3.936) 5.441 2.708 ( -0.224 3.796 7.854) 8.726 2.850 ( -5.072 6.433 15.425) 17.465 4.755 ( -10.470 1.383 4.221) 11.373 5.198 ( -4.357 2.999 20.971) 21.627 5.330 ( -4.060 -4.421 33.941) 34.467 5.353 ( -12.281 -1.655 4.524) 13.192 6.946 ( -0.469 0.946 -14.713) 14.751 7.955 ( -1.269 1.192 -8.418) 8.596 10.995 ( 0.488 9.525 69.037) 69.692 12.722 ( -16.087 -0.118 13.802) 21.197 14.614 ( 26.802 0.487 -10.762) 28.886 17.002 ( -3.196 5.780 -28.120) 28.885 18.353 ( 0.975 5.662 -0.344) 5.756 18.980 ( 19.471 2.619 -21.575) 29.179 19.735 ( -6.680 -11.696 31.684) 34.428 20.341 ( -6.325 -0.376 13.498) 14.911 20.733 ( -15.624 -3.923 6.660) 17.431 20.915 ( -0.833 -2.714 -0.989) 3.006 22.998 ( -6.369 2.113 33.465) 34.131 24.183 ( 1.027 0.548 5.620) 5.739 24.823 ( 5.662 -3.235 3.365) 7.338 25.004 ( -11.499 -1.837 24.294) 26.941 26.464 ( -0.331 3.130 -16.167) 16.471 28.396 ( 7.014 3.944 -25.957) 27.175 31.033 ( 7.809 -0.480 5.118) 9.349 31.700 ( 3.021 0.914 -5.202) 6.085 32.954 ( 1.885 2.573 27.446) 27.631 33.719 ( 2.090 -3.466 34.173) 34.412 36.131 ( 3.453 -0.003 -15.419) 15.800 36.785 ( -2.571 3.931 -20.857) 21.380 40.665 ( 1.631 -3.621 29.496) 29.762 43.153 ( 2.175 0.808 -17.505) 17.658 ======================= Grid point 425 (145/245) ======================= q-point: (-0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 0.000 8.376 14.521) 16.764 1.856 ( 0.000 11.672 13.331) 17.718 2.070 ( -0.000 -5.745 7.980) 9.833 2.204 ( -0.000 -7.246 5.452) 9.068 2.645 ( 0.000 12.153 15.651) 19.815 2.777 ( 0.000 5.068 12.571) 13.554 4.643 ( 0.000 1.933 2.802) 3.404 5.139 ( 0.000 3.735 28.059) 28.307 5.200 ( -0.000 -0.740 -5.001) 5.056 5.377 ( -0.000 -8.859 35.646) 36.730 6.940 ( 0.000 1.634 -14.755) 14.845 7.937 ( 0.000 1.541 -8.831) 8.964 10.935 ( 0.000 13.437 68.954) 70.251 12.534 ( 0.000 2.815 21.673) 21.855 14.869 ( 0.000 0.910 -13.111) 13.142 16.928 ( 0.000 8.308 -29.572) 30.716 18.318 ( 0.000 8.750 -0.448) 8.761 19.173 ( -0.000 -0.976 -20.182) 20.206 19.765 ( -0.000 -17.309 29.672) 34.351 20.327 ( -0.000 -4.743 18.684) 19.276 20.573 ( -0.000 -2.938 -0.441) 2.971 20.917 ( 0.000 0.428 -6.631) 6.644 22.916 ( 0.000 2.735 37.938) 38.037 24.187 ( 0.000 1.359 5.361) 5.531 24.817 ( -0.000 -6.901 44.223) 44.759 24.959 ( 0.000 0.697 -7.373) 7.406 26.447 ( 0.000 4.192 -17.677) 18.167 28.443 ( 0.000 5.504 -28.108) 28.642 31.108 ( -0.000 -0.194 5.441) 5.444 31.717 ( 0.000 2.036 -3.978) 4.468 32.957 ( 0.000 2.669 29.031) 29.154 33.763 ( -0.000 -4.742 33.207) 33.544 36.165 ( -0.000 -0.068 -15.940) 15.940 36.732 ( 0.000 5.885 -20.735) 21.554 40.710 ( -0.000 -6.210 29.505) 30.152 43.169 ( 0.000 1.110 -18.172) 18.206 ======================= Grid point 436 (146/245) ======================= q-point: (-0.54 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -2.495 0.000 10.228) 10.528 1.916 ( 2.593 -0.000 10.785) 11.093 2.047 ( -3.005 0.000 8.676) 9.181 2.178 ( -5.234 0.000 5.019) 7.252 2.729 ( 0.854 -0.000 6.841) 6.894 2.890 ( -4.864 0.000 15.385) 16.136 4.763 ( -10.464 0.000 4.120) 11.246 5.222 ( -3.497 0.000 6.758) 7.609 5.294 ( -2.767 0.000 56.178) 56.246 5.347 ( -15.082 0.000 -3.208) 15.419 6.952 ( -0.400 0.000 -14.410) 14.416 7.962 ( -1.364 0.000 -8.505) 8.613 11.051 ( 0.464 -0.000 69.247) 69.248 12.722 ( -15.058 0.000 14.125) 20.646 14.617 ( 26.872 -0.000 -10.787) 28.957 17.035 ( -3.416 0.000 -27.475) 27.687 18.386 ( 1.710 -0.000 0.049) 1.711 19.000 ( 18.693 -0.000 -24.150) 30.539 19.662 ( -8.020 0.000 34.198) 35.125 20.339 ( -7.716 0.000 13.418) 15.478 20.710 ( -15.347 0.000 7.187) 16.947 20.899 ( 1.137 -0.000 -1.468) 1.857 23.010 ( -6.497 0.000 33.242) 33.871 24.186 ( 1.247 -0.000 5.531) 5.670 24.803 ( 4.609 -0.000 6.875) 8.277 24.996 ( -9.868 0.000 20.574) 22.818 26.482 ( -0.342 0.000 -16.042) 16.046 28.418 ( 6.665 -0.000 -25.838) 26.684 31.030 ( 8.025 -0.000 5.270) 9.601 31.705 ( 3.294 -0.000 -5.164) 6.125 32.971 ( 1.899 -0.000 26.252) 26.321 33.697 ( 1.920 -0.000 35.303) 35.355 36.130 ( 3.407 -0.000 -15.148) 15.527 36.808 ( -2.549 0.000 -20.928) 21.083 40.645 ( 1.401 -0.000 29.395) 29.429 43.158 ( 2.129 -0.000 -17.602) 17.730 ======================= Grid point 438 (147/245) ======================= q-point: (-0.46 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 0.000 4.783 11.109) 12.095 1.981 ( 0.000 9.877 11.366) 15.058 2.011 ( -0.000 -3.855 10.580) 11.261 2.109 ( -0.000 -8.794 8.431) 12.182 2.731 ( 0.000 3.204 9.150) 9.695 2.832 ( 0.000 3.467 16.337) 16.701 4.659 ( 0.000 0.711 2.580) 2.676 5.183 ( 0.000 3.615 16.198) 16.597 5.194 ( -0.000 -0.282 -4.884) 4.893 5.290 ( -0.000 -5.622 48.414) 48.740 6.952 ( 0.000 0.510 -14.114) 14.124 7.948 ( 0.000 0.503 -8.974) 8.988 11.041 ( 0.000 4.871 69.385) 69.556 12.557 ( 0.000 1.020 21.265) 21.289 14.876 ( 0.000 0.328 -13.341) 13.345 16.990 ( 0.000 2.688 -28.244) 28.372 18.394 ( 0.000 3.656 -0.045) 3.656 19.183 ( 0.000 1.717 -25.018) 25.077 19.607 ( -0.000 -8.627 34.458) 35.522 20.289 ( -0.000 -1.716 18.536) 18.615 20.550 ( -0.000 -1.060 0.137) 1.069 20.921 ( 0.000 0.154 -6.486) 6.488 22.937 ( 0.000 0.973 37.579) 37.591 24.198 ( 0.000 0.487 5.127) 5.150 24.767 ( -0.000 -2.104 43.864) 43.914 24.965 ( 0.000 0.251 -7.704) 7.708 26.480 ( 0.000 1.562 -17.621) 17.690 28.482 ( 0.000 1.584 -27.462) 27.508 31.107 ( -0.000 -0.057 5.618) 5.618 31.733 ( 0.000 0.721 -4.094) 4.157 32.984 ( 0.000 1.559 26.826) 26.871 33.721 ( -0.000 -2.079 35.277) 35.338 36.164 ( -0.000 -0.059 -15.331) 15.331 36.777 ( 0.000 1.986 -20.825) 20.920 40.664 ( -0.000 -1.995 29.361) 29.429 43.177 ( 0.000 0.347 -18.275) 18.279 ======================= Grid point 525 (148/245) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.000 0.000 20.521) 20.521 1.852 ( 0.000 0.000 19.233) 19.233 2.181 ( 0.000 0.000 -6.231) 6.231 2.287 ( 0.000 0.000 0.834) 0.834 2.636 ( 0.000 0.000 24.471) 24.471 2.941 ( 0.000 0.000 10.912) 10.912 4.637 ( 0.000 0.000 6.395) 6.395 5.104 ( 0.000 0.000 -7.698) 7.698 5.266 ( 0.000 0.000 10.724) 10.724 6.227 ( 0.000 0.000 -7.846) 7.846 6.472 ( 0.000 0.000 12.215) 12.215 7.551 ( 0.000 0.000 -13.395) 13.395 11.527 ( 0.000 0.000 73.971) 73.971 12.917 ( 0.000 0.000 30.515) 30.515 14.520 ( 0.000 0.000 -18.456) 18.456 15.284 ( 0.000 0.000 -44.593) 44.593 18.224 ( 0.000 0.000 1.684) 1.684 18.917 ( 0.000 0.000 -19.206) 19.206 20.660 ( 0.000 0.000 -4.267) 4.267 20.736 ( 0.000 0.000 -7.048) 7.048 20.990 ( 0.000 0.000 21.211) 21.211 21.027 ( 0.000 0.000 18.787) 18.787 23.619 ( 0.000 0.000 45.668) 45.668 24.269 ( 0.000 0.000 9.272) 9.272 24.799 ( 0.000 0.000 -7.057) 7.057 25.671 ( 0.000 0.000 -18.954) 18.954 26.561 ( 0.000 0.000 7.167) 7.167 27.067 ( 0.000 0.000 -8.285) 8.285 31.220 ( 0.000 0.000 4.873) 4.873 31.509 ( 0.000 0.000 -4.026) 4.026 33.953 ( 0.000 0.000 28.008) 28.008 34.161 ( 0.000 0.000 23.057) 23.057 35.695 ( 0.000 0.000 -13.921) 13.921 36.004 ( 0.000 0.000 -20.344) 20.344 41.741 ( 0.000 0.000 15.385) 15.385 42.731 ( 0.000 0.000 -14.756) 14.756 ======================= Grid point 526 (149/245) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 4.185 -6.013 18.066) 19.495 1.732 ( -9.698 -1.726 21.702) 23.833 2.192 ( 0.029 -0.373 -6.301) 6.313 2.322 ( 3.664 -0.138 0.192) 3.672 2.731 ( 7.949 -0.506 17.783) 19.486 2.880 ( -5.902 -0.092 9.063) 10.816 4.766 ( 13.086 -0.460 7.970) 15.329 5.239 ( 12.308 -0.105 -3.973) 12.934 5.328 ( 7.403 -1.322 7.833) 10.858 6.246 ( 2.028 1.172 5.430) 5.914 6.439 ( -2.170 -2.279 3.931) 5.036 7.570 ( 1.757 -1.338 -13.116) 13.301 11.529 ( -1.163 -5.219 74.429) 74.621 13.036 ( 10.273 -0.060 18.006) 20.731 14.295 ( -23.253 -0.268 -17.357) 29.018 15.329 ( 2.446 -6.685 -44.171) 44.741 18.175 ( -4.907 1.020 0.809) 5.077 18.637 ( -24.360 -0.547 -11.920) 27.126 20.534 ( -9.074 0.193 6.305) 11.051 20.752 ( 8.129 1.833 1.339) 8.440 21.201 ( 17.308 2.068 10.807) 20.509 21.321 ( 23.446 1.643 9.215) 25.245 23.605 ( -2.175 -0.653 42.298) 42.359 24.317 ( 4.930 0.044 10.829) 11.899 24.763 ( -3.505 0.176 -6.166) 7.095 25.757 ( 4.836 -1.754 -23.100) 23.666 26.485 ( -1.238 13.544 9.505) 16.593 27.080 ( -2.790 -13.053 -9.655) 16.473 31.162 ( -6.201 0.101 4.722) 7.795 31.490 ( -2.368 -0.556 -6.043) 6.514 33.857 ( -6.947 7.014 29.279) 30.899 34.167 ( -1.876 -6.316 22.910) 23.839 35.685 ( -1.229 -0.646 -14.230) 14.297 36.033 ( 2.592 -1.774 -20.375) 20.616 41.660 ( -6.855 3.082 18.938) 20.375 42.726 ( -0.711 -0.498 -15.129) 15.154 ======================= Grid point 527 (150/245) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 5.502 -7.456 13.133) 16.073 1.620 ( -2.891 -6.271 19.414) 20.606 2.183 ( -0.938 -0.434 -5.021) 5.126 2.418 ( 6.085 -0.538 -1.010) 6.191 2.731 ( -7.740 1.432 5.219) 9.444 2.891 ( 6.599 -1.490 6.226) 9.194 5.091 ( 20.089 -0.905 10.310) 22.599 5.432 ( 9.048 -1.990 10.348) 13.889 5.633 ( 21.805 -0.164 -5.639) 22.523 6.286 ( 3.784 0.475 33.055) 33.274 6.487 ( 5.665 -3.181 -17.084) 18.278 7.638 ( 4.610 -2.310 -12.024) 13.083 11.551 ( -1.007 -10.022 73.773) 74.457 13.187 ( 3.959 1.160 0.095) 4.127 13.711 ( -38.147 -0.982 -12.219) 40.068 15.444 ( 3.970 -12.244 -44.117) 45.956 18.043 ( -8.317 -0.691 -0.972) 8.402 18.220 ( -17.806 -1.997 -4.945) 18.588 20.496 ( 5.176 1.188 11.901) 13.032 20.904 ( 9.916 4.193 7.860) 13.330 21.554 ( 20.616 3.586 3.884) 21.283 21.735 ( 22.021 3.426 5.916) 23.058 23.517 ( -8.312 -0.622 33.793) 34.806 24.431 ( 6.785 1.421 13.318) 15.014 24.664 ( -6.730 1.539 -5.253) 8.675 25.685 ( -14.690 -0.746 -16.596) 22.176 26.507 ( 13.021 13.578 3.425) 19.122 27.111 ( -2.822 -16.603 -11.620) 20.461 30.991 ( -11.669 0.638 4.189) 12.414 31.416 ( -6.120 -0.223 -10.591) 12.234 33.655 ( -9.877 5.975 31.709) 33.745 34.151 ( -3.606 -5.813 22.789) 23.794 35.656 ( -2.272 -0.544 -14.420) 14.608 36.118 ( 4.727 -3.386 -21.149) 21.934 41.491 ( -8.278 3.757 24.740) 26.357 42.709 ( -1.463 -0.547 -15.925) 16.001 ======================= Grid point 528 (151/245) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 5.822 -5.163 10.146) 12.787 1.712 ( 4.502 -10.248 8.497) 14.053 2.172 ( -0.562 -1.137 -3.330) 3.563 2.539 ( 4.377 1.706 3.517) 5.868 2.584 ( -4.866 -1.460 -4.984) 7.117 3.000 ( 4.557 0.104 -2.771) 5.334 5.485 ( 20.876 -1.017 11.186) 23.706 5.627 ( 10.526 -1.786 11.754) 15.879 6.057 ( 22.523 -0.197 -7.339) 23.690 6.415 ( 9.610 -1.285 38.857) 40.048 6.656 ( 10.084 -2.177 -20.407) 22.867 7.774 ( 8.461 -2.801 -10.149) 13.506 11.606 ( -0.310 -13.355 69.768) 71.035 12.944 ( -42.941 -1.781 -3.285) 43.103 13.138 ( -8.395 1.516 -3.991) 9.418 15.613 ( 5.831 -14.662 -44.088) 46.827 17.885 ( -9.406 -2.266 -1.191) 9.748 18.064 ( -0.638 -3.989 -5.693) 6.981 20.669 ( 13.418 4.022 14.094) 19.871 21.077 ( 11.136 3.835 9.280) 14.995 21.897 ( 18.171 4.752 2.636) 18.966 22.099 ( 19.517 4.336 4.049) 20.398 23.300 ( -14.565 0.083 24.132) 28.187 24.409 ( -10.277 8.693 -4.678) 14.250 24.594 ( 2.904 -0.742 12.394) 12.751 25.318 ( -22.664 -0.893 -4.003) 23.032 26.733 ( 15.537 6.610 -3.405) 17.224 27.167 ( -0.817 -14.576 -12.039) 18.923 30.731 ( -15.207 1.561 3.179) 15.614 31.262 ( -10.051 1.049 -15.126) 18.191 33.450 ( -8.885 2.854 33.189) 34.476 34.104 ( -4.253 -4.020 22.830) 23.568 35.610 ( -2.731 -0.205 -13.780) 14.049 36.236 ( 5.270 -4.111 -22.799) 23.758 41.330 ( -6.726 3.028 28.252) 29.199 42.678 ( -2.010 -0.411 -16.774) 16.899 ======================= Grid point 529 (152/245) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 5.626 -4.695 2.426) 7.719 1.852 ( 5.827 -8.362 1.584) 10.315 2.173 ( -0.407 -1.386 -1.246) 1.908 2.437 ( -5.462 1.543 -1.265) 5.815 2.696 ( 6.984 -2.233 -5.187) 8.981 3.063 ( 2.838 1.592 -8.811) 9.393 5.830 ( 10.575 -0.851 12.254) 16.208 5.868 ( 19.181 -0.699 11.022) 22.133 6.451 ( 19.023 -0.591 -8.180) 20.715 6.625 ( 10.920 -1.836 37.474) 39.076 6.864 ( 10.504 -1.304 -18.960) 21.715 7.975 ( 10.812 -2.525 -8.753) 14.138 11.690 ( 0.801 -13.986 59.989) 61.603 12.181 ( -38.680 -2.798 8.061) 39.610 12.900 ( -15.030 1.754 4.853) 15.891 15.822 ( 7.607 -13.822 -44.432) 47.150 17.748 ( -6.190 -1.655 1.832) 6.664 18.173 ( 7.479 -5.385 -9.012) 12.890 20.907 ( 15.055 7.591 13.373) 21.520 21.271 ( 11.007 2.123 6.084) 12.755 22.153 ( 11.168 3.990 3.817) 12.459 22.417 ( 17.063 3.742 0.654) 17.481 23.018 ( -13.906 0.294 17.699) 22.510 24.118 ( -12.020 10.136 -10.098) 18.686 24.631 ( -0.937 0.158 14.565) 14.596 24.893 ( -23.402 -2.258 5.224) 24.084 26.977 ( 12.446 0.981 -5.186) 13.519 27.241 ( 0.763 -10.736 -11.039) 15.418 30.427 ( -15.504 2.360 1.826) 15.789 31.045 ( -11.562 2.281 -18.415) 21.863 33.301 ( -6.118 0.371 33.044) 33.608 34.045 ( -3.910 -2.373 23.007) 23.457 35.560 ( -2.545 0.016 -12.542) 12.798 36.350 ( 4.400 -3.797 -24.582) 25.260 41.208 ( -4.767 2.063 29.736) 30.187 42.641 ( -2.112 -0.268 -17.487) 17.616 ======================= Grid point 530 (153/245) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 2.290 -3.157 -2.336) 4.547 2.018 ( 5.852 -6.214 -6.149) 10.520 2.157 ( -1.382 0.658 0.537) 1.623 2.358 ( -2.677 0.073 -4.275) 5.045 2.831 ( 5.791 -2.215 -5.142) 8.055 3.092 ( 1.594 2.233 -11.788) 12.103 6.006 ( 7.675 -0.298 12.708) 14.849 6.209 ( 16.513 0.066 10.222) 19.421 6.750 ( 11.189 -0.683 2.314) 11.446 6.813 ( 8.538 -1.711 24.558) 26.056 7.042 ( 7.598 -0.651 -16.704) 18.362 8.179 ( 9.079 -1.623 -9.233) 13.050 11.542 ( -26.351 -1.959 18.558) 32.290 11.835 ( 2.582 -12.755 42.804) 44.739 12.596 ( -15.432 2.825 23.235) 28.035 16.034 ( 7.116 -10.112 -45.861) 47.499 17.669 ( -3.321 -1.114 6.133) 7.063 18.347 ( 7.228 -3.699 -9.354) 12.386 21.130 ( 13.434 8.489 9.602) 18.567 21.431 ( 6.456 1.494 2.004) 6.923 22.257 ( 2.550 1.268 3.478) 4.495 22.594 ( -3.775 -1.207 -8.935) 9.774 22.921 ( 11.836 4.077 20.752) 24.236 23.929 ( -3.335 5.237 -10.838) 12.490 24.416 ( -21.446 0.393 16.552) 27.094 24.603 ( -7.862 -0.553 8.862) 11.860 27.172 ( 7.904 -1.837 -5.901) 10.034 27.310 ( 1.215 -6.443 -9.689) 11.699 30.153 ( -11.783 2.327 0.554) 12.024 30.831 ( -9.207 2.392 -20.522) 22.620 33.214 ( -3.376 -0.586 32.100) 32.282 33.991 ( -2.732 -1.164 23.287) 23.476 35.519 ( -1.795 0.085 -11.296) 11.438 36.437 ( 2.814 -2.648 -25.977) 26.263 41.128 ( -2.895 1.185 30.278) 30.439 42.606 ( -1.624 -0.147 -17.971) 18.045 ======================= Grid point 531 (154/245) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 1.490 -1.396 -5.596) 5.956 2.072 ( -1.476 -0.746 -7.493) 7.673 2.174 ( 2.740 -0.881 -2.839) 4.043 2.321 ( -1.422 0.059 -4.056) 4.298 2.922 ( 2.448 -1.197 -5.037) 5.727 3.100 ( 0.429 1.236 -12.753) 12.820 6.108 ( 2.861 -0.036 13.071) 13.380 6.449 ( 7.888 0.277 8.662) 11.719 6.844 ( 0.813 -0.655 29.220) 29.239 6.967 ( 4.944 -0.493 -3.500) 6.078 7.143 ( 2.733 -0.181 -14.420) 14.678 8.307 ( 3.522 -0.539 -10.799) 11.372 11.195 ( -10.130 -0.744 24.179) 26.226 11.987 ( 5.730 -7.745 11.134) 14.724 12.324 ( -10.172 3.965 57.111) 58.145 16.174 ( 3.006 -3.771 -47.434) 47.678 17.633 ( -1.120 -0.385 9.382) 9.456 18.458 ( 2.805 -1.183 -8.216) 8.761 21.291 ( 6.959 4.690 3.936) 9.269 21.485 ( 0.364 0.054 2.096) 2.128 22.294 ( 2.760 -0.436 0.292) 2.809 22.435 ( -8.551 -0.564 -4.753) 9.800 23.283 ( 24.411 3.353 12.547) 27.651 23.748 ( -20.759 -2.758 0.617) 20.951 24.178 ( 1.161 3.245 13.975) 14.393 24.449 ( -7.910 -0.565 5.919) 9.896 27.282 ( 2.666 -1.416 -6.378) 7.056 27.352 ( 0.606 -1.906 -8.793) 9.017 29.987 ( -4.438 1.006 -0.179) 4.555 30.698 ( -3.509 1.033 -21.611) 21.918 33.176 ( -1.063 -0.338 31.373) 31.392 33.960 ( -0.979 -0.338 23.515) 23.538 35.495 ( -0.647 0.042 -10.544) 10.564 36.483 ( 0.959 -0.948 -26.733) 26.767 41.087 ( -0.982 0.387 30.448) 30.467 42.586 ( -0.611 -0.046 -18.208) 18.219 ======================= Grid point 539 (155/245) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 7.007 -0.000 13.802) 15.478 1.586 ( -3.786 0.000 20.183) 20.535 2.180 ( -1.014 0.000 -5.571) 5.663 2.414 ( 5.997 -0.000 -1.336) 6.144 2.741 ( -8.241 0.000 5.033) 9.656 2.882 ( 7.484 -0.000 6.930) 10.200 5.085 ( 20.112 -0.000 10.430) 22.655 5.420 ( 9.118 -0.000 10.460) 13.876 5.632 ( 21.940 -0.000 -5.886) 22.716 6.288 ( 2.958 -0.000 34.635) 34.761 6.469 ( 6.405 -0.000 -18.775) 19.838 7.624 ( 4.675 -0.000 -11.872) 12.760 11.493 ( -0.891 0.000 73.428) 73.434 13.194 ( 4.187 -0.000 -0.933) 4.289 13.705 ( -38.319 0.000 -12.404) 40.277 15.371 ( 4.346 -0.000 -43.648) 43.864 18.040 ( -9.248 0.000 -1.113) 9.314 18.208 ( -17.720 0.000 -4.747) 18.344 20.503 ( 5.570 -0.000 12.135) 13.353 20.929 ( 9.680 -0.000 7.907) 12.499 21.575 ( 20.620 -0.000 3.286) 20.880 21.754 ( 21.940 -0.000 5.734) 22.677 23.514 ( -8.033 0.000 34.511) 35.433 24.440 ( 7.537 -0.000 13.720) 15.654 24.673 ( -6.543 0.000 -5.320) 8.433 25.680 ( -13.935 0.000 -17.862) 22.655 26.611 ( 10.796 -0.000 -0.230) 10.798 26.991 ( -2.070 0.000 -7.565) 7.843 30.995 ( -11.517 0.000 4.064) 12.213 31.415 ( -5.805 0.000 -10.726) 12.196 33.694 ( -11.475 0.000 30.983) 33.040 34.112 ( -2.377 0.000 22.578) 22.702 35.652 ( -2.090 0.000 -13.563) 13.723 36.098 ( 4.815 -0.000 -21.265) 21.803 41.513 ( -8.895 0.000 24.189) 25.772 42.705 ( -1.359 0.000 -15.529) 15.589 ======================= Grid point 540 (156/245) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 5.847 -1.350 10.867) 12.414 1.626 ( 6.518 -4.417 9.229) 12.131 2.163 ( -0.742 -0.394 -4.030) 4.116 2.538 ( 6.904 -0.669 -3.964) 7.989 2.587 ( -7.758 0.693 1.892) 8.015 3.001 ( 5.222 0.053 -2.021) 5.600 5.476 ( 21.054 -0.379 11.339) 23.916 5.611 ( 10.972 -0.756 11.681) 16.043 6.056 ( 22.404 -0.066 -7.447) 23.609 6.403 ( 9.201 -0.643 39.119) 40.192 6.639 ( 10.774 -0.736 -20.546) 23.211 7.752 ( 8.685 -1.080 -9.833) 13.164 11.501 ( 0.290 -4.810 69.569) 69.736 12.930 ( -43.359 -0.691 -3.621) 43.515 13.151 ( -8.350 0.609 -5.877) 10.229 15.495 ( 7.237 -5.414 -43.765) 44.688 17.867 ( -8.830 -0.791 -1.496) 8.991 18.033 ( -1.568 -1.412 -5.682) 6.061 20.700 ( 14.527 1.438 14.356) 20.474 21.107 ( 9.960 1.393 10.295) 14.392 21.936 ( 17.932 1.819 0.922) 18.048 22.131 ( 19.009 1.398 3.434) 19.368 23.301 ( -14.311 0.084 26.093) 29.760 24.490 ( -10.318 4.866 -4.958) 12.439 24.577 ( 4.327 -1.818 13.120) 13.934 25.310 ( -23.500 -0.442 -6.320) 24.339 26.823 ( 13.042 7.967 -6.395) 16.567 27.014 ( 1.061 -10.864 -7.878) 13.462 30.743 ( -15.008 0.543 2.997) 15.314 31.270 ( -9.500 0.412 -15.670) 18.329 33.477 ( -10.501 1.448 32.806) 34.477 34.068 ( -3.050 -1.856 22.266) 22.550 35.609 ( -2.576 -0.070 -12.998) 13.251 36.203 ( 5.658 -1.500 -22.728) 23.470 41.354 ( -7.478 1.132 27.861) 28.869 42.675 ( -1.899 -0.160 -16.326) 16.437 ======================= Grid point 541 (157/245) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 6.536 -2.608 2.642) 7.517 1.776 ( 7.830 -4.792 2.007) 9.396 2.161 ( 0.158 -0.701 -2.015) 2.139 2.449 ( -6.248 0.595 -2.760) 6.856 2.676 ( 7.006 -1.210 -3.942) 8.129 3.077 ( 3.262 0.864 -8.215) 8.881 5.821 ( 10.757 -0.653 12.203) 16.280 5.862 ( 19.768 -0.428 11.088) 22.669 6.445 ( 18.940 -0.332 -8.321) 20.690 6.607 ( 10.907 -1.292 37.221) 38.808 6.852 ( 10.981 -0.692 -18.198) 21.266 7.951 ( 11.305 -1.544 -8.271) 14.092 11.562 ( 2.488 -7.982 61.001) 61.571 12.155 ( -38.994 -1.640 7.098) 39.669 12.917 ( -14.933 1.033 2.757) 15.220 15.696 ( 9.936 -7.814 -44.304) 46.072 17.734 ( -5.796 -0.829 0.879) 5.921 18.122 ( 7.887 -3.309 -9.021) 12.431 20.978 ( 15.986 4.509 13.197) 21.214 21.288 ( 9.934 0.806 7.841) 12.681 22.194 ( 10.342 2.820 1.392) 10.810 22.448 ( 15.491 1.686 -0.625) 15.595 23.021 ( -13.604 0.251 20.835) 24.884 24.220 ( -12.946 7.028 -9.973) 17.789 24.632 ( -0.211 0.083 13.605) 13.607 24.866 ( -24.054 -2.164 4.801) 24.624 26.994 ( 8.592 1.952 -5.566) 10.422 27.133 ( 5.167 -7.714 -9.673) 13.408 30.448 ( -15.559 1.199 1.692) 15.697 31.067 ( -11.220 1.474 -19.243) 22.324 33.306 ( -7.003 0.507 33.176) 33.911 34.020 ( -3.037 -1.663 22.285) 22.553 35.561 ( -2.490 0.004 -12.092) 12.346 36.316 ( 5.092 -2.159 -24.380) 25.000 41.227 ( -5.392 1.194 29.519) 30.031 42.639 ( -2.026 -0.160 -17.127) 17.247 ======================= Grid point 542 (158/245) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 3.455 -1.969 -1.606) 4.289 1.957 ( 7.375 -4.383 -6.841) 10.973 2.167 ( 0.310 0.962 0.029) 1.012 2.356 ( -3.522 -0.334 -4.668) 5.857 2.806 ( 5.766 -1.922 -4.628) 7.640 3.115 ( 1.518 1.553 -11.568) 11.770 6.001 ( 7.831 -0.437 12.708) 14.933 6.209 ( 16.825 0.022 10.178) 19.664 6.746 ( 11.468 0.023 2.588) 11.757 6.792 ( 8.656 -1.936 23.945) 25.535 7.036 ( 7.934 -0.432 -15.800) 17.685 8.162 ( 9.708 -1.258 -8.756) 13.134 11.524 ( -25.483 -1.056 18.536) 31.529 11.704 ( 4.298 -9.718 44.865) 46.106 12.625 ( -14.583 2.115 19.874) 24.741 15.935 ( 10.492 -6.950 -45.652) 47.355 17.658 ( -3.026 -0.816 5.139) 6.019 18.304 ( 8.268 -3.440 -9.497) 13.053 21.218 ( 12.772 6.732 9.325) 17.187 21.443 ( 5.935 0.397 2.848) 6.595 22.277 ( 1.193 2.096 2.499) 3.473 22.577 ( -5.352 -1.604 -7.204) 9.117 22.960 ( 12.660 2.671 20.235) 24.018 23.992 ( -7.723 5.392 -12.296) 15.489 24.420 ( -19.966 0.332 16.871) 26.141 24.591 ( -7.386 -1.346 9.337) 11.981 27.128 ( 4.827 -5.012 -4.915) 8.519 27.270 ( 6.392 -1.150 -10.161) 12.059 30.173 ( -12.460 1.276 0.557) 12.538 30.858 ( -9.456 2.127 -21.248) 23.354 33.209 ( -3.482 -0.276 32.401) 32.589 33.978 ( -2.171 -1.035 22.680) 22.807 35.519 ( -1.827 0.015 -11.095) 11.245 36.411 ( 3.749 -1.862 -25.781) 26.118 41.140 ( -3.397 0.851 30.159) 30.362 42.605 ( -1.558 -0.110 -17.746) 17.815 ======================= Grid point 543 (159/245) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 2.358 -1.341 -4.908) 5.608 2.063 ( 1.695 -0.951 -9.910) 10.099 2.179 ( 2.613 1.598 -1.273) 3.317 2.315 ( -1.582 -0.930 -4.134) 4.523 2.902 ( 2.907 -2.089 -4.925) 6.088 3.117 ( -0.307 1.499 -12.718) 12.810 6.105 ( 2.800 -0.355 13.091) 13.392 6.451 ( 7.666 0.178 8.499) 11.447 6.840 ( 1.525 -0.161 30.554) 30.593 6.959 ( 5.421 -0.869 -4.881) 7.346 7.141 ( 2.959 -0.132 -13.992) 14.302 8.301 ( 4.145 -0.506 -10.585) 11.379 11.187 ( -9.365 -0.692 23.985) 25.758 11.896 ( 9.529 -7.596 21.193) 24.447 12.373 ( -9.769 4.238 46.764) 47.961 16.137 ( 7.428 -2.691 -47.345) 48.000 17.626 ( -0.859 -0.646 8.907) 8.972 18.436 ( 3.644 -2.375 -8.231) 9.309 21.346 ( 2.755 4.901 3.387) 6.563 21.484 ( -0.147 -0.323 2.437) 2.463 22.294 ( 3.010 0.460 0.731) 3.132 22.428 ( -7.613 -0.688 -4.371) 8.805 23.319 ( 23.896 2.738 12.428) 27.073 23.722 ( -22.275 -1.696 0.917) 22.359 24.220 ( 0.177 4.024 13.157) 13.759 24.435 ( -8.642 -1.881 6.087) 10.737 27.225 ( 1.940 -6.064 -4.869) 8.015 27.373 ( 4.950 3.089 -10.237) 11.783 29.993 ( -5.797 0.175 -0.027) 5.800 30.714 ( -4.358 1.545 -21.973) 22.455 33.173 ( -0.702 -0.211 31.507) 31.516 33.956 ( -0.610 -0.435 23.279) 23.292 35.495 ( -0.729 -0.054 -10.470) 10.496 36.473 ( 2.058 -0.739 -26.659) 26.749 41.091 ( -1.434 0.321 30.408) 30.444 42.585 ( -0.558 -0.043 -18.131) 18.140 ======================= Grid point 544 (160/245) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 0.080 0.574 -5.804) 5.833 2.085 ( 2.581 1.744 -5.634) 6.437 2.197 ( -1.219 2.693 -4.431) 5.327 2.313 ( 1.130 -1.241 -3.785) 4.141 2.925 ( -1.540 -0.644 -5.051) 5.320 3.092 ( -1.607 -0.123 -13.000) 13.099 6.106 ( -2.916 -0.357 13.072) 13.398 6.445 ( -8.071 -0.318 8.824) 11.962 6.854 ( -0.056 1.067 29.257) 29.276 6.969 ( -4.552 -0.064 -3.647) 5.834 7.145 ( -2.491 0.187 -14.760) 14.970 8.313 ( -2.895 0.441 -11.003) 11.386 11.203 ( 10.985 0.589 24.316) 26.688 12.056 ( 1.294 3.570 -4.595) 5.961 12.296 ( 7.547 -0.266 73.176) 73.565 16.220 ( 1.688 4.146 -47.746) 47.956 17.634 ( 1.517 -0.062 9.736) 9.854 18.460 ( -1.911 -0.704 -8.002) 8.257 21.242 ( -11.241 -3.779 4.595) 12.718 21.486 ( -1.049 0.196 1.813) 2.104 22.304 ( -2.427 1.360 -0.436) 2.816 22.441 ( 9.337 0.438 -4.774) 10.495 23.245 ( -25.616 -3.195 12.860) 28.840 23.782 ( 21.051 3.005 0.534) 21.271 24.148 ( -4.061 -1.898 13.636) 14.354 24.448 ( 7.792 -0.601 6.469) 10.145 27.255 ( -2.178 -3.839 -4.885) 6.584 27.415 ( 2.700 6.740 -10.557) 12.812 29.970 ( 3.041 -1.762 0.076) 3.516 30.692 ( 2.571 -0.141 -21.507) 21.661 33.181 ( 1.477 0.401 31.187) 31.224 33.963 ( 1.331 0.136 23.807) 23.845 35.494 ( 0.572 -0.143 -10.545) 10.562 36.494 ( 0.197 0.945 -26.844) 26.862 41.083 ( 0.506 -0.364 30.491) 30.497 42.586 ( 0.667 0.038 -18.290) 18.302 ======================= Grid point 545 (161/245) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -0.876 3.595 -2.550) 4.494 2.094 ( -3.780 6.851 -5.990) 9.854 2.155 ( 2.481 0.449 1.215) 2.799 2.352 ( 1.992 -1.029 -3.837) 4.443 2.853 ( -5.475 1.519 -5.511) 7.916 3.066 ( -1.880 -2.185 -12.355) 12.687 6.007 ( -7.489 -0.081 12.748) 14.785 6.208 ( -16.171 -0.116 10.265) 19.154 6.761 ( -11.398 1.107 0.390) 11.458 6.830 ( -7.996 1.126 26.667) 27.863 7.050 ( -7.177 0.726 -17.554) 18.978 8.197 ( -8.401 1.545 -9.772) 12.979 11.566 ( 27.515 2.106 18.478) 33.211 11.983 ( -0.525 12.659 38.288) 40.330 12.564 ( 16.332 -2.581 29.300) 33.644 16.158 ( -3.137 11.281 -46.304) 47.761 17.682 ( 3.924 1.105 7.165) 8.244 18.381 ( -5.844 2.109 -8.956) 10.900 21.031 ( -14.585 -8.635 10.140) 19.751 21.413 ( -7.171 -1.391 1.091) 7.385 22.251 ( -3.826 0.265 3.755) 5.367 22.603 ( 0.799 0.360 -10.350) 10.387 22.870 ( -10.015 -4.777 21.743) 24.410 23.879 ( -1.272 -3.340 -9.885) 10.511 24.412 ( 23.308 -0.221 15.802) 28.161 24.603 ( 7.823 -0.608 9.171) 12.069 27.174 ( -8.137 -0.957 -4.744) 9.467 27.405 ( 1.423 9.339 -11.567) 14.934 30.121 ( 11.089 -3.176 0.887) 11.568 30.807 ( 8.823 -1.768 -19.917) 21.855 33.222 ( 3.403 0.848 31.654) 31.847 34.003 ( 3.252 0.888 24.085) 24.319 35.517 ( 1.790 -0.160 -11.423) 11.563 36.469 ( -1.718 2.830 -26.261) 26.469 41.114 ( 2.308 -1.240 30.418) 30.530 42.608 ( 1.699 0.148 -18.238) 18.318 ======================= Grid point 546 (162/245) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -4.059 6.013 2.651) 7.724 1.959 ( -3.723 9.916 0.634) 10.611 2.192 ( 1.162 1.883 -0.244) 2.226 2.413 ( 3.884 -2.681 0.224) 4.725 2.725 ( -6.489 2.657 -6.188) 9.352 3.042 ( -2.165 -1.971 -9.837) 10.264 5.839 ( -10.358 0.617 12.375) 16.149 5.876 ( -18.446 0.669 10.967) 21.471 6.458 ( -19.197 0.709 -8.091) 20.844 6.646 ( -11.034 1.637 37.321) 38.952 6.881 ( -9.822 1.621 -19.388) 21.794 8.005 ( -10.201 2.717 -9.401) 14.136 11.868 ( 2.058 16.444 57.287) 59.636 12.216 ( 37.818 3.237 9.806) 39.202 12.879 ( 15.194 -1.916 8.460) 17.495 15.999 ( -4.629 16.743 -44.671) 47.929 17.771 ( 6.864 2.319 3.017) 7.848 18.237 ( -6.550 5.416 -8.786) 12.224 20.811 ( -14.198 -9.066 13.595) 21.647 21.242 ( -12.030 -2.796 3.948) 12.966 22.110 ( -12.750 -3.208 6.353) 14.602 22.362 ( -19.124 -5.861 2.859) 20.206 23.015 ( 14.463 -0.185 13.793) 19.986 24.002 ( 10.563 -9.606 -10.410) 17.670 24.628 ( 1.005 -0.243 15.512) 15.546 24.914 ( 23.421 1.304 6.032) 24.220 26.970 ( -13.809 -0.371 -4.049) 14.396 27.370 ( 1.354 11.522 -13.528) 17.821 30.395 ( 15.552 -3.254 2.226) 16.044 31.019 ( 11.932 -2.202 -17.459) 21.262 33.300 ( 5.323 0.271 32.661) 33.093 34.071 ( 4.736 2.065 24.132) 24.679 35.560 ( 2.658 -0.023 -12.967) 13.236 36.399 ( -3.471 4.527 -24.957) 25.601 41.182 ( 3.942 -2.406 30.026) 30.379 42.644 ( 2.221 0.302 -17.981) 18.120 ======================= Grid point 547 (163/245) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -5.208 7.606 9.558) 13.279 1.848 ( -2.073 13.143 6.772) 14.930 2.188 ( 0.131 1.654 -2.185) 2.743 2.499 ( -0.333 -4.809 6.214) 7.865 2.618 ( 0.285 3.892 -6.512) 7.592 2.999 ( -3.266 0.028 -4.122) 5.259 5.499 ( -20.530 1.365 10.957) 23.311 5.648 ( -9.916 1.796 11.917) 15.607 6.060 ( -22.699 0.305 -7.149) 23.800 6.428 ( -10.451 1.033 37.514) 38.956 6.687 ( -8.898 3.072 -19.242) 21.421 7.811 ( -8.136 3.512 -10.689) 13.885 11.793 ( 1.437 18.798 69.737) 72.240 12.967 ( 41.787 2.145 -2.829) 41.938 13.119 ( 9.044 -1.701 -0.533) 9.218 15.814 ( -3.781 19.891 -44.382) 48.782 17.918 ( 10.403 3.428 -0.723) 10.977 18.121 ( -0.673 5.721 -5.697) 8.102 20.611 ( -11.513 -5.925 13.795) 18.920 21.024 ( -12.902 -5.060 7.519) 15.767 21.833 ( -18.893 -6.084 5.295) 20.543 22.033 ( -20.442 -7.199 5.388) 22.333 23.300 ( 14.961 0.197 20.826) 25.643 24.302 ( 12.522 -9.672 -6.782) 17.215 24.594 ( -3.395 -0.521 14.176) 14.586 25.327 ( 21.381 0.698 -0.504) 21.398 26.678 ( -17.986 -3.074 -1.807) 18.336 27.333 ( 2.687 14.112 -15.794) 21.350 30.708 ( 15.636 -2.334 3.598) 16.214 31.248 ( 10.921 -1.241 -14.264) 18.007 33.420 ( 7.063 -2.074 33.455) 34.256 34.150 ( 5.431 3.797 24.022) 24.919 35.613 ( 3.002 0.320 -14.780) 15.085 36.293 ( -4.608 5.676 -23.119) 24.247 41.289 ( 5.521 -4.023 28.874) 29.671 42.684 ( 2.168 0.512 -17.527) 17.668 ======================= Grid point 548 (164/245) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -1.508 8.519 13.790) 16.279 1.736 ( 0.109 13.758 15.228) 20.523 2.189 ( 0.637 0.613 -3.702) 3.806 2.420 ( -5.971 -0.386 0.236) 5.988 2.716 ( 6.969 -0.837 5.125) 8.691 2.915 ( -4.850 2.591 4.726) 7.250 5.105 ( -20.010 1.615 10.003) 22.429 5.459 ( -9.060 2.608 9.866) 13.646 5.636 ( -21.301 0.430 -4.806) 21.841 6.276 ( -5.586 -1.193 29.997) 30.536 6.537 ( -4.143 5.183 -13.661) 15.187 7.673 ( -4.501 3.609 -12.423) 13.697 11.714 ( 1.361 17.871 74.555) 76.679 13.170 ( -3.300 -1.669 2.703) 4.580 13.726 ( 37.683 1.663 -11.741) 39.505 15.635 ( -3.117 20.372 -44.930) 49.432 18.060 ( 6.230 2.447 -0.868) 6.750 18.250 ( 17.676 3.022 -5.317) 18.704 20.477 ( -4.058 -2.126 11.383) 12.270 20.839 ( -10.532 -7.018 7.769) 14.850 21.496 ( -20.743 -6.349 5.361) 22.345 21.676 ( -22.177 -6.785 6.535) 24.095 23.528 ( 9.039 1.189 31.796) 33.077 24.411 ( -4.726 -2.056 12.179) 13.225 24.637 ( 7.133 -3.205 -4.837) 9.195 25.690 ( 16.141 -0.304 -11.901) 20.057 26.366 ( -17.787 -9.916 6.418) 21.352 27.310 ( 4.287 17.152 -17.242) 24.696 30.981 ( 12.117 -1.119 4.558) 12.994 31.420 ( 6.950 0.398 -10.233) 12.376 33.582 ( 7.488 -6.049 33.097) 34.469 34.222 ( 5.038 6.000 23.719) 24.979 35.664 ( 2.699 0.890 -16.235) 16.482 36.172 ( -4.446 5.923 -21.158) 22.417 41.433 ( 6.759 -6.106 26.085) 27.630 42.717 ( 1.677 0.793 -16.930) 17.031 ======================= Grid point 549 (165/245) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -2.856 14.035 15.353) 20.997 1.772 ( 8.031 5.226 20.754) 22.859 2.199 ( 0.578 0.703 -4.655) 4.743 2.325 ( -3.995 0.268 -0.081) 4.005 2.744 ( -5.978 1.733 16.711) 17.833 2.884 ( 4.774 0.866 9.626) 10.780 4.776 ( -13.130 1.291 7.737) 15.294 5.240 ( -13.137 0.004 -5.050) 14.075 5.357 ( -6.397 3.430 9.324) 11.816 6.221 ( -2.261 -3.053 9.280) 10.027 6.487 ( 1.834 5.646 0.969) 6.015 7.598 ( -1.671 3.266 -13.469) 13.959 11.644 ( 1.152 14.607 75.352) 76.763 13.038 ( -9.287 0.318 18.757) 20.932 14.300 ( 23.027 0.714 -17.271) 28.793 15.472 ( -2.440 17.601 -45.016) 48.396 18.158 ( 3.948 -1.662 1.351) 4.492 18.646 ( 22.993 0.963 -12.603) 26.238 20.529 ( 9.280 -0.628 6.518) 11.358 20.713 ( -6.698 -4.978 2.670) 8.762 21.156 ( -18.074 -5.792 10.814) 21.844 21.284 ( -23.135 -4.770 8.857) 25.227 23.620 ( 2.384 1.835 41.763) 41.871 24.316 ( -4.400 -0.024 10.678) 11.549 24.758 ( 4.070 -0.659 -6.664) 7.837 25.796 ( -4.526 4.838 -23.109) 24.040 26.271 ( -0.101 -20.762 17.629) 27.237 27.284 ( 3.645 19.564 -16.548) 25.882 31.160 ( 6.424 -0.234 4.993) 8.140 31.502 ( 2.745 1.490 -6.116) 6.868 33.750 ( 5.081 -9.986 31.481) 33.415 34.260 ( 3.173 8.298 23.250) 24.889 35.698 ( 1.593 1.527 -16.599) 16.745 36.072 ( -2.626 5.021 -19.882) 20.674 41.596 ( 5.747 -7.781 21.128) 23.237 42.735 ( 0.897 1.092 -16.245) 16.306 ======================= Grid point 550 (166/245) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 12.027 18.657) 22.198 1.860 ( 0.000 1.501 18.836) 18.896 2.194 ( 0.000 2.119 -5.739) 6.117 2.284 ( -0.000 -0.568 1.040) 1.185 2.650 ( 0.000 2.485 24.010) 24.138 2.939 ( -0.000 -0.210 11.189) 11.191 4.642 ( 0.000 0.843 6.276) 6.332 5.103 ( -0.000 -0.179 -7.630) 7.632 5.284 ( 0.000 2.948 10.945) 11.335 6.215 ( -0.000 -2.186 -4.096) 4.642 6.492 ( 0.000 3.579 9.230) 9.900 7.566 ( 0.000 2.571 -13.638) 13.878 11.586 ( 0.000 10.128 74.556) 75.241 12.924 ( 0.000 1.198 30.302) 30.326 14.522 ( 0.000 0.293 -18.528) 18.530 15.359 ( 0.000 12.689 -45.019) 46.773 18.208 ( -0.000 -2.453 2.016) 3.176 18.912 ( -0.000 -0.866 -19.346) 19.365 20.654 ( -0.000 -1.031 -3.954) 4.087 20.740 ( 0.000 0.584 -7.018) 7.042 20.963 ( -0.000 -4.877 21.473) 22.020 21.000 ( -0.000 -4.371 18.697) 19.201 23.627 ( 0.000 1.402 45.598) 45.620 24.271 ( 0.000 0.429 9.109) 9.119 24.799 ( -0.000 -0.007 -7.169) 7.169 25.690 ( 0.000 3.218 -17.843) 18.131 26.416 ( -0.000 -19.978 11.573) 23.088 27.208 ( 0.000 19.346 -13.423) 23.547 31.220 ( 0.000 0.013 5.018) 5.018 31.517 ( 0.000 1.388 -4.144) 4.371 33.864 ( -0.000 -11.468 29.664) 31.803 34.239 ( 0.000 9.666 22.965) 24.916 35.704 ( 0.000 1.537 -15.553) 15.629 36.023 ( 0.000 3.406 -19.852) 20.142 41.700 ( -0.000 -6.834 17.035) 18.354 42.737 ( 0.000 1.069 -15.499) 15.536 ======================= Grid point 553 (167/245) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 6.209 -0.000 3.832) 7.296 1.748 ( 9.287 -0.000 1.077) 9.349 2.157 ( 0.361 -0.000 -2.305) 2.333 2.452 ( -6.420 0.000 -3.410) 7.269 2.669 ( 6.903 -0.000 -3.368) 7.681 3.082 ( 3.404 -0.000 -8.019) 8.712 5.817 ( 10.859 -0.000 12.188) 16.323 5.859 ( 19.966 -0.000 11.121) 22.854 6.443 ( 18.925 -0.000 -8.400) 20.705 6.599 ( 10.923 -0.000 37.052) 38.629 6.848 ( 11.143 -0.000 -17.814) 21.012 7.942 ( 11.496 -0.000 -8.092) 14.059 11.516 ( 3.054 -0.000 61.237) 61.313 12.146 ( -39.073 0.000 6.774) 39.656 12.923 ( -14.904 0.000 2.066) 15.046 15.651 ( 10.819 -0.000 -44.261) 45.564 17.729 ( -5.668 0.000 0.515) 5.692 18.102 ( 7.988 -0.000 -8.996) 12.031 21.004 ( 16.456 -0.000 13.090) 21.027 21.292 ( 9.398 -0.000 8.563) 12.714 22.211 ( 10.126 -0.000 0.366) 10.132 22.457 ( 14.892 -0.000 -1.020) 14.927 23.023 ( -13.520 0.000 22.056) 25.870 24.262 ( -13.294 0.000 -9.951) 16.606 24.633 ( 0.413 -0.000 13.106) 13.113 24.852 ( -24.613 0.000 4.769) 25.071 27.012 ( 2.867 -0.000 -4.790) 5.583 27.081 ( 11.095 -0.000 -10.078) 14.988 30.454 ( -15.596 0.000 1.671) 15.685 31.076 ( -11.081 0.000 -19.570) 22.490 33.310 ( -7.410 0.000 33.191) 34.008 34.010 ( -2.642 0.000 22.044) 22.201 35.561 ( -2.475 0.000 -11.895) 12.150 36.303 ( 5.349 -0.000 -24.324) 24.905 41.234 ( -5.627 0.000 29.437) 29.970 42.638 ( -1.992 0.000 -16.995) 17.111 ======================= Grid point 554 (168/245) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 4.176 -0.614 -0.732) 4.284 1.922 ( 8.179 -1.619 -7.671) 11.330 2.176 ( 1.597 0.454 -0.277) 1.683 2.352 ( -4.201 -0.195 -4.884) 6.446 2.790 ( 5.658 -0.765 -4.279) 7.135 3.127 ( 1.510 0.545 -11.517) 11.629 5.997 ( 7.924 -0.205 12.718) 14.986 6.209 ( 17.012 0.004 10.149) 19.809 6.750 ( 12.844 0.591 -2.905) 13.182 6.772 ( 7.564 -1.333 29.172) 30.166 7.033 ( 8.113 -0.148 -15.206) 17.236 8.152 ( 10.092 -0.477 -8.475) 13.187 11.519 ( -26.390 0.021 17.336) 31.574 11.623 ( 6.649 -3.967 46.769) 47.405 12.642 ( -14.084 0.778 18.374) 23.164 15.880 ( 12.434 -2.472 -45.581) 47.311 17.652 ( -2.936 -0.296 4.528) 5.405 18.275 ( 8.794 -1.385 -9.513) 13.029 21.275 ( 12.694 2.860 9.207) 15.940 21.442 ( 5.525 -0.316 3.431) 6.512 22.298 ( 0.363 1.107 1.481) 1.884 22.562 ( -6.130 -0.821 -5.931) 8.569 22.981 ( 12.975 0.921 20.110) 23.950 24.039 ( -10.630 2.411 -13.676) 17.489 24.423 ( -19.094 0.126 16.968) 25.544 24.578 ( -6.751 -0.785 10.140) 12.207 27.082 ( 3.833 -2.274 -3.771) 5.838 27.266 ( 8.627 -0.020 -11.031) 14.004 30.182 ( -12.877 0.388 0.657) 12.899 30.876 ( -9.574 0.854 -21.742) 23.772 33.207 ( -3.603 -0.069 32.542) 32.741 33.970 ( -1.793 -0.419 22.359) 22.435 35.519 ( -1.856 -0.005 -10.940) 11.096 36.396 ( 4.288 -0.668 -25.688) 26.052 41.146 ( -3.688 0.309 30.092) 30.318 42.604 ( -1.520 -0.041 -17.618) 17.683 ======================= Grid point 555 (169/245) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 2.633 -0.726 -4.345) 5.132 2.052 ( 4.751 -0.722 -10.949) 11.957 2.203 ( 2.241 2.217 -0.888) 3.275 2.302 ( -1.828 -1.318 -4.171) 4.741 2.880 ( 2.988 -1.541 -4.744) 5.815 3.131 ( -0.606 0.926 -12.857) 12.905 6.101 ( 2.752 -0.331 13.117) 13.406 6.453 ( 7.478 0.078 8.381) 11.232 6.840 ( 2.018 0.107 32.709) 32.772 6.949 ( 5.848 -0.725 -7.160) 9.273 7.140 ( 3.113 -0.066 -13.624) 13.975 8.296 ( 4.610 -0.310 -10.418) 11.397 11.180 ( -8.869 -0.411 23.801) 25.403 11.825 ( 11.702 -4.540 25.622) 28.532 12.413 ( -8.909 2.548 42.153) 43.160 16.114 ( 10.605 -1.360 -47.387) 48.578 17.619 ( -0.754 -0.487 8.489) 8.536 18.410 ( 4.163 -1.861 -8.140) 9.331 21.400 ( -1.261 4.235 2.683) 5.170 21.475 ( 0.573 -1.440 3.091) 3.458 22.302 ( 3.104 0.724 0.926) 3.319 22.420 ( -6.729 -0.639 -3.925) 7.816 23.343 ( 23.915 1.508 12.493) 27.023 23.709 ( -24.381 -0.640 1.089) 24.414 24.265 ( 1.318 3.647 11.816) 12.436 24.408 ( -10.469 -2.479 6.815) 12.735 27.167 ( 2.951 -3.704 -3.301) 5.773 27.403 ( 6.555 1.925 -11.862) 13.689 29.993 ( -6.787 -0.147 0.295) 6.795 30.730 ( -4.949 1.135 -22.378) 22.947 33.171 ( -0.466 -0.090 31.579) 31.582 33.951 ( -0.324 -0.309 23.135) 23.140 35.494 ( -0.791 -0.067 -10.373) 10.404 36.466 ( 2.841 -0.398 -26.626) 26.780 41.094 ( -1.757 0.181 30.379) 30.431 42.585 ( -0.520 -0.026 -18.076) 18.083 ======================= Grid point 556 (170/245) ======================= q-point: (-0.62 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 1.534 -0.119 -5.345) 5.562 2.112 ( 3.197 2.809 -5.770) 7.170 2.229 ( 0.563 2.698 -4.968) 5.681 2.294 ( 0.457 -2.087 -3.247) 3.887 2.911 ( -0.817 -1.580 -5.092) 5.393 3.096 ( -2.540 0.554 -13.253) 13.506 6.100 ( -2.953 -0.483 13.092) 13.430 6.442 ( -8.184 -0.255 8.944) 12.126 6.867 ( 0.635 1.107 30.864) 30.891 6.966 ( -4.358 -0.435 -5.464) 7.003 7.147 ( -2.291 0.140 -14.958) 15.133 8.317 ( -2.400 0.276 -11.153) 11.412 11.208 ( 11.706 0.347 24.384) 27.050 12.067 ( 9.368 -0.822 -8.071) 12.392 12.317 ( 3.085 3.020 76.952) 77.073 16.264 ( 5.647 3.342 -48.214) 48.658 17.632 ( 1.921 -0.308 9.912) 10.101 18.445 ( -1.299 -1.641 -7.641) 7.922 21.207 ( -14.819 -2.397 5.292) 15.917 21.489 ( -1.466 0.392 1.535) 2.159 22.323 ( -2.213 1.697 -1.446) 3.142 22.445 ( 10.073 0.177 -4.273) 10.943 23.213 ( -27.136 -2.307 13.209) 30.268 23.812 ( 22.814 2.133 1.097) 22.940 24.135 ( -8.075 -0.508 11.939) 14.422 24.438 ( 8.168 -1.081 7.581) 11.196 27.214 ( -0.592 -3.072 -3.059) 4.375 27.484 ( 4.256 5.014 -12.786) 14.379 29.950 ( 1.911 -1.714 0.628) 2.643 30.694 ( 1.754 0.363 -21.639) 21.713 33.185 ( 1.844 0.333 30.998) 31.055 33.964 ( 1.596 -0.010 24.083) 24.135 35.492 ( 0.524 -0.159 -10.488) 10.503 36.503 ( 1.144 0.699 -26.962) 26.995 41.079 ( 0.115 -0.258 30.526) 30.527 42.586 ( 0.713 0.024 -18.357) 18.370 ======================= Grid point 557 (171/245) ======================= q-point: (-0.54 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 0.816 2.920 -2.212) 3.752 2.163 ( 2.853 3.610 -4.486) 6.426 2.176 ( -2.041 4.532 0.141) 4.973 2.333 ( 1.537 -2.285 -3.575) 4.512 2.863 ( -4.681 0.133 -5.573) 7.279 3.046 ( -2.516 -1.242 -13.233) 13.527 6.004 ( -7.308 -0.374 12.829) 14.769 6.206 ( -15.886 -0.132 10.293) 18.930 6.774 ( -12.031 1.153 -2.686) 12.381 6.839 ( -7.159 0.511 29.718) 30.572 7.058 ( -6.776 0.616 -18.151) 19.384 8.213 ( -7.837 1.153 -10.247) 12.952 11.587 ( 28.494 1.669 18.471) 33.998 12.111 ( 1.870 9.422 29.933) 31.436 12.541 ( 16.807 -1.350 38.945) 42.438 16.282 ( 0.545 9.941 -46.991) 48.034 17.694 ( 4.784 0.859 7.930) 9.301 18.392 ( -4.535 -0.030 -8.273) 9.435 20.939 ( -15.977 -7.062 10.972) 20.628 21.403 ( -7.766 -0.451 0.053) 7.780 22.262 ( -4.626 1.463 3.252) 5.840 22.603 ( -4.346 -0.448 -10.529) 11.399 22.816 ( -6.510 -4.336 22.592) 23.908 23.852 ( -5.149 -1.452 -9.374) 10.793 24.412 ( 25.358 0.124 14.499) 29.211 24.591 ( 7.246 -1.333 10.194) 12.577 27.159 ( -6.995 -1.346 -2.984) 7.723 27.507 ( 2.455 8.062 -14.164) 16.481 30.083 ( 10.565 -3.184 1.580) 11.147 30.792 ( 8.366 -0.898 -19.625) 21.353 33.233 ( 3.558 0.867 31.153) 31.368 34.011 ( 3.610 0.481 24.901) 25.166 35.515 ( 1.818 -0.180 -11.440) 11.585 36.499 ( -0.720 2.354 -26.567) 26.680 41.101 ( 1.772 -1.015 30.546) 30.614 42.610 ( 1.766 0.116 -18.487) 18.571 ======================= Grid point 558 (172/245) ======================= q-point: (-0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -2.121 6.440 3.094) 7.453 2.070 ( -2.098 9.237 -0.362) 9.480 2.215 ( 1.784 2.010 0.707) 2.779 2.377 ( 1.891 -3.652 1.277) 4.306 2.753 ( -5.625 2.200 -6.447) 8.834 3.020 ( -1.368 -1.753 -11.283) 11.500 5.844 ( -9.918 0.242 12.608) 16.043 5.883 ( -18.018 0.422 10.913) 21.070 6.466 ( -19.416 0.660 -8.073) 21.038 6.662 ( -11.207 1.144 36.713) 38.403 6.899 ( -9.171 1.494 -19.301) 21.421 8.034 ( -9.648 2.261 -10.052) 14.115 12.049 ( 6.730 14.724 51.089) 53.593 12.252 ( 35.346 3.023 13.299) 37.886 12.859 ( 15.364 -1.434 13.716) 20.645 16.190 ( -1.877 16.004 -45.071) 47.865 17.800 ( 7.788 2.610 3.990) 9.132 18.289 ( -5.098 3.506 -8.187) 10.262 20.707 ( -13.606 -8.809 14.105) 21.487 21.214 ( -12.815 -1.886 1.691) 13.063 22.083 ( -14.878 -1.446 8.205) 17.052 22.287 ( -21.154 -7.140 5.681) 23.038 23.013 ( 15.191 -0.130 10.197) 18.296 23.906 ( 8.742 -7.115 -10.889) 15.673 24.625 ( 0.606 -0.269 16.327) 16.340 24.923 ( 23.976 0.400 6.871) 24.944 26.967 ( -13.803 -0.079 -2.685) 14.062 27.495 ( 2.115 10.112 -16.360) 19.349 30.356 ( 15.776 -3.465 2.950) 16.419 30.997 ( 12.187 -1.555 -16.732) 20.758 33.306 ( 4.894 0.839 32.042) 32.424 34.090 ( 5.249 1.279 25.449) 26.016 35.560 ( 2.820 -0.018 -13.195) 13.493 36.450 ( -2.540 4.204 -25.436) 25.906 41.156 ( 3.132 -2.190 30.313) 30.553 42.648 ( 2.321 0.264 -18.489) 18.636 ======================= Grid point 559 (173/245) ======================= q-point: (-0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -4.391 8.907 8.875) 13.318 1.999 ( 0.066 12.662 4.907) 13.580 2.208 ( -0.567 1.739 -0.938) 2.056 2.435 ( -0.274 -6.217 6.854) 9.258 2.665 ( -0.337 4.050 -5.502) 6.840 3.002 ( -1.446 0.429 -5.842) 6.034 5.515 ( -20.071 1.382 10.732) 22.802 5.665 ( -9.451 1.056 12.211) 15.477 6.064 ( -22.870 0.350 -6.927) 23.898 6.438 ( -11.365 0.614 35.653) 37.425 6.722 ( -7.767 2.926 -17.556) 19.419 7.851 ( -7.851 3.229 -11.315) 14.146 12.017 ( 2.860 19.724 68.879) 71.705 12.990 ( 39.206 1.803 -2.308) 39.315 13.102 ( 11.226 -1.234 3.920) 11.955 16.047 ( -2.032 20.238 -44.400) 48.837 17.961 ( 11.531 4.091 -0.359) 12.241 18.189 ( -1.512 5.913 -5.625) 8.300 20.537 ( -9.415 -6.967 13.893) 18.172 20.969 ( -14.449 -4.192 5.263) 15.939 21.764 ( -20.368 -5.952 8.058) 22.699 21.939 ( -21.531 -8.961 7.302) 24.438 23.304 ( 15.376 0.510 17.115) 23.013 24.196 ( 14.674 -8.695 -9.009) 19.289 24.585 ( -4.276 -1.061 16.530) 17.107 25.333 ( 20.096 0.314 2.880) 20.304 26.660 ( -18.871 -0.438 -1.117) 18.909 27.482 ( 3.452 11.866 -19.123) 22.768 30.679 ( 16.282 -2.639 4.271) 17.038 31.235 ( 11.806 -1.011 -13.419) 17.902 33.405 ( 5.822 -0.512 33.244) 33.753 34.186 ( 6.034 2.419 25.682) 26.492 35.617 ( 3.329 0.387 -15.479) 15.838 36.360 ( -3.860 5.865 -23.709) 24.727 41.242 ( 4.256 -3.988 29.523) 30.094 42.690 ( 2.306 0.473 -18.375) 18.526 ======================= Grid point 560 (174/245) ======================= q-point: (-0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -0.009 9.075 13.866) 16.571 1.909 ( -0.658 15.426 10.905) 18.902 2.196 ( 0.158 0.607 -2.317) 2.400 2.401 ( -5.027 -3.201 2.561) 6.487 2.719 ( 6.068 1.433 4.373) 7.615 2.951 ( -2.772 3.698 3.070) 5.548 5.126 ( -19.856 1.973 9.608) 22.147 5.485 ( -9.533 1.743 8.944) 13.188 5.643 ( -20.340 0.654 -3.347) 20.624 6.261 ( -7.336 -1.349 28.109) 29.082 6.597 ( -2.853 5.086 -11.184) 12.613 7.715 ( -4.486 3.644 -12.948) 14.179 11.943 ( 1.934 21.560 75.189) 78.243 13.152 ( -2.353 -1.488 6.030) 6.642 13.747 ( 37.093 1.868 -11.140) 38.774 15.885 ( -2.376 22.502 -45.117) 50.473 18.102 ( 4.312 4.918 -1.312) 6.671 18.285 ( 16.870 3.063 -5.565) 18.026 20.448 ( -2.482 -3.168 11.245) 11.944 20.755 ( -11.347 -7.141 7.459) 15.342 21.414 ( -21.198 -7.828 7.117) 23.692 21.583 ( -22.239 -9.326 7.602) 25.285 23.543 ( 9.951 1.531 28.965) 30.665 24.388 ( -1.671 -1.775 10.258) 10.544 24.592 ( 7.206 -4.610 -3.384) 9.199 25.674 ( 15.754 -2.438 -3.314) 16.282 26.293 ( -20.454 -2.848 4.409) 21.116 27.489 ( 5.067 14.057 -21.745) 26.384 30.967 ( 12.813 -1.334 5.133) 13.868 31.425 ( 8.017 0.515 -9.785) 12.660 33.527 ( 5.789 -3.481 33.973) 34.638 34.279 ( 5.549 3.797 25.494) 26.366 35.675 ( 3.168 1.016 -17.744) 18.053 36.247 ( -4.011 6.955 -21.686) 23.124 41.359 ( 5.004 -6.577 27.610) 28.820 42.725 ( 1.855 0.737 -18.168) 18.277 ======================= Grid point 561 (175/245) ======================= q-point: (-0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.096 13.972 12.941) 19.045 1.853 ( 3.772 9.046 17.866) 20.377 2.206 ( 1.321 0.591 -2.365) 2.772 2.325 ( -3.970 -0.527 -0.042) 4.005 2.772 ( -2.127 3.172 14.787) 15.272 2.905 ( 2.590 3.104 10.603) 11.348 4.794 ( -13.211 1.867 7.336) 15.225 5.238 ( -13.734 -0.246 -5.628) 14.845 5.400 ( -5.524 3.791 10.519) 12.471 6.182 ( -2.989 -3.681 13.465) 14.276 6.558 ( 1.652 6.376 -1.611) 6.781 7.639 ( -1.665 3.690 -13.975) 14.550 11.850 ( 1.175 20.804 76.702) 79.482 13.043 ( -7.723 0.730 19.808) 21.273 14.310 ( 22.649 0.963 -17.172) 28.439 15.707 ( -2.483 22.601 -45.600) 50.954 18.148 ( 2.481 0.446 1.645) 3.010 18.654 ( 20.658 0.339 -13.351) 24.599 20.518 ( 9.269 -1.541 7.450) 11.991 20.644 ( -4.532 -6.640 4.932) 9.431 21.074 ( -19.194 -8.150 10.411) 23.307 21.214 ( -22.282 -7.226 8.319) 24.858 23.646 ( 2.764 2.617 40.791) 40.968 24.317 ( -3.633 0.193 10.499) 11.112 24.747 ( 5.323 -1.340 -7.473) 9.272 25.863 ( -2.620 6.462 -23.978) 24.971 26.047 ( -3.070 -17.697 26.559) 32.063 27.494 ( 4.196 16.700 -22.888) 28.642 31.157 ( 6.842 -0.237 5.463) 8.758 31.523 ( 3.390 2.003 -6.232) 7.372 33.650 ( 3.868 -7.136 33.658) 34.623 34.340 ( 3.479 5.352 24.807) 25.615 35.717 ( 2.027 1.727 -19.180) 19.364 36.143 ( -2.555 7.113 -19.945) 21.329 41.495 ( 4.193 -9.446 24.147) 26.266 42.748 ( 1.070 1.051 -17.840) 17.903 ======================= Grid point 562 (176/245) ======================= q-point: (-0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 0.000 17.260 14.734) 22.693 1.885 ( 0.000 2.772 17.709) 17.925 2.225 ( 0.000 3.110 -4.720) 5.652 2.274 ( -0.000 -1.138 1.650) 2.004 2.695 ( 0.000 5.449 22.720) 23.365 2.940 ( 0.000 0.539 12.006) 12.018 4.655 ( 0.000 1.514 5.941) 6.131 5.100 ( -0.000 -0.341 -7.437) 7.445 5.327 ( 0.000 4.300 11.422) 12.204 6.178 ( -0.000 -4.012 3.263) 5.171 6.548 ( 0.000 5.854 3.913) 7.041 7.604 ( 0.000 3.670 -14.164) 14.632 11.750 ( 0.000 18.190 76.000) 78.146 12.943 ( 0.000 2.128 29.709) 29.785 14.527 ( 0.000 0.520 -18.726) 18.733 15.556 ( 0.000 20.830 -45.701) 50.224 18.178 ( -0.000 -2.161 2.562) 3.352 18.895 ( -0.000 -2.137 -19.480) 19.597 20.638 ( -0.000 -1.776 -3.089) 3.563 20.749 ( 0.000 0.964 -6.936) 7.003 20.875 ( -0.000 -10.574 22.419) 24.787 20.936 ( -0.000 -6.608 18.302) 19.459 23.650 ( 0.000 2.539 45.411) 45.482 24.278 ( 0.000 0.778 8.664) 8.699 24.798 ( -0.000 -0.015 -7.481) 7.481 25.740 ( 0.000 5.255 -13.345) 14.343 26.181 ( -0.000 -19.747 15.564) 25.143 27.434 ( 0.000 19.025 -21.042) 28.368 31.221 ( 0.000 0.115 5.397) 5.399 31.539 ( 0.000 2.362 -4.451) 5.039 33.738 ( -0.000 -9.833 32.519) 33.973 34.338 ( 0.000 7.170 23.895) 24.947 35.726 ( 0.000 2.099 -18.774) 18.891 36.080 ( 0.000 6.297 -19.295) 20.297 41.598 ( -0.000 -10.448 20.755) 23.237 42.752 ( 0.000 1.290 -17.167) 17.215 ======================= Grid point 567 (177/245) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 2.667 -0.000 -4.139) 4.924 2.048 ( 5.890 -0.000 -11.196) 12.651 2.219 ( 2.379 -0.000 -0.753) 2.496 2.292 ( -2.149 0.000 -4.301) 4.808 2.870 ( 2.976 -0.000 -4.662) 5.531 3.137 ( -0.680 0.000 -12.938) 12.956 6.099 ( 2.734 -0.000 13.128) 13.409 6.453 ( 7.405 -0.000 8.338) 11.151 6.841 ( 2.184 -0.000 33.943) 34.013 6.944 ( 6.032 -0.000 -8.458) 10.389 7.139 ( 3.168 -0.000 -13.478) 13.845 8.294 ( 4.782 -0.000 -10.355) 11.406 11.178 ( -8.705 0.000 23.722) 25.269 11.798 ( 12.453 -0.000 26.872) 29.617 12.428 ( -8.549 0.000 40.844) 41.729 16.106 ( 11.765 -0.000 -47.422) 48.860 17.616 ( -0.734 0.000 8.321) 8.353 18.399 ( 4.326 -0.000 -8.087) 9.172 21.433 ( -7.490 0.000 0.935) 7.549 21.458 ( 5.633 -0.000 4.843) 7.428 22.307 ( 3.120 -0.000 0.974) 3.269 22.416 ( -6.362 0.000 -3.731) 7.376 23.352 ( 23.999 -0.000 12.554) 27.084 23.706 ( -25.348 0.000 1.127) 25.373 24.290 ( 3.562 -0.000 11.013) 11.575 24.390 ( -12.867 0.000 7.373) 14.829 27.145 ( 3.388 -0.000 -2.723) 4.347 27.414 ( 7.076 -0.000 -12.479) 14.346 29.992 ( -7.149 0.000 0.452) 7.163 30.737 ( -5.162 0.000 -22.552) 23.136 33.171 ( -0.384 0.000 31.600) 31.602 33.949 ( -0.215 0.000 23.088) 23.089 35.494 ( -0.814 0.000 -10.329) 10.361 36.464 ( 3.124 -0.000 -26.618) 26.801 41.095 ( -1.874 0.000 30.369) 30.427 42.585 ( -0.506 0.000 -18.056) 18.063 ======================= Grid point 568 (178/245) ======================= q-point: ( 0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 2.235 -0.122 -4.942) 5.425 2.141 ( 4.432 1.684 -6.756) 8.253 2.252 ( 1.393 1.169 -4.830) 5.161 2.271 ( -0.529 -1.393 -2.601) 2.998 2.896 ( -0.559 -0.788 -5.111) 5.201 3.101 ( -2.920 0.300 -13.430) 13.747 6.096 ( -2.970 -0.221 13.112) 13.446 6.440 ( -8.232 -0.098 9.006) 12.202 6.877 ( 1.145 0.513 33.282) 33.306 6.961 ( -4.387 -0.278 -8.045) 9.168 7.148 ( -2.180 0.052 -15.038) 15.195 8.319 ( -2.129 0.092 -11.231) 11.432 11.211 ( 12.115 0.110 24.406) 27.247 12.055 ( 12.871 -0.774 -4.228) 13.570 12.346 ( 1.610 1.538 73.288) 73.321 16.292 ( 7.940 1.298 -48.580) 49.241 17.629 ( 2.173 -0.167 9.963) 10.199 18.430 ( -1.057 -0.836 -7.346) 7.468 21.188 ( -16.859 -0.812 5.751) 17.831 21.493 ( -1.606 0.195 1.353) 2.109 22.338 ( -2.257 0.834 -2.405) 3.401 22.445 ( 10.727 -0.018 -3.551) 11.300 23.195 ( -28.232 -0.847 13.426) 31.273 23.828 ( 24.340 0.719 1.901) 24.424 24.133 ( -11.078 0.056 10.055) 14.962 24.427 ( 8.697 -0.549 8.613) 12.253 27.189 ( 0.320 -1.141 -2.016) 2.339 27.524 ( 5.128 1.822 -14.137) 15.148 29.935 ( 1.279 -0.709 1.077) 1.816 30.697 ( 1.277 0.219 -21.795) 21.834 33.188 ( 2.060 0.130 30.878) 30.946 33.963 ( 1.736 -0.025 24.252) 24.314 35.491 ( 0.502 -0.069 -10.433) 10.446 36.509 ( 1.674 0.258 -27.037) 27.090 41.077 ( -0.105 -0.093 30.546) 30.546 42.587 ( 0.738 0.008 -18.394) 18.409 ======================= Grid point 569 (179/245) ======================= q-point: (-0.62 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 2.453 1.479 -1.607) 3.285 2.197 ( 3.449 3.152 0.081) 4.673 2.231 ( -1.724 3.900 -3.970) 5.826 2.301 ( 1.194 -3.270 -3.877) 5.211 2.858 ( -3.815 -0.630 -5.593) 6.799 3.038 ( -3.205 -0.281 -13.929) 14.296 6.000 ( -7.175 -0.334 12.916) 14.779 6.205 ( -15.704 -0.088 10.308) 18.785 6.785 ( -12.933 0.770 -6.490) 14.490 6.842 ( -6.162 0.109 33.411) 33.975 7.064 ( -6.493 0.350 -18.483) 19.594 8.223 ( -7.476 0.603 -10.566) 12.957 11.602 ( 29.138 0.903 18.488) 34.520 12.191 ( 4.214 4.515 19.882) 20.819 12.533 ( 16.526 -0.063 49.841) 52.510 16.374 ( 3.142 5.925 -47.702) 48.171 17.701 ( 5.618 0.479 8.309) 10.041 18.385 ( -3.726 -0.885 -7.521) 8.440 20.875 ( -17.144 -3.956 11.775) 21.171 21.402 ( -7.992 0.127 -0.887) 8.042 22.280 ( -4.818 1.516 2.193) 5.507 22.595 ( -10.851 -0.813 -8.675) 13.916 22.776 ( -1.781 -2.529 22.173) 22.388 23.843 ( -7.658 -0.399 -9.109) 11.907 24.414 ( 27.262 0.297 12.932) 30.175 24.576 ( 6.298 -1.134 11.536) 13.192 27.146 ( -6.049 -0.857 -1.673) 6.334 27.581 ( 3.010 4.583 -16.197) 17.100 30.053 ( 10.271 -2.014 2.314) 10.719 30.785 ( 7.985 -0.297 -19.576) 21.144 33.241 ( 3.735 0.553 30.750) 30.981 34.015 ( 3.796 0.173 25.522) 25.803 35.514 ( 1.859 -0.118 -11.399) 11.550 36.520 ( -0.031 1.331 -26.802) 26.835 41.091 ( 1.403 -0.568 30.636) 30.673 42.611 ( 1.812 0.063 -18.661) 18.749 ======================= Grid point 570 (180/245) ======================= q-point: (-0.54 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.283 5.665 3.755) 6.803 2.161 ( -1.530 6.404 -1.365) 6.724 2.237 ( 1.800 1.853 1.337) 2.909 2.332 ( 0.200 -3.963 2.031) 4.457 2.772 ( -4.654 1.097 -6.129) 7.774 3.004 ( -0.693 -0.979 -12.855) 12.910 5.845 ( -9.389 -0.033 12.896) 15.952 5.886 ( -17.921 0.196 10.858) 20.955 6.473 ( -19.609 0.463 -8.092) 21.218 6.672 ( -11.353 0.648 36.045) 37.796 6.913 ( -8.726 1.014 -19.024) 20.954 8.055 ( -9.255 1.444 -10.564) 14.119 12.190 ( 16.933 9.359 36.956) 41.714 12.284 ( 27.079 2.538 22.954) 35.590 12.847 ( 15.429 -0.598 20.143) 25.380 16.351 ( 0.058 11.618 -45.583) 47.040 17.828 ( 8.814 2.265 4.419) 10.116 18.315 ( -3.576 1.086 -7.242) 8.150 20.618 ( -13.340 -6.488 14.907) 21.030 21.201 ( -13.198 -0.358 -0.595) 13.216 22.078 ( -17.269 0.461 9.384) 19.659 22.206 ( -22.527 -6.818 8.459) 25.010 23.012 ( 15.889 -0.131 7.572) 17.601 23.842 ( 7.037 -4.114 -11.392) 14.008 24.623 ( 0.062 -0.204 16.936) 16.937 24.925 ( 24.708 -0.050 7.494) 25.820 26.967 ( -13.287 0.029 -1.529) 13.375 27.593 ( 2.202 6.878 -18.818) 20.156 30.319 ( 16.102 -2.684 3.805) 16.762 30.983 ( 12.298 -0.822 -16.352) 20.477 33.317 ( 4.787 0.894 31.380) 31.755 34.100 ( 5.462 0.560 26.633) 27.193 35.560 ( 2.985 -0.006 -13.241) 13.574 36.491 ( -1.810 2.944 -25.873) 26.102 41.134 ( 2.507 -1.512 30.538) 30.678 42.650 ( 2.396 0.177 -18.898) 19.050 ======================= Grid point 571 (181/245) ======================= q-point: (-0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -3.445 9.380 8.090) 12.857 2.125 ( 1.444 9.027 3.193) 9.684 2.226 ( -1.433 1.357 0.184) 1.982 2.361 ( -1.022 -6.551 7.659) 10.130 2.706 ( -0.152 3.022 -4.348) 5.297 3.010 ( 0.612 0.906 -7.583) 7.661 5.529 ( -19.607 1.106 10.556) 22.295 5.672 ( -9.245 0.262 12.619) 15.645 6.068 ( -23.009 0.307 -6.730) 23.975 6.443 ( -12.036 0.337 34.233) 36.289 6.751 ( -7.037 2.073 -16.286) 17.862 7.883 ( -7.670 2.330 -11.884) 14.335 12.225 ( 4.188 15.957 66.786) 68.793 13.009 ( 35.666 1.526 -1.047) 35.714 13.090 ( 14.587 -0.884 8.177) 16.746 16.259 ( -1.115 16.205 -44.205) 47.094 18.008 ( 12.486 4.008 -0.401) 13.120 18.249 ( -1.329 4.336 -5.350) 7.013 20.458 ( -7.829 -6.564 14.678) 17.884 20.935 ( -15.214 -1.696 2.554) 15.520 21.700 ( -22.548 -5.286 10.859) 25.579 21.838 ( -22.390 -8.131 9.061) 25.486 23.311 ( 15.744 0.582 13.886) 21.000 24.109 ( 16.071 -6.357 -10.809) 20.384 24.572 ( -5.074 -1.014 18.752) 19.453 25.335 ( 19.129 0.070 5.376) 19.870 26.663 ( -18.611 0.766 -0.875) 18.647 27.599 ( 3.396 8.466 -21.825) 23.654 30.650 ( 17.013 -2.304 5.078) 17.904 31.226 ( 12.497 -0.606 -12.837) 17.926 33.407 ( 5.229 0.573 32.628) 33.050 34.206 ( 6.150 1.051 27.413) 28.114 35.622 ( 3.642 0.363 -15.757) 16.176 36.421 ( -3.211 4.735 -24.370) 25.032 41.201 ( 3.225 -3.108 30.051) 30.383 42.694 ( 2.399 0.347 -19.123) 19.276 ======================= Grid point 572 (182/245) ======================= q-point: (-0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 0.005 9.668 12.650) 15.922 2.069 ( -1.233 11.935 8.162) 14.512 2.204 ( 0.028 0.846 -1.502) 1.724 2.348 ( -3.766 -5.864 5.152) 8.667 2.745 ( 5.338 2.830 3.801) 7.138 2.998 ( -0.388 4.545 1.510) 4.805 5.149 ( -19.637 1.899 9.217) 21.776 5.498 ( -10.274 0.497 8.159) 13.130 5.650 ( -19.371 0.549 -1.814) 19.464 6.247 ( -8.639 -1.001 27.570) 28.909 6.648 ( -2.053 3.707 -10.023) 10.882 7.753 ( -4.600 2.829 -13.479) 14.520 12.185 ( 2.619 20.033 75.088) 77.759 13.138 ( -1.411 -0.871 9.574) 9.717 13.767 ( 36.591 1.583 -10.604) 38.130 16.127 ( -2.191 19.241 -44.403) 48.442 18.170 ( 3.587 6.756 -2.465) 8.036 18.317 ( 15.423 2.379 -5.652) 16.598 20.403 ( -1.292 -4.761 12.600) 13.531 20.689 ( -11.904 -3.994 6.128) 13.971 21.323 ( -21.800 -7.834 8.806) 24.782 21.471 ( -22.230 -9.946 8.861) 25.916 23.561 ( 10.783 1.486 25.946) 28.137 24.373 ( 2.342 -0.871 7.111) 7.537 24.536 ( 6.088 -5.118 -0.023) 7.953 25.641 ( 13.008 -3.019 5.251) 14.349 26.290 ( -19.734 1.622 0.239) 19.801 27.627 ( 5.089 9.983 -24.957) 27.357 30.952 ( 13.625 -1.245 5.808) 14.864 31.431 ( 9.027 0.547 -9.409) 13.050 33.502 ( 4.832 -0.906 33.973) 34.327 34.309 ( 5.447 1.537 27.654) 28.227 35.687 ( 3.564 0.953 -18.438) 18.804 36.324 ( -3.561 6.322 -22.551) 23.689 41.289 ( 3.525 -5.539 28.865) 29.602 42.733 ( 1.941 0.538 -19.313) 19.418 ======================= Grid point 573 (183/245) ======================= q-point: (-0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 3.272 10.256 12.929) 16.824 1.968 ( -1.789 10.176 12.562) 16.265 2.213 ( 1.585 0.747 -0.355) 1.788 2.308 ( -2.965 -2.542 0.857) 3.999 2.814 ( 2.014 4.099 12.694) 13.491 2.959 ( 0.761 6.186 11.229) 12.843 4.817 ( -13.316 2.054 6.859) 15.119 5.235 ( -14.006 -0.398 -5.659) 15.111 5.437 ( -5.014 2.490 11.288) 12.600 6.142 ( -3.915 -3.129 17.044) 17.766 6.625 ( 1.613 5.112 -3.273) 6.280 7.678 ( -1.815 2.991 -14.476) 14.893 12.100 ( 1.269 22.086 77.848) 80.930 13.054 ( -6.073 1.049 20.792) 21.686 14.321 ( 22.229 0.985 -17.105) 28.066 15.962 ( -2.689 21.213 -45.089) 49.903 18.175 ( 1.310 4.309 1.024) 4.619 18.653 ( 17.888 -0.652 -13.707) 22.545 20.484 ( 7.379 -5.134 11.455) 14.561 20.575 ( -1.990 -4.635 5.805) 7.691 20.979 ( -19.499 -8.044 9.131) 22.985 21.124 ( -20.764 -8.434 7.710) 23.701 23.677 ( 3.241 2.768 39.562) 39.791 24.321 ( -2.999 0.493 10.474) 10.907 24.728 ( 7.266 -1.941 -8.278) 11.185 25.856 ( 4.487 -11.795 18.719) 22.576 25.957 ( -11.245 6.003 -10.401) 16.451 27.658 ( 4.304 11.980 -27.264) 30.089 31.155 ( 7.375 -0.157 6.012) 9.517 31.546 ( 4.125 2.037 -6.362) 7.852 33.591 ( 3.120 -3.364 34.703) 35.005 34.382 ( 3.293 2.175 27.176) 27.461 35.736 ( 2.342 1.563 -20.516) 20.709 36.227 ( -2.378 7.359 -20.823) 22.213 41.390 ( 2.807 -8.520 26.757) 28.221 42.758 ( 1.136 0.731 -19.354) 19.401 ======================= Grid point 574 (184/245) ======================= q-point: (-0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.000 15.952 11.132) 19.452 1.922 ( 0.000 3.626 16.018) 16.423 2.257 ( 0.000 2.191 -3.738) 4.333 2.258 ( -0.000 -1.685 2.641) 3.133 2.773 ( 0.000 7.981 20.494) 21.993 2.957 ( 0.000 2.872 13.279) 13.586 4.675 ( 0.000 1.868 5.459) 5.770 5.096 ( -0.000 -0.460 -7.151) 7.166 5.374 ( 0.000 3.602 11.913) 12.446 6.129 ( -0.000 -4.278 9.790) 10.684 6.616 ( 0.000 5.678 0.102) 5.679 7.644 ( 0.000 3.283 -14.687) 15.049 11.985 ( 0.000 22.136 77.632) 80.726 12.970 ( 0.000 2.579 28.866) 28.981 14.533 ( 0.000 0.627 -19.006) 19.016 15.808 ( 0.000 22.369 -45.613) 50.803 18.171 ( 0.000 1.350 2.470) 2.815 18.864 ( -0.000 -3.357 -19.152) 19.444 20.615 ( -0.000 -2.118 -1.874) 2.828 20.730 ( -0.000 -14.459 24.089) 28.096 20.761 ( 0.000 1.104 -6.822) 6.911 20.853 ( -0.000 -7.849 17.595) 19.266 23.683 ( 0.000 3.113 45.163) 45.270 24.288 ( 0.000 0.971 8.049) 8.108 24.798 ( -0.000 -0.024 -7.918) 7.918 25.793 ( 0.000 2.379 5.338) 5.844 25.993 ( -0.000 -11.485 3.514) 12.011 27.627 ( 0.000 14.476 -26.817) 30.475 31.223 ( 0.000 0.262 5.890) 5.896 31.569 ( 0.000 2.718 -4.844) 5.554 33.648 ( -0.000 -5.824 34.482) 34.971 34.398 ( 0.000 3.459 26.087) 26.315 35.749 ( 0.000 1.940 -20.985) 21.075 36.161 ( 0.000 7.615 -19.782) 21.197 41.476 ( -0.000 -10.492 24.495) 26.648 42.765 ( 0.000 0.950 -18.912) 18.936 ======================= Grid point 581 (185/245) ======================= q-point: (-0.69 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 3.140 -0.000 -1.317) 3.405 2.223 ( 3.007 -0.000 1.665) 3.437 2.262 ( -0.019 0.000 -1.185) 1.185 2.267 ( 0.011 -0.000 -8.255) 8.255 2.854 ( -3.477 0.000 -5.640) 6.625 3.037 ( -3.468 0.000 -14.155) 14.574 5.998 ( -7.126 0.000 12.953) 14.784 6.204 ( -15.642 0.000 10.312) 18.735 6.790 ( -13.446 0.000 -8.605) 15.964 6.843 ( -5.623 0.000 35.471) 35.913 7.066 ( -6.392 0.000 -18.588) 19.657 8.227 ( -7.353 0.000 -10.678) 12.965 11.608 ( 29.363 -0.000 18.496) 34.703 12.216 ( 5.300 -0.000 15.290) 16.183 12.534 ( 16.186 -0.000 54.729) 57.072 16.409 ( 4.082 -0.000 -48.017) 48.190 17.704 ( 5.979 -0.000 8.401) 10.311 18.379 ( -3.485 0.000 -7.173) 7.975 20.852 ( -17.601 0.000 12.107) 21.363 21.403 ( -8.009 0.000 -1.275) 8.110 22.290 ( -4.718 0.000 1.521) 4.957 22.589 ( -14.154 0.000 -7.035) 15.806 22.761 ( 0.643 -0.000 21.401) 21.411 23.841 ( -8.515 0.000 -9.018) 12.403 24.416 ( 28.151 -0.000 12.135) 30.655 24.569 ( 5.738 -0.000 12.235) 13.513 27.141 ( -5.696 0.000 -1.199) 5.821 27.608 ( 3.193 -0.000 -16.965) 17.262 30.041 ( 10.179 -0.000 2.631) 10.514 30.784 ( 7.837 -0.000 -19.588) 21.098 33.244 ( 3.812 -0.000 30.595) 30.831 34.016 ( 3.850 -0.000 25.755) 26.041 35.513 ( 1.878 -0.000 -11.374) 11.528 36.528 ( 0.213 -0.000 -26.889) 26.890 41.088 ( 1.271 -0.000 30.668) 30.695 42.611 ( 1.828 -0.000 -18.723) 18.812 ======================= Grid point 583 (186/245) ======================= q-point: (-0.62 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 2.928 2.609 4.556) 6.012 2.210 ( -2.743 2.045 -2.606) 4.301 2.257 ( 0.662 1.483 1.027) 1.921 2.293 ( 0.434 -2.514 3.360) 4.219 2.779 ( -3.951 0.226 -5.823) 7.041 2.998 ( -0.344 -0.246 -13.866) 13.873 5.844 ( -9.077 -0.058 13.093) 15.932 5.888 ( -17.912 0.056 10.828) 20.931 6.476 ( -19.718 0.166 -8.111) 21.322 6.677 ( -11.430 0.208 35.647) 37.435 6.921 ( -8.516 0.355 -18.839) 20.677 8.066 ( -9.057 0.491 -10.843) 14.137 12.256 ( 36.231 2.530 13.344) 38.693 12.309 ( 8.967 1.565 42.578) 43.540 12.844 ( 15.380 -0.075 25.175) 29.502 16.443 ( 0.999 4.272 -45.966) 46.175 17.848 ( 9.565 0.956 4.392) 10.568 18.319 ( -2.643 -0.001 -6.407) 6.931 20.566 ( -13.287 -2.390 15.542) 20.587 21.201 ( -13.215 0.155 -2.240) 13.405 22.094 ( -19.370 2.530 9.823) 21.865 22.138 ( -22.764 -4.929 10.476) 25.539 23.011 ( 16.312 -0.063 6.210) 17.454 23.811 ( 6.011 -1.315 -11.717) 13.234 24.621 ( -0.317 -0.075 17.266) 17.269 24.924 ( 25.217 -0.072 7.811) 26.399 26.968 ( -12.869 0.023 -0.877) 12.899 27.647 ( 2.108 2.435 -20.255) 20.510 30.298 ( 16.343 -1.014 4.396) 16.954 30.977 ( 12.325 -0.244 -16.223) 20.375 33.325 ( 4.810 0.380 30.947) 31.321 34.104 ( 5.511 0.135 27.342) 27.892 35.560 ( 3.090 -0.001 -13.218) 13.575 36.514 ( -1.413 1.055 -26.130) 26.189 41.122 ( 2.172 -0.538 30.660) 30.741 42.652 ( 2.434 0.062 -19.125) 19.279 ======================= Grid point 584 (187/245) ======================= q-point: (-0.54 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -2.256 9.156 7.231) 11.883 2.183 ( 0.954 -0.376 1.982) 2.231 2.239 ( -2.102 0.951 1.886) 2.980 2.302 ( -1.105 -2.596 7.693) 8.194 2.732 ( 0.175 1.463 -3.536) 3.831 3.020 ( 2.291 0.850 -8.847) 9.179 5.539 ( -19.262 0.611 10.446) 21.921 5.673 ( -9.215 -0.084 12.998) 15.933 6.070 ( -23.103 0.180 -6.602) 24.028 6.446 ( -12.413 0.152 33.469) 35.697 6.769 ( -6.687 1.028 -15.626) 17.028 7.903 ( -7.585 1.190 -12.276) 14.480 12.368 ( 5.044 8.715 63.898) 64.686 13.027 ( 35.068 1.778 0.750) 35.121 13.079 ( 15.217 -1.241 11.478) 19.101 16.405 ( -0.913 8.966 -43.992) 44.905 18.048 ( 13.067 2.708 -0.884) 13.374 18.285 ( -0.467 1.933 -4.845) 5.237 20.395 ( -7.013 -4.057 15.749) 17.711 20.928 ( -15.265 0.177 -0.211) 15.268 21.645 ( -24.736 -4.037 14.136) 28.775 21.766 ( -22.813 -4.271 9.560) 25.101 23.317 ( 16.012 0.369 11.749) 19.864 24.053 ( 16.745 -3.305 -11.983) 20.855 24.563 ( -5.589 -0.594 20.323) 21.086 25.335 ( 18.582 -0.007 6.802) 19.787 26.672 ( -18.036 0.730 -0.794) 18.068 27.673 ( 3.055 4.386 -23.625) 24.222 30.629 ( 17.602 -1.344 5.750) 18.566 31.221 ( 12.914 -0.252 -12.551) 18.010 33.415 ( 5.057 0.666 31.979) 32.383 34.213 ( 6.051 0.263 28.737) 29.368 35.625 ( 3.869 0.223 -15.781) 16.249 36.464 ( -2.783 2.623 -24.865) 25.158 41.173 ( 2.577 -1.683 30.384) 30.539 42.697 ( 2.447 0.181 -19.627) 19.780 ======================= Grid point 585 (188/245) ======================= q-point: (-0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -0.338 9.777 10.867) 14.622 2.164 ( -3.297 4.101 6.226) 8.152 2.218 ( 1.392 0.731 -0.842) 1.783 2.279 ( -3.122 -4.708 7.491) 9.382 2.777 ( 5.233 2.408 3.733) 6.864 3.049 ( 1.852 4.062 0.232) 4.470 5.168 ( -19.409 1.381 8.904) 21.398 5.499 ( -10.748 -0.193 8.044) 13.427 5.655 ( -18.962 0.247 -0.864) 18.984 6.238 ( -9.437 -0.546 27.626) 29.198 6.681 ( -1.640 2.091 -9.618) 9.979 7.779 ( -4.768 1.699 -13.910) 14.802 12.382 ( 3.252 13.817 73.984) 75.333 13.132 ( -0.773 -0.166 13.131) 13.155 13.782 ( 36.325 0.980 -10.283) 37.766 16.311 ( -2.532 12.556 -43.302) 45.157 18.247 ( 4.083 6.418 -3.776) 8.493 18.338 ( 13.919 1.143 -5.859) 15.145 20.345 ( -1.286 -4.885 15.235) 16.050 20.665 ( -11.863 -0.424 3.759) 12.451 21.241 ( -21.725 -6.219 10.525) 24.929 21.367 ( -22.653 -7.758 9.817) 25.879 23.576 ( 11.373 1.053 23.440) 26.075 24.369 ( 7.793 0.267 1.698) 7.980 24.480 ( 2.727 -4.443 6.048) 7.985 25.611 ( 10.355 -2.051 10.519) 14.902 26.316 ( -18.089 2.436 -2.705) 18.451 27.717 ( 4.726 5.831 -26.996) 28.020 30.939 ( 14.347 -0.877 6.413) 15.740 31.437 ( 9.776 0.435 -9.188) 13.423 33.501 ( 4.428 0.426 33.418) 33.712 34.317 ( 5.117 0.191 29.592) 30.031 35.696 ( 3.848 0.693 -18.539) 18.947 36.386 ( -3.219 4.341 -23.342) 23.960 41.236 ( 2.534 -3.598 29.689) 30.014 42.738 ( 1.964 0.314 -20.162) 20.260 ======================= Grid point 586 (189/245) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 3.469 8.696 12.365) 15.510 2.064 ( -4.023 6.204 8.282) 11.103 2.225 ( 0.306 1.215 2.088) 2.435 2.267 ( -1.062 -4.525 1.860) 5.006 2.860 ( 4.395 3.851 11.398) 12.808 3.039 ( 0.900 7.443 10.628) 13.007 4.839 ( -13.426 1.777 6.408) 14.982 5.230 ( -14.108 -0.410 -5.445) 15.127 5.455 ( -4.826 0.809 11.971) 12.933 6.112 ( -4.698 -2.022 19.796) 20.447 6.672 ( 1.613 3.216 -4.335) 5.634 7.706 ( -2.050 1.899 -14.902) 15.162 12.333 ( 1.437 18.078 78.374) 80.445 13.066 ( -4.734 1.083 21.664) 22.202 14.332 ( 21.874 0.792 -17.076) 27.762 16.174 ( -3.095 15.430 -43.687) 46.435 18.243 ( 1.039 7.117 -0.405) 7.203 18.641 ( 15.292 -1.272 -13.770) 20.618 20.402 ( 3.431 -8.204 17.957) 20.038 20.542 ( -0.558 -1.664 5.024) 5.322 20.902 ( -17.852 -5.097 7.310) 19.953 21.028 ( -18.700 -8.152 7.034) 21.578 23.706 ( 3.715 2.253 38.331) 38.577 24.328 ( -2.742 0.660 10.712) 11.077 24.705 ( 9.550 -2.018 -8.866) 13.187 25.740 ( -0.059 -8.049 28.897) 29.997 26.031 ( -7.723 6.112 -17.381) 19.978 27.768 ( 4.109 7.330 -29.857) 31.017 31.153 ( 7.899 -0.070 6.516) 10.240 31.568 ( 4.773 1.641 -6.489) 8.221 33.570 ( 2.726 -0.598 34.655) 34.767 34.393 ( 2.950 0.100 29.579) 29.726 35.752 ( 2.539 1.217 -20.748) 20.939 36.304 ( -2.201 5.866 -21.898) 22.776 41.306 ( 1.844 -6.132 28.507) 29.217 42.765 ( 1.127 0.415 -20.523) 20.558 ======================= Grid point 587 (190/245) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 0.000 12.132 8.609) 14.877 1.966 ( 0.000 3.918 13.981) 14.519 2.236 ( -0.000 -2.118 3.971) 4.500 2.269 ( -0.000 -0.358 -2.386) 2.413 2.864 ( 0.000 7.387 17.011) 18.546 3.011 ( 0.000 6.522 14.758) 16.135 4.696 ( 0.000 1.811 4.930) 5.252 5.090 ( -0.000 -0.490 -6.828) 6.846 5.405 ( 0.000 1.752 12.434) 12.557 6.085 ( -0.000 -3.287 14.712) 15.074 6.673 ( 0.000 4.075 -2.132) 4.599 7.676 ( 0.000 2.227 -15.118) 15.281 12.235 ( 0.000 20.790 78.905) 81.598 13.000 ( 0.000 2.442 27.961) 28.067 14.540 ( 0.000 0.591 -19.301) 19.310 16.044 ( 0.000 18.285 -44.437) 48.052 18.214 ( 0.000 5.922 1.313) 6.066 18.822 ( -0.000 -3.820 -18.315) 18.709 20.556 ( -0.000 -15.446 26.308) 30.507 20.591 ( -0.000 -1.998 -0.591) 2.083 20.763 ( -0.000 -7.627 16.725) 18.382 20.773 ( 0.000 1.008 -6.704) 6.779 23.718 ( 0.000 2.945 44.912) 45.008 24.300 ( 0.000 0.945 7.415) 7.475 24.798 ( -0.000 -0.027 -8.381) 8.381 25.750 ( -0.000 -8.158 38.337) 39.196 25.961 ( 0.000 3.698 -25.386) 25.654 27.763 ( 0.000 9.404 -30.364) 31.787 31.226 ( 0.000 0.343 6.369) 6.379 31.599 ( 0.000 2.456 -5.220) 5.769 33.604 ( -0.000 -2.106 35.105) 35.168 34.420 ( 0.000 0.636 28.680) 28.687 35.769 ( 0.000 1.569 -21.629) 21.686 36.246 ( 0.000 6.938 -20.931) 22.051 41.367 ( -0.000 -8.296 27.201) 28.438 42.773 ( 0.000 0.544 -20.329) 20.336 ======================= Grid point 596 (191/245) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 1.986 -0.000 8.900) 9.119 2.135 ( -4.554 0.000 1.434) 4.775 2.245 ( -2.071 0.000 2.535) 3.273 2.296 ( 0.004 -0.000 5.818) 5.818 2.740 ( 0.339 -0.000 -3.270) 3.287 3.026 ( 2.937 -0.000 -9.292) 9.745 5.542 ( -19.135 0.000 10.409) 21.783 5.672 ( -9.225 0.000 13.155) 16.067 6.071 ( -23.137 0.000 -6.559) 24.048 6.446 ( -12.532 0.000 33.239) 35.523 6.775 ( -6.590 0.000 -15.434) 16.782 7.910 ( -7.563 0.000 -12.417) 14.538 12.418 ( 5.316 -0.000 62.363) 62.590 13.043 ( 42.429 -0.000 -0.870) 42.437 13.067 ( 7.915 -0.000 15.391) 17.307 16.457 ( -0.936 0.000 -43.904) 43.914 18.064 ( 13.249 -0.000 -1.226) 13.305 18.295 ( 0.022 -0.000 -4.533) 4.533 20.371 ( -6.783 0.000 16.248) 17.607 20.931 ( -15.157 0.000 -1.538) 15.235 21.619 ( -25.621 0.000 15.872) 30.139 21.742 ( -23.002 0.000 9.454) 24.869 23.319 ( 16.113 -0.000 11.009) 19.515 24.035 ( 16.931 -0.000 -12.395) 20.983 24.559 ( -5.763 0.000 20.889) 21.669 25.335 ( 18.411 -0.000 7.254) 19.789 26.677 ( -17.772 0.000 -0.772) 17.789 27.698 ( 2.882 -0.000 -24.261) 24.432 30.621 ( 17.828 -0.000 6.013) 18.814 31.220 ( 13.052 -0.000 -12.472) 18.053 33.419 ( 5.039 -0.000 31.702) 32.100 34.214 ( 5.984 -0.000 29.237) 29.843 35.626 ( 3.952 -0.000 -15.760) 16.248 36.479 ( -2.635 0.000 -25.046) 25.184 41.164 ( 2.358 -0.000 30.497) 30.588 42.698 ( 2.462 -0.000 -19.804) 19.957 ======================= Grid point 598 (192/245) ======================= q-point: (-0.54 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -0.786 8.680 8.325) 12.053 2.157 ( -1.618 -6.768 9.189) 11.527 2.190 ( -2.359 -0.336 1.632) 2.889 2.281 ( -1.174 1.665 4.115) 4.592 2.796 ( 5.409 0.911 3.818) 6.683 3.083 ( 3.212 1.659 -0.520) 3.652 5.179 ( -19.257 0.508 8.728) 21.149 5.496 ( -10.905 -0.170 8.261) 13.682 5.656 ( -18.953 0.052 -0.503) 18.960 6.234 ( -9.798 -0.167 27.762) 29.441 6.696 ( -1.475 0.659 -9.527) 9.663 7.792 ( -4.885 0.556 -14.152) 14.982 12.490 ( 3.652 4.846 72.586) 72.839 13.132 ( -0.526 0.088 15.823) 15.832 13.789 ( 36.264 0.315 -10.187) 37.669 16.408 ( -2.926 4.320 -42.544) 42.863 18.306 ( 3.662 3.390 -3.753) 6.244 18.341 ( 14.190 -0.421 -6.978) 15.818 20.303 ( -1.673 -2.049 17.222) 17.424 20.668 ( -11.876 0.437 1.825) 12.024 21.189 ( -20.740 -2.542 12.096) 24.143 21.305 ( -23.630 -2.917 10.111) 25.868 23.584 ( 11.668 0.376 22.028) 24.930 24.376 ( 15.887 0.748 -7.727) 17.683 24.440 ( -4.298 -2.231 16.000) 16.716 25.595 ( 8.985 -0.687 12.753) 15.615 26.337 ( -17.072 1.045 -4.021) 17.570 27.761 ( 4.407 1.902 -27.986) 28.395 30.933 ( 14.772 -0.316 6.770) 16.253 31.440 ( 10.167 0.168 -9.102) 13.647 33.507 ( 4.325 0.348 32.904) 33.189 34.317 ( 4.860 -0.095 30.752) 31.134 35.702 ( 4.000 0.256 -18.458) 18.888 36.420 ( -3.042 1.538 -23.788) 24.031 41.208 ( 2.053 -1.238 30.085) 30.180 42.740 ( 1.964 0.102 -20.610) 20.703 ======================= Grid point 599 (193/245) ======================= q-point: (-0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 1.852 7.763 10.946) 13.546 2.108 ( -2.676 1.636 6.010) 6.780 2.205 ( -0.362 -5.225 5.037) 7.266 2.243 ( -1.250 1.084 2.008) 2.602 2.897 ( 5.298 2.329 10.915) 12.354 3.114 ( 1.940 5.050 9.426) 10.868 4.856 ( -13.514 1.041 6.081) 14.856 5.226 ( -14.127 -0.266 -5.200) 15.056 5.458 ( -4.857 -0.061 12.593) 13.497 6.096 ( -5.173 -0.927 21.500) 22.133 6.699 ( 1.616 1.480 -4.964) 5.426 7.721 ( -2.251 0.875 -15.200) 15.391 12.496 ( 1.642 10.017 78.257) 78.913 13.077 ( -3.946 0.734 22.474) 22.829 14.339 ( 21.652 0.437 -17.075) 27.578 16.308 ( -3.529 7.873 -42.315) 43.185 18.321 ( 1.531 5.771 -1.610) 6.184 18.627 ( 13.447 -1.068 -14.097) 19.511 20.317 ( 0.669 -5.926 22.766) 23.535 20.529 ( -1.984 -0.808 4.829) 5.283 20.869 ( -15.532 -0.653 6.107) 16.702 20.943 ( -16.465 -6.445 6.345) 18.786 23.727 ( 4.070 1.247 37.405) 37.647 24.335 ( -2.827 0.494 11.099) 11.464 24.685 ( 11.472 -1.311 -9.230) 14.782 25.673 ( -1.477 -3.760 30.860) 31.123 26.088 ( -7.063 3.517 -17.989) 19.643 27.828 ( 3.850 3.378 -31.150) 31.568 31.153 ( 8.281 -0.019 6.866) 10.757 31.582 ( 5.205 0.914 -6.586) 8.444 33.570 ( 2.578 0.392 34.125) 34.225 34.390 ( 2.650 -0.500 31.381) 31.497 35.763 ( 2.652 0.683 -20.549) 20.731 36.357 ( -2.089 3.210 -22.657) 22.978 41.253 ( 1.311 -3.150 29.448) 29.645 42.768 ( 1.099 0.180 -21.247) 21.277 ======================= Grid point 600 (194/245) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 0.000 3.420 11.857) 12.340 2.044 ( 0.000 8.934 6.598) 11.106 2.211 ( -0.000 -2.159 5.534) 5.940 2.249 ( -0.000 -3.068 -0.331) 3.086 2.931 ( 0.000 4.324 14.472) 15.104 3.096 ( 0.000 7.470 14.766) 16.548 4.715 ( 0.000 1.321 4.476) 4.667 5.085 ( -0.000 -0.389 -6.542) 6.553 5.415 ( 0.000 0.224 13.062) 13.064 6.056 ( -0.000 -1.876 18.006) 18.104 6.709 ( 0.000 2.266 -3.401) 4.087 7.695 ( 0.000 1.174 -15.449) 15.493 12.441 ( 0.000 14.584 79.634) 80.959 13.024 ( 0.000 1.740 27.203) 27.258 14.546 ( 0.000 0.419 -19.545) 19.550 16.214 ( 0.000 11.337 -42.818) 44.293 18.295 ( 0.000 7.630 -0.375) 7.640 18.781 ( -0.000 -3.138 -17.544) 17.822 20.392 ( -0.000 -12.493 28.741) 31.339 20.572 ( -0.000 -1.424 0.469) 1.499 20.686 ( -0.000 -5.597 15.906) 16.862 20.783 ( 0.000 0.702 -6.608) 6.645 23.747 ( 0.000 2.080 44.711) 44.759 24.309 ( 0.000 0.688 6.903) 6.937 24.798 ( -0.000 -0.022 -8.763) 8.763 25.664 ( -0.000 -6.071 40.856) 41.304 26.014 ( 0.000 4.476 -25.822) 26.207 27.844 ( 0.000 5.030 -32.202) 32.593 31.230 ( 0.000 0.290 6.739) 6.745 31.623 ( 0.000 1.691 -5.507) 5.761 33.594 ( 0.000 0.001 34.797) 34.797 34.419 ( -0.000 -0.653 30.935) 30.942 35.784 ( 0.000 1.062 -21.451) 21.478 36.313 ( 0.000 4.731 -21.955) 22.459 41.290 ( -0.000 -5.144 28.783) 29.239 42.777 ( 0.000 0.256 -21.296) 21.298 ======================= Grid point 611 (195/245) ======================= q-point: (-0.54 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -3.154 0.000 10.235) 10.709 2.102 ( 3.372 -0.000 6.817) 7.606 2.166 ( -0.267 0.000 3.493) 3.503 2.251 ( -2.800 0.000 3.302) 4.329 2.910 ( 5.524 -0.000 10.813) 12.142 3.144 ( 2.433 -0.000 8.854) 9.182 4.862 ( -13.548 0.000 5.961) 14.801 5.224 ( -14.124 0.000 -5.093) 15.014 5.457 ( -4.907 0.000 12.862) 13.766 6.091 ( -5.326 0.000 22.068) 22.702 6.707 ( 1.617 -0.000 -5.177) 5.423 7.726 ( -2.328 0.000 -15.309) 15.485 12.554 ( 1.749 -0.000 78.049) 78.069 13.082 ( -3.710 0.000 22.877) 23.176 14.341 ( 21.579 -0.000 -17.079) 27.520 16.353 ( -3.715 0.000 -41.772) 41.937 18.357 ( 1.896 -0.000 -1.888) 2.675 18.620 ( 12.774 -0.000 -14.512) 19.333 20.281 ( -0.501 0.000 24.603) 24.608 20.524 ( -2.813 0.000 4.757) 5.527 20.885 ( -19.382 0.000 10.276) 21.938 20.886 ( -10.625 0.000 1.542) 10.736 23.734 ( 4.203 -0.000 37.059) 37.297 24.338 ( -2.931 0.000 11.298) 11.672 24.677 ( 12.239 -0.000 -9.366) 15.411 25.652 ( -1.921 0.000 31.291) 31.350 26.108 ( -6.897 0.000 -18.083) 19.354 27.847 ( 3.737 -0.000 -31.532) 31.753 31.153 ( 8.420 -0.000 6.991) 10.944 31.588 ( 5.355 -0.000 -6.623) 8.517 33.573 ( 2.549 -0.000 33.836) 33.932 34.386 ( 2.531 -0.000 32.061) 32.161 35.767 ( 2.690 -0.000 -20.425) 20.601 36.375 ( -2.053 0.000 -22.920) 23.012 41.235 ( 1.143 -0.000 29.739) 29.761 42.769 ( 1.086 -0.000 -21.492) 21.520 ======================= Grid point 613 (196/245) ======================= q-point: (-0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 0.000 1.545 10.171) 10.288 2.133 ( 0.000 6.787 4.546) 8.169 2.191 ( -0.000 -1.093 6.912) 6.998 2.202 ( -0.000 -5.079 1.994) 5.456 2.964 ( 0.000 1.446 13.764) 13.840 3.160 ( 0.000 3.151 13.785) 14.140 4.725 ( 0.000 0.486 4.211) 4.239 5.082 ( -0.000 -0.150 -6.371) 6.373 5.414 ( -0.000 -0.137 13.570) 13.570 6.042 ( -0.000 -0.586 19.636) 19.645 6.725 ( 0.000 0.708 -3.997) 4.059 7.704 ( 0.000 0.352 -15.638) 15.642 12.555 ( 0.000 5.214 79.920) 80.090 13.038 ( 0.000 0.629 26.771) 26.779 14.550 ( 0.000 0.151 -19.683) 19.684 16.301 ( 0.000 3.771 -41.735) 41.905 18.365 ( 0.000 3.643 -1.396) 3.902 18.755 ( -0.000 -1.265 -17.462) 17.508 20.289 ( -0.000 -4.956 30.584) 30.983 20.560 ( -0.000 -0.516 1.066) 1.184 20.641 ( -0.000 -2.063 15.386) 15.524 20.789 ( 0.000 0.251 -6.555) 6.560 23.764 ( 0.000 0.747 44.599) 44.606 24.315 ( 0.000 0.252 6.620) 6.625 24.797 ( -0.000 -0.009 -8.979) 8.979 25.617 ( -0.000 -2.053 40.860) 40.912 26.051 ( 0.000 1.731 -25.020) 25.080 27.881 ( 0.000 1.547 -32.939) 32.975 31.233 ( 0.000 0.113 6.939) 6.940 31.636 ( 0.000 0.601 -5.661) 5.693 33.597 ( 0.000 0.275 34.325) 34.326 34.411 ( -0.000 -0.438 32.276) 32.279 35.793 ( 0.000 0.382 -21.178) 21.181 36.350 ( 0.000 1.667 -22.502) 22.563 41.251 ( -0.000 -1.726 29.482) 29.532 42.779 ( 0.000 0.073 -21.785) 21.785 ======================= Grid point 700 (197/245) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 0.000 0.000 16.878) 16.878 1.985 ( 0.000 0.000 -12.604) 12.604 2.140 ( 0.000 0.000 10.202) 10.202 2.268 ( 0.000 0.000 -3.263) 3.263 3.003 ( 0.000 0.000 11.431) 11.431 3.085 ( 0.000 0.000 2.561) 2.561 4.779 ( 0.000 0.000 7.928) 7.928 4.943 ( 0.000 0.000 -8.468) 8.468 5.518 ( 0.000 0.000 14.964) 14.964 5.859 ( 0.000 0.000 -19.455) 19.455 6.878 ( 0.000 0.000 20.302) 20.302 7.247 ( 0.000 0.000 -17.192) 17.192 12.973 ( 0.000 0.000 70.649) 70.649 13.527 ( 0.000 0.000 30.389) 30.389 14.084 ( 0.000 0.000 -25.579) 25.579 14.260 ( 0.000 0.000 -59.046) 59.046 18.326 ( 0.000 0.000 8.823) 8.823 18.568 ( 0.000 0.000 -15.466) 15.466 20.605 ( 0.000 0.000 -0.981) 0.981 20.630 ( 0.000 0.000 -3.471) 3.471 21.290 ( 0.000 0.000 8.178) 8.178 21.296 ( 0.000 0.000 7.367) 7.367 24.457 ( 0.000 0.000 9.633) 9.633 24.477 ( 0.000 0.000 40.240) 40.240 24.641 ( 0.000 0.000 -8.807) 8.807 25.179 ( 0.000 0.000 -30.564) 30.564 26.724 ( 0.000 0.000 8.806) 8.806 26.898 ( 0.000 0.000 -8.754) 8.754 31.321 ( 0.000 0.000 5.198) 5.198 31.421 ( 0.000 0.000 -4.863) 4.863 34.458 ( 0.000 0.000 20.391) 20.391 34.561 ( 0.000 0.000 12.625) 12.625 35.444 ( 0.000 0.000 -7.233) 7.233 35.591 ( 0.000 0.000 -19.126) 19.126 42.068 ( 0.000 0.000 17.419) 17.419 42.413 ( 0.000 0.000 -17.155) 17.155 ======================= Grid point 701 (198/245) ======================= q-point: ( 0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 0.943 -3.662 15.162) 15.627 1.957 ( -3.426 -2.162 -6.842) 7.951 2.131 ( -0.722 -0.630 8.405) 8.460 2.283 ( 1.533 -0.292 -4.735) 4.986 2.973 ( -2.894 -0.036 6.653) 7.255 3.005 ( -7.518 -0.304 2.952) 8.083 4.936 ( 15.527 -0.234 8.878) 17.887 5.103 ( 15.949 -0.028 -7.939) 17.816 5.570 ( 4.974 -1.610 15.009) 15.893 5.912 ( 5.158 -1.337 -19.423) 20.141 6.875 ( 0.001 -0.569 22.110) 22.117 7.265 ( 1.873 -0.931 -17.673) 17.796 12.961 ( -3.439 -5.594 67.643) 67.961 13.489 ( -3.642 -0.599 27.343) 27.591 13.876 ( -19.516 -0.797 -26.015) 32.531 14.331 ( 3.559 -5.696 -55.494) 55.899 18.243 ( -8.213 0.476 6.074) 10.227 18.409 ( -14.788 0.004 -10.459) 18.113 20.613 ( 0.969 0.321 3.221) 3.379 20.690 ( 8.814 0.873 -4.625) 9.992 21.422 ( 12.779 1.986 8.137) 15.279 21.467 ( 16.474 1.885 3.598) 16.967 24.315 ( -8.707 0.199 23.960) 25.494 24.599 ( -2.730 1.787 -5.737) 6.600 24.636 ( 7.813 -1.816 21.120) 22.592 25.231 ( 3.787 -1.391 -30.117) 30.386 26.683 ( -2.084 4.015 10.327) 11.274 26.885 ( -2.421 -4.483 -10.096) 11.309 31.263 ( -6.235 -0.166 5.445) 8.279 31.374 ( -5.175 -0.412 -5.788) 7.775 34.389 ( -5.602 3.582 22.051) 23.032 34.544 ( -3.308 -3.723 9.903) 11.085 35.444 ( 0.167 0.220 -5.554) 5.560 35.618 ( 2.147 -2.197 -19.477) 19.718 42.034 ( -3.030 1.451 18.892) 19.188 42.398 ( -1.378 0.438 -17.816) 17.874 ======================= Grid point 702 (199/245) ======================= q-point: ( 0.15 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 1.489 -5.393 11.052) 12.388 1.901 ( -3.873 -4.354 2.280) 6.258 2.131 ( 0.038 -2.055 5.638) 6.001 2.326 ( 2.179 -1.849 -8.597) 9.060 2.840 ( -8.486 1.050 5.561) 10.200 2.925 ( -2.560 0.169 -2.158) 3.353 5.298 ( 21.556 -0.472 10.179) 23.843 5.475 ( 22.411 -0.049 -7.392) 23.599 5.711 ( 8.586 -2.482 14.957) 17.424 6.057 ( 8.962 -2.218 -19.469) 21.547 6.913 ( 4.291 -1.168 25.279) 25.668 7.339 ( 5.602 -1.697 -18.277) 19.191 12.872 ( -11.364 -8.048 50.015) 51.918 13.411 ( -24.437 -1.068 -8.144) 25.781 13.449 ( -6.291 -4.418 22.769) 24.032 14.449 ( 4.255 -10.819 -55.870) 57.067 18.055 ( -10.711 -1.096 2.155) 10.981 18.123 ( -14.062 -1.526 -4.489) 14.839 20.713 ( 10.217 2.164 10.248) 14.632 20.892 ( 13.257 3.491 -6.939) 15.366 21.693 ( 16.712 2.698 8.060) 18.749 21.790 ( 18.461 2.952 -0.942) 18.719 24.106 ( -13.693 2.207 24.204) 27.896 24.465 ( -9.784 4.339 -12.799) 16.684 24.798 ( 7.013 -2.036 21.577) 22.779 25.270 ( -2.134 -2.577 -24.152) 24.383 26.657 ( 2.921 3.696 10.352) 11.373 26.880 ( -0.950 -6.552 -11.749) 13.486 31.093 ( -11.879 0.110 6.085) 13.347 31.232 ( -10.196 -0.314 -8.123) 13.040 34.234 ( -8.415 2.959 24.828) 26.381 34.478 ( -5.793 -3.576 4.517) 8.170 35.450 ( 0.484 -0.238 -1.205) 1.320 35.688 ( 3.385 -3.308 -20.734) 21.267 41.950 ( -4.510 2.060 21.990) 22.542 42.359 ( -2.403 0.694 -19.362) 19.523 ======================= Grid point 703 (200/245) ======================= q-point: ( 0.23 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 1.432 -5.204 6.882) 8.746 1.877 ( -2.063 -6.233 4.083) 7.732 2.157 ( 0.918 -3.411 5.230) 6.311 2.370 ( -0.123 -4.014 -12.432) 13.065 2.705 ( -3.892 2.607 9.075) 10.213 2.884 ( -1.220 1.643 -8.281) 8.530 5.703 ( 20.816 -0.702 10.690) 23.411 5.897 ( 20.261 -0.606 -8.487) 21.975 5.904 ( 12.155 -1.866 15.804) 20.025 6.259 ( 11.139 -2.158 -19.398) 22.473 7.057 ( 10.046 -1.392 26.929) 28.776 7.498 ( 10.046 -1.992 -18.029) 20.735 12.627 ( -18.717 -7.015 23.001) 30.473 12.845 ( -32.164 -2.761 -6.536) 32.937 13.494 ( 2.513 -8.291 48.048) 48.823 14.615 ( 5.847 -13.631 -56.492) 58.407 17.894 ( -7.297 -3.035 2.049) 8.164 17.961 ( -4.326 -3.698 -4.537) 7.278 20.932 ( 14.188 4.708 12.153) 19.266 21.116 ( 12.976 5.363 -5.159) 14.958 21.990 ( 16.199 2.295 6.661) 17.665 22.102 ( 16.540 2.918 -3.391) 17.134 23.779 ( -18.517 4.702 23.102) 29.978 24.178 ( -16.411 8.234 -16.823) 24.903 24.896 ( 1.704 -2.228 16.038) 16.281 25.174 ( -9.493 -3.418 -11.139) 15.029 26.759 ( 8.724 0.928 5.866) 10.553 26.935 ( 2.579 -6.950 -11.033) 13.292 30.829 ( -15.693 0.886 6.868) 17.153 31.004 ( -13.919 0.449 -10.941) 17.710 34.062 ( -8.302 1.382 26.942) 28.226 34.379 ( -6.430 -2.749 -0.619) 7.020 35.463 ( 0.582 -0.726 4.012) 4.119 35.773 ( 3.493 -3.512 -22.716) 23.250 41.853 ( -4.525 1.894 24.756) 25.238 42.305 ( -2.876 0.701 -21.013) 21.221 ======================= Grid point 704 (201/245) ======================= q-point: ( 0.31 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -0.566 -5.004 3.177) 5.954 1.887 ( -0.157 -6.344 1.160) 6.451 2.193 ( 0.478 -3.007 4.361) 5.318 2.340 ( -4.527 -2.652 -8.553) 10.034 2.695 ( 3.643 1.514 5.753) 6.975 2.866 ( 0.729 2.376 -10.320) 10.615 6.070 ( 17.882 -0.491 9.931) 20.461 6.109 ( 10.724 -1.216 13.895) 17.594 6.288 ( 19.011 -0.692 -6.904) 20.238 6.484 ( 11.353 -1.534 -18.398) 21.673 7.272 ( 11.257 -1.138 27.358) 29.605 7.715 ( 11.353 -1.626 -17.685) 21.078 12.271 ( -26.044 -3.569 6.031) 26.970 12.316 ( -21.724 -5.505 2.442) 22.544 13.603 ( 3.141 -9.466 60.366) 61.185 14.810 ( 6.502 -13.061 -57.756) 59.570 17.830 ( -1.716 -3.527 6.330) 7.447 17.987 ( 3.598 -4.903 -9.182) 11.013 21.155 ( 12.672 6.675 10.840) 17.962 21.303 ( 10.100 5.298 -3.368) 11.892 22.242 ( 10.608 1.265 5.545) 12.037 22.355 ( 11.104 1.936 -5.306) 12.458 23.427 ( -13.633 5.149 21.590) 26.048 23.826 ( -13.635 8.486 -18.282) 24.335 24.874 ( -5.272 -1.376 9.284) 10.764 24.967 ( -14.289 -2.296 0.243) 14.475 26.937 ( 9.271 -1.705 1.639) 9.568 27.041 ( 4.320 -6.263 -8.419) 11.348 30.518 ( -16.135 1.736 7.563) 17.904 30.727 ( -14.609 1.408 -13.516) 19.953 33.919 ( -6.397 0.126 27.874) 28.599 34.280 ( -5.478 -1.957 -4.152) 7.147 35.477 ( 0.404 -0.848 8.599) 8.650 35.852 ( 2.787 -3.032 -24.831) 25.171 41.766 ( -3.741 1.391 26.517) 26.816 42.248 ( -2.735 0.545 -22.293) 22.466 ======================= Grid point 705 (202/245) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -1.758 -3.650 0.857) 4.141 1.917 ( -1.076 -5.193 -4.053) 6.675 2.199 ( -0.607 -0.638 3.463) 3.574 2.279 ( -2.384 -0.848 -4.114) 4.830 2.780 ( 4.859 -0.310 1.075) 4.986 2.882 ( 1.975 1.845 -8.717) 9.126 6.288 ( 8.333 -0.227 15.043) 17.198 6.387 ( 15.054 0.045 7.500) 16.819 6.600 ( 13.433 -0.731 -7.611) 15.456 6.675 ( 7.748 -1.157 -16.287) 18.073 7.458 ( 7.489 -0.677 27.739) 28.740 7.910 ( 8.130 -0.926 -18.183) 19.940 11.839 ( -19.686 -2.606 12.060) 23.233 12.022 ( -13.860 -4.186 -5.981) 15.665 13.703 ( 2.136 -7.224 68.541) 68.954 14.988 ( 5.234 -9.364 -59.922) 60.875 17.850 ( 1.216 -2.704 11.789) 12.156 18.109 ( 5.726 -3.614 -13.606) 15.198 21.318 ( 8.692 6.430 8.259) 13.605 21.428 ( 5.994 3.642 -2.715) 7.521 22.331 ( -0.037 1.027 4.307) 4.428 22.438 ( -2.088 0.813 -6.687) 7.053 23.316 ( 5.632 3.410 18.857) 19.973 23.658 ( -0.115 3.826 -15.781) 16.239 24.674 ( -15.988 0.321 8.422) 18.074 24.730 ( -11.106 -0.344 2.606) 11.413 27.100 ( 6.386 -2.708 -0.851) 6.988 27.150 ( 3.613 -4.596 -5.812) 8.243 30.236 ( -12.264 1.912 8.080) 14.811 30.470 ( -11.207 1.707 -15.479) 19.187 33.824 ( -3.879 -0.362 27.978) 28.248 34.204 ( -3.571 -1.198 -6.056) 7.132 35.487 ( 0.172 -0.630 11.869) 11.887 35.909 ( 1.720 -2.037 -26.547) 26.681 41.701 ( -2.481 0.824 27.447) 27.571 42.201 ( -1.977 0.331 -23.092) 23.179 ======================= Grid point 706 (203/245) ======================= q-point: ( 0.46 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -0.601 -1.287 -1.285) 1.916 1.907 ( -1.488 -1.872 -6.337) 6.773 2.197 ( 0.150 -0.057 2.790) 2.794 2.256 ( -0.625 -0.130 -2.987) 3.054 2.853 ( 2.196 -0.551 -1.099) 2.517 2.904 ( 0.883 0.845 -6.505) 6.619 6.400 ( 3.247 0.028 16.207) 16.529 6.611 ( 7.955 0.460 6.875) 10.524 6.747 ( 1.394 -0.655 -14.433) 14.515 6.796 ( 4.659 -0.417 -9.815) 10.873 7.551 ( 2.326 -0.218 28.126) 28.223 8.015 ( 2.737 -0.281 -19.001) 19.199 11.596 ( -7.044 -1.026 16.477) 17.949 11.859 ( -4.982 -1.538 -10.738) 11.937 13.759 ( 0.729 -2.683 72.889) 72.942 15.095 ( 2.033 -3.414 -61.754) 61.881 17.884 ( 0.816 -0.955 15.506) 15.556 18.206 ( 2.583 -1.204 -15.958) 16.211 21.401 ( 3.032 2.943 6.002) 7.340 21.488 ( 1.973 1.100 -2.216) 3.165 22.300 ( -0.780 0.473 0.822) 1.228 22.343 ( -4.863 0.222 -3.743) 6.141 23.518 ( 13.708 1.760 10.481) 17.345 23.683 ( -1.005 -0.861 -6.138) 6.279 24.426 ( -6.973 1.555 9.460) 11.854 24.519 ( -9.497 -0.181 0.057) 9.499 27.194 ( 2.193 -1.420 -2.024) 3.305 27.216 ( 1.382 -1.638 -4.353) 4.852 30.066 ( -4.599 0.865 8.377) 9.596 30.315 ( -4.215 0.790 -16.559) 17.105 33.778 ( -1.286 -0.201 27.849) 27.880 34.163 ( -1.229 -0.407 -6.822) 6.944 35.491 ( 0.037 -0.227 13.556) 13.557 35.938 ( 0.574 -0.716 -27.500) 27.515 41.666 ( -0.874 0.271 27.833) 27.848 42.174 ( -0.724 0.110 -23.464) 23.476 ======================= Grid point 714 (204/245) ======================= q-point: ( 0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 2.030 -0.000 11.742) 11.916 1.876 ( -3.981 0.000 2.481) 4.691 2.119 ( -0.148 0.000 5.230) 5.232 2.315 ( 1.726 -0.000 -8.914) 9.080 2.847 ( -8.252 0.000 5.378) 9.850 2.926 ( -2.106 0.000 -1.789) 2.763 5.296 ( 21.547 -0.000 10.311) 23.887 5.475 ( 22.391 -0.000 -7.499) 23.613 5.696 ( 8.813 -0.000 14.974) 17.375 6.043 ( 9.097 -0.000 -19.630) 21.636 6.906 ( 4.300 -0.000 25.196) 25.560 7.329 ( 5.641 -0.000 -18.078) 18.938 12.824 ( -10.373 0.000 52.600) 53.613 13.407 ( -29.471 0.000 -17.989) 34.527 13.422 ( -2.177 0.000 29.049) 29.131 14.386 ( 4.466 -0.000 -55.195) 55.375 18.049 ( -11.315 0.000 2.007) 11.491 18.114 ( -14.385 0.000 -4.347) 15.027 20.726 ( 10.659 -0.000 10.603) 15.035 20.913 ( 13.600 -0.000 -7.334) 15.452 21.709 ( 16.351 -0.000 8.060) 18.230 21.807 ( 18.185 -0.000 -1.042) 18.215 24.119 ( -13.125 0.000 25.076) 28.303 24.491 ( -8.998 0.000 -13.443) 16.176 24.785 ( 7.071 -0.000 21.574) 22.703 25.254 ( -2.197 0.000 -24.188) 24.288 26.685 ( 2.197 -0.000 6.567) 6.925 26.835 ( -0.832 0.000 -8.080) 8.122 31.093 ( -11.720 0.000 5.923) 13.132 31.230 ( -10.010 0.000 -8.054) 12.848 34.254 ( -9.227 0.000 23.307) 25.068 34.455 ( -5.096 0.000 6.634) 8.365 35.449 ( 0.358 -0.000 -2.183) 2.212 35.668 ( 3.643 -0.000 -20.409) 20.732 41.962 ( -4.751 0.000 21.532) 22.050 42.363 ( -2.462 0.000 -18.990) 19.149 ======================= Grid point 715 (205/245) ======================= q-point: ( 0.15 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 2.150 -2.037 7.031) 7.629 1.828 ( -1.736 -2.254 5.516) 6.206 2.130 ( 0.979 -1.206 4.148) 4.429 2.338 ( -0.134 -1.462 -12.736) 12.820 2.725 ( -3.820 0.927 8.778) 9.618 2.897 ( -0.894 0.594 -7.806) 7.879 5.697 ( 20.831 -0.257 10.804) 23.468 5.884 ( 11.372 -0.846 10.419) 15.446 5.897 ( 21.453 -0.143 -3.288) 21.704 6.241 ( 11.562 -0.876 -19.392) 22.594 7.046 ( 10.204 -0.532 26.774) 28.658 7.481 ( 10.265 -0.774 -17.708) 20.483 12.567 ( -17.467 -2.879 27.274) 32.515 12.822 ( -32.392 -1.089 -7.157) 33.191 13.432 ( 2.303 -2.675 42.913) 43.058 14.507 ( 6.932 -4.926 -55.696) 56.341 17.870 ( -7.376 -1.075 1.744) 7.656 17.932 ( -4.900 -1.309 -4.332) 6.670 20.969 ( 14.720 1.724 12.517) 19.399 21.159 ( 12.761 1.986 -5.144) 13.901 22.008 ( 15.554 0.804 6.443) 16.855 22.124 ( 15.896 0.974 -3.829) 16.380 23.817 ( -18.185 1.832 24.893) 30.882 24.247 ( -15.964 3.328 -17.962) 24.260 24.876 ( 2.008 -0.976 15.403) 15.564 25.145 ( -9.265 -1.418 -11.086) 14.517 26.777 ( 7.733 1.820 1.759) 8.137 26.868 ( 3.011 -4.067 -6.609) 8.324 30.836 ( -15.410 0.318 6.592) 16.764 31.008 ( -13.537 0.168 -10.933) 17.401 34.075 ( -9.112 0.716 25.735) 27.310 34.356 ( -5.765 -1.196 1.395) 6.051 35.458 ( 0.536 -0.204 2.631) 2.693 35.745 ( 3.956 -1.336 -22.162) 22.552 41.868 ( -4.911 0.700 24.256) 24.758 42.310 ( -2.997 0.255 -20.546) 20.765 ======================= Grid point 716 (206/245) ======================= q-point: ( 0.23 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 0.170 -2.752 2.929) 4.023 1.829 ( 0.702 -3.559 2.152) 4.218 2.165 ( 1.582 -1.690 3.754) 4.410 2.315 ( -3.039 -1.643 -9.585) 10.189 2.708 ( 2.328 0.840 6.739) 7.179 2.887 ( 0.467 1.229 -10.269) 10.353 6.065 ( 18.348 -0.263 9.795) 20.800 6.096 ( 11.091 -0.876 14.074) 17.940 6.282 ( 18.929 -0.397 -7.070) 20.210 6.469 ( 11.714 -1.002 -18.255) 21.714 7.262 ( 11.533 -0.698 27.241) 29.590 7.700 ( 11.762 -1.008 -17.335) 20.973 12.236 ( -21.735 -2.297 7.437) 23.086 12.262 ( -24.874 -3.536 3.549) 25.374 13.520 ( 4.343 -4.926 56.447) 56.828 14.691 ( 8.704 -7.344 -57.037) 58.163 17.798 ( -1.414 -1.986 5.508) 6.023 17.941 ( 3.911 -2.885 -8.659) 9.930 21.216 ( 12.717 3.831 10.306) 16.811 21.351 ( 9.178 2.999 -2.334) 9.934 22.254 ( 10.180 0.738 5.198) 11.454 22.372 ( 10.283 0.960 -5.787) 11.839 23.477 ( -14.329 3.264 23.455) 27.679 23.909 ( -15.209 5.548 -19.798) 25.574 24.860 ( -4.545 -1.004 8.660) 9.831 24.943 ( -13.234 -1.691 0.623) 13.356 26.926 ( 8.094 -0.093 -0.610) 8.117 26.978 ( 5.599 -4.625 -5.654) 9.204 30.534 ( -15.984 0.956 7.298) 17.597 30.740 ( -14.296 0.855 -13.625) 19.767 33.921 ( -6.852 0.214 27.290) 28.138 34.261 ( -4.955 -1.256 -2.881) 5.868 35.470 ( 0.505 -0.435 7.333) 7.364 35.824 ( 3.408 -1.770 -24.234) 24.536 41.778 ( -4.127 0.800 26.137) 26.473 42.253 ( -2.876 0.310 -21.898) 22.088 ======================= Grid point 717 (207/245) ======================= q-point: ( 0.31 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -0.306 -2.067 0.067) 2.091 1.865 ( 0.317 -3.850 -3.008) 4.896 2.195 ( 0.780 -0.194 2.784) 2.897 2.269 ( -1.980 -0.793 -4.306) 4.805 2.775 ( 4.147 -0.435 2.375) 4.798 2.899 ( 1.357 1.104 -9.452) 9.612 6.284 ( 8.552 -0.322 15.259) 17.496 6.387 ( 15.437 -0.036 7.595) 17.204 6.593 ( 13.696 -0.436 -7.713) 15.725 6.663 ( 7.805 -1.032 -16.421) 18.211 7.451 ( 7.766 -0.535 27.719) 28.792 7.900 ( 8.546 -0.733 -17.934) 19.880 11.812 ( -19.062 -1.990 11.507) 22.355 11.976 ( -12.600 -3.608 -4.094) 13.731 13.634 ( 4.521 -4.715 66.239) 66.561 14.896 ( 8.441 -6.506 -59.363) 60.312 17.822 ( 1.929 -2.142 11.060) 11.429 18.069 ( 6.736 -3.079 -13.216) 15.149 21.384 ( 7.727 4.901 6.677) 11.327 21.464 ( 4.524 2.484 -1.301) 5.322 22.343 ( 0.017 0.993 4.276) 4.390 22.445 ( -2.490 0.447 -5.993) 6.505 23.352 ( 4.306 2.742 19.000) 19.674 23.702 ( -3.268 3.587 -16.427) 17.129 24.676 ( -14.794 0.087 8.035) 16.835 24.724 ( -10.583 -0.570 2.928) 10.995 27.065 ( 5.612 -3.140 -0.856) 6.488 27.110 ( 5.920 -2.378 -5.493) 8.419 30.254 ( -12.623 1.274 7.946) 14.970 30.489 ( -11.353 1.377 -15.648) 19.382 33.821 ( -3.932 -0.205 27.797) 28.074 34.191 ( -3.115 -0.947 -5.443) 6.342 35.481 ( 0.372 -0.438 11.004) 11.019 35.888 ( 2.463 -1.466 -26.087) 26.244 41.709 ( -2.823 0.590 27.214) 27.366 42.204 ( -2.113 0.235 -22.837) 22.936 ======================= Grid point 718 (208/245) ======================= q-point: ( 0.38 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 0.712 -0.935 -1.516) 1.918 1.888 ( 0.897 -1.464 -6.097) 6.334 2.202 ( 0.516 0.924 2.359) 2.585 2.253 ( -0.392 -0.379 -2.660) 2.716 2.843 ( 2.114 -1.117 -0.228) 2.402 2.913 ( 0.260 0.611 -7.333) 7.363 6.399 ( 3.145 -0.238 16.332) 16.633 6.615 ( 7.696 0.233 7.579) 10.804 6.741 ( 1.778 -0.334 -15.634) 15.738 6.790 ( 5.202 -0.570 -9.404) 10.762 7.548 ( 2.574 -0.222 28.139) 28.258 8.012 ( 3.068 -0.275 -18.915) 19.165 11.584 ( -5.981 -1.068 16.250) 17.348 11.839 ( -3.406 -1.843 -10.013) 10.735 13.733 ( 3.886 -1.806 72.027) 72.154 15.061 ( 5.998 -2.584 -61.540) 61.885 17.870 ( 1.645 -1.376 15.186) 15.337 18.187 ( 3.584 -1.984 -15.742) 16.267 21.435 ( 0.049 3.034 4.757) 5.642 21.500 ( 0.849 1.033 -1.286) 1.855 22.308 ( -1.075 0.834 0.959) 1.665 22.347 ( -5.088 0.317 -3.234) 6.037 23.539 ( 13.353 1.752 9.266) 16.347 23.677 ( -2.487 -0.271 -4.777) 5.392 24.444 ( -7.266 1.603 8.115) 11.010 24.514 ( -9.946 -0.630 0.916) 10.008 27.164 ( 2.904 -2.930 -0.739) 4.191 27.211 ( 3.860 -0.027 -5.580) 6.786 30.074 ( -5.582 0.573 8.443) 10.137 30.325 ( -4.938 0.945 -16.724) 17.463 33.776 ( -1.081 -0.158 27.810) 27.832 34.158 ( -0.781 -0.414 -6.633) 6.691 35.489 ( 0.284 -0.209 13.250) 13.255 35.930 ( 1.398 -0.590 -27.331) 27.373 41.669 ( -1.191 0.224 27.752) 27.779 42.175 ( -0.853 0.088 -23.374) 23.390 ======================= Grid point 719 (209/245) ======================= q-point: (-0.54 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 2.355 1.240 -0.893) 2.807 1.930 ( 3.759 2.040 -6.603) 7.867 2.204 ( 0.209 1.113 2.429) 2.680 2.256 ( 0.689 -0.161 -2.603) 2.698 2.853 ( -1.895 -0.643 -1.476) 2.487 2.896 ( -1.878 -0.516 -6.239) 6.536 6.398 ( -3.332 -0.333 16.138) 16.482 6.605 ( -8.079 -0.579 6.034) 10.100 6.755 ( -0.982 0.834 -13.699) 13.760 6.799 ( -4.268 0.133 -9.693) 10.592 7.553 ( -2.078 0.158 28.115) 28.192 8.018 ( -2.408 0.216 -19.088) 19.240 11.606 ( 8.163 0.705 16.584) 18.498 11.873 ( 6.566 0.789 -11.070) 12.895 13.792 ( 2.660 3.014 73.447) 73.557 15.136 ( 2.168 3.531 -62.034) 62.172 17.890 ( 0.154 0.148 15.605) 15.607 18.212 ( -1.476 -0.140 -15.844) 15.913 21.371 ( -6.104 -2.188 7.113) 9.625 21.477 ( -3.373 -0.658 -2.997) 4.560 22.297 ( 0.492 0.035 0.459) 0.674 22.342 ( 4.481 0.061 -4.149) 6.107 23.500 ( -14.238 -1.331 11.942) 18.631 23.696 ( 0.007 1.291 -7.649) 7.757 24.409 ( 6.237 -1.327 10.485) 12.272 24.519 ( 9.182 -0.165 -0.441) 9.194 27.195 ( -0.941 -0.481 -0.623) 1.227 27.246 ( 0.741 2.864 -5.899) 6.600 30.055 ( 3.566 -0.987 8.643) 9.402 30.308 ( 3.420 -0.396 -16.677) 17.028 33.780 ( 1.520 0.199 27.843) 27.885 34.167 ( 1.689 0.293 -6.955) 7.163 35.494 ( 0.235 0.190 13.898) 13.901 35.946 ( 0.291 0.678 -27.703) 27.713 41.663 ( 0.540 -0.257 27.917) 27.923 42.172 ( 0.588 -0.107 -23.558) 23.566 ======================= Grid point 720 (210/245) ======================= q-point: (-0.46 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 3.558 4.480 1.576) 5.934 1.980 ( 2.987 5.698 -4.912) 8.094 2.210 ( 1.641 1.197 3.764) 4.277 2.286 ( 2.849 0.327 -3.493) 4.519 2.782 ( -5.445 -0.064 -0.461) 5.465 2.858 ( -2.800 -2.303 -7.916) 8.706 6.289 ( -8.034 -0.026 14.886) 16.915 6.386 ( -14.627 -0.166 7.322) 16.358 6.609 ( -13.298 0.855 -7.417) 15.250 6.688 ( -7.577 0.947 -16.218) 17.925 7.465 ( -7.190 0.624 27.743) 28.667 7.920 ( -7.689 0.856 -18.462) 20.017 11.868 ( 20.465 2.477 12.462) 24.088 12.066 ( 15.081 3.437 -7.542) 17.209 13.793 ( 0.879 8.320 70.736) 71.229 15.102 ( -1.427 10.213 -60.595) 61.466 17.880 ( -0.138 2.375 12.419) 12.644 18.146 ( -4.317 2.700 -13.727) 14.641 21.243 ( -10.161 -6.442 9.923) 15.595 21.385 ( -7.671 -3.587 -4.210) 9.458 22.321 ( -0.074 -0.620 3.911) 3.960 22.427 ( 1.484 -0.942 -7.174) 7.386 23.278 ( -7.029 -3.151 19.191) 20.679 23.620 ( -3.277 -2.734 -15.480) 16.058 24.669 ( 17.283 -0.577 8.771) 19.390 24.731 ( 11.534 -0.085 2.431) 11.788 27.126 ( -5.970 1.952 0.550) 6.305 27.208 ( -2.211 5.235 -7.624) 9.509 30.212 ( 11.868 -2.173 8.488) 14.751 30.452 ( 10.976 -1.522 -15.509) 19.061 33.829 ( 3.896 0.466 28.102) 28.375 34.217 ( 4.057 1.113 -6.646) 7.866 35.495 ( 0.102 0.679 12.884) 12.903 35.933 ( -0.865 2.126 -27.107) 27.204 41.691 ( 2.079 -0.866 27.722) 27.813 42.197 ( 1.817 -0.353 -23.395) 23.469 ======================= Grid point 721 (211/245) ======================= q-point: (-0.38 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 1.382 6.423 3.478) 7.434 1.969 ( 1.134 7.747 -0.080) 7.830 2.231 ( 1.149 3.652 5.127) 6.399 2.371 ( 6.679 2.578 -6.435) 9.627 2.676 ( -5.497 -1.732 3.759) 6.881 2.834 ( -1.070 -3.296 -10.446) 11.006 6.076 ( -17.465 0.594 9.998) 20.133 6.122 ( -10.070 0.994 13.800) 17.112 6.297 ( -19.138 0.814 -6.674) 20.284 6.502 ( -10.936 1.508 -18.565) 21.599 7.286 ( -10.915 1.204 27.467) 29.581 7.735 ( -10.851 1.709 -18.139) 21.206 12.314 ( 27.928 3.814 5.659) 28.750 12.379 ( 21.051 5.256 0.036) 21.698 13.730 ( -1.109 12.458 64.863) 66.058 14.978 ( -3.509 15.811 -58.619) 60.815 17.876 ( 2.297 4.214 7.329) 8.761 18.047 ( -2.888 5.405 -9.694) 11.469 21.070 ( -12.704 -7.935 11.576) 18.931 21.236 ( -11.234 -6.152 -4.681) 13.637 22.226 ( -11.319 -1.360 5.643) 12.721 22.328 ( -12.413 -2.729 -4.368) 13.439 23.366 ( 12.802 -5.325 19.340) 23.796 23.727 ( 11.554 -8.462 -16.714) 22.010 24.889 ( 6.090 1.209 10.014) 11.783 24.991 ( 15.632 1.892 0.042) 15.747 26.961 ( -9.866 2.405 3.762) 10.829 27.116 ( -3.593 6.605 -11.260) 13.540 30.496 ( 16.386 -2.159 8.051) 18.384 30.710 ( 14.992 -1.528 -13.496) 20.230 33.919 ( 5.990 0.186 28.448) 29.072 34.303 ( 6.028 2.006 -5.574) 8.452 35.489 ( -0.192 1.121 10.258) 10.321 35.890 ( -2.000 3.512 -25.648) 25.964 41.748 ( 3.221 -1.637 27.035) 27.275 42.241 ( 2.540 -0.651 -22.836) 22.986 ======================= Grid point 722 (212/245) ======================= q-point: (-0.31 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -0.729 6.878 6.769) 9.678 1.962 ( 2.511 8.269 1.392) 8.754 2.206 ( -0.768 5.054 7.171) 8.807 2.425 ( -0.213 5.526 -11.778) 13.011 2.668 ( 4.490 -3.777 9.611) 11.260 2.861 ( 2.026 -2.313 -9.185) 9.686 5.712 ( -20.748 0.965 10.489) 23.269 5.903 ( -22.266 0.468 -7.855) 23.615 5.931 ( -9.553 2.419 15.526) 18.389 6.287 ( -10.535 2.481 -19.351) 22.172 7.076 ( -9.797 1.737 27.114) 28.882 7.524 ( -9.722 2.452 -18.552) 21.088 12.714 ( 20.266 7.672 16.344) 27.142 12.881 ( 31.794 3.403 -5.631) 32.468 13.620 ( -2.279 13.601 56.024) 57.697 14.805 ( -4.005 19.059 -57.541) 60.747 17.937 ( 7.195 4.412 2.589) 8.828 18.013 ( 3.458 5.343 -4.906) 8.036 20.866 ( -13.165 -6.497 11.623) 18.725 21.043 ( -13.231 -7.132 -5.213) 15.909 21.958 ( -17.452 -3.381 6.859) 19.054 22.059 ( -17.733 -4.646 -2.435) 18.493 23.717 ( 18.977 -5.830 20.242) 28.352 24.072 ( 17.116 -9.920 -15.369) 25.051 24.923 ( -1.259 2.451 17.298) 17.516 25.217 ( 9.993 3.879 -11.091) 15.424 26.758 ( -10.041 0.681 9.657) 13.947 27.018 ( -2.184 7.340 -15.473) 17.265 30.816 ( 16.211 -1.257 7.376) 17.854 30.998 ( 14.552 -0.591 -10.994) 18.247 34.048 ( 7.409 -0.973 28.442) 29.407 34.413 ( 7.119 2.993 -3.347) 8.417 35.475 ( -0.528 1.300 6.215) 6.372 35.821 ( -2.827 4.595 -23.639) 24.247 41.827 ( 3.886 -2.566 25.596) 26.016 42.295 ( 2.665 -0.975 -21.808) 21.992 ======================= Grid point 723 (213/245) ======================= q-point: (-0.23 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -0.218 7.915 9.684) 12.509 1.970 ( 3.435 7.422 0.856) 8.223 2.164 ( -0.647 3.640 7.069) 7.978 2.354 ( -3.382 2.858 -7.499) 8.709 2.826 ( 9.356 -1.123 5.904) 11.120 2.924 ( 3.882 0.125 -3.105) 4.973 5.306 ( -21.568 0.884 9.818) 23.714 5.476 ( -22.467 0.143 -7.101) 23.563 5.748 ( -8.027 3.662 14.955) 17.364 6.089 ( -8.647 3.265 -18.979) 21.110 6.931 ( -4.272 1.873 25.411) 25.836 7.365 ( -5.538 2.629 -18.779) 19.754 12.990 ( 14.063 11.419 41.194) 45.001 13.432 ( 25.502 2.575 -8.432) 26.983 13.525 ( 2.654 9.313 34.098) 35.446 14.623 ( -3.632 19.028 -57.228) 60.418 18.075 ( 9.215 2.449 2.362) 9.823 18.147 ( 13.073 2.659 -4.715) 14.149 20.679 ( -8.976 -3.578 9.303) 13.414 20.838 ( -12.315 -5.807 -5.879) 14.830 21.649 ( -17.730 -5.028 8.035) 20.105 21.741 ( -19.206 -5.632 -0.584) 20.023 24.072 ( 15.116 -3.651 21.975) 26.921 24.401 ( 11.901 -6.542 -11.951) 18.091 24.827 ( -6.943 2.834 22.451) 23.671 25.309 ( 2.093 4.118 -24.033) 24.473 26.619 ( -4.552 -2.669 16.526) 17.348 26.963 ( 0.989 7.584 -17.787) 19.362 31.091 ( 12.324 -0.181 6.522) 13.945 31.237 ( 10.700 0.528 -8.309) 13.557 34.198 ( 7.259 -2.898 27.618) 28.703 34.524 ( 6.649 4.136 0.280) 7.836 35.457 ( -0.628 1.013 1.249) 1.726 35.738 ( -2.877 5.188 -21.584) 22.384 41.918 ( 3.885 -3.469 23.184) 23.762 42.348 ( 2.235 -1.221 -20.345) 20.503 ======================= Grid point 724 (214/245) ======================= q-point: (-0.15 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -0.346 8.950 13.227) 15.974 2.003 ( 3.388 5.482 -5.695) 8.600 2.145 ( 0.128 1.682 8.073) 8.248 2.290 ( -2.132 0.787 -4.348) 4.906 2.976 ( 4.486 0.540 6.741) 8.115 3.014 ( 6.976 1.307 2.738) 7.607 4.941 ( -15.537 0.671 8.624) 17.783 5.104 ( -15.918 0.095 -7.747) 17.703 5.603 ( -4.792 3.949 14.937) 16.176 5.939 ( -5.096 3.221 -18.786) 19.730 6.887 ( -0.094 1.485 22.260) 22.310 7.285 ( -1.883 2.292 -18.123) 18.364 13.082 ( 4.520 14.866 66.165) 67.965 13.504 ( 2.648 2.190 29.234) 29.436 13.891 ( 19.055 1.627 -24.519) 31.096 14.457 ( -3.376 16.002 -57.156) 59.450 18.235 ( 7.248 -0.806 6.502) 9.770 18.409 ( 13.683 -0.045 -10.876) 17.479 20.606 ( -0.014 -0.829 2.834) 2.953 20.672 ( -7.411 -2.313 -3.807) 8.647 21.378 ( -13.507 -5.646 8.231) 16.795 21.425 ( -16.886 -5.372 3.443) 18.051 24.311 ( 9.656 -0.610 22.583) 24.568 24.575 ( 3.680 -2.266 -3.350) 5.468 24.661 ( -7.690 2.446 20.000) 21.567 25.261 ( -3.605 3.699 -30.626) 31.059 26.621 ( 1.124 -5.917 17.498) 18.506 26.958 ( 2.381 7.235 -16.694) 18.350 31.266 ( 6.435 0.475 5.737) 8.634 31.383 ( 5.381 1.116 -6.012) 8.145 34.336 ( 4.670 -4.839 25.919) 26.777 34.601 ( 4.094 5.323 4.753) 8.227 35.443 ( -0.364 0.297 -3.475) 3.506 35.662 ( -1.855 5.143 -20.061) 20.792 42.003 ( 2.683 -3.830 20.195) 20.730 42.389 ( 1.307 -1.223 -18.763) 18.849 ======================= Grid point 725 (215/245) ======================= q-point: (-0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 0.000 7.278 15.703) 17.308 2.010 ( 0.000 4.149 -11.845) 12.551 2.143 ( 0.000 0.563 10.017) 10.033 2.268 ( 0.000 0.035 -3.115) 3.115 3.010 ( 0.000 1.239 11.183) 11.251 3.088 ( 0.000 0.594 2.745) 2.809 4.782 ( 0.000 0.444 7.816) 7.828 4.943 ( 0.000 0.094 -8.376) 8.376 5.536 ( 0.000 3.128 14.911) 15.235 5.874 ( 0.000 2.500 -19.081) 19.244 6.884 ( 0.000 0.980 20.437) 20.461 7.257 ( 0.000 1.717 -17.465) 17.550 13.040 ( 0.000 11.476 70.907) 71.829 13.530 ( 0.000 0.558 30.237) 30.243 14.086 ( 0.000 0.227 -25.541) 25.542 14.330 ( 0.000 12.007 -59.180) 60.386 18.316 ( -0.000 -1.667 9.034) 9.187 18.561 ( -0.000 -1.193 -15.598) 15.643 20.605 ( -0.000 -0.088 -0.746) 0.751 20.632 ( 0.000 0.479 -3.572) 3.604 21.264 ( -0.000 -4.418 8.138) 9.260 21.269 ( -0.000 -4.505 7.434) 8.693 24.457 ( -0.000 -0.034 9.532) 9.532 24.486 ( 0.000 1.674 40.475) 40.510 24.640 ( -0.000 -0.209 -8.810) 8.813 25.196 ( 0.000 2.886 -31.023) 31.157 26.677 ( -0.000 -6.546 13.739) 15.219 26.945 ( 0.000 6.574 -13.374) 14.902 31.323 ( 0.000 0.499 5.342) 5.365 31.426 ( 0.000 0.965 -4.997) 5.090 34.412 ( -0.000 -5.688 23.673) 24.347 34.607 ( 0.000 5.862 8.620) 10.424 35.440 ( -0.000 -0.323 -6.119) 6.127 35.617 ( 0.000 4.223 -19.382) 19.837 42.050 ( -0.000 -3.077 18.230) 18.487 42.407 ( -0.000 -0.913 -17.716) 17.739 ======================= Grid point 728 (216/245) ======================= q-point: ( 0.15 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 1.324 -0.000 2.483) 2.814 1.809 ( 0.191 -0.000 2.888) 2.894 2.155 ( 1.973 -0.000 3.517) 4.033 2.305 ( -2.510 0.000 -9.890) 10.203 2.713 ( 1.857 -0.000 7.035) 7.276 2.894 ( 0.365 -0.000 -10.256) 10.263 6.064 ( 18.609 -0.000 9.695) 20.983 6.091 ( 11.148 -0.000 14.189) 18.044 6.280 ( 18.901 -0.000 -7.129) 20.201 6.463 ( 11.860 -0.000 -18.196) 21.720 7.257 ( 11.638 -0.000 27.189) 29.575 7.694 ( 11.922 -0.000 -17.202) 20.929 12.222 ( -17.634 0.000 9.058) 19.824 12.241 ( -28.482 0.000 2.930) 28.633 13.492 ( 4.716 -0.000 54.893) 55.095 14.649 ( 9.510 -0.000 -56.748) 57.540 17.787 ( -1.325 0.000 5.191) 5.357 17.925 ( 3.988 -0.000 -8.443) 9.338 21.238 ( 12.756 -0.000 10.094) 16.267 21.369 ( 8.809 -0.000 -1.913) 9.014 22.258 ( 10.040 -0.000 5.015) 11.223 22.377 ( 10.008 -0.000 -5.931) 11.634 23.496 ( -14.604 0.000 24.191) 28.257 23.943 ( -15.824 0.000 -20.470) 25.873 24.854 ( -4.234 0.000 8.421) 9.426 24.933 ( -12.819 0.000 0.834) 12.846 26.935 ( 5.127 -0.000 -2.447) 5.681 26.941 ( 8.604 -0.000 -3.628) 9.338 30.540 ( -15.934 0.000 7.219) 17.493 30.745 ( -14.175 0.000 -13.684) 19.702 33.923 ( -7.062 0.000 27.034) 27.941 34.253 ( -4.728 0.000 -2.359) 5.284 35.468 ( 0.528 -0.000 6.857) 6.877 35.813 ( 3.648 -0.000 -24.013) 24.289 41.783 ( -4.271 0.000 25.997) 26.345 42.255 ( -2.927 0.000 -21.753) 21.949 ======================= Grid point 729 (217/245) ======================= q-point: ( 0.23 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 0.561 -0.102 -0.793) 0.977 1.832 ( 1.000 -1.968 -1.974) 2.961 2.194 ( 1.814 -0.015 2.262) 2.900 2.262 ( -1.804 -0.317 -4.301) 4.675 2.771 ( 3.663 -0.205 3.118) 4.815 2.907 ( 1.014 0.357 -9.885) 9.944 6.281 ( 8.670 -0.152 15.413) 17.685 6.387 ( 15.661 -0.026 7.623) 17.417 6.590 ( 13.956 -0.129 -7.700) 15.940 6.654 ( 7.760 -0.430 -16.565) 18.298 7.446 ( 7.934 -0.204 27.700) 28.815 7.894 ( 8.803 -0.281 -17.786) 19.847 11.796 ( -18.746 -0.739 11.071) 21.784 11.946 ( -11.743 -1.448 -2.759) 12.149 13.597 ( 5.804 -1.613 64.740) 65.020 14.844 ( 10.268 -2.322 -59.031) 59.963 17.804 ( 2.259 -0.811 10.576) 10.845 18.044 ( 7.233 -1.201 -12.898) 14.837 21.424 ( 7.461 1.931 5.506) 9.471 21.482 ( 3.488 0.767 -0.217) 3.578 22.352 ( 0.155 0.417 4.062) 4.086 22.448 ( -2.723 0.119 -5.446) 6.090 23.375 ( 3.467 1.065 19.260) 19.599 23.733 ( -5.218 1.498 -16.991) 17.837 24.677 ( -14.029 0.002 7.766) 16.035 24.719 ( -10.212 -0.290 3.215) 10.710 27.038 ( 5.278 -1.344 -0.196) 5.450 27.093 ( 7.137 -0.720 -5.980) 9.339 30.264 ( -12.836 0.443 7.950) 15.105 30.500 ( -11.419 0.531 -15.822) 19.520 33.819 ( -3.993 -0.062 27.659) 27.946 34.183 ( -2.830 -0.364 -5.044) 5.795 35.477 ( 0.471 -0.156 10.506) 10.518 35.876 ( 2.897 -0.534 -25.830) 25.997 41.714 ( -3.020 0.214 27.080) 27.249 42.206 ( -2.190 0.085 -22.691) 22.797 ======================= Grid point 730 (218/245) ======================= q-point: ( 0.31 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 1.319 -0.441 -1.668) 2.172 1.875 ( 2.869 -0.829 -5.858) 6.575 2.215 ( 0.870 1.202 1.416) 2.051 2.248 ( -0.215 -0.584 -1.856) 1.957 2.831 ( 1.915 -0.869 0.559) 2.176 2.917 ( -0.073 0.257 -8.117) 8.121 6.396 ( 3.062 -0.242 16.451) 16.735 6.617 ( 7.411 0.063 7.955) 10.873 6.739 ( 2.019 -0.076 -16.884) 17.004 6.784 ( 5.742 -0.436 -8.626) 10.371 7.546 ( 2.757 -0.141 28.149) 28.284 8.010 ( 3.318 -0.172 -18.853) 19.143 11.573 ( -5.222 -0.689 16.007) 16.851 11.821 ( -2.219 -1.274 -9.251) 9.598 13.718 ( 6.092 -0.850 71.212) 71.477 15.038 ( 8.824 -1.365 -61.406) 62.052 17.855 ( 2.161 -0.997 14.836) 15.025 18.166 ( 4.225 -1.489 -15.414) 16.052 21.466 ( -2.512 2.149 3.520) 4.829 21.509 ( 0.605 0.396 -0.275) 0.774 22.317 ( -1.285 0.714 0.863) 1.705 22.349 ( -5.143 0.151 -2.705) 5.813 23.556 ( 13.252 1.114 8.505) 15.785 23.676 ( -3.981 0.043 -3.872) 5.554 24.462 ( -6.805 1.374 6.650) 9.614 24.505 ( -10.775 -0.890 2.042) 11.003 27.136 ( 3.937 -1.819 0.697) 4.392 27.211 ( 5.103 -0.026 -7.019) 8.678 30.079 ( -6.280 0.269 8.669) 10.708 30.334 ( -5.439 0.646 -17.000) 17.860 33.774 ( -0.945 -0.086 27.756) 27.772 34.154 ( -0.452 -0.265 -6.460) 6.481 35.487 ( 0.452 -0.126 13.044) 13.052 35.925 ( 1.988 -0.332 -27.224) 27.299 41.671 ( -1.417 0.126 27.695) 27.731 42.176 ( -0.945 0.049 -23.310) 23.329 ======================= Grid point 731 (219/245) ======================= q-point: (-0.62 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 3.952 0.824 -0.346) 4.051 1.952 ( 5.641 1.743 -7.047) 9.193 2.220 ( 0.489 1.533 1.503) 2.202 2.253 ( 0.524 -0.435 -1.627) 1.764 2.841 ( -1.652 -1.217 -1.165) 2.359 2.892 ( -2.652 -0.152 -6.687) 7.195 6.393 ( -3.378 -0.415 16.133) 16.488 6.599 ( -8.094 -0.481 5.327) 9.702 6.765 ( -0.542 0.759 -13.693) 13.725 6.799 ( -4.144 -0.107 -9.041) 9.946 7.555 ( -1.882 0.085 28.109) 28.172 8.020 ( -2.153 0.126 -19.157) 19.278 11.612 ( 9.084 0.347 16.576) 18.906 11.878 ( 7.839 0.190 -11.020) 13.526 13.824 ( 5.479 2.413 73.650) 73.893 15.172 ( 5.662 2.703 -62.324) 62.639 17.888 ( 0.988 -0.357 15.490) 15.526 18.205 ( -0.599 -0.886 -15.462) 15.499 21.351 ( -8.656 -1.226 7.975) 11.833 21.473 ( -4.531 -0.199 -3.580) 5.778 22.300 ( 0.272 0.317 0.007) 0.418 22.344 ( 4.107 0.226 -4.433) 6.047 23.488 ( -14.763 -0.766 13.288) 19.877 23.710 ( -0.481 1.173 -8.927) 9.017 24.397 ( 5.371 -0.903 11.139) 12.399 24.516 ( 8.974 -0.266 -0.645) 9.001 27.189 ( 0.483 -0.571 1.076) 1.311 27.275 ( 2.118 1.973 -7.790) 8.311 30.045 ( 2.722 -0.792 9.120) 9.550 30.305 ( 2.735 -0.085 -16.994) 17.213 33.782 ( 1.724 0.147 27.801) 27.855 34.170 ( 2.061 0.156 -7.012) 7.311 35.495 ( 0.468 0.120 14.194) 14.203 35.953 ( 1.000 0.482 -27.889) 27.911 41.660 ( 0.265 -0.183 27.985) 27.987 42.171 ( 0.475 -0.078 -23.635) 23.640 ======================= Grid point 732 (220/245) ======================= q-point: (-0.54 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 5.561 4.175 2.294) 7.322 2.043 ( 5.011 5.187 -5.450) 9.039 2.226 ( 1.971 1.579 3.200) 4.077 2.284 ( 3.054 -0.637 -2.337) 3.898 2.778 ( -5.555 -0.556 -1.731) 5.845 2.832 ( -3.854 -2.010 -7.390) 8.574 6.287 ( -7.708 -0.221 14.843) 16.727 6.384 ( -14.263 -0.220 7.107) 15.937 6.619 ( -13.284 0.742 -7.223) 15.139 6.697 ( -7.364 0.617 -16.206) 17.812 7.471 ( -6.942 0.447 27.734) 28.593 7.929 ( -7.329 0.618 -18.705) 20.099 11.893 ( 21.199 1.825 12.646) 24.751 12.098 ( 16.039 2.170 -8.392) 18.232 13.884 ( 3.791 7.332 72.289) 72.759 15.212 ( 2.092 8.715 -61.288) 61.940 17.902 ( 1.092 1.505 12.710) 12.845 18.168 ( -2.856 1.158 -13.410) 13.759 21.176 ( -11.746 -5.050 11.468) 17.175 21.350 ( -9.218 -2.555 -5.685) 11.127 22.317 ( -0.256 -0.117 3.203) 3.215 22.417 ( 0.718 -0.740 -7.358) 7.430 23.246 ( -8.210 -2.333 19.994) 21.740 23.597 ( -6.136 -1.394 -15.571) 16.794 24.662 ( 18.436 -0.652 9.003) 20.527 24.728 ( 11.768 -0.350 2.408) 12.017 27.145 ( -5.123 1.314 2.217) 5.735 27.263 ( -1.367 4.229 -9.727) 10.694 30.189 ( 11.534 -1.899 9.109) 14.820 30.437 ( 10.697 -1.049 -15.755) 19.073 33.834 ( 3.980 0.443 28.133) 28.417 34.228 ( 4.462 0.811 -7.065) 8.396 35.502 ( 0.389 0.568 13.813) 13.830 35.955 ( -0.095 1.735 -27.639) 27.693 41.682 ( 1.710 -0.711 27.975) 28.036 42.193 ( 1.669 -0.293 -23.677) 23.737 ======================= Grid point 733 (221/245) ======================= q-point: (-0.46 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 2.103 6.827 3.630) 8.013 2.057 ( 1.723 7.449 -1.147) 7.732 2.273 ( 3.065 3.475 5.886) 7.491 2.394 ( 8.754 1.221 -2.847) 9.286 2.658 ( -7.122 -1.132 0.434) 7.225 2.793 ( -1.473 -3.751 -10.718) 11.451 6.083 ( -17.160 0.556 9.986) 19.862 6.130 ( -9.337 0.522 13.857) 16.718 6.306 ( -19.278 0.742 -6.459) 20.345 6.517 ( -10.590 1.146 -18.733) 21.549 7.299 ( -10.614 0.968 27.534) 29.525 7.752 ( -10.406 1.380 -18.576) 21.337 12.355 ( 28.868 3.213 5.503) 29.562 12.431 ( 21.032 3.791 -1.780) 21.445 13.876 ( 1.313 12.487 68.402) 69.545 15.157 ( -0.526 14.938 -59.443) 61.293 17.923 ( 3.141 3.867 8.118) 9.525 18.104 ( -1.768 4.323 -9.846) 10.897 20.981 ( -12.822 -7.371 12.482) 19.353 21.169 ( -12.300 -5.313 -6.159) 14.746 22.213 ( -12.199 -0.956 5.242) 13.312 22.295 ( -14.034 -2.993 -2.925) 14.644 23.310 ( 12.095 -4.326 17.386) 21.617 23.641 ( 9.361 -6.554 -15.523) 19.275 24.901 ( 6.811 0.826 10.595) 12.623 25.009 ( 16.960 1.138 0.083) 16.999 26.989 ( -10.039 2.287 5.563) 11.703 27.187 ( -3.283 5.658 -13.833) 15.302 30.471 ( 16.697 -2.086 8.705) 18.945 30.693 ( 15.326 -1.282 -13.629) 20.550 33.923 ( 5.772 0.446 28.805) 29.381 34.324 ( 6.459 1.612 -6.683) 9.433 35.502 ( 0.095 1.126 11.873) 11.926 35.929 ( -1.250 3.186 -26.490) 26.710 41.730 ( 2.700 -1.503 27.562) 27.734 42.234 ( 2.340 -0.607 -23.395) 23.519 ======================= Grid point 734 (222/245) ======================= q-point: (-0.38 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -0.427 7.396 6.314) 9.734 2.056 ( 2.430 7.740 -1.320) 8.219 2.269 ( -0.449 5.834 9.284) 10.974 2.488 ( -2.517 4.935 -10.104) 11.523 2.623 ( 7.244 -3.616 9.649) 12.596 2.833 ( 3.544 -2.447 -10.437) 11.291 5.724 ( -20.617 1.000 10.254) 23.048 5.908 ( -22.555 0.497 -7.059) 23.639 5.956 ( -8.715 1.913 15.218) 17.641 6.313 ( -9.978 2.077 -19.266) 21.796 7.095 ( -9.572 1.535 27.244) 28.917 7.551 ( -9.431 2.185 -19.121) 21.432 12.792 ( 21.067 5.841 10.612) 24.301 12.920 ( 31.565 3.252 -4.843) 32.099 13.793 ( -1.172 16.137 63.124) 65.164 15.032 ( -1.996 19.875 -58.353) 61.678 17.991 ( 7.138 4.850 3.195) 9.202 18.078 ( 2.746 5.707 -5.313) 8.267 20.789 ( -11.806 -6.768 11.269) 17.668 20.962 ( -13.319 -6.818 -5.471) 15.932 21.916 ( -19.193 -3.732 6.807) 20.703 21.999 ( -19.270 -5.612 -0.960) 20.093 23.652 ( 19.350 -5.348 17.176) 26.421 23.962 ( 17.747 -9.049 -14.044) 24.374 24.950 ( -0.756 2.094 18.748) 18.879 25.259 ( 10.701 3.276 -10.871) 15.602 26.772 ( -11.084 1.580 12.381) 16.692 27.097 ( -2.148 6.401 -19.114) 20.271 30.801 ( 16.859 -1.339 8.015) 18.715 30.991 ( 15.249 -0.575 -11.122) 18.883 34.041 ( 6.812 -0.204 29.559) 30.335 34.445 ( 7.562 2.479 -5.627) 9.747 35.492 ( -0.335 1.601 8.513) 8.669 35.874 ( -2.187 4.549 -24.688) 25.199 41.797 ( 3.184 -2.599 26.536) 26.853 42.283 ( 2.417 -1.015 -22.719) 22.869 ======================= Grid point 735 (223/245) ======================= q-point: (-0.31 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 0.800 7.895 8.558) 11.671 2.059 ( 2.751 7.572 -2.358) 8.395 2.213 ( -1.691 4.755 9.274) 10.558 2.384 ( -4.844 2.059 -5.252) 7.436 2.820 ( 10.862 0.184 5.940) 12.381 2.930 ( 6.024 1.104 -4.291) 7.478 5.318 ( -21.559 1.125 9.314) 23.512 5.479 ( -22.543 0.235 -6.688) 23.515 5.789 ( -7.398 3.372 15.072) 17.125 6.127 ( -8.301 3.105 -18.276) 20.312 6.953 ( -4.277 1.862 25.440) 25.865 7.396 ( -5.536 2.586 -19.397) 20.336 13.108 ( 16.545 8.628 28.374) 33.960 13.465 ( 27.112 3.091 -11.197) 29.496 13.667 ( -1.331 15.415 51.924) 54.180 14.864 ( -2.805 22.368 -58.222) 62.434 18.111 ( 7.542 3.814 2.195) 8.732 18.181 ( 11.522 3.225 -4.683) 12.849 20.636 ( -7.184 -3.937 8.139) 11.548 20.767 ( -11.024 -6.226 -4.519) 13.443 21.582 ( -19.235 -6.525 7.936) 21.807 21.665 ( -20.225 -7.512 0.110) 21.576 24.027 ( 16.806 -4.026 19.208) 25.838 24.323 ( 14.583 -6.800 -11.499) 19.777 24.859 ( -6.844 2.831 24.262) 25.367 25.358 ( 2.256 4.358 -23.767) 24.268 26.598 ( -6.326 -1.003 21.517) 22.450 27.046 ( 0.726 6.710 -23.004) 23.973 31.089 ( 12.962 -0.200 7.106) 14.783 31.244 ( 11.383 0.603 -8.561) 14.256 34.172 ( 6.469 -1.607 29.918) 30.652 34.568 ( 7.071 3.367 -3.567) 8.605 35.473 ( -0.597 1.755 4.136) 4.533 35.800 ( -2.412 5.572 -22.692) 23.490 41.875 ( 3.105 -3.905 24.700) 25.199 42.332 ( 1.996 -1.447 -21.627) 21.767 ======================= Grid point 736 (224/245) ======================= q-point: (-0.23 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 0.674 10.028 10.515) 14.546 2.074 ( 2.942 6.596 -4.863) 8.707 2.168 ( -0.852 2.255 8.139) 8.488 2.300 ( -3.035 0.876 -3.549) 4.751 2.989 ( 6.633 1.859 6.999) 9.820 3.038 ( 6.809 3.085 2.205) 7.794 4.951 ( -15.579 0.996 8.169) 17.619 5.106 ( -15.893 0.162 -7.396) 17.531 5.653 ( -4.498 4.449 14.917) 16.203 5.980 ( -5.012 3.627 -17.612) 18.667 6.906 ( -0.245 1.775 22.301) 22.373 7.313 ( -1.957 2.581 -18.789) 19.066 13.274 ( 7.902 16.919 57.675) 60.623 13.549 ( -0.543 6.736 38.123) 38.717 13.910 ( 18.107 1.678 -23.145) 29.434 14.681 ( -3.000 22.204 -58.425) 62.574 18.230 ( 5.750 0.197 6.709) 8.838 18.408 ( 11.873 -0.013 -11.135) 16.277 20.595 ( 1.495 -1.044 2.228) 2.879 20.641 ( -5.104 -2.998 -2.389) 6.383 21.297 ( -14.847 -8.376 8.422) 19.013 21.348 ( -17.482 -7.957 3.189) 19.471 24.301 ( 11.191 -0.974 20.387) 23.277 24.549 ( 6.395 -2.223 -5.047) 8.445 24.690 ( -8.494 2.676 23.722) 25.339 25.311 ( -3.286 4.828 -31.396) 31.935 26.559 ( -0.260 -4.700 25.127) 25.565 27.039 ( 2.043 6.628 -23.541) 24.542 31.273 ( 6.793 0.701 6.218) 9.236 31.398 ( 5.748 1.523 -6.379) 8.720 34.288 ( 4.104 -3.334 29.455) 29.926 34.656 ( 4.406 4.284 -0.556) 6.170 35.453 ( -0.445 1.448 -0.326) 1.549 35.728 ( -1.597 6.098 -21.059) 21.982 41.951 ( 2.145 -4.978 22.249) 22.900 42.372 ( 1.171 -1.718 -20.291) 20.397 ======================= Grid point 737 (225/245) ======================= q-point: (-0.15 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 0.000 10.899 12.866) 16.862 2.071 ( 0.000 6.158 -9.926) 11.681 2.152 ( 0.000 1.025 9.485) 9.540 2.269 ( 0.000 0.031 -2.683) 2.683 3.034 ( 0.000 2.967 10.479) 10.891 3.102 ( 0.000 2.006 3.225) 3.798 4.789 ( 0.000 0.793 7.500) 7.542 4.945 ( 0.000 0.158 -8.117) 8.118 5.583 ( 0.000 4.667 14.814) 15.531 5.910 ( 0.000 3.647 -17.986) 18.352 6.899 ( 0.000 1.563 20.625) 20.685 7.283 ( 0.000 2.500 -18.114) 18.285 13.224 ( 0.000 20.104 71.479) 74.253 13.539 ( 0.000 0.989 29.815) 29.832 14.089 ( 0.000 0.402 -25.434) 25.437 14.521 ( 0.000 20.551 -59.362) 62.819 18.294 ( -0.000 -1.820 9.307) 9.483 18.543 ( -0.000 -1.914 -15.685) 15.802 20.603 ( -0.000 -0.136 -0.119) 0.181 20.640 ( 0.000 0.807 -3.830) 3.914 21.188 ( -0.000 -8.802 8.533) 12.259 21.199 ( -0.000 -7.591 7.156) 10.432 24.457 ( -0.000 -0.040 9.248) 9.248 24.513 ( 0.000 2.940 41.060) 41.165 24.636 ( -0.000 -0.365 -8.816) 8.823 25.241 ( 0.000 4.796 -32.229) 32.584 26.599 ( -0.000 -6.673 22.147) 23.130 27.024 ( 0.000 6.789 -20.954) 22.027 31.332 ( 0.000 0.911 5.720) 5.792 31.442 ( 0.000 1.674 -5.349) 5.605 34.351 ( -0.000 -4.666 28.002) 28.388 34.672 ( 0.000 5.150 2.590) 5.764 35.442 ( 0.000 0.806 -3.260) 3.358 35.677 ( 0.000 6.033 -20.167) 21.050 42.002 ( -0.000 -5.056 20.274) 20.895 42.393 ( -0.000 -1.636 -19.149) 19.219 ======================= Grid point 742 (226/245) ======================= q-point: ( 0.23 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 1.429 -0.000 -1.730) 2.244 1.870 ( 3.680 -0.000 -5.752) 6.829 2.224 ( 1.201 -0.000 0.760) 1.422 2.243 ( -0.333 0.000 -1.261) 1.305 2.825 ( 1.823 -0.000 0.870) 2.020 2.919 ( -0.181 0.000 -8.429) 8.431 6.394 ( 3.032 -0.000 16.500) 16.776 6.617 ( 7.287 -0.000 8.053) 10.860 6.739 ( 2.077 -0.000 -17.486) 17.609 6.782 ( 5.993 -0.000 -8.163) 10.127 7.545 ( 2.826 -0.000 28.153) 28.294 8.009 ( 3.411 -0.000 -18.830) 19.136 11.569 ( -4.947 0.000 15.901) 16.653 11.813 ( -1.773 0.000 -8.925) 9.100 13.713 ( 6.880 -0.000 70.877) 71.210 15.030 ( 9.849 -0.000 -61.360) 62.146 17.849 ( 2.329 -0.000 14.686) 14.869 18.157 ( 4.437 -0.000 -15.263) 15.894 21.480 ( -4.023 0.000 2.835) 4.922 21.510 ( 1.132 -0.000 0.329) 1.179 22.322 ( -1.342 0.000 0.759) 1.542 22.350 ( -5.155 0.000 -2.447) 5.706 23.562 ( 13.263 -0.000 8.253) 15.621 23.676 ( -4.638 0.000 -3.563) 5.849 24.471 ( -5.676 0.000 5.803) 8.117 24.498 ( -12.001 0.000 2.768) 12.316 27.125 ( 4.336 -0.000 1.233) 4.508 27.210 ( 5.528 -0.000 -7.564) 9.369 30.080 ( -6.531 0.000 8.785) 10.947 30.338 ( -5.618 0.000 -17.130) 18.028 33.774 ( -0.898 0.000 27.730) 27.745 34.153 ( -0.331 0.000 -6.389) 6.397 35.486 ( 0.512 -0.000 12.972) 12.982 35.923 ( 2.202 -0.000 -27.188) 27.277 41.671 ( -1.499 0.000 27.673) 27.714 42.176 ( -0.979 0.000 -23.286) 23.307 ======================= Grid point 743 (227/245) ======================= q-point: ( 0.31 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 4.855 0.278 0.071) 4.864 1.967 ( 6.820 0.713 -7.499) 10.162 2.235 ( 0.548 1.097 0.549) 1.344 2.246 ( 0.372 -0.621 -0.554) 0.911 2.830 ( -1.657 -0.576 -0.752) 1.908 2.891 ( -2.928 -0.041 -7.182) 7.756 6.390 ( -3.393 -0.186 16.151) 16.505 6.595 ( -8.077 -0.186 4.932) 9.465 6.771 ( -0.076 0.341 -14.300) 14.304 6.798 ( -4.319 -0.114 -8.092) 9.173 7.555 ( -1.774 0.025 28.107) 28.163 8.021 ( -2.014 0.040 -19.196) 19.301 11.614 ( 9.602 0.095 16.535) 19.121 11.879 ( 8.551 -0.004 -10.872) 13.832 13.843 ( 7.069 0.925 73.670) 74.014 15.194 ( 7.647 1.018 -62.520) 62.994 17.884 ( 1.458 -0.226 15.343) 15.414 18.197 ( -0.148 -0.484 -15.125) 15.134 21.342 ( -10.100 -0.377 8.452) 13.176 21.472 ( -5.154 -0.016 -3.890) 6.457 22.303 ( 0.156 0.179 -0.320) 0.399 22.346 ( 3.889 0.120 -4.579) 6.009 23.483 ( -15.095 -0.242 14.104) 20.660 23.720 ( -0.639 0.472 -9.651) 9.684 24.389 ( 4.777 -0.320 11.443) 12.404 24.514 ( 8.876 -0.123 -0.691) 8.904 27.184 ( 1.295 -0.241 2.055) 2.441 27.290 ( 2.893 0.688 -8.907) 9.390 30.038 ( 2.251 -0.302 9.486) 9.754 30.305 ( 2.337 0.007 -17.255) 17.413 33.783 ( 1.844 0.054 27.763) 27.825 34.171 ( 2.268 0.046 -7.024) 7.381 35.496 ( 0.603 0.041 14.367) 14.380 35.957 ( 1.396 0.174 -28.000) 28.035 41.659 ( 0.111 -0.066 28.024) 28.024 42.171 ( 0.412 -0.029 -23.678) 23.682 ======================= Grid point 744 (228/245) ======================= q-point: (-0.62 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 7.427 2.532 3.004) 8.402 2.094 ( 6.649 3.490 -5.894) 9.546 2.244 ( 1.842 1.418 1.892) 2.997 2.272 ( 2.734 -1.345 -0.764) 3.142 2.770 ( -5.179 -0.789 -2.246) 5.700 2.815 ( -4.973 -0.936 -7.397) 8.962 6.285 ( -7.452 -0.205 14.873) 16.637 6.382 ( -14.022 -0.152 6.934) 15.643 6.625 ( -13.327 0.426 -7.089) 15.101 6.702 ( -7.190 0.293 -16.225) 17.749 7.475 ( -6.784 0.226 27.721) 28.540 7.934 ( -7.103 0.315 -18.867) 20.162 11.909 ( 21.718 0.942 12.685) 25.169 12.116 ( 16.647 0.985 -8.685) 18.802 13.952 ( 5.867 4.291 73.141) 73.501 15.292 ( 4.551 5.038 -61.854) 62.226 17.914 ( 2.088 0.641 12.703) 12.890 18.175 ( -1.793 0.151 -12.874) 12.999 21.131 ( -12.966 -2.722 12.600) 18.283 21.328 ( -10.277 -1.229 -6.836) 12.404 22.318 ( -0.390 0.117 2.511) 2.544 22.411 ( 0.036 -0.378 -7.349) 7.359 23.226 ( -9.002 -1.233 20.856) 22.749 23.587 ( -8.000 -0.483 -15.811) 17.727 24.655 ( 19.239 -0.437 9.119) 21.296 24.724 ( 11.852 -0.293 2.453) 12.106 27.156 ( -4.457 0.654 3.431) 5.662 27.301 ( -0.838 2.317 -11.287) 11.553 30.171 ( 11.321 -1.106 9.682) 14.937 30.428 ( 10.464 -0.513 -16.047) 19.165 33.838 ( 4.075 0.272 28.109) 28.404 34.235 ( 4.726 0.416 -7.287) 8.695 35.507 ( 0.606 0.322 14.455) 14.471 35.971 ( 0.433 0.969 -28.019) 28.039 41.675 ( 1.454 -0.399 28.152) 28.192 42.190 ( 1.565 -0.166 -23.873) 23.925 ======================= Grid point 745 (229/245) ======================= q-point: (-0.54 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 2.747 5.976 3.354) 7.383 2.131 ( 1.572 5.275 -1.621) 5.738 2.308 ( 5.118 2.524 6.554) 8.690 2.397 ( 9.413 -0.619 1.361) 9.531 2.652 ( -7.237 0.006 -3.295) 7.952 2.751 ( -2.055 -3.371 -11.249) 11.922 6.088 ( -17.009 0.399 9.904) 19.686 6.134 ( -8.687 0.143 14.056) 16.525 6.313 ( -19.396 0.512 -6.317) 20.405 6.528 ( -10.366 0.681 -18.882) 21.551 7.308 ( -10.415 0.593 27.564) 29.472 7.765 ( -10.099 0.854 -18.910) 21.455 12.385 ( 29.404 2.093 5.348) 29.959 12.465 ( 21.103 2.142 -2.616) 21.372 14.002 ( 3.395 9.155 70.551) 71.223 15.305 ( 1.762 10.636 -60.140) 61.099 17.960 ( 4.049 2.659 8.469) 9.756 18.143 ( -0.551 2.418 -9.532) 9.849 20.908 ( -12.982 -5.141 13.405) 19.356 21.119 ( -13.091 -3.352 -7.630) 15.518 22.206 ( -12.919 -0.258 4.395) 13.649 22.263 ( -15.699 -2.525 -1.168) 15.944 23.269 ( 11.639 -2.759 16.089) 20.048 23.580 ( 7.507 -3.946 -14.817) 17.073 24.908 ( 7.332 0.444 10.942) 13.178 25.018 ( 18.029 0.508 0.242) 18.038 27.011 ( -9.994 1.590 6.852) 12.221 27.241 ( -3.213 3.753 -15.787) 16.542 30.450 ( 16.987 -1.503 9.344) 19.445 30.681 ( 15.550 -0.825 -13.848) 20.839 33.928 ( 5.721 0.452 28.941) 29.504 34.339 ( 6.737 1.008 -7.333) 10.009 35.513 ( 0.363 0.829 13.108) 13.139 35.960 ( -0.680 2.198 -27.173) 27.270 41.715 ( 2.290 -1.044 27.982) 28.095 42.228 ( 2.179 -0.426 -23.846) 23.949 ======================= Grid point 746 (230/245) ======================= q-point: (-0.46 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -0.409 6.913 5.190) 8.654 2.132 ( 1.567 5.402 -2.529) 6.167 2.334 ( -0.232 5.414 10.469) 11.789 2.514 ( -7.265 -1.434 0.040) 7.405 2.606 ( 12.363 1.483 1.623) 12.557 2.807 ( 5.908 -1.964 -11.914) 13.443 5.734 ( -20.455 0.816 10.043) 22.802 5.913 ( -22.747 0.414 -6.466) 23.652 5.973 ( -8.139 1.143 15.160) 17.245 6.333 ( -9.568 1.385 -19.214) 21.509 7.109 ( -9.444 1.031 27.321) 28.926 7.572 ( -9.247 1.514 -19.609) 21.732 12.845 ( 21.120 3.492 7.492) 22.680 12.953 ( 31.580 2.592 -4.471) 32.001 13.970 ( 0.306 14.102 67.513) 68.971 15.241 ( -0.389 16.124 -58.824) 60.995 18.043 ( 7.161 4.156 3.634) 9.042 18.137 ( 2.516 4.581 -5.556) 7.627 20.718 ( -10.452 -5.528 11.346) 16.387 20.894 ( -13.129 -4.841 -6.115) 15.271 21.876 ( -21.163 -3.163 6.507) 22.365 21.936 ( -20.802 -5.217 0.791) 21.461 23.598 ( 19.563 -3.890 14.577) 24.705 23.871 ( 18.121 -6.637 -12.999) 23.268 24.970 ( -0.271 1.475 19.967) 20.023 25.290 ( 11.428 2.232 -10.551) 15.713 26.791 ( -11.735 1.634 14.018) 18.355 27.160 ( -2.352 4.611 -21.740) 22.347 30.787 ( 17.486 -1.111 8.640) 19.536 30.985 ( 15.850 -0.436 -11.302) 19.472 34.042 ( 6.535 0.313 30.144) 30.846 34.469 ( 7.786 1.679 -7.016) 10.615 35.510 ( -0.086 1.436 10.370) 10.469 35.921 ( -1.686 3.575 -25.636) 25.939 41.770 ( 2.584 -2.064 27.358) 27.557 42.273 ( 2.194 -0.824 -23.533) 23.650 ======================= Grid point 747 (231/245) ======================= q-point: (-0.38 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 0.990 7.113 7.306) 10.245 2.132 ( 1.783 5.011 -4.156) 6.749 2.269 ( -2.740 4.906 9.509) 11.045 2.395 ( -5.724 -0.244 -1.881) 6.030 2.832 ( 12.297 1.915 5.499) 13.606 2.950 ( 8.674 2.312 -5.381) 10.466 5.331 ( -21.518 1.108 8.779) 23.266 5.482 ( -22.620 0.260 -6.233) 23.465 5.822 ( -6.906 2.309 15.366) 17.004 6.158 ( -7.994 2.338 -17.628) 19.497 6.971 ( -4.346 1.323 25.390) 25.793 7.422 ( -5.631 1.910 -19.975) 20.841 13.183 ( 17.100 4.658 20.178) 26.856 13.499 ( 27.458 2.729 -13.063) 30.529 13.860 ( -2.144 17.238 63.611) 65.941 15.112 ( -2.138 20.211 -58.483) 61.913 18.160 ( 6.470 4.547 1.420) 8.034 18.218 ( 9.704 3.063 -4.221) 11.017 20.593 ( -5.253 -3.489 7.364) 9.695 20.703 ( -9.706 -4.722 -3.469) 11.337 21.505 ( -20.957 -6.664 7.743) 23.314 21.575 ( -21.327 -7.905 1.085) 22.771 23.984 ( 18.272 -3.471 16.637) 24.954 24.251 ( 17.066 -5.698 -11.240) 21.215 24.889 ( -6.668 2.363 26.213) 27.151 25.405 ( 2.583 3.608 -23.307) 23.726 26.594 ( -7.798 0.168 24.575) 25.783 27.113 ( 0.277 5.009 -26.778) 27.244 31.087 ( 13.647 -0.173 7.693) 15.667 31.250 ( 12.079 0.544 -8.825) 14.969 34.161 ( 6.040 -0.363 31.294) 31.874 34.600 ( 7.187 2.293 -6.011) 9.646 35.495 ( -0.437 1.940 6.580) 6.874 35.860 ( -2.069 4.802 -23.807) 24.375 41.832 ( 2.387 -3.428 26.126) 26.458 42.316 ( 1.749 -1.326 -22.878) 22.983 ======================= Grid point 748 (232/245) ======================= q-point: (-0.31 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 1.656 8.244 8.145) 11.706 2.143 ( 2.190 4.889 -5.453) 7.644 2.197 ( -2.165 2.995 8.879) 9.617 2.307 ( -3.622 0.196 -2.202) 4.244 3.019 ( 8.428 3.355 7.447) 11.736 3.084 ( 7.442 4.917 1.289) 9.012 4.963 ( -15.658 1.113 7.608) 17.445 5.108 ( -15.900 0.193 -6.954) 17.355 5.699 ( -4.202 3.510 15.131) 16.091 6.018 ( -4.928 3.066 -16.286) 17.290 6.925 ( -0.424 1.385 22.143) 22.190 7.340 ( -2.118 2.007 -19.444) 19.662 13.416 ( 11.294 7.194 35.223) 37.682 13.687 ( -3.538 17.150 60.151) 62.648 13.929 ( 16.885 1.563 -21.804) 27.621 14.941 ( -2.747 22.454 -58.623) 62.836 18.243 ( 4.400 2.183 6.018) 7.768 18.409 ( 9.951 0.205 -10.654) 14.580 20.583 ( 3.007 -1.082 1.751) 3.644 20.607 ( -2.732 -2.763 -0.758) 3.959 21.193 ( -16.524 -9.457 8.612) 20.896 21.250 ( -17.971 -9.062 2.903) 20.335 24.289 ( 12.845 -1.125 18.143) 22.259 24.525 ( 9.186 -1.974 -7.059) 11.752 24.721 ( -8.999 2.634 27.804) 29.343 25.366 ( -2.931 4.632 -32.018) 32.484 26.516 ( -1.753 -2.898 30.942) 31.127 27.106 ( 1.559 5.064 -28.870) 29.352 31.282 ( 7.231 0.773 6.749) 9.922 31.416 ( 6.192 1.565 -6.780) 9.314 34.261 ( 3.774 -1.488 31.789) 32.046 34.697 ( 4.447 2.869 -4.227) 6.773 35.474 ( -0.393 2.143 2.615) 3.404 35.796 ( -1.432 5.682 -22.206) 22.966 41.894 ( 1.598 -4.814 24.370) 24.893 42.351 ( 1.003 -1.783 -21.932) 22.027 ======================= Grid point 749 (233/245) ======================= q-point: (-0.23 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.000 10.378 9.615) 14.148 2.140 ( 0.000 5.513 -7.540) 9.340 2.166 ( 0.000 1.301 8.676) 8.773 2.269 ( -0.000 -0.033 -2.011) 2.011 3.077 ( 0.000 4.537 9.618) 10.635 3.137 ( 0.000 4.332 3.617) 5.644 4.799 ( 0.000 0.971 7.043) 7.110 4.947 ( 0.000 0.174 -7.737) 7.739 5.635 ( 0.000 4.345 14.862) 15.484 5.952 ( 0.000 3.474 -16.441) 16.804 6.917 ( 0.000 1.466 20.585) 20.637 7.310 ( 0.000 2.210 -18.833) 18.962 13.479 ( 0.000 23.700 71.948) 75.751 13.551 ( 0.000 1.195 29.217) 29.242 14.094 ( 0.000 0.485 -25.284) 25.289 14.777 ( 0.000 23.429 -59.161) 63.632 18.282 ( -0.000 -0.037 8.905) 8.905 18.521 ( -0.000 -1.811 -15.124) 15.232 20.602 ( -0.000 -0.163 0.739) 0.757 20.650 ( 0.000 0.934 -4.166) 4.269 21.070 ( -0.000 -11.509 9.654) 15.022 21.101 ( -0.000 -9.473 6.307) 11.381 24.456 ( -0.000 -0.015 8.839) 8.839 24.551 ( 0.000 3.480 41.740) 41.885 24.632 ( -0.000 -0.432 -8.812) 8.823 25.299 ( 0.000 5.244 -33.712) 34.117 26.531 ( -0.000 -5.154 29.722) 30.166 27.094 ( 0.000 5.450 -27.528) 28.063 31.343 ( 0.000 1.137 6.208) 6.311 31.463 ( 0.000 1.970 -5.801) 6.126 34.310 ( -0.000 -2.650 31.160) 31.273 34.722 ( 0.000 3.583 -2.208) 4.208 35.458 ( 0.000 1.936 -0.018) 1.936 35.748 ( 0.000 6.155 -21.247) 22.121 41.940 ( -0.000 -5.524 22.742) 23.403 42.372 ( -0.000 -1.953 -20.935) 21.025 ======================= Grid point 756 (234/245) ======================= q-point: (-0.69 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 8.251 -0.000 3.349) 8.904 2.116 ( 7.398 -0.000 -6.296) 9.714 2.257 ( 1.407 -0.000 0.484) 1.488 2.258 ( 2.667 -0.000 0.873) 2.806 2.764 ( -4.993 0.000 -2.288) 5.493 2.810 ( -5.414 0.000 -7.526) 9.271 6.283 ( -7.357 0.000 14.895) 16.613 6.381 ( -13.937 0.000 6.868) 15.538 6.628 ( -13.352 0.000 -7.042) 15.096 6.703 ( -7.121 0.000 -16.237) 17.730 7.477 ( -6.731 0.000 27.715) 28.521 7.936 ( -7.028 0.000 -18.923) 20.186 11.914 ( 21.906 -0.000 12.684) 25.313 12.121 ( 16.857 -0.000 -8.736) 18.986 13.977 ( 6.614 -0.000 73.406) 73.703 15.321 ( 5.432 -0.000 -62.081) 62.318 17.918 ( 2.474 -0.000 12.651) 12.891 18.175 ( -1.414 0.000 -12.607) 12.686 21.116 ( -13.423 0.000 13.019) 18.700 21.321 ( -10.646 0.000 -7.278) 12.896 22.319 ( -0.433 0.000 2.217) 2.259 22.409 ( -0.242 0.000 -7.317) 7.321 23.219 ( -9.283 0.000 21.229) 23.170 23.584 ( -8.644 0.000 -15.928) 18.123 24.653 ( 19.528 -0.000 9.152) 21.567 24.723 ( 11.867 -0.000 2.478) 12.124 27.160 ( -4.209 0.000 3.868) 5.717 27.314 ( -0.655 0.000 -11.859) 11.877 30.165 ( 11.248 -0.000 9.914) 14.993 30.425 ( 10.373 -0.000 -16.174) 19.215 33.840 ( 4.115 -0.000 28.092) 28.392 34.238 ( 4.817 -0.000 -7.352) 8.789 35.509 ( 0.687 -0.000 14.683) 14.699 35.977 ( 0.620 -0.000 -28.156) 28.163 41.673 ( 1.363 -0.000 28.215) 28.248 42.189 ( 1.528 -0.000 -23.944) 23.992 ======================= Grid point 758 (235/245) ======================= q-point: (-0.62 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 3.690 2.964 2.597) 5.399 2.171 ( 0.477 1.530 -1.304) 2.066 2.328 ( 7.086 0.987 7.127) 10.098 2.387 ( 8.562 -0.795 3.806) 9.403 2.656 ( -6.054 0.380 -5.111) 7.933 2.721 ( -2.855 -1.569 -12.089) 12.520 6.091 ( -16.987 0.147 9.811) 19.617 6.135 ( -8.275 0.006 14.250) 16.479 6.317 ( -19.462 0.182 -6.253) 20.442 6.533 ( -10.261 0.223 -18.973) 21.572 7.312 ( -10.323 0.196 27.572) 29.442 7.772 ( -9.949 0.284 -19.088) 21.527 12.401 ( 29.666 0.722 5.237) 30.133 12.481 ( 21.154 0.679 -2.859) 21.357 14.075 ( 4.566 3.348 71.522) 71.746 15.390 ( 2.972 3.852 -60.571) 60.766 17.981 ( 4.661 0.943 8.497) 9.737 18.160 ( 0.242 0.703 -9.112) 9.142 20.868 ( -13.098 -1.831 14.010) 19.267 21.094 ( -13.495 -1.105 -8.610) 16.046 22.206 ( -12.911 0.182 3.426) 13.359 22.241 ( -17.195 -1.172 0.364) 17.239 23.248 ( 11.433 -0.945 15.483) 19.270 23.551 ( 6.442 -1.296 -14.517) 15.935 24.912 ( 7.600 0.136 11.087) 13.443 25.021 ( 18.632 0.130 0.368) 18.636 27.024 ( -9.914 0.565 7.516) 12.454 27.270 ( -3.224 1.307 -16.840) 17.195 30.438 ( 17.162 -0.546 9.740) 19.740 30.675 ( 15.658 -0.282 -14.011) 21.013 33.932 ( 5.734 0.188 28.961) 29.524 34.347 ( 6.870 0.339 -7.603) 10.253 35.520 ( 0.524 0.304 13.767) 13.780 35.977 ( -0.375 0.782 -27.554) 27.568 41.707 ( 2.068 -0.373 28.213) 28.291 42.224 ( 2.090 -0.153 -24.096) 24.187 ======================= Grid point 759 (236/245) ======================= q-point: (-0.54 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -0.494 5.153 3.247) 6.111 2.176 ( 0.655 2.109 -1.813) 2.857 2.389 ( -0.812 4.108 10.644) 11.438 2.476 ( -4.497 -3.997 7.768) 9.826 2.635 ( 9.812 2.336 -3.980) 10.843 2.790 ( 8.652 -0.996 -13.330) 15.923 5.742 ( -20.322 0.457 9.898) 22.609 5.917 ( -22.863 0.233 -6.026) 23.645 5.983 ( -7.815 0.488 15.149) 17.054 6.344 ( -9.323 0.671 -19.213) 21.366 7.118 ( -9.406 0.487 27.367) 28.942 7.585 ( -9.164 0.746 -19.933) 21.951 12.873 ( 20.995 1.560 6.358) 21.992 12.977 ( 31.642 1.452 -4.461) 31.988 14.100 ( 1.433 8.100 69.633) 70.117 15.386 ( 0.547 8.953 -59.056) 59.734 18.082 ( 7.227 2.415 3.784) 8.508 18.178 ( 2.679 2.433 -5.546) 6.622 20.668 ( -9.480 -3.075 11.703) 15.371 20.853 ( -12.784 -2.323 -6.939) 14.731 21.847 ( -22.935 -1.787 6.213) 23.829 21.886 ( -21.829 -3.210 2.244) 22.177 23.565 ( 19.656 -2.010 12.870) 23.581 23.813 ( 18.264 -3.463 -12.330) 22.307 24.983 ( 0.085 0.753 20.744) 20.757 25.309 ( 11.964 1.103 -10.274) 15.809 26.807 ( -12.054 1.006 14.813) 19.124 27.201 ( -2.589 2.385 -23.302) 23.567 30.777 ( 17.939 -0.626 9.096) 20.123 30.981 ( 16.247 -0.230 -11.463) 19.885 34.046 ( 6.459 0.339 30.347) 31.028 34.483 ( 7.877 0.829 -7.633) 10.999 35.523 ( 0.112 0.841 11.530) 11.561 35.953 ( -1.373 1.954 -26.291) 26.400 41.751 ( 2.192 -1.131 27.906) 28.015 42.265 ( 2.041 -0.458 -24.088) 24.179 ======================= Grid point 760 (237/245) ======================= q-point: (-0.46 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.711 5.869 5.418) 8.019 2.174 ( 0.705 2.369 -2.898) 3.809 2.316 ( -3.636 3.039 7.168) 8.593 2.381 ( -5.567 -1.735 1.489) 6.019 2.858 ( 13.144 2.266 5.126) 14.289 2.979 ( 10.977 2.545 -6.167) 12.846 5.342 ( -21.461 0.813 8.329) 23.035 5.484 ( -22.683 0.201 -5.836) 23.422 5.842 ( -6.617 1.201 15.755) 17.131 6.179 ( -7.752 1.404 -17.224) 18.940 6.983 ( -4.459 0.684 25.343) 25.741 7.439 ( -5.774 1.075 -20.414) 21.242 13.221 ( 16.906 2.214 17.268) 24.267 13.526 ( 27.220 1.837 -14.012) 30.670 14.036 ( -1.663 12.855 68.398) 69.616 15.309 ( -1.820 13.727 -58.254) 59.877 18.210 ( 6.507 3.992 0.178) 7.636 18.248 ( 7.868 2.033 -3.397) 8.808 20.558 ( -3.748 -2.467 7.418) 8.669 20.663 ( -8.560 -2.355 -3.235) 9.449 21.437 ( -22.462 -5.062 7.497) 24.215 21.492 ( -22.382 -6.237 2.114) 23.331 23.950 ( 19.277 -2.297 14.732) 24.371 24.196 ( 18.893 -3.724 -11.056) 22.204 24.912 ( -6.470 1.560 27.725) 28.513 25.439 ( 2.910 2.308 -22.773) 23.074 26.599 ( -8.776 0.554 25.988) 27.435 27.159 ( -0.165 3.014 -29.116) 29.272 31.085 ( 14.218 -0.116 8.158) 16.393 31.256 ( 12.634 0.377 -9.046) 15.544 34.161 ( 5.866 0.251 31.896) 32.432 34.620 ( 7.160 1.277 -7.102) 10.165 35.515 ( -0.257 1.478 8.199) 8.335 35.907 ( -1.849 3.213 -24.707) 24.983 41.799 ( 1.867 -2.296 27.185) 27.345 42.303 ( 1.554 -0.916 -23.841) 23.909 ======================= Grid point 761 (238/245) ======================= q-point: (-0.38 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 1.933 6.177 6.110) 8.901 2.179 ( 1.132 1.799 -2.472) 3.260 2.235 ( -2.962 3.141 5.541) 7.024 2.303 ( -3.494 -0.726 -0.365) 3.587 3.061 ( 9.555 3.759 7.990) 13.010 3.145 ( 8.468 5.306 0.128) 9.994 4.975 ( -15.755 0.968 7.058) 17.291 5.110 ( -15.935 0.167 -6.514) 17.216 5.731 ( -3.988 2.098 15.624) 16.261 6.048 ( -4.840 2.144 -15.255) 16.147 6.937 ( -0.600 0.732 21.917) 21.937 7.358 ( -2.325 1.159 -19.970) 20.139 13.465 ( 10.460 2.476 26.755) 28.834 13.888 ( 0.871 15.037 55.120) 57.141 13.950 ( 12.598 3.175 -8.107) 15.313 15.172 ( -2.741 17.464 -58.038) 60.670 18.278 ( 3.712 3.788 4.273) 6.810 18.413 ( 8.453 0.340 -9.296) 12.569 20.569 ( 3.655 -1.501 2.224) 4.534 20.582 ( -0.718 -1.400 0.259) 1.595 21.090 ( -18.006 -8.147 8.446) 21.492 21.149 ( -18.214 -8.289 2.749) 20.199 24.277 ( 14.254 -0.970 16.387) 21.741 24.505 ( 11.467 -1.488 -8.606) 14.415 24.749 ( -9.179 2.126 30.973) 32.374 25.413 ( -2.657 3.452 -32.204) 32.498 26.492 ( -3.020 -1.349 34.399) 34.558 27.153 ( 1.086 3.262 -32.402) 32.584 31.290 ( 7.649 0.658 7.210) 10.532 31.433 ( 6.611 1.265 -7.127) 9.803 34.252 ( 3.609 -0.191 32.985) 33.182 34.722 ( 4.364 1.629 -5.969) 7.571 35.499 ( -0.285 2.028 4.655) 5.085 35.854 ( -1.336 4.315 -23.267) 23.701 41.845 ( 1.168 -3.666 26.079) 26.362 42.333 ( 0.850 -1.431 -23.318) 23.377 ======================= Grid point 762 (239/245) ======================= q-point: (-0.31 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 0.000 7.727 6.693) 10.223 2.181 ( 0.000 1.329 7.704) 7.817 2.191 ( 0.000 3.297 -5.133) 6.101 2.268 ( -0.000 -0.139 -1.181) 1.189 3.132 ( 0.000 4.874 9.316) 10.514 3.199 ( 0.000 6.138 3.176) 6.910 4.810 ( 0.000 0.932 6.538) 6.604 4.949 ( 0.000 0.144 -7.314) 7.315 5.678 ( 0.000 2.986 15.232) 15.522 5.987 ( 0.000 2.690 -14.984) 15.224 6.930 ( 0.000 0.888 20.345) 20.364 7.331 ( 0.000 1.385 -19.441) 19.491 13.565 ( 0.000 1.128 28.580) 28.602 13.742 ( 0.000 21.561 72.027) 75.185 14.100 ( 0.000 0.457 -25.125) 25.130 15.033 ( 0.000 20.512 -58.386) 61.884 18.297 ( 0.000 2.615 7.348) 7.799 18.504 ( -0.000 -1.077 -13.566) 13.608 20.600 ( -0.000 -0.165 1.637) 1.645 20.660 ( 0.000 0.853 -4.508) 4.588 20.934 ( -0.000 -11.876 11.225) 16.342 20.991 ( -0.000 -9.437 5.168) 10.759 24.456 ( 0.000 0.021 8.393) 8.393 24.590 ( 0.000 3.193 42.310) 42.430 24.627 ( -0.000 -0.398 -8.794) 8.803 25.355 ( 0.000 4.379 -34.879) 35.153 26.483 ( -0.000 -3.235 35.164) 35.312 27.147 ( 0.000 3.726 -32.265) 32.479 31.356 ( 0.000 1.099 6.680) 6.770 31.485 ( 0.000 1.815 -6.236) 6.495 34.290 ( -0.000 -0.872 33.003) 33.015 34.754 ( 0.000 2.121 -4.889) 5.329 35.483 ( 0.000 2.282 2.499) 3.384 35.813 ( 0.000 5.166 -22.376) 22.965 41.881 ( -0.000 -4.709 24.938) 25.379 42.350 ( -0.000 -1.786 -22.601) 22.672 ======================= Grid point 771 (240/245) ======================= q-point: (-0.62 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -0.730 0.000 1.335) 1.521 2.183 ( 0.515 -0.000 -0.351) 0.624 2.426 ( -2.149 0.000 12.312) 12.498 2.438 ( -2.583 0.000 7.495) 7.928 2.649 ( 8.724 -0.000 -4.393) 9.768 2.784 ( 10.021 -0.000 -13.983) 17.203 5.745 ( -20.270 0.000 9.847) 22.535 5.919 ( -22.901 0.000 -5.855) 23.638 5.985 ( -7.714 0.000 15.144) 16.996 6.348 ( -9.243 0.000 -19.222) 21.329 7.121 ( -9.403 0.000 27.383) 28.953 7.589 ( -9.143 0.000 -20.046) 22.032 12.882 ( 20.946 -0.000 6.122) 21.822 12.985 ( 31.661 -0.000 -4.507) 31.980 14.147 ( 1.839 -0.000 70.246) 70.270 15.438 ( 0.839 -0.000 -59.129) 59.135 18.096 ( 7.261 -0.000 3.786) 8.189 18.192 ( 2.816 -0.000 -5.481) 6.162 20.650 ( -9.128 0.000 11.898) 14.996 20.840 ( -12.610 0.000 -7.332) 14.587 21.837 ( -23.768 0.000 6.134) 24.547 21.867 ( -22.085 0.000 2.782) 22.259 23.553 ( 19.681 -0.000 12.280) 23.198 23.793 ( 18.293 -0.000 -12.100) 21.932 24.987 ( 0.217 -0.000 21.007) 21.008 25.316 ( 12.161 -0.000 -10.166) 15.851 26.812 ( -12.145 0.000 15.039) 19.330 27.214 ( -2.689 0.000 -23.818) 23.969 30.773 ( 18.104 -0.000 9.262) 20.336 30.980 ( 16.384 -0.000 -11.527) 20.033 34.048 ( 6.453 -0.000 30.382) 31.060 34.488 ( 7.899 -0.000 -7.788) 11.092 35.528 ( 0.187 -0.000 11.919) 11.920 35.964 ( -1.267 0.000 -26.526) 26.556 41.745 ( 2.057 -0.000 28.097) 28.172 42.263 ( 1.987 -0.000 -24.284) 24.365 ======================= Grid point 773 (241/245) ======================= q-point: (-0.54 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 0.438 3.092 3.050) 4.365 2.188 ( 0.196 0.172 -1.069) 1.100 2.334 ( -5.146 0.146 6.455) 8.256 2.367 ( -4.335 -0.405 2.803) 5.178 2.878 ( 13.548 0.967 5.057) 14.493 3.002 ( 12.204 1.113 -6.581) 13.910 5.348 ( -21.419 0.299 8.070) 22.891 5.486 ( -22.717 0.075 -5.603) 23.398 5.850 ( -6.497 0.353 16.036) 17.305 6.190 ( -7.613 0.465 -17.057) 18.685 6.987 ( -4.546 0.196 25.325) 25.731 7.446 ( -5.877 0.335 -20.651) 21.473 13.236 ( 16.751 0.660 16.507) 23.527 13.540 ( 26.994 0.646 -14.421) 30.611 14.139 ( -1.274 4.678 69.957) 70.124 15.416 ( -1.754 4.819 -57.984) 58.210 18.245 ( 8.026 1.954 -1.113) 8.335 18.262 ( 5.649 0.354 -2.416) 6.155 20.539 ( -2.985 -0.889 7.833) 8.429 20.647 ( -7.841 -0.601 -3.470) 8.596 21.396 ( -23.268 -1.889 7.304) 24.461 21.441 ( -23.165 -2.427 2.822) 23.462 23.933 ( 19.772 -0.798 13.734) 24.087 24.168 ( 19.846 -1.288 -10.952) 22.704 24.924 ( -6.341 0.544 28.528) 29.229 25.456 ( 3.104 0.786 -22.409) 22.637 26.604 ( -9.244 0.272 26.436) 28.006 27.182 ( -0.433 0.996 -30.205) 30.225 31.084 ( 14.542 -0.040 8.413) 16.801 31.259 ( 12.941 0.135 -9.174) 15.863 34.164 ( 5.824 0.181 32.064) 32.589 34.630 ( 7.111 0.403 -7.404) 10.273 35.526 ( -0.143 0.548 8.972) 8.990 35.932 ( -1.743 1.127 -25.209) 25.294 41.781 ( 1.601 -0.803 27.739) 27.797 42.296 ( 1.448 -0.325 -24.358) 24.404 ======================= Grid point 774 (242/245) ======================= q-point: (-0.46 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 1.652 4.326 3.788) 5.982 2.191 ( 0.462 0.494 -0.034) 0.677 2.254 ( -3.329 -0.057 3.996) 5.201 2.297 ( -3.058 0.031 0.792) 3.159 3.098 ( 10.121 2.457 8.452) 13.413 3.197 ( 9.291 3.443 -0.882) 9.948 4.984 ( -15.835 0.566 6.650) 17.184 5.111 ( -15.973 0.095 -6.187) 17.130 5.748 ( -3.878 0.894 16.164) 16.647 6.067 ( -4.761 1.098 -14.687) 15.478 6.942 ( -0.735 0.247 21.751) 21.765 7.367 ( -2.498 0.472 -20.311) 20.470 13.483 ( 9.876 0.983 25.068) 26.961 13.947 ( 16.121 0.932 -20.653) 26.216 14.057 ( -2.569 9.419 69.202) 69.887 15.327 ( -2.875 9.333 -57.278) 58.105 18.321 ( 3.638 3.321 2.126) 5.365 18.415 ( 7.643 0.051 -7.567) 10.755 20.553 ( 3.831 -1.007 3.550) 5.319 20.572 ( 0.047 -0.574 0.544) 0.793 21.017 ( -18.747 -4.456 7.582) 20.708 21.069 ( -18.255 -5.303 2.966) 19.239 24.268 ( 15.187 -0.554 15.316) 21.577 24.492 ( 12.934 -0.799 -9.526) 16.083 24.768 ( -9.199 1.184 32.881) 34.164 25.443 ( -2.512 1.794 -32.055) 32.203 26.483 ( -3.832 -0.423 35.916) 36.122 27.180 ( 0.749 1.556 -34.324) 34.368 31.296 ( 7.947 0.377 7.516) 10.945 31.444 ( 6.906 0.704 -7.360) 10.118 34.253 ( 3.549 0.228 33.415) 33.604 34.735 ( 4.261 0.697 -6.424) 7.740 35.518 ( -0.188 1.212 5.738) 5.868 35.892 ( -1.285 2.318 -24.016) 24.162 41.813 ( 0.906 -1.952 27.148) 27.233 42.320 ( 0.747 -0.786 -24.223) 24.247 ======================= Grid point 775 (243/245) ======================= q-point: (-0.38 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 0.000 5.001 4.163) 6.507 2.195 ( 0.000 1.050 6.747) 6.828 2.214 ( 0.000 0.899 -2.793) 2.934 2.266 ( -0.000 -0.208 -0.339) 0.398 3.183 ( 0.000 3.813 9.675) 10.399 3.267 ( 0.000 5.362 1.993) 5.720 4.820 ( 0.000 0.673 6.101) 6.138 4.950 ( 0.000 0.088 -6.944) 6.944 5.703 ( 0.000 1.543 15.838) 15.913 6.012 ( 0.000 1.691 -14.011) 14.113 6.937 ( 0.000 0.330 20.086) 20.089 7.342 ( 0.000 0.621 -19.875) 19.884 13.576 ( 0.000 0.801 28.049) 28.061 13.953 ( 0.000 14.726 71.766) 73.261 14.104 ( 0.000 0.324 -24.994) 24.996 15.230 ( 0.000 13.517 -57.320) 58.893 18.336 ( 0.000 3.940 4.910) 6.296 18.496 ( -0.000 -0.459 -11.304) 11.313 20.598 ( -0.000 -0.127 2.378) 2.382 20.669 ( 0.000 0.593 -4.788) 4.825 20.811 ( -0.000 -9.214 12.872) 15.830 20.894 ( -0.000 -7.093 4.028) 8.157 24.457 ( 0.000 0.035 8.014) 8.014 24.621 ( 0.000 2.208 42.683) 42.740 24.623 ( -0.000 -0.278 -8.768) 8.772 25.396 ( 0.000 2.760 -35.403) 35.510 26.456 ( -0.000 -1.572 38.216) 38.248 27.180 ( 0.000 2.077 -35.151) 35.212 31.368 ( 0.000 0.793 7.042) 7.087 31.503 ( 0.000 1.267 -6.569) 6.690 34.286 ( 0.000 0.078 33.811) 33.811 34.772 ( 0.000 1.022 -5.781) 5.870 35.507 ( 0.000 1.777 3.975) 4.354 35.863 ( 0.000 3.411 -23.313) 23.561 41.836 ( -0.000 -3.082 26.492) 26.671 42.333 ( -0.000 -1.225 -23.843) 23.874 ======================= Grid point 786 (244/245) ======================= q-point: (-0.54 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 1.624 -0.000 1.765) 2.398 2.192 ( 0.359 -0.000 0.527) 0.638 2.248 ( -3.485 0.000 5.627) 6.619 2.300 ( -3.057 0.000 0.544) 3.105 3.113 ( 10.291 -0.000 8.635) 13.434 3.217 ( 9.593 -0.000 -1.284) 9.679 4.988 ( -15.865 0.000 6.498) 17.144 5.112 ( -15.990 0.000 -6.065) 17.101 5.753 ( -3.846 0.000 16.401) 16.846 6.073 ( -4.729 0.000 -14.518) 15.268 6.943 ( -0.785 0.000 21.694) 21.708 7.370 ( -2.566 0.000 -20.430) 20.591 13.489 ( 9.720 -0.000 24.737) 26.578 13.952 ( 16.059 -0.000 -22.050) 27.278 14.112 ( -2.535 0.000 70.820) 70.865 15.381 ( -2.952 0.000 -56.942) 57.019 18.343 ( 3.664 -0.000 1.036) 3.807 18.415 ( 7.460 -0.000 -6.663) 10.003 20.548 ( 4.217 -0.000 4.223) 5.968 20.568 ( -0.307 0.000 0.667) 0.735 20.991 ( -18.851 0.000 6.854) 20.058 21.037 ( -18.251 0.000 3.281) 18.543 24.265 ( 15.513 -0.000 14.961) 21.552 24.487 ( 13.438 -0.000 -9.826) 16.647 24.775 ( -9.190 0.000 33.510) 34.748 25.453 ( -2.472 0.000 -31.939) 32.034 26.481 ( -4.106 0.000 36.291) 36.523 27.189 ( 0.628 -0.000 -34.922) 34.927 31.298 ( 8.055 -0.000 7.623) 11.091 31.448 ( 7.013 -0.000 -7.442) 10.226 34.255 ( 3.537 -0.000 33.497) 33.683 34.739 ( 4.216 -0.000 -6.449) 7.705 35.525 ( -0.150 0.000 6.064) 6.066 35.905 ( -1.270 0.000 -24.286) 24.319 41.802 ( 0.819 -0.000 27.508) 27.520 42.315 ( 0.712 -0.000 -24.535) 24.546 ======================= Grid point 788 (245/245) ======================= q-point: (-0.46 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 0.000 2.876 1.817) 3.402 2.203 ( 0.000 0.417 6.097) 6.111 2.213 ( -0.000 -1.081 -0.484) 1.184 2.264 ( -0.000 -0.114 0.247) 0.272 3.214 ( 0.000 1.453 10.047) 10.152 3.311 ( 0.000 2.102 1.076) 2.362 4.825 ( 0.000 0.246 5.846) 5.851 4.951 ( 0.000 0.029 -6.725) 6.725 5.714 ( 0.000 0.449 16.313) 16.320 6.026 ( 0.000 0.578 -13.570) 13.582 6.939 ( 0.000 0.058 19.933) 19.933 7.346 ( 0.000 0.156 -20.102) 20.103 13.583 ( 0.000 0.289 27.749) 27.750 14.068 ( 0.000 5.182 71.486) 71.674 14.107 ( 0.000 0.117 -24.920) 24.920 15.334 ( 0.000 4.652 -56.559) 56.750 18.374 ( 0.000 2.054 2.833) 3.500 18.492 ( -0.000 -0.223 -9.419) 9.421 20.597 ( -0.000 -0.048 2.796) 2.797 20.673 ( 0.000 0.212 -4.946) 4.950 20.736 ( -0.000 -3.527 13.988) 14.426 20.837 ( -0.000 -2.659 3.285) 4.226 24.457 ( 0.000 0.017 7.797) 7.797 24.621 ( -0.000 -0.099 -8.749) 8.749 24.638 ( 0.000 0.784 42.860) 42.867 25.417 ( 0.000 0.923 -35.475) 35.487 26.445 ( -0.000 -0.436 39.412) 39.415 27.195 ( 0.000 0.655 -36.470) 36.476 31.374 ( 0.000 0.288 7.237) 7.242 31.513 ( 0.000 0.454 -6.747) 6.762 34.288 ( 0.000 0.151 34.037) 34.037 34.779 ( 0.000 0.288 -5.842) 5.850 35.522 ( 0.000 0.666 4.599) 4.647 35.889 ( 0.000 1.190 -23.844) 23.874 41.812 ( -0.000 -1.064 27.279) 27.300 42.323 ( -0.000 -0.433 -24.496) 24.500 =================== 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 3/54756 10.0 497.726 1691.565 441.291 0.000 0.000 0.000 3/54756 20.0 84.836 139.427 91.101 0.000 0.000 0.000 3/54756 30.0 38.966 54.106 41.977 0.000 0.000 0.000 3/54756 40.0 24.843 31.293 26.042 0.000 0.000 0.000 3/54756 50.0 18.132 21.327 18.450 0.000 0.000 0.000 3/54756 60.0 14.309 15.929 14.209 0.000 0.000 0.000 3/54756 70.0 11.882 12.609 11.584 0.000 0.000 0.000 3/54756 80.0 10.212 10.384 9.826 0.000 0.000 0.000 3/54756 90.0 8.990 8.800 8.572 0.000 0.000 0.000 3/54756 100.0 8.050 7.618 7.632 0.000 0.000 0.000 3/54756 110.0 7.300 6.706 6.900 0.000 0.000 0.000 3/54756 120.0 6.684 5.981 6.310 0.000 0.000 0.000 3/54756 130.0 6.166 5.392 5.823 0.000 0.000 0.000 3/54756 140.0 5.722 4.904 5.412 0.000 0.000 0.000 3/54756 150.0 5.337 4.494 5.060 0.000 0.000 0.000 3/54756 160.0 5.000 4.145 4.754 0.000 0.000 0.000 3/54756 170.0 4.700 3.844 4.485 0.000 0.000 0.000 3/54756 180.0 4.433 3.583 4.246 0.000 0.000 0.000 3/54756 190.0 4.192 3.353 4.032 0.000 0.000 0.000 3/54756 200.0 3.975 3.150 3.839 0.000 0.000 0.000 3/54756 210.0 3.778 2.970 3.665 0.000 0.000 0.000 3/54756 220.0 3.599 2.808 3.506 0.000 0.000 0.000 3/54756 230.0 3.434 2.663 3.361 0.000 0.000 0.000 3/54756 240.0 3.284 2.532 3.227 0.000 0.000 0.000 3/54756 250.0 3.145 2.413 3.104 0.000 0.000 0.000 3/54756 260.0 3.017 2.304 2.991 0.000 0.000 0.000 3/54756 270.0 2.898 2.205 2.886 0.000 0.000 0.000 3/54756 280.0 2.788 2.114 2.788 0.000 0.000 0.000 3/54756 290.0 2.686 2.030 2.697 0.000 0.000 0.000 3/54756 300.0 2.591 1.952 2.611 0.000 0.000 0.000 3/54756 310.0 2.502 1.880 2.532 0.000 0.000 0.000 3/54756 320.0 2.418 1.813 2.457 0.000 0.000 0.000 3/54756 330.0 2.340 1.751 2.386 0.000 0.000 0.000 3/54756 340.0 2.267 1.693 2.320 0.000 0.000 0.000 3/54756 350.0 2.198 1.639 2.258 0.000 0.000 0.000 3/54756 360.0 2.133 1.588 2.199 0.000 0.000 0.000 3/54756 370.0 2.072 1.540 2.143 0.000 0.000 0.000 3/54756 380.0 2.014 1.495 2.090 0.000 0.000 0.000 3/54756 390.0 1.959 1.453 2.039 0.000 0.000 0.000 3/54756 400.0 1.907 1.413 1.991 0.000 0.000 0.000 3/54756 410.0 1.858 1.375 1.946 0.000 0.000 0.000 3/54756 420.0 1.811 1.339 1.902 0.000 0.000 0.000 3/54756 430.0 1.767 1.305 1.860 0.000 0.000 0.000 3/54756 440.0 1.724 1.272 1.821 0.000 0.000 0.000 3/54756 450.0 1.684 1.242 1.783 0.000 0.000 0.000 3/54756 460.0 1.645 1.212 1.746 0.000 0.000 0.000 3/54756 470.0 1.608 1.185 1.711 0.000 0.000 0.000 3/54756 480.0 1.573 1.158 1.678 0.000 0.000 0.000 3/54756 490.0 1.540 1.133 1.646 0.000 0.000 0.000 3/54756 500.0 1.507 1.108 1.615 0.000 0.000 0.000 3/54756 510.0 1.476 1.085 1.585 0.000 0.000 0.000 3/54756 520.0 1.447 1.063 1.556 0.000 0.000 0.000 3/54756 530.0 1.418 1.041 1.529 0.000 0.000 0.000 3/54756 540.0 1.391 1.021 1.502 0.000 0.000 0.000 3/54756 550.0 1.364 1.001 1.476 0.000 0.000 0.000 3/54756 560.0 1.339 0.982 1.451 0.000 0.000 0.000 3/54756 570.0 1.315 0.964 1.427 0.000 0.000 0.000 3/54756 580.0 1.291 0.946 1.404 0.000 0.000 0.000 3/54756 590.0 1.268 0.929 1.382 0.000 0.000 0.000 3/54756 600.0 1.246 0.913 1.360 0.000 0.000 0.000 3/54756 610.0 1.225 0.897 1.339 0.000 0.000 0.000 3/54756 620.0 1.205 0.882 1.318 0.000 0.000 0.000 3/54756 630.0 1.185 0.867 1.298 0.000 0.000 0.000 3/54756 640.0 1.166 0.853 1.279 0.000 0.000 0.000 3/54756 650.0 1.147 0.839 1.260 0.000 0.000 0.000 3/54756 660.0 1.130 0.826 1.242 0.000 0.000 0.000 3/54756 670.0 1.112 0.813 1.225 0.000 0.000 0.000 3/54756 680.0 1.095 0.801 1.208 0.000 0.000 0.000 3/54756 690.0 1.079 0.788 1.191 0.000 0.000 0.000 3/54756 700.0 1.063 0.777 1.175 0.000 0.000 0.000 3/54756 710.0 1.048 0.765 1.159 0.000 0.000 0.000 3/54756 720.0 1.033 0.754 1.144 0.000 0.000 0.000 3/54756 730.0 1.018 0.744 1.129 0.000 0.000 0.000 3/54756 740.0 1.004 0.733 1.114 0.000 0.000 0.000 3/54756 750.0 0.990 0.723 1.100 0.000 0.000 0.000 3/54756 760.0 0.977 0.713 1.086 0.000 0.000 0.000 3/54756 770.0 0.964 0.704 1.073 0.000 0.000 0.000 3/54756 780.0 0.951 0.694 1.059 0.000 0.000 0.000 3/54756 790.0 0.939 0.685 1.047 0.000 0.000 0.000 3/54756 800.0 0.927 0.676 1.034 0.000 0.000 0.000 3/54756 810.0 0.915 0.668 1.022 0.000 0.000 0.000 3/54756 820.0 0.904 0.659 1.010 0.000 0.000 0.000 3/54756 830.0 0.893 0.651 0.998 0.000 0.000 0.000 3/54756 840.0 0.882 0.643 0.987 0.000 0.000 0.000 3/54756 850.0 0.872 0.635 0.976 0.000 0.000 0.000 3/54756 860.0 0.861 0.628 0.965 0.000 0.000 0.000 3/54756 870.0 0.851 0.620 0.954 0.000 0.000 0.000 3/54756 880.0 0.841 0.613 0.944 0.000 0.000 0.000 3/54756 890.0 0.832 0.606 0.933 0.000 0.000 0.000 3/54756 900.0 0.822 0.599 0.923 0.000 0.000 0.000 3/54756 910.0 0.813 0.592 0.914 0.000 0.000 0.000 3/54756 920.0 0.804 0.586 0.904 0.000 0.000 0.000 3/54756 930.0 0.795 0.579 0.895 0.000 0.000 0.000 3/54756 940.0 0.787 0.573 0.885 0.000 0.000 0.000 3/54756 950.0 0.778 0.567 0.876 0.000 0.000 0.000 3/54756 960.0 0.770 0.561 0.868 0.000 0.000 0.000 3/54756 970.0 0.762 0.555 0.859 0.000 0.000 0.000 3/54756 980.0 0.754 0.549 0.850 0.000 0.000 0.000 3/54756 990.0 0.746 0.543 0.842 0.000 0.000 0.000 3/54756 1000.0 0.739 0.538 0.834 0.000 0.000 0.000 3/54756 Thermal conductivity related properties were written into "kappa-m13139.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:17:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|